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DNA-directed RNA polymerase III subunit RPC6

DNA-dependent RNA polymerase catalyzes the transcription of DNA into RNA using the four ribonucleoside triphosphates as substrates. Specific peripheric component of RNA polymerase III which synthesizes small RNAs, such as 5S rRNA and tRNAs.

AlphaFold DB , UniProt , Accession G4V8N6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 305 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
1M46.8Very low66.3Low207 Ų207110.6 Ų110.6100%1.0254%0.542SS*.  0-33.60-72.6-144.1-61.900114.9
2K49.4Very low67.4Low184 Ų184101.6 Ų101.680%0.850%0.498SS*.Hα-helixtrans-79-29.6175.2-74.5-175.9178.6179.30113.8S5 N6K2-S5 PolarHBondContact O-N 3.47Å; K2-N6 PolarHBondContact O-N 3.03Å
3E51.7Low67.9Low165 Ų16596.3 Ų96.377%0.77147%0.473SS*.Hα-helixtrans-67.7-41.5-179.8-80.7164.3145.800113S5 N6 C7E3-S5 VanDerWaalsContact C-N 3.27Å; E3-S5 PolarHBondContact O-N 3.06Å; E3-N6 PolarHBondContact O-N 3.43Å; E3-C7 PolarHBondContact O-N 3.3Å
4D61.8Low68.6Low111 Ų11195.5 Ų95.559%0.59447%0.472SS*.Hα-helixtrans-62.3-35.5177.8-60-42.7000112.3L8D4-L8 WeakPolarHBondContact O-CG 3.28Å; D4-L8 PolarHBondContact O-N 3.33Å; D4-L8 VanDerWaalsContact O-N 3.12Å
5S65.4Low69.3Low59 Ų5990.7 Ų90.741%0.41345%0.448SS..Hα-helixtrans-69.2-32.8178.8-172.90000113K2 E3 R9K2-S5 PolarHBondContact O-N 3.47Å; E3-S5 VanDerWaalsContact C-N 3.27Å; E3-S5 PolarHBondContact O-N 3.06Å; S5-R9 WeakPolarHBondContact O-CB 3.41Å; S5-R9 PolarHBondContact O-N 2.98Å; S5-R9 VanDerWaalsContact O-N 3.16Å
6N70.2Confident69.6Low91 Ų9185.3 Ų85.349%0.48742%0.422SS..Hα-helixtrans-75.1-40177.9-77.6-15.9000111.3K2 E3 L8 R9 E10K2-N6 PolarHBondContact O-N 3.03Å; E3-N6 PolarHBondContact O-N 3.43Å; N6-L8 VanDerWaalsContact C-N 3.34Å; N6-L8 PolarHBondContact O-N 3.47Å; N6-R9 WeakPolarHBondContact O-CB 3.49Å; N6-R9 PolarHBondContact O-N 3.39Å; N6-E10 PolarHBondContact O-N 3.12Å
7C75.7Confident69.9Low72 Ų7287.6 Ų87.649%0.48643%0.429SS..Hα-helixtrans-60.2-43.4174.7-176.10000111.7E3 R9 E10 R11E3-C7 PolarHBondContact O-N 3.3Å; C7-R9 PolarHBondContact O-N 2.96Å; C7-E10 PolarHBondContact O-N 3.07Å; C7-R11 WeakPolarHBondContact O-CG 3.37Å; C7-R11 PolarHBondContact O-N 3.12Å
8L75.7Confident70.1Confident31 Ų3188.5 Ų88.516%0.16245%0.445CS..Hα-helixtrans-63.4-40.6175.1-72.4169.9000112.5D4 N6 E10 R11 V12 V35 T39 I43D4-L8 WeakPolarHBondContact O-CG 3.28Å; D4-L8 PolarHBondContact O-N 3.33Å; D4-L8 VanDerWaalsContact O-N 3.12Å; N6-L8 VanDerWaalsContact C-N 3.34Å; N6-L8 PolarHBondContact O-N 3.47Å; L8-E10 PolarHBondContact O-N 3.32Å; L8-R11 PolarHBondContact O-N 3.33Å; L8-V12 WeakPolarHBondContact O-CG2 3.47Å; L8-V12 PolarHBondContact O-N 2.76Å; L8-V35 HydrophobicContact CD2-CG1 4.47Å; L8-V35 HydrophobicContact CD2-CG2 3.77Å; L8-T39 HydrophobicContact CD1-CG2 4.15Å; L8-I43 HydrophobicContact CB-CD1 3.85Å
9R77.5Confident69.9Low81 Ų8185.9 Ų85.931%0.30644%0.436SS..Hα-helixtrans-61-43176.5-177.7-178179.4173.31.9112S5 N6 C7 V12 L13 I43 L47 E50S5-R9 WeakPolarHBondContact O-CB 3.41Å; S5-R9 PolarHBondContact O-N 2.98Å; S5-R9 VanDerWaalsContact O-N 3.16Å; N6-R9 WeakPolarHBondContact O-CB 3.49Å; N6-R9 PolarHBondContact O-N 3.39Å; C7-R9 PolarHBondContact O-N 2.96Å; R9-V12 PolarHBondContact O-N 3.43Å; R9-L13 HydrophobicContact CG-CD1 4.31Å; R9-L13 WeakPolarHBondContact O-CG 3.33Å; R9-L13 PolarHBondContact O-N 3.22Å; R9-I43 HydrophobicContact CB-CG2 4.31Å; R9-I43 HydrophobicContact CG-CG2 4.38Å; R9-L47 HydrophobicContact CG-CD2 4.4Å; R9-E50 IonicContact CZ-OE1 2.68Å; R9-E50 IonicContact CZ-OE2 3.26Å; R9-E50 IonicContact NH1-OE1 3.68Å; R9-E50 IonicContact NH2-OE1 3.31Å; R9-E50 PolarHBondContact NH2-OE1 3.03Å; R9-E50 IonicContact NH2-OE2 2.97Å; R9-E50 PolarHBondContact NH2-OE2 3.19Å
10E77.4Confident69.6Low124 Ų12494.3 Ų94.358%0.57946%0.462SS*.Hα-helixtrans-66.5-41177.3-72.8-179.9-178.200112.1N6 C7 L8 V12 L13 N14N6-E10 PolarHBondContact O-N 3.12Å; C7-E10 PolarHBondContact O-N 3.07Å; L8-E10 PolarHBondContact O-N 3.32Å; E10-V12 VanDerWaalsContact C-N 3.34Å; E10-V12 PolarHBondContact O-N 3.47Å; E10-L13 PolarHBondContact O-N 3.37Å; E10-N14 WeakPolarHBondContact O-CB 3.48Å; E10-N14 VanDerWaalsContact O-CG 3.24Å; E10-N14 PolarHBondContact O-N 3.45Å; E10-N14 PolarHBondContact O-ND2 3.3Å
11R78Confident69.5Low92 Ų9291 Ų9135%0.34745%0.453SS..Hα-helixtrans-60.1-43.5174.2-72.3176.465.1-172.2-4.4111.9C7 L8 N14 L15 F32 D34C7-R11 WeakPolarHBondContact O-CG 3.37Å; C7-R11 PolarHBondContact O-N 3.12Å; L8-R11 PolarHBondContact O-N 3.33Å; R11-N14 PolarHBondContact O-N 3.39Å; R11-L15 PolarHBondContact O-N 3.18Å; R11-F32 HydrophobicContact CB-CE1 3.73Å; R11-F32 HydrophobicContact CB-CZ 4.02Å; R11-D34 IonicContact CZ-OD2 3.43Å; R11-D34 IonicContact NH1-OD2 3.51Å; R11-D34 PolarHBondContact NH1-OD2 3.44Å; R11-D34 IonicContact NH2-OD1 3.24Å; R11-D34 PolarHBondContact NH2-OD1 2.63Å; R11-D34 IonicContact NH2-OD2 2.64Å; R11-D34 PolarHBondContact NH2-OD2 2.95Å
12V78.9Confident70.7Confident2 Ų283.1 Ų83.11%0.01242%0.42CS..Hα-helixtrans-62.1-46.6176.4170.70000110.8L8 R9 E10 N14 L15 F16 F28 F32 L44 L47L8-V12 WeakPolarHBondContact O-CG2 3.47Å; L8-V12 PolarHBondContact O-N 2.76Å; R9-V12 PolarHBondContact O-N 3.43Å; E10-V12 VanDerWaalsContact C-N 3.34Å; E10-V12 PolarHBondContact O-N 3.47Å; V12-N14 VanDerWaalsContact C-N 3.32Å; V12-N14 PolarHBondContact O-N 3.15Å; V12-L15 WeakPolarHBondContact O-CB 2.95Å; V12-L15 PolarHBondContact O-N 3.12Å; V12-F16 HydrophobicContact CG1-CD2 3.94Å; V12-F16 HydrophobicContact CG1-CE2 3.68Å; V12-F16 WeakPolarHBondContact O-CD2 3.33Å; V12-F16 PolarHBondContact O-N 3.12Å; V12-F28 HydrophobicContact CG1-CE1 4.35Å; V12-F32 HydrophobicContact CG2-CE2 4.19Å; V12-F32 HydrophobicContact CG2-CZ 3.86Å; V12-L44 HydrophobicContact CG1-CD2 4.04Å; V12-L47 HydrophobicContact CG1-CD1 3.92Å
13L74.8Confident72Confident33 Ų3374.4 Ų74.417%0.17338%0.383CS..Hα-helixtrans-63-37177-74.1170.9000112.6R9 E10 F16 K17 L47 L67R9-L13 HydrophobicContact CG-CD1 4.31Å; R9-L13 WeakPolarHBondContact O-CG 3.33Å; R9-L13 PolarHBondContact O-N 3.22Å; E10-L13 PolarHBondContact O-N 3.37Å; L13-F16 PolarHBondContact O-N 3.41Å; L13-K17 WeakPolarHBondContact O-CG 3.43Å; L13-K17 PolarHBondContact O-N 3.29Å; L13-L47 HydrophobicContact CD2-CD1 4.3Å; L13-L47 HydrophobicContact CD2-CD2 4.07Å; L13-L47 HydrophobicContact CG-CD2 4.42Å; L13-L67 HydrophobicContact CD2-CD1 4.3Å
14N77.3Confident73.1Confident85 Ų8567.9 Ų67.946%0.45535%0.354SS..Hα-helixtrans-67.3-36.6175.8-73.2-21.4000111.9E10 R11 V12 F16 K17 S18E10-N14 WeakPolarHBondContact O-CB 3.48Å; E10-N14 VanDerWaalsContact O-CG 3.24Å; E10-N14 PolarHBondContact O-N 3.45Å; E10-N14 PolarHBondContact O-ND2 3.3Å; R11-N14 PolarHBondContact O-N 3.39Å; V12-N14 VanDerWaalsContact C-N 3.32Å; V12-N14 PolarHBondContact O-N 3.15Å; N14-F16 VanDerWaalsContact C-N 3.32Å; N14-F16 PolarHBondContact O-N 3.43Å; N14-K17 PolarHBondContact O-N 3.16Å; N14-S18 WeakPolarHBondContact O-CB 3.5Å; N14-S18 PolarHBondContact O-N 3.35Å; N14-S18 PolarHBondContact O-OG 3.1Å; N14-S18 VanDerWaalsContact O-OG 3.05Å
15L79.1Confident73.7Confident23 Ų2367.1 Ų67.112%0.1235%0.347CS..Hα-helixtrans-60.9-43.2173.9-176.664.3000111.5R11 V12 S18 S19 L23 F28 E31 F32R11-L15 PolarHBondContact O-N 3.18Å; V12-L15 WeakPolarHBondContact O-CB 2.95Å; V12-L15 PolarHBondContact O-N 3.12Å; L15-S18 PolarHBondContact O-N 2.58Å; L15-S19 WeakPolarHBondContact O-CB 3.27Å; L15-S19 PolarHBondContact O-N 2.71Å; L15-L23 HydrophobicContact CB-CD1 4.44Å; L15-L23 HydrophobicContact CD2-CD1 3.79Å; L15-L23 HydrophobicContact CG-CD1 3.67Å; L15-F28 HydrophobicContact CD2-CD1 4.03Å; L15-F28 HydrophobicContact CD2-CE1 3.99Å; L15-E31 HydrophobicContact CD1-CB 4.26Å; L15-E31 HydrophobicContact CD1-CG 3.72Å; L15-E31 HydrophobicContact CD2-CB 4.26Å; L15-E31 HydrophobicContact CD2-CG 4.44Å; L15-F32 HydrophobicContact CD2-CD2 4.44Å; L15-F32 HydrophobicContact CD2-CE2 3.72Å
16F74.7Confident74.1Confident5 Ų571.9 Ų71.92%0.02236%0.36CS..Hα-helixtrans-65.2-34.6174.5-82.3-66000113.7V12 L13 N14 L23 F28 L44 L53 W65 L67V12-F16 HydrophobicContact CG1-CD2 3.94Å; V12-F16 HydrophobicContact CG1-CE2 3.68Å; V12-F16 WeakPolarHBondContact O-CD2 3.33Å; V12-F16 PolarHBondContact O-N 3.12Å; L13-F16 PolarHBondContact O-N 3.41Å; N14-F16 VanDerWaalsContact C-N 3.32Å; N14-F16 PolarHBondContact O-N 3.43Å; F16-L23 HydrophobicContact CD1-CD1 3.51Å; F16-L23 HydrophobicContact CD1-CG 4.12Å; F16-L23 HydrophobicContact CD2-CD1 4.4Å; F16-L23 HydrophobicContact CE1-CB 4.09Å; F16-L23 HydrophobicContact CE1-CD1 3.59Å; F16-L23 HydrophobicContact CE1-CG 4.03Å; F16-L23 HydrophobicContact CE2-CD1 4.45Å; F16-L23 HydrophobicContact CG-CD1 3.94Å; F16-L23 HydrophobicContact CZ-CD1 4.07Å; F16-F28 HydrophobicContact CE1-CZ 4.45Å; F16-F28 HydrophobicContact CE2-CE1 4.31Å; F16-F28 AromaticContact CE2-CZ 3.95Å; F16-F28 HydrophobicContact CE2-CZ 3.95Å; F16-F28 HydrophobicContact CZ-CE1 4.44Å; F16-F28 AromaticContact CZ-CZ 3.65Å; F16-F28 HydrophobicContact CZ-CZ 3.65Å; F16-L44 HydrophobicContact CE2-CD2 3.87Å; F16-L44 HydrophobicContact CZ-CD2 4.04Å; F16-L53 HydrophobicContact CD1-CD2 3.98Å; F16-L53 HydrophobicContact CD2-CD2 3.81Å; F16-L53 HydrophobicContact CE1-CD2 3.66Å; F16-L53 HydrophobicContact CE2-CD1 3.78Å; F16-L53 HydrophobicContact CE2-CD2 3.5Å; F16-L53 VanDerWaalsContact CE2-CD2 3.5Å; F16-L53 HydrophobicContact CE2-CG 4.3Å; F16-L53 HydrophobicContact CG-CD2 4.05Å; F16-L53 HydrophobicContact CZ-CD1 3.88Å; F16-L53 HydrophobicContact CZ-CD2 3.4Å; F16-L53 VanDerWaalsContact CZ-CD2 3.4Å; F16-L53 HydrophobicContact CZ-CG 4.3Å; F16-W65 HydrophobicContact CE1-CB 3.83Å; F16-W65 WeakPolarHBondContact CE1-O 3.4Å; F16-W65 HydrophobicContact CZ-CB 3.61Å; F16-L67 HydrophobicContact CB-CB 4.02Å; F16-L67 HydrophobicContact CB-CD1 4.02Å; F16-L67 HydrophobicContact CB-CD2 4.25Å; F16-L67 HydrophobicContact CB-CG 4.32Å; F16-L67 HydrophobicContact CD1-CB 4.21Å; F16-L67 HydrophobicContact CG-CB 4.35Å; F16-L67 HydrophobicContact CG-CD1 4.37Å
17K73.6Confident74.3Confident125 Ų12571.7 Ų71.754%0.54336%0.357SS..Hα-helixtrans-71.1-36.2175-73175.6-178.8177.90112.2L13 N14 L67L13-K17 WeakPolarHBondContact O-CG 3.43Å; L13-K17 PolarHBondContact O-N 3.29Å; N14-K17 PolarHBondContact O-N 3.16Å; K17-L67 HydrophobicContact CG-CD2 4.31Å
18S74.3Confident74.2Confident103 Ų10368.4 Ų68.472%0.7233%0.334SS*.Hα-helixtrans-74-36.4179-63.60000112.4N14 L15N14-S18 WeakPolarHBondContact O-CB 3.5Å; N14-S18 PolarHBondContact O-N 3.35Å; N14-S18 PolarHBondContact O-OG 3.1Å; N14-S18 VanDerWaalsContact O-OG 3.05Å; L15-S18 PolarHBondContact O-N 2.58Å
19S66.3Low74.1Confident40 Ų4071.3 Ų71.328%0.2835%0.347SS..  trans-96.8102.8175.8-171.50000110.1L15 G21 L23L15-S19 WeakPolarHBondContact O-CB 3.27Å; L15-S19 PolarHBondContact O-N 2.71Å; S19-G21 PolarHBondContact O-N 3.34Å; S19-L23 WeakPolarHBondContact OG-CD2 3.34Å
20R63.4Low74Confident252 Ų25275.7 Ų75.795%0.95137%0.368SS*.SBendtrans-6719.7176.6-71.3-173.9175.1-172.9-1.7114.4
21G68Low73.7Confident27 Ų2775.2 Ų75.228%0.27837%0.366SS..SBendtrans-139.5179.8-173.800000113.4S19 L23S19-G21 PolarHBondContact O-N 3.34Å; G21-L23 PolarHBondContact O-N 3.45Å
22A71.6Confident73.5Confident40 Ų4071.3 Ų71.333%0.33135%0.351SS..PPolyproline II helixtrans-71.6126.3177.200000110.7L56 W65 Q66A22-L56 HydrophobicContact CB-CD1 3.89Å; A22-W65 CarbonylContact C-O 3.54Å; A22-W65 WeakPolarHBondContact CA-O 3.45Å; A22-Q66 HydrophobicContact CB-CB 4.31Å
23L76.1Confident73Confident2 Ų276.5 Ų76.51%0.0139%0.388CS..EExtended strand (participates in β ladder)trans-92123.7177.9-66.3178.7000110.1L15 F16 S19 G21 H27 F28 S64 W65L15-L23 HydrophobicContact CB-CD1 4.44Å; L15-L23 HydrophobicContact CD2-CD1 3.79Å; L15-L23 HydrophobicContact CG-CD1 3.67Å; F16-L23 HydrophobicContact CD1-CD1 3.51Å; F16-L23 HydrophobicContact CD1-CG 4.12Å; F16-L23 HydrophobicContact CD2-CD1 4.4Å; F16-L23 HydrophobicContact CE1-CB 4.09Å; F16-L23 HydrophobicContact CE1-CD1 3.59Å; F16-L23 HydrophobicContact CE1-CG 4.03Å; F16-L23 HydrophobicContact CE2-CD1 4.45Å; F16-L23 HydrophobicContact CG-CD1 3.94Å; F16-L23 HydrophobicContact CZ-CD1 4.07Å; S19-L23 WeakPolarHBondContact OG-CD2 3.34Å; G21-L23 PolarHBondContact O-N 3.45Å; L23-H27 HydrophobicContact CB-CB 4.46Å; L23-H27 HydrophobicContact CD2-CB 3.94Å; L23-F28 HydrophobicContact CB-CE2 3.87Å; L23-F28 HydrophobicContact CB-CZ 4.03Å; L23-F28 HydrophobicContact CD1-CE1 4.42Å; L23-F28 HydrophobicContact CD1-CZ 4.04Å; L23-S64 CarbonylContact O-C 3.47Å; L23-S64 VanDerWaalsContact O-CA 3.29Å; L23-S64 WeakPolarHBondContact O-CA 3.41Å; L23-W65 PolarHBondContact N-O 3.25Å; L23-W65 PolarHBondContact O-N 3.09Å
24T75.5Confident72.9Confident28 Ų2879.6 Ų79.617%0.17240%0.404CS..EExtended strand (participates in β ladder)trans-88.6165.4171.556.70000111.5K26 H27 F28 N58T24-K26 PolarHBondContact O-N 3.17Å; T24-K26 VanDerWaalsContact O-N 3.09Å; T24-H27 PolarHBondContact N-ND1 2.67Å; T24-H27 WeakPolarHBondContact O-CB 3.24Å; T24-H27 PolarHBondContact O-N 3.35Å; T24-H27 PolarHBondContact OG1-CE1 2.83Å; T24-H27 PolarHBondContact OG1-ND1 3.49Å; T24-F28 WeakPolarHBondContact O-CD2 3.36Å; T24-N58 WeakPolarHBondContact CG2-ND2 3.44Å
25Q75.1Confident72.6Confident95 Ų9576.9 Ų76.944%0.44439%0.391SS..Hα-helixtrans-49-37.8174.8-173.4180-30.100113.2H27 F28 E29 L37Q25-H27 VanDerWaalsContact C-N 3.25Å; Q25-H27 PolarHBondContact O-N 3.05Å; Q25-F28 WeakPolarHBondContact O-CB 3.35Å; Q25-F28 PolarHBondContact O-N 3.38Å; Q25-F28 VanDerWaalsContact O-N 3.1Å; Q25-E29 PolarHBondContact NE2-OE1 3.01Å; Q25-E29 PolarHBondContact O-N 3.34Å; Q25-L37 HydrophobicContact CG-CD1 4.23Å; Q25-L37 HydrophobicContact CG-CD2 4.27Å; Q25-L37 VanDerWaalsContact NE2-CD1 3.31Å
26K72.7Confident72.2Confident158 Ų15879 Ų7969%0.68741%0.407SS*.Hα-helixtrans-60.3-31.6177.1-64.6-176.7179.3177.30113.6T24 K30T24-K26 PolarHBondContact O-N 3.17Å; T24-K26 VanDerWaalsContact O-N 3.09Å; K26-K30 WeakPolarHBondContact O-CB 3.49Å; K26-K30 PolarHBondContact O-N 3.07Å; K26-K30 VanDerWaalsContact O-N 3.13Å
27H74.2Confident72Confident88 Ų8881.2 Ų81.241%0.40742%0.419SS..Hα-helixtrans-71.8-38.3177.1-67.379.6000110.9L23 T24 Q25 K30 E31L23-H27 HydrophobicContact CB-CB 4.46Å; L23-H27 HydrophobicContact CD2-CB 3.94Å; T24-H27 PolarHBondContact N-ND1 2.67Å; T24-H27 WeakPolarHBondContact O-CB 3.24Å; T24-H27 PolarHBondContact O-N 3.35Å; T24-H27 PolarHBondContact OG1-CE1 2.83Å; T24-H27 PolarHBondContact OG1-ND1 3.49Å; Q25-H27 VanDerWaalsContact C-N 3.25Å; Q25-H27 PolarHBondContact O-N 3.05Å; H27-K30 PolarHBondContact O-N 3.29Å; H27-E31 PolarHBondContact O-N 3.03Å; H27-E31 VanDerWaalsContact O-N 3.12Å
28F74Confident72Confident2 Ų280.2 Ų80.21%0.00942%0.424CS..Hα-helixtrans-66.5-42.4174-66.6-74.6000111.7V12 L15 F16 L23 T24 Q25 K30 F32 L37 I40 L44 W65V12-F28 HydrophobicContact CG1-CE1 4.35Å; L15-F28 HydrophobicContact CD2-CD1 4.03Å; L15-F28 HydrophobicContact CD2-CE1 3.99Å; F16-F28 HydrophobicContact CE1-CZ 4.45Å; F16-F28 HydrophobicContact CE2-CE1 4.31Å; F16-F28 AromaticContact CE2-CZ 3.95Å; F16-F28 HydrophobicContact CE2-CZ 3.95Å; F16-F28 HydrophobicContact CZ-CE1 4.44Å; F16-F28 AromaticContact CZ-CZ 3.65Å; F16-F28 HydrophobicContact CZ-CZ 3.65Å; L23-F28 HydrophobicContact CB-CE2 3.87Å; L23-F28 HydrophobicContact CB-CZ 4.03Å; L23-F28 HydrophobicContact CD1-CE1 4.42Å; L23-F28 HydrophobicContact CD1-CZ 4.04Å; T24-F28 WeakPolarHBondContact O-CD2 3.36Å; Q25-F28 WeakPolarHBondContact O-CB 3.35Å; Q25-F28 PolarHBondContact O-N 3.38Å; Q25-F28 VanDerWaalsContact O-N 3.1Å; F28-K30 VanDerWaalsContact C-N 3.26Å; F28-K30 PolarHBondContact O-N 2.89Å; F28-F32 HydrophobicContact CD1-CD2 4.06Å; F28-F32 AromaticContact CD1-CE2 3.98Å; F28-F32 HydrophobicContact CD1-CE2 3.98Å; F28-F32 WeakPolarHBondContact O-CA 3.07Å; F28-F32 WeakPolarHBondContact O-CB 3.39Å; F28-F32 PolarHBondContact O-N 2.92Å; F28-L37 HydrophobicContact CB-CD2 4.38Å; F28-I40 HydrophobicContact CD1-CG2 4.17Å; F28-L44 HydrophobicContact CE1-CD2 4.16Å; F28-L44 HydrophobicContact CE2-CD1 4.21Å; F28-L44 HydrophobicContact CZ-CD1 4.19Å; F28-L44 HydrophobicContact CZ-CD2 3.85Å; F28-W65 HydrophobicContact CD2-CE3 4.41Å; F28-W65 HydrophobicContact CD2-CZ3 4.46Å; F28-W65 HydrophobicContact CE2-CD2 4.48Å; F28-W65 AromaticContact CE2-CE3 3.74Å; F28-W65 HydrophobicContact CE2-CE3 3.74Å; F28-W65 HydrophobicContact CE2-CZ3 4.23Å
29E73.1Confident72.2Confident93 Ų9378.3 Ų78.344%0.43541%0.408SS..Hα-helixtrans-61.7-33.6176.4-71.4170.2-175.800112.7Q25 L37Q25-E29 PolarHBondContact NE2-OE1 3.01Å; Q25-E29 PolarHBondContact O-N 3.34Å; E29-L37 HydrophobicContact CG-CD1 3.99Å; E29-L37 HydrophobicContact CG-CD2 4.06Å; E29-L37 HydrophobicContact CG-CG 4.29Å; E29-L37 WeakPolarHBondContact OE1-CD1 3.48Å
30K76Confident72.8Confident172 Ų17276.7 Ų76.775%0.74840%0.396SS*.Hα-helixtrans-76.2-44.1-179.8-170.6-179.8178.6-173.40113K26 H27 F28K26-K30 WeakPolarHBondContact O-CB 3.49Å; K26-K30 PolarHBondContact O-N 3.07Å; K26-K30 VanDerWaalsContact O-N 3.13Å; H27-K30 PolarHBondContact O-N 3.29Å; F28-K30 VanDerWaalsContact C-N 3.26Å; F28-K30 PolarHBondContact O-N 2.89Å
31E72.2Confident73.5Confident115 Ų11568.2 Ų68.254%0.53737%0.369SS..Hα-helixtrans-84.8-30.1-175.7-75.7-74.1158.600113L15 H27L15-E31 HydrophobicContact CD1-CB 4.26Å; L15-E31 HydrophobicContact CD1-CG 3.72Å; L15-E31 HydrophobicContact CD2-CB 4.26Å; L15-E31 HydrophobicContact CD2-CG 4.44Å; H27-E31 PolarHBondContact O-N 3.03Å; H27-E31 VanDerWaalsContact O-N 3.12Å
32F73.7Confident74.1Confident10 Ų1070.5 Ų70.54%0.04438%0.379CS..  trans-110.855.6179.1-61.1-80.8000111.4R11 V12 L15 F28 D34 V35 I40R11-F32 HydrophobicContact CB-CE1 3.73Å; R11-F32 HydrophobicContact CB-CZ 4.02Å; V12-F32 HydrophobicContact CG2-CE2 4.19Å; V12-F32 HydrophobicContact CG2-CZ 3.86Å; L15-F32 HydrophobicContact CD2-CD2 4.44Å; L15-F32 HydrophobicContact CD2-CE2 3.72Å; F28-F32 HydrophobicContact CD1-CD2 4.06Å; F28-F32 AromaticContact CD1-CE2 3.98Å; F28-F32 HydrophobicContact CD1-CE2 3.98Å; F28-F32 WeakPolarHBondContact O-CA 3.07Å; F28-F32 WeakPolarHBondContact O-CB 3.39Å; F28-F32 PolarHBondContact O-N 2.92Å; F32-D34 WeakPolarHBondContact CA-OD1 3.42Å; F32-D34 PolarHBondContact O-N 3.39Å; F32-V35 HydrophobicContact CB-CB 4.46Å; F32-V35 PolarHBondContact O-N 2.95Å; F32-V35 VanDerWaalsContact O-O 3.14Å; F32-I40 HydrophobicContact CB-CD1 3.67Å; F32-I40 HydrophobicContact CD2-CD1 4.07Å; F32-I40 HydrophobicContact CG-CD1 3.92Å
33S68Low74.5Confident111 Ų11169.5 Ų69.578%0.77637%0.368SS*.THydrogen-bonded Turntrans-64.4-16.9173.555.90000113.2
34D71.3Confident74.6Confident97 Ų9769.5 Ų69.552%0.51937%0.368SS..THydrogen-bonded Turntrans-84.9-13.2178.557.2-33.6000114R11 F32R11-D34 IonicContact CZ-OD2 3.43Å; R11-D34 IonicContact NH1-OD2 3.51Å; R11-D34 PolarHBondContact NH1-OD2 3.44Å; R11-D34 IonicContact NH2-OD1 3.24Å; R11-D34 PolarHBondContact NH2-OD1 2.63Å; R11-D34 IonicContact NH2-OD2 2.64Å; R11-D34 PolarHBondContact NH2-OD2 2.95Å; F32-D34 WeakPolarHBondContact CA-OD1 3.42Å; F32-D34 PolarHBondContact O-N 3.39Å
35V71.6Confident74.8Confident29 Ų2971.9 Ų71.918%0.17638%0.38CS..SBendtrans-132.5128.5-170.8-172.50000111.5L8 F32 T39 I40L8-V35 HydrophobicContact CD2-CG1 4.47Å; L8-V35 HydrophobicContact CD2-CG2 3.77Å; F32-V35 HydrophobicContact CB-CB 4.46Å; F32-V35 PolarHBondContact O-N 2.95Å; F32-V35 VanDerWaalsContact O-O 3.14Å; V35-T39 HydrophobicContact CG1-CG2 4.27Å; V35-I40 HydrophobicContact CG1-CG1 4.17Å
36S70.6Confident75Confident66 Ų6669.4 Ų69.446%0.46238%0.376SS..  trans-61.6140174.565.40000112.1T38 T39S36-T38 WeakPolarHBondContact CB-OG1 3.36Å; S36-T38 PolarHBondContact O-N 2.83Å; S36-T38 PolarHBondContact OG-OG1 3.35Å; S36-T39 PolarHBondContact O-N 3.14Å; S36-T39 PolarHBondContact OG-OG1 3.44Å
37L71.7Confident75.2Confident52 Ų5261.9 Ų61.927%0.27234%0.343SS..Hα-helixtrans-53.3-29.4175.9-71.5171.5000113.1Q25 F28 E29 T39 I40 L41Q25-L37 HydrophobicContact CG-CD1 4.23Å; Q25-L37 HydrophobicContact CG-CD2 4.27Å; Q25-L37 VanDerWaalsContact NE2-CD1 3.31Å; F28-L37 HydrophobicContact CB-CD2 4.38Å; E29-L37 HydrophobicContact CG-CD1 3.99Å; E29-L37 HydrophobicContact CG-CD2 4.06Å; E29-L37 HydrophobicContact CG-CG 4.29Å; E29-L37 WeakPolarHBondContact OE1-CD1 3.48Å; L37-T39 PolarHBondContact O-N 3.15Å; L37-I40 PolarHBondContact O-N 2.91Å; L37-I40 VanDerWaalsContact O-N 3.12Å; L37-L41 WeakPolarHBondContact O-CG 3.27Å; L37-L41 PolarHBondContact O-N 3.45Å
38T73.4Confident75.2Confident105 Ų10561.7 Ų61.764%0.64434%0.342SS*.Hα-helixtrans-59.7-25.2175.736.70000113.9S36 P42S36-T38 WeakPolarHBondContact CB-OG1 3.36Å; S36-T38 PolarHBondContact O-N 2.83Å; S36-T38 PolarHBondContact OG-OG1 3.35Å; T38-P42 WeakPolarHBondContact O-CD 3.39Å; T38-P42 WeakPolarHBondContact O-CG 3.4Å
39T78.1Confident75.2Confident63 Ų6370.5 Ų70.539%0.38738%0.38SS..Hα-helixtrans-88.9-29.7175.6-47.40000112L8 V35 S36 L37 P42L8-T39 HydrophobicContact CD1-CG2 4.15Å; V35-T39 HydrophobicContact CG1-CG2 4.27Å; S36-T39 PolarHBondContact O-N 3.14Å; S36-T39 PolarHBondContact OG-OG1 3.44Å; L37-T39 PolarHBondContact O-N 3.15Å; T39-P42 WeakPolarHBondContact O-CD 3.33Å
40I77.9Confident75.2Confident5 Ų570.1 Ų70.13%0.02638%0.379CS..Hα-helixtrans-78.3-40.4-178-59174.3000111.3F28 F32 V35 L37 I43 L44F28-I40 HydrophobicContact CD1-CG2 4.17Å; F32-I40 HydrophobicContact CB-CD1 3.67Å; F32-I40 HydrophobicContact CD2-CD1 4.07Å; F32-I40 HydrophobicContact CG-CD1 3.92Å; V35-I40 HydrophobicContact CG1-CG1 4.17Å; L37-I40 PolarHBondContact O-N 2.91Å; L37-I40 VanDerWaalsContact O-N 3.12Å; I40-I43 WeakPolarHBondContact O-CA 3.32Å; I40-I43 WeakPolarHBondContact O-CB 3.31Å; I40-I43 PolarHBondContact O-N 2.85Å; I40-L44 HydrophobicContact CG2-CD1 3.88Å; I40-L44 HydrophobicContact CG2-CG 4.02Å; I40-L44 PolarHBondContact O-N 3.12Å
41L78Confident74.6Confident75 Ų7562.4 Ų62.439%0.39335%0.348SS..Hα-helixtrans-57.1-43.8-178.3-71.9171.2000113.6L37 I43 L44 N45 W65L37-L41 WeakPolarHBondContact O-CG 3.27Å; L37-L41 PolarHBondContact O-N 3.45Å; L41-I43 VanDerWaalsContact C-N 3.29Å; L41-I43 PolarHBondContact O-N 3.42Å; L41-L44 PolarHBondContact O-N 2.95Å; L41-N45 WeakPolarHBondContact O-CB 3.5Å; L41-N45 VanDerWaalsContact O-CG 3.23Å; L41-N45 PolarHBondContact O-N 3.37Å; L41-N45 PolarHBondContact O-ND2 3.4Å; L41-N45 VanDerWaalsContact O-ND2 3.17Å; L41-W65 HydrophobicContact CD2-CH2 4.41Å; L41-W65 HydrophobicContact CD2-CZ2 4.44Å
42P82.1Confident74.3Confident75 Ų7559.1 Ų59.149%0.48733%0.333SS..Hα-helixtrans-59.2-36.5172.5-25.934.5000113.7T38 T39 A46T38-P42 WeakPolarHBondContact O-CD 3.39Å; T38-P42 WeakPolarHBondContact O-CG 3.4Å; T39-P42 WeakPolarHBondContact O-CD 3.33Å; P42-A46 WeakPolarHBondContact O-CB 3.41Å; P42-A46 PolarHBondContact O-N 2.94Å
43I79.1Confident74.1Confident18 Ų1858.9 Ų58.99%0.09233%0.332CS..Hα-helixtrans-70.1-45.1178-60.4173000110L8 R9 I40 L41 N45 A46 L47L8-I43 HydrophobicContact CB-CD1 3.85Å; R9-I43 HydrophobicContact CB-CG2 4.31Å; R9-I43 HydrophobicContact CG-CG2 4.38Å; I40-I43 WeakPolarHBondContact O-CA 3.32Å; I40-I43 WeakPolarHBondContact O-CB 3.31Å; I40-I43 PolarHBondContact O-N 2.85Å; L41-I43 VanDerWaalsContact C-N 3.29Å; L41-I43 PolarHBondContact O-N 3.42Å; I43-N45 VanDerWaalsContact C-N 3.33Å; I43-N45 PolarHBondContact O-N 3.19Å; I43-A46 WeakPolarHBondContact O-CB 3.46Å; I43-A46 PolarHBondContact O-N 3.47Å; I43-A46 VanDerWaalsContact O-N 3.15Å; I43-L47 HydrophobicContact CG2-CD1 4.09Å; I43-L47 HydrophobicContact CG2-CG 4.38Å; I43-L47 WeakPolarHBondContact O-CB 3.49Å; I43-L47 WeakPolarHBondContact O-CG 3.34Å; I43-L47 PolarHBondContact O-N 2.97Å
44L77.7Confident74.1Confident2 Ų255.3 Ų55.31%0.0130%0.304CS..Hα-helixtrans-60.1-43.7174.8-69173.8000111.3V12 F16 F28 I40 L41 A46 L47 Q48 L53 W65V12-L44 HydrophobicContact CG1-CD2 4.04Å; F16-L44 HydrophobicContact CE2-CD2 3.87Å; F16-L44 HydrophobicContact CZ-CD2 4.04Å; F28-L44 HydrophobicContact CE1-CD2 4.16Å; F28-L44 HydrophobicContact CE2-CD1 4.21Å; F28-L44 HydrophobicContact CZ-CD1 4.19Å; F28-L44 HydrophobicContact CZ-CD2 3.85Å; I40-L44 HydrophobicContact CG2-CD1 3.88Å; I40-L44 HydrophobicContact CG2-CG 4.02Å; I40-L44 PolarHBondContact O-N 3.12Å; L41-L44 PolarHBondContact O-N 2.95Å; L44-A46 VanDerWaalsContact C-N 3.32Å; L44-A46 PolarHBondContact O-N 2.87Å; L44-L47 PolarHBondContact O-N 3.16Å; L44-Q48 VanDerWaalsContact O-CB 3.27Å; L44-Q48 WeakPolarHBondContact O-CB 3.24Å; L44-Q48 PolarHBondContact O-N 2.97Å; L44-L53 HydrophobicContact CD2-CD1 3.66Å; L44-W65 HydrophobicContact CD1-CD2 4.14Å; L44-W65 HydrophobicContact CD1-CE3 4.35Å; L44-W65 HydrophobicContact CD1-CH2 4.33Å; L44-W65 HydrophobicContact CD1-CZ2 4.12Å; L44-W65 HydrophobicContact CD1-CZ3 4.44Å
45N79.8Confident74.2Confident78 Ų7853 Ų5342%0.41729%0.294SS..Hα-helixtrans-63.4-36.5175-73.6-31000112.2L41 I43 K49L41-N45 WeakPolarHBondContact O-CB 3.5Å; L41-N45 VanDerWaalsContact O-CG 3.23Å; L41-N45 PolarHBondContact O-N 3.37Å; L41-N45 PolarHBondContact O-ND2 3.4Å; L41-N45 VanDerWaalsContact O-ND2 3.17Å; I43-N45 VanDerWaalsContact C-N 3.33Å; I43-N45 PolarHBondContact O-N 3.19Å; N45-K49 WeakPolarHBondContact O-CB 3.49Å; N45-K49 VanDerWaalsContact O-CG 3.28Å; N45-K49 WeakPolarHBondContact O-CG 3.32Å; N45-K49 PolarHBondContact O-N 3.16Å
46A80.2Confident74.1Confident44 Ų4454.9 Ų54.936%0.36430%0.302SS..Hα-helixtrans-67.9-46.9174.800000111.5P42 I43 L44 Q48 K49 E50P42-A46 WeakPolarHBondContact O-CB 3.41Å; P42-A46 PolarHBondContact O-N 2.94Å; I43-A46 WeakPolarHBondContact O-CB 3.46Å; I43-A46 PolarHBondContact O-N 3.47Å; I43-A46 VanDerWaalsContact O-N 3.15Å; L44-A46 VanDerWaalsContact C-N 3.32Å; L44-A46 PolarHBondContact O-N 2.87Å; A46-Q48 VanDerWaalsContact C-N 3.29Å; A46-Q48 PolarHBondContact O-N 3.4Å; A46-K49 WeakPolarHBondContact O-CB 3.46Å; A46-K49 PolarHBondContact O-N 3.49Å; A46-K49 VanDerWaalsContact O-N 3.14Å; A46-E50 WeakPolarHBondContact O-CG 3.39Å; A46-E50 PolarHBondContact O-N 3.45Å
47L76.2Confident74.2Confident0 Ų057 Ų570%031%0.312CS..Hα-helixtrans-62.6-36.1176.3-70.1173.8000112.1R9 V12 L13 I43 L44 E50 G51 M52 L53R9-L47 HydrophobicContact CG-CD2 4.4Å; V12-L47 HydrophobicContact CG1-CD1 3.92Å; L13-L47 HydrophobicContact CD2-CD1 4.3Å; L13-L47 HydrophobicContact CD2-CD2 4.07Å; L13-L47 HydrophobicContact CG-CD2 4.42Å; I43-L47 HydrophobicContact CG2-CD1 4.09Å; I43-L47 HydrophobicContact CG2-CG 4.38Å; I43-L47 WeakPolarHBondContact O-CB 3.49Å; I43-L47 WeakPolarHBondContact O-CG 3.34Å; I43-L47 PolarHBondContact O-N 2.97Å; L44-L47 PolarHBondContact O-N 3.16Å; L47-E50 PolarHBondContact O-N 3.18Å; L47-G51 PolarHBondContact O-N 2.89Å; L47-M52 HydrophobicContact CD2-CE 3.74Å; L47-M52 PolarHBondContact O-N 3.31Å; L47-L53 HydrophobicContact CB-CD1 3.51Å; L47-L53 HydrophobicContact CB-CG 3.89Å; L47-L53 HydrophobicContact CD1-CD1 3.87Å; L47-L53 HydrophobicContact CG-CD1 4.36Å
48Q75.5Confident74.1Confident83 Ų8356.8 Ų56.839%0.38831%0.311SS..Hα-helixtrans-65.8-45.1172.1-175.8-173.8-0.400111.3L44 A46 E50 G51 V55L44-Q48 VanDerWaalsContact O-CB 3.27Å; L44-Q48 WeakPolarHBondContact O-CB 3.24Å; L44-Q48 PolarHBondContact O-N 2.97Å; A46-Q48 VanDerWaalsContact C-N 3.29Å; A46-Q48 PolarHBondContact O-N 3.4Å; Q48-E50 VanDerWaalsContact C-N 3.28Å; Q48-E50 PolarHBondContact O-N 2.6Å; Q48-G51 WeakPolarHBondContact O-CA 3.47Å; Q48-G51 PolarHBondContact O-N 2.93Å; Q48-V55 HydrophobicContact CG-CG2 4.04Å
49K73.3Confident73.9Confident187 Ų18759.2 Ų59.281%0.81333%0.326SS*.Hα-helixtrans-63.4-33.2175.9-78.9178.6-179.4-176.80112.8N45 A46 G51N45-K49 WeakPolarHBondContact O-CB 3.49Å; N45-K49 VanDerWaalsContact O-CG 3.28Å; N45-K49 WeakPolarHBondContact O-CG 3.32Å; N45-K49 PolarHBondContact O-N 3.16Å; A46-K49 WeakPolarHBondContact O-CB 3.46Å; A46-K49 PolarHBondContact O-N 3.49Å; A46-K49 VanDerWaalsContact O-N 3.14Å; K49-G51 PolarHBondContact O-N 3.2Å
50E72.3Confident73.7Confident86 Ų8661 Ų6140%0.40233%0.333SS..THydrogen-bonded Turntrans-75.3-7.9172.7-70.5175.3168.600113.2R9 A46 L47 Q48 M52R9-E50 IonicContact CZ-OE1 2.68Å; R9-E50 IonicContact CZ-OE2 3.26Å; R9-E50 IonicContact NH1-OE1 3.68Å; R9-E50 IonicContact NH2-OE1 3.31Å; R9-E50 PolarHBondContact NH2-OE1 3.03Å; R9-E50 IonicContact NH2-OE2 2.97Å; R9-E50 PolarHBondContact NH2-OE2 3.19Å; A46-E50 WeakPolarHBondContact O-CG 3.39Å; A46-E50 PolarHBondContact O-N 3.45Å; L47-E50 PolarHBondContact O-N 3.18Å; Q48-E50 VanDerWaalsContact C-N 3.28Å; Q48-E50 PolarHBondContact O-N 2.6Å; E50-M52 VanDerWaalsContact OE2-CE 3.24Å; E50-M52 WeakPolarHBondContact OE2-CE 3.34Å
51G63.8Low73.3Confident9 Ų971.5 Ų71.59%0.09337%0.373CS..THydrogen-bonded Turntrans78.618.7177.200000114.7L47 Q48 K49 R68L47-G51 PolarHBondContact O-N 2.89Å; Q48-G51 WeakPolarHBondContact O-CA 3.47Å; Q48-G51 PolarHBondContact O-N 2.93Å; K49-G51 PolarHBondContact O-N 3.2Å; G51-R68 WeakPolarHBondContact O-CD 3.36Å
52M66.2Low73.2Confident46 Ų4670.5 Ų70.523%0.22737%0.37CS..  trans-89.6-17.8178.6-67.2-151.4-94.200113.8L47 E50 R68L47-M52 HydrophobicContact CD2-CE 3.74Å; L47-M52 PolarHBondContact O-N 3.31Å; E50-M52 VanDerWaalsContact OE2-CE 3.24Å; E50-M52 WeakPolarHBondContact OE2-CE 3.34Å; M52-R68 WeakPolarHBondContact O-CB 3.2Å; M52-R68 PolarHBondContact O-N 3.43Å
53L69.3Low72.9Confident5 Ų570.7 Ų70.73%0.02637%0.366CS..EExtended strand (participates in β ladder)trans-123.1134.6-179.6-64.6177000111.4F16 L44 L47 Q66 L67F16-L53 HydrophobicContact CD1-CD2 3.98Å; F16-L53 HydrophobicContact CD2-CD2 3.81Å; F16-L53 HydrophobicContact CE1-CD2 3.66Å; F16-L53 HydrophobicContact CE2-CD1 3.78Å; F16-L53 HydrophobicContact CE2-CD2 3.5Å; F16-L53 VanDerWaalsContact CE2-CD2 3.5Å; F16-L53 HydrophobicContact CE2-CG 4.3Å; F16-L53 HydrophobicContact CG-CD2 4.05Å; F16-L53 HydrophobicContact CZ-CD1 3.88Å; F16-L53 HydrophobicContact CZ-CD2 3.4Å; F16-L53 VanDerWaalsContact CZ-CD2 3.4Å; F16-L53 HydrophobicContact CZ-CG 4.3Å; L44-L53 HydrophobicContact CD2-CD1 3.66Å; L47-L53 HydrophobicContact CB-CD1 3.51Å; L47-L53 HydrophobicContact CB-CG 3.89Å; L47-L53 HydrophobicContact CD1-CD1 3.87Å; L47-L53 HydrophobicContact CG-CD1 4.36Å; L53-Q66 WeakPolarHBondContact CA-O 3.46Å; L53-L67 HydrophobicContact CD2-CD1 4.03Å
54D67.7Low72.7Confident36 Ų3669.9 Ų69.919%0.19336%0.362CS..EExtended strand (participates in β ladder)trans-93.7135.6165.2-76.7-47.8000109.5W65 Q66 R68D54-W65 CarbonylContact O-C 3.5Å; D54-W65 VanDerWaalsContact O-CA 3.31Å; D54-W65 WeakPolarHBondContact O-CA 3.48Å; D54-Q66 PolarHBondContact N-O 2.87Å; D54-Q66 PolarHBondContact O-N 3.27Å; D54-R68 IonicContact OD1-CZ 2.71Å; D54-R68 VanDerWaalsContact OD1-CZ 3.31Å; D54-R68 IonicContact OD1-NE 2.6Å; D54-R68 PolarHBondContact OD1-NE 3.39Å; D54-R68 IonicContact OD1-NH2 3.43Å; D54-R68 PolarHBondContact OD1-NH2 3.3Å; D54-R68 IonicContact OD2-CZ 3.62Å; D54-R68 IonicContact OD2-NE 2.76Å; D54-R68 PolarHBondContact OD2-NE 2.92Å; D54-R68 IonicContact OD2-NH2 2.76Å
55V74Confident72.7Confident49 Ų4970.4 Ų70.430%0.29736%0.364SS..EExtended strand (participates in β ladder)trans-101.7114.8176.2-174.10000108.1Q48 L63Q48-V55 HydrophobicContact CG-CG2 4.04Å; V55-L63 HydrophobicContact CG1-CB 4.41Å; V55-L63 HydrophobicContact CG1-CD2 3.97Å
56L68.3Low72.3Confident69 Ų6970.5 Ų70.536%0.36136%0.362SS..EExtended strand (participates in β ladder)trans-100.4136.9177.5-66.2163.8000108.7A22 L63 S64 Q66A22-L56 HydrophobicContact CB-CD1 3.89Å; L56-L63 WeakPolarHBondContact O-CA 3.34Å; L56-S64 VanDerWaalsContact CB-OG 3.26Å; L56-S64 WeakPolarHBondContact CB-OG 3.44Å; L56-S64 PolarHBondContact N-O 3.17Å; L56-S64 PolarHBondContact O-N 3.37Å; L56-Q66 HydrophobicContact CD1-CB 4.07Å
57V72.9Confident71.7Confident109 Ų10971 Ų7166%0.66136%0.358SS*.EExtended strand (participates in β ladder)trans-98.3113.4172.1-175.40000107.2L63V57-L63 HydrophobicContact CG2-CD2 3.91Å
58N70.5Confident71.2Confident48 Ų4871.7 Ų71.726%0.25736%0.361SS..  trans-72.3162178.4-67.4-22.2000110.9T24 D60 R61 T62 S64T24-N58 WeakPolarHBondContact CG2-ND2 3.44Å; N58-D60 WeakPolarHBondContact CB-OD1 3.49Å; N58-D60 PolarHBondContact O-N 3.38Å; N58-D60 VanDerWaalsContact O-N 3.16Å; N58-R61 WeakPolarHBondContact O-CA 3.46Å; N58-R61 PolarHBondContact O-N 3.49Å; N58-T62 WeakPolarHBondContact CB-O 3.39Å; N58-T62 PolarHBondContact N-O 2.93Å; N58-T62 PolarHBondContact ND2-OG1 2.92Å; N58-S64 PolarHBondContact OD1-OG 2.96Å
59T70Confident70.5Confident157 Ų15772.9 Ų72.996%0.96337%0.37SS*.THydrogen-bonded Turntrans-59.2-26.1177.649.80000113.4R61T59-R61 PolarHBondContact O-N 3.38Å
60D73.7Confident69.6Low99 Ų9970.4 Ų70.453%0.52936%0.361SS..THydrogen-bonded Turntrans-83.48.9175.868.1-5.3000113.8N58 T62N58-D60 WeakPolarHBondContact CB-OD1 3.49Å; N58-D60 PolarHBondContact O-N 3.38Å; N58-D60 VanDerWaalsContact O-N 3.16Å; D60-T62 PolarHBondContact O-N 3.49Å; D60-T62 VanDerWaalsContact OD1-CB 3.28Å; D60-T62 WeakPolarHBondContact OD1-CB 3.21Å; D60-T62 WeakPolarHBondContact OD1-CG2 3.43Å; D60-T62 PolarHBondContact OD1-N 3.07Å; D60-T62 PolarHBondContact OD1-OG1 3.01Å; D60-T62 WeakPolarHBondContact OD2-CG2 3.42Å; D60-T62 PolarHBondContact OD2-OG1 3.37Å; D60-T62 VanDerWaalsContact OD2-OG1 3.14Å
61R69.3Low68.8Low227 Ų22771 Ų7186%0.85737%0.367SS*.SBendtrans64.110.6-173.3-52.7-177.1177.9-172.9-0.5114.7N58 T59N58-R61 WeakPolarHBondContact O-CA 3.46Å; N58-R61 PolarHBondContact O-N 3.49Å; T59-R61 PolarHBondContact O-N 3.38Å
62T75.5Confident68.3Low53 Ų5371.2 Ų71.233%0.32537%0.367SS..  trans-79.3150.2170.7670000110.5N58 D60N58-T62 WeakPolarHBondContact CB-O 3.39Å; N58-T62 PolarHBondContact N-O 2.93Å; N58-T62 PolarHBondContact ND2-OG1 2.92Å; D60-T62 PolarHBondContact O-N 3.49Å; D60-T62 VanDerWaalsContact OD1-CB 3.28Å; D60-T62 WeakPolarHBondContact OD1-CB 3.21Å; D60-T62 WeakPolarHBondContact OD1-CG2 3.43Å; D60-T62 PolarHBondContact OD1-N 3.07Å; D60-T62 PolarHBondContact OD1-OG1 3.01Å; D60-T62 WeakPolarHBondContact OD2-CG2 3.42Å; D60-T62 PolarHBondContact OD2-OG1 3.37Å; D60-T62 VanDerWaalsContact OD2-OG1 3.14Å
63L75.8Confident67.7Low79 Ų7969.8 Ų69.841%0.41436%0.361SS..EExtended strand (participates in β ladder)trans-85.8133.9172.2-60.6177.5000109.1V55 L56 V57 W65V55-L63 HydrophobicContact CG1-CB 4.41Å; V55-L63 HydrophobicContact CG1-CD2 3.97Å; L56-L63 WeakPolarHBondContact O-CA 3.34Å; V57-L63 HydrophobicContact CG2-CD2 3.91Å; L63-W65 HydrophobicContact CB-CH2 3.96Å; L63-W65 HydrophobicContact CB-CZ2 4.16Å; L63-W65 HydrophobicContact CB-CZ3 4.27Å; L63-W65 HydrophobicContact CD1-CZ2 4.29Å
64S74.9Confident67Low1 Ų176.2 Ų76.21%0.00739%0.391CS..EExtended strand (participates in β ladder)trans-117143.9164.459.40000109.5L23 L56 N58L23-S64 CarbonylContact O-C 3.47Å; L23-S64 VanDerWaalsContact O-CA 3.29Å; L23-S64 WeakPolarHBondContact O-CA 3.41Å; L56-S64 VanDerWaalsContact CB-OG 3.26Å; L56-S64 WeakPolarHBondContact CB-OG 3.44Å; L56-S64 PolarHBondContact N-O 3.17Å; L56-S64 PolarHBondContact O-N 3.37Å; N58-S64 PolarHBondContact OD1-OG 2.96Å
65W76.9Confident66.6Low14 Ų1477.1 Ų77.15%0.05339%0.393CS..EExtended strand (participates in β ladder)trans-110.4138.9176.6-66.9-94.5000108.4F16 A22 L23 F28 L41 L44 D54 L63F16-W65 HydrophobicContact CE1-CB 3.83Å; F16-W65 WeakPolarHBondContact CE1-O 3.4Å; F16-W65 HydrophobicContact CZ-CB 3.61Å; A22-W65 CarbonylContact C-O 3.54Å; A22-W65 WeakPolarHBondContact CA-O 3.45Å; L23-W65 PolarHBondContact N-O 3.25Å; L23-W65 PolarHBondContact O-N 3.09Å; F28-W65 HydrophobicContact CD2-CE3 4.41Å; F28-W65 HydrophobicContact CD2-CZ3 4.46Å; F28-W65 HydrophobicContact CE2-CD2 4.48Å; F28-W65 AromaticContact CE2-CE3 3.74Å; F28-W65 HydrophobicContact CE2-CE3 3.74Å; F28-W65 HydrophobicContact CE2-CZ3 4.23Å; L41-W65 HydrophobicContact CD2-CH2 4.41Å; L41-W65 HydrophobicContact CD2-CZ2 4.44Å; L44-W65 HydrophobicContact CD1-CD2 4.14Å; L44-W65 HydrophobicContact CD1-CE3 4.35Å; L44-W65 HydrophobicContact CD1-CH2 4.33Å; L44-W65 HydrophobicContact CD1-CZ2 4.12Å; L44-W65 HydrophobicContact CD1-CZ3 4.44Å; D54-W65 CarbonylContact O-C 3.5Å; D54-W65 VanDerWaalsContact O-CA 3.31Å; D54-W65 WeakPolarHBondContact O-CA 3.48Å; L63-W65 HydrophobicContact CB-CH2 3.96Å; L63-W65 HydrophobicContact CB-CZ2 4.16Å; L63-W65 HydrophobicContact CB-CZ3 4.27Å; L63-W65 HydrophobicContact CD1-CZ2 4.29Å
66Q72Confident65.8Low79 Ų7975.7 Ų75.737%0.36938%0.384SS..EExtended strand (participates in β ladder)trans-126.8140175.4-170.4175.610.400109.8A22 L53 D54 L56 R68A22-Q66 HydrophobicContact CB-CB 4.31Å; L53-Q66 WeakPolarHBondContact CA-O 3.46Å; D54-Q66 PolarHBondContact N-O 2.87Å; D54-Q66 PolarHBondContact O-N 3.27Å; L56-Q66 HydrophobicContact CD1-CB 4.07Å; Q66-R68 PolarHBondContact O-N 3.28Å
67L67.6Low65.3Low55 Ų5579.5 Ų79.529%0.28840%0.397SS..EExtended strand (participates in β ladder)trans-67.8126.2173.5-164.169.9000109.5L13 F16 K17 L53L13-L67 HydrophobicContact CD2-CD1 4.3Å; F16-L67 HydrophobicContact CB-CB 4.02Å; F16-L67 HydrophobicContact CB-CD1 4.02Å; F16-L67 HydrophobicContact CB-CD2 4.25Å; F16-L67 HydrophobicContact CB-CG 4.32Å; F16-L67 HydrophobicContact CD1-CB 4.21Å; F16-L67 HydrophobicContact CG-CB 4.35Å; F16-L67 HydrophobicContact CG-CD1 4.37Å; K17-L67 HydrophobicContact CG-CD2 4.31Å; L53-L67 HydrophobicContact CD2-CD1 4.03Å
68R65.3Low64.7Low15 Ų1577.7 Ų77.76%0.05739%0.39CS..PPolyproline II helixtrans-75.8132.6174.9-171.6176.2-81.9-167.7-10.1109.2G51 M52 D54 Q66 Q70 T73 N89 R92G51-R68 WeakPolarHBondContact O-CD 3.36Å; M52-R68 WeakPolarHBondContact O-CB 3.2Å; M52-R68 PolarHBondContact O-N 3.43Å; D54-R68 IonicContact OD1-CZ 2.71Å; D54-R68 VanDerWaalsContact OD1-CZ 3.31Å; D54-R68 IonicContact OD1-NE 2.6Å; D54-R68 PolarHBondContact OD1-NE 3.39Å; D54-R68 IonicContact OD1-NH2 3.43Å; D54-R68 PolarHBondContact OD1-NH2 3.3Å; D54-R68 IonicContact OD2-CZ 3.62Å; D54-R68 IonicContact OD2-NE 2.76Å; D54-R68 PolarHBondContact OD2-NE 2.92Å; D54-R68 IonicContact OD2-NH2 2.76Å; Q66-R68 PolarHBondContact O-N 3.28Å; R68-Q70 PolarHBondContact O-N 2.93Å; R68-T73 HydrophobicContact CB-CG2 4.21Å; R68-T73 HydrophobicContact CG-CG2 4.2Å; R68-N89 PolarHBondContact NH2-OD1 3.48Å; R68-R92 VanDerWaalsContact CD-NH1 3.31Å; R68-R92 VanDerWaalsContact CG-NH1 3.27Å
69D61.6Low64.4Low107 Ų10775.5 Ų75.557%0.57238%0.378SS*.PPolyproline II helixtrans-54.7138.1179.4-155.3-6.1000111.6D71 S72 T73D69-D71 VanDerWaalsContact C-N 3.27Å; D69-D71 PolarHBondContact O-N 3.14Å; D69-S72 WeakPolarHBondContact O-CA 3.39Å; D69-S72 WeakPolarHBondContact O-CB 3.37Å; D69-S72 PolarHBondContact O-N 3.27Å; D69-T73 PolarHBondContact O-N 3.22Å
70Q54.4Low64.1Low135 Ų13573.3 Ų73.363%0.63137%0.369SS*.Hα-helixtrans-60.3-37.3-167.8-72.5-172.8-12.600112R68 S72 T73 E74R68-Q70 PolarHBondContact O-N 2.93Å; Q70-S72 PolarHBondContact O-N 3.12Å; Q70-T73 PolarHBondContact O-N 2.97Å; Q70-T73 PolarHBondContact O-OG1 2.98Å; Q70-E74 PolarHBondContact O-N 2.93Å
71D54.4Low64.2Low100 Ų10071.9 Ų71.954%0.53536%0.361SS..Hα-helixtrans-60.5-32.8174.8-74.8-22.4000112.7D69 T73 K75D69-D71 VanDerWaalsContact C-N 3.27Å; D69-D71 PolarHBondContact O-N 3.14Å; D71-T73 VanDerWaalsContact C-N 3.32Å; D71-K75 WeakPolarHBondContact O-CB 3.4Å; D71-K75 WeakPolarHBondContact O-CD 3.42Å; D71-K75 VanDerWaalsContact O-CG 3.25Å; D71-K75 WeakPolarHBondContact O-CG 3.38Å; D71-K75 PolarHBondContact O-N 3.25Å
72S54Low64.6Low13 Ų1366.2 Ų66.29%0.09135%0.347CS..Hα-helixtrans-72.7-28.3176.8-58.10000112.2D69 Q70 L76 R92D69-S72 WeakPolarHBondContact O-CA 3.39Å; D69-S72 WeakPolarHBondContact O-CB 3.37Å; D69-S72 PolarHBondContact O-N 3.27Å; Q70-S72 PolarHBondContact O-N 3.12Å; S72-L76 WeakPolarHBondContact O-CB 3.41Å; S72-L76 PolarHBondContact O-N 3.35Å; S72-R92 PolarHBondContact OG-NH1 2.99Å; S72-R92 PolarHBondContact OG-NH2 3.33Å
73T52.9Low64.8Low16 Ų1666 Ų6610%0.09834%0.342CS..Hα-helixtrans-76.4-36.5-179.866.50000112.1R68 D69 Q70 D71 L76 K77R68-T73 HydrophobicContact CB-CG2 4.21Å; R68-T73 HydrophobicContact CG-CG2 4.2Å; D69-T73 PolarHBondContact O-N 3.22Å; Q70-T73 PolarHBondContact O-N 2.97Å; Q70-T73 PolarHBondContact O-OG1 2.98Å; D71-T73 VanDerWaalsContact C-N 3.32Å; T73-L76 PolarHBondContact O-N 2.86Å; T73-K77 WeakPolarHBondContact O-CB 3.4Å; T73-K77 WeakPolarHBondContact O-CG 3.47Å; T73-K77 PolarHBondContact O-N 3.28Å
74E55.3Low65.1Low139 Ų13963.1 Ų63.165%0.6533%0.327SS*.Hα-helixtrans-67.9-43.1173.7-63.1-161.1156.700111.6Q70 L76 K77 S78Q70-E74 PolarHBondContact O-N 2.93Å; E74-L76 VanDerWaalsContact C-N 3.28Å; E74-L76 PolarHBondContact O-N 2.98Å; E74-K77 PolarHBondContact O-N 3.03Å; E74-K77 VanDerWaalsContact O-N 3.17Å; E74-S78 PolarHBondContact O-N 2.97Å; E74-S78 VanDerWaalsContact O-N 3.09Å
75K58.9Low65.3Low56 Ų5666.9 Ų66.924%0.24334%0.341CS..Hα-helixtrans-59.9-35.9172.9-77.3177.5-168.9172.80112.7D71 S78 L79 M127 E146D71-K75 WeakPolarHBondContact O-CB 3.4Å; D71-K75 WeakPolarHBondContact O-CD 3.42Å; D71-K75 VanDerWaalsContact O-CG 3.25Å; D71-K75 WeakPolarHBondContact O-CG 3.38Å; D71-K75 PolarHBondContact O-N 3.25Å; K75-S78 PolarHBondContact O-OG 2.76Å; K75-L79 WeakPolarHBondContact O-CG 3.17Å; K75-M127 HydrophobicContact CB-CE 3.54Å; K75-M127 HydrophobicContact CD-CE 4.39Å; K75-M127 HydrophobicContact CG-CE 4.04Å; K75-M127 WeakPolarHBondContact O-CE 3.06Å; K75-E146 IonicContact NZ-OE1 2.55Å; K75-E146 PolarHBondContact NZ-OE1 3.05Å; K75-E146 IonicContact NZ-OE2 3.16Å; K75-E146 PolarHBondContact NZ-OE2 2.99Å; K75-E146 VanDerWaalsContact NZ-OE2 3.16Å
76L57.7Low65.5Low18 Ų1869.6 Ų69.69%0.09436%0.356CS..Hα-helixtrans-76.5-32.2176.2-154.486.8000112.5S72 T73 E74 S78 L79 R85 Y88S72-L76 WeakPolarHBondContact O-CB 3.41Å; S72-L76 PolarHBondContact O-N 3.35Å; T73-L76 PolarHBondContact O-N 2.86Å; E74-L76 VanDerWaalsContact C-N 3.28Å; E74-L76 PolarHBondContact O-N 2.98Å; L76-S78 VanDerWaalsContact C-N 3.33Å; L76-L79 PolarHBondContact O-N 3.27Å; L76-R85 HydrophobicContact CD1-CB 4.15Å; L76-R85 HydrophobicContact CD1-CG 3.9Å; L76-R85 HydrophobicContact CG-CG 3.86Å; L76-Y88 HydrophobicContact CD1-CD1 4.18Å
77K58.6Low66.2Low149 Ų14965.9 Ų65.965%0.64834%0.339SS*.Hα-helixtrans-69.6-28.7177.4-77.4169.4-178.1174.80112.7T73 E74 L79T73-K77 WeakPolarHBondContact O-CB 3.4Å; T73-K77 WeakPolarHBondContact O-CG 3.47Å; T73-K77 PolarHBondContact O-N 3.28Å; E74-K77 PolarHBondContact O-N 3.03Å; E74-K77 VanDerWaalsContact O-N 3.17Å; K77-L79 PolarHBondContact O-N 3.04Å
78S60.5Low67Low72 Ų7263.5 Ų63.550%0.50333%0.326SS..THydrogen-bonded Turntrans-73.9-15.7175700000113.4E74 K75 L76 S80E74-S78 PolarHBondContact O-N 2.97Å; E74-S78 VanDerWaalsContact O-N 3.09Å; K75-S78 PolarHBondContact O-OG 2.76Å; L76-S78 VanDerWaalsContact C-N 3.33Å; S78-S80 PolarHBondContact O-N 3.12Å
79L63.1Low67.9Low2 Ų264.3 Ų64.31%0.0133%0.332CS..  trans-87.995.7176.3-61.5173.6000110K75 L76 K77 D81 E84 R85 Y88 L122 K125 M127K75-L79 WeakPolarHBondContact O-CG 3.17Å; L76-L79 PolarHBondContact O-N 3.27Å; K77-L79 PolarHBondContact O-N 3.04Å; L79-D81 PolarHBondContact O-N 3.02Å; L79-E84 HydrophobicContact CB-CB 4.45Å; L79-E84 HydrophobicContact CD2-CB 4.23Å; L79-E84 VanDerWaalsContact CD2-OE2 3.24Å; L79-E84 WeakPolarHBondContact CD2-OE2 3.39Å; L79-R85 HydrophobicContact CB-CG 3.68Å; L79-R85 HydrophobicContact CD1-CG 4.16Å; L79-R85 PolarHBondContact O-NE 2.88Å; L79-R85 VanDerWaalsContact O-NE 3.16Å; L79-Y88 HydrophobicContact CD1-CG 4.38Å; L79-L122 HydrophobicContact CD1-CD2 4.25Å; L79-L122 HydrophobicContact CD2-CD2 3.93Å; L79-K125 HydrophobicContact CD2-CD 3.96Å; L79-M127 HydrophobicContact CD1-CE 4.09Å; L79-M127 HydrophobicContact CD1-SD 4.18Å; L79-M127 HydrophobicContact CD2-SD 3.78Å; L79-M127 HydrophobicContact CG-CE 4.39Å; L79-M127 HydrophobicContact CG-SD 4.19Å
80S63.6Low69Low110 Ų11059.6 Ų59.677%0.76931%0.308SS*.  trans-61.5-37.1178.3-28.60000111.6S78 R85S78-S80 PolarHBondContact O-N 3.12Å; S80-R85 PolarHBondContact O-NH2 2.96Å
81D76.5Confident70.4Confident70 Ų7053.2 Ų53.237%0.37428%0.278SS..  trans-81.5136.4-174-163.9-0.1000111.9L79 E83 E84 R85L79-D81 PolarHBondContact O-N 3.02Å; D81-E83 PolarHBondContact OD1-N 2.86Å; D81-E84 HydrophobicContact CB-CB 4.1Å; D81-E84 HydrophobicContact CB-CG 3.99Å; D81-R85 PolarHBondContact O-N 3.35Å; D81-R85 PolarHBondContact O-NE 3.26Å
82L76.5Confident71.8Confident108 Ų10851.1 Ų51.157%0.56526%0.262SS*.Hα-helixtrans-69.9-37.7177.5-178.265.7000110.6R85 L86L82-R85 PolarHBondContact O-N 3.49Å; L82-L86 WeakPolarHBondContact O-CG 3.38Å; L82-L86 PolarHBondContact O-N 3.48Å; L82-L86 VanDerWaalsContact O-N 3.12Å
83E80.2Confident73.2Confident47 Ų4756 Ų5622%0.2229%0.287CS..Hα-helixtrans-66.1-40.2179.5-62.7-170.3168.600110.9D81 R85 L86 V87 L110 R114 I118D81-E83 PolarHBondContact OD1-N 2.86Å; E83-R85 PolarHBondContact O-N 3.32Å; E83-L86 PolarHBondContact O-N 3.31Å; E83-V87 WeakPolarHBondContact O-CG2 3.21Å; E83-V87 PolarHBondContact O-N 2.97Å; E83-V87 VanDerWaalsContact O-N 3.07Å; E83-L110 HydrophobicContact CB-CD1 4.02Å; E83-L110 HydrophobicContact CG-CD1 4.28Å; E83-L110 HydrophobicContact CG-CD2 4.06Å; E83-R114 IonicContact OE1-NH1 3.03Å; E83-R114 PolarHBondContact OE1-NH1 3.42Å; E83-I118 HydrophobicContact CB-CD1 3.79Å
84E82.1Confident74.5Confident19 Ų1956.2 Ų56.29%0.08929%0.291CS..Hα-helixtrans-59.5-43.1174.2-78.1-175.2167.500112.2L79 D81 V87 Y88 I118 S121 K125L79-E84 HydrophobicContact CB-CB 4.45Å; L79-E84 HydrophobicContact CD2-CB 4.23Å; L79-E84 VanDerWaalsContact CD2-OE2 3.24Å; L79-E84 WeakPolarHBondContact CD2-OE2 3.39Å; D81-E84 HydrophobicContact CB-CB 4.1Å; D81-E84 HydrophobicContact CB-CG 3.99Å; E84-V87 PolarHBondContact O-N 3.01Å; E84-Y88 WeakPolarHBondContact O-CB 3.25Å; E84-Y88 PolarHBondContact O-N 3Å; E84-I118 HydrophobicContact CB-CG2 4.4Å; E84-I118 HydrophobicContact CG-CG2 3.88Å; E84-S121 VanDerWaalsContact OE1-CB 3.27Å; E84-S121 WeakPolarHBondContact OE1-CB 3.44Å; E84-S121 PolarHBondContact OE1-OG 3.25Å; E84-K125 IonicContact OE1-NZ 3.75Å; E84-K125 PolarHBondContact OE1-NZ 2.68Å; E84-K125 IonicContact OE2-NZ 3.64Å; E84-K125 PolarHBondContact OE2-NZ 2.84Å
85R79.7Confident75.6Confident80 Ų8050.5 Ų50.530%0.30227%0.27SS..Hα-helixtrans-64.6-40.1178.6-74.5-177.3-89.7156-10.5112.3L76 L79 S80 D81 L82 E83 N89L76-R85 HydrophobicContact CD1-CB 4.15Å; L76-R85 HydrophobicContact CD1-CG 3.9Å; L76-R85 HydrophobicContact CG-CG 3.86Å; L79-R85 HydrophobicContact CB-CG 3.68Å; L79-R85 HydrophobicContact CD1-CG 4.16Å; L79-R85 PolarHBondContact O-NE 2.88Å; L79-R85 VanDerWaalsContact O-NE 3.16Å; S80-R85 PolarHBondContact O-NH2 2.96Å; D81-R85 PolarHBondContact O-N 3.35Å; D81-R85 PolarHBondContact O-NE 3.26Å; L82-R85 PolarHBondContact O-N 3.49Å; E83-R85 PolarHBondContact O-N 3.32Å; R85-N89 WeakPolarHBondContact O-CB 3.04Å; R85-N89 PolarHBondContact O-N 3.26Å; R85-N89 PolarHBondContact O-ND2 2.97Å; R85-N89 VanDerWaalsContact O-ND2 3.16Å
86L81.6Confident76.4Confident72 Ų7253.7 Ų53.738%0.37729%0.285SS..Hα-helixtrans-64.7-45.6177-70173.6000111.5L82 E83 N89 A90 T108L82-L86 WeakPolarHBondContact O-CG 3.38Å; L82-L86 PolarHBondContact O-N 3.48Å; L82-L86 VanDerWaalsContact O-N 3.12Å; E83-L86 PolarHBondContact O-N 3.31Å; L86-N89 PolarHBondContact O-N 2.92Å; L86-A90 WeakPolarHBondContact O-CB 2.97Å; L86-A90 PolarHBondContact O-N 3.29Å; L86-T108 HydrophobicContact CB-CG2 4.03Å
87V85.2Confident77Confident0 Ų058 Ų580%031%0.309CS..Hα-helixtrans-63.5-43.6177.5172.70000111.2E83 E84 N89 A90 I91 I104 T108 L110 I118 L119 L122E83-V87 WeakPolarHBondContact O-CG2 3.21Å; E83-V87 PolarHBondContact O-N 2.97Å; E83-V87 VanDerWaalsContact O-N 3.07Å; E84-V87 PolarHBondContact O-N 3.01Å; V87-N89 PolarHBondContact O-N 3.45Å; V87-A90 PolarHBondContact O-N 3.41Å; V87-I91 HydrophobicContact CG1-CD1 3.93Å; V87-I91 WeakPolarHBondContact O-CG1 3.49Å; V87-I91 PolarHBondContact O-N 3.43Å; V87-I104 HydrophobicContact CB-CG2 4.38Å; V87-I104 HydrophobicContact CG1-CG2 3.91Å; V87-I104 HydrophobicContact CG2-CG2 4.04Å; V87-T108 HydrophobicContact CG2-CG2 4.04Å; V87-L110 HydrophobicContact CG2-CD1 4.1Å; V87-I118 HydrophobicContact CB-CG2 3.92Å; V87-I118 HydrophobicContact CG1-CG2 4.17Å; V87-I118 HydrophobicContact CG2-CD1 4.3Å; V87-I118 HydrophobicContact CG2-CG2 3.84Å; V87-L119 HydrophobicContact CG1-CD2 3.95Å; V87-L122 HydrophobicContact CB-CD1 4.19Å; V87-L122 HydrophobicContact CG1-CD1 3.71Å
88Y85.4Confident78Confident5 Ų551.3 Ų51.32%0.0228%0.281CS..Hα-helixtrans-61.5-43.9176.7-176.6-97.4000112.2L76 L79 E84 A90 I91 R92 M127 I128 L144L76-Y88 HydrophobicContact CD1-CD1 4.18Å; L79-Y88 HydrophobicContact CD1-CG 4.38Å; E84-Y88 WeakPolarHBondContact O-CB 3.25Å; E84-Y88 PolarHBondContact O-N 3Å; Y88-A90 PolarHBondContact O-N 3.37Å; Y88-I91 PolarHBondContact O-N 2.64Å; Y88-R92 WeakPolarHBondContact O-CB 3.49Å; Y88-R92 PolarHBondContact O-N 3.34Å; Y88-M127 HydrophobicContact CD2-CB 4.27Å; Y88-M127 HydrophobicContact CD2-CE 4.15Å; Y88-M127 HydrophobicContact CE2-CB 3.95Å; Y88-M127 HydrophobicContact CE2-CE 3.81Å; Y88-I128 HydrophobicContact CD2-CG2 4.3Å; Y88-L144 HydrophobicContact CD2-CD2 4.08Å; Y88-L144 HydrophobicContact CE2-CD2 3.34Å
89N83.2Confident79Confident33 Ų3347.9 Ų47.918%0.17626%0.257CS..Hα-helixtrans-63.6-39.1175.8-71.6-30000111.9R68 R85 L86 V87 R92 N93R68-N89 PolarHBondContact NH2-OD1 3.48Å; R85-N89 WeakPolarHBondContact O-CB 3.04Å; R85-N89 PolarHBondContact O-N 3.26Å; R85-N89 PolarHBondContact O-ND2 2.97Å; R85-N89 VanDerWaalsContact O-ND2 3.16Å; L86-N89 PolarHBondContact O-N 2.92Å; V87-N89 PolarHBondContact O-N 3.45Å; N89-R92 PolarHBondContact O-N 3.05Å; N89-N93 WeakPolarHBondContact O-CB 3.25Å; N89-N93 PolarHBondContact O-N 2.85Å; N89-N93 PolarHBondContact O-OD1 3.36Å
90A84.5Confident80.1Confident8 Ų849.3 Ų49.37%0.06627%0.267CS..Hα-helixtrans-63.7-41.7176.400000112.1L86 V87 Y88 N93 A94 E107 T108L86-A90 WeakPolarHBondContact O-CB 2.97Å; L86-A90 PolarHBondContact O-N 3.29Å; V87-A90 PolarHBondContact O-N 3.41Å; Y88-A90 PolarHBondContact O-N 3.37Å; A90-N93 PolarHBondContact O-N 2.9Å; A90-A94 PolarHBondContact O-N 3.28Å; A90-E107 HydrophobicContact CB-CB 3.94Å; A90-T108 HydrophobicContact CB-CG2 3.9Å
91I85.4Confident81Confident0 Ų046.8 Ų46.80%025%0.245CC..Hα-helixtrans-65.9-41.4175.4-65.4167.3000110.7V87 Y88 A94 A99 I104 L119 I128 L144V87-I91 HydrophobicContact CG1-CD1 3.93Å; V87-I91 WeakPolarHBondContact O-CG1 3.49Å; V87-I91 PolarHBondContact O-N 3.43Å; Y88-I91 PolarHBondContact O-N 2.64Å; I91-A94 WeakPolarHBondContact O-CB 3.38Å; I91-A94 PolarHBondContact O-N 2.89Å; I91-A99 HydrophobicContact CB-CB 4.41Å; I91-A99 HydrophobicContact CG1-CB 4Å; I91-I104 HydrophobicContact CD1-CD1 4.07Å; I91-I104 HydrophobicContact CG1-CD1 3.77Å; I91-I104 HydrophobicContact CG1-CG1 4.19Å; I91-L119 HydrophobicContact CD1-CD2 3.86Å; I91-I128 HydrophobicContact CD1-CD1 3.82Å; I91-I128 HydrophobicContact CD1-CG2 3.91Å; I91-I128 HydrophobicContact CG2-CG2 4.27Å; I91-L144 HydrophobicContact CG2-CD2 4.41Å; I91-L144 HydrophobicContact CG2-CG 4.34Å
92R83.3Confident81.3Confident57 Ų5750 Ų5022%0.21526%0.255CS..Hα-helixtrans-61.7-44.2175.9179-176.9-177164.810.8112.2R68 S72 Y88 N89 A94 G95 L144R68-R92 VanDerWaalsContact CD-NH1 3.31Å; R68-R92 VanDerWaalsContact CG-NH1 3.27Å; S72-R92 PolarHBondContact OG-NH1 2.99Å; S72-R92 PolarHBondContact OG-NH2 3.33Å; Y88-R92 WeakPolarHBondContact O-CB 3.49Å; Y88-R92 PolarHBondContact O-N 3.34Å; N89-R92 PolarHBondContact O-N 3.05Å; R92-A94 PolarHBondContact O-N 3.23Å; R92-G95 PolarHBondContact O-N 3.17Å; R92-L144 HydrophobicContact CB-CD1 4Å; R92-L144 HydrophobicContact CG-CD1 4.02Å
93N82.2Confident81.6Confident114 Ų11448.1 Ų48.161%0.6125%0.245SC*.Hα-helixtrans-64.2-27.9179.7-71.3-6.5000112.2N89 A90 G95N89-N93 WeakPolarHBondContact O-CB 3.25Å; N89-N93 PolarHBondContact O-N 2.85Å; N89-N93 PolarHBondContact O-OD1 3.36Å; A90-N93 PolarHBondContact O-N 2.9Å; N93-G95 VanDerWaalsContact C-N 3.25Å; N93-G95 PolarHBondContact O-N 3.26Å
94A81.8Confident81.8Confident21 Ų2145.9 Ų45.917%0.17424%0.235CC..Hα-helixtrans-70.9-19.7173.800000113.3A90 I91 R92 E96 D97 A99 L103A90-A94 PolarHBondContact O-N 3.28Å; I91-A94 WeakPolarHBondContact O-CB 3.38Å; I91-A94 PolarHBondContact O-N 2.89Å; R92-A94 PolarHBondContact O-N 3.23Å; A94-E96 PolarHBondContact O-N 2.7Å; A94-D97 PolarHBondContact O-N 2.91Å; A94-A99 HydrophobicContact CB-CB 3.77Å; A94-L103 HydrophobicContact CB-CD2 4.14Å
95G78.6Confident82Confident20 Ų2046 Ų4621%0.20624%0.238CC..G310 helixtrans56.2-133.3176.500000112.9R92 N93 D97 L143R92-G95 PolarHBondContact O-N 3.17Å; N93-G95 VanDerWaalsContact C-N 3.25Å; N93-G95 PolarHBondContact O-N 3.26Å; G95-D97 VanDerWaalsContact C-N 3.31Å; G95-D97 PolarHBondContact O-N 2.9Å; G95-L143 WeakPolarHBondContact O-CD1 3.11Å
96E73.8Confident82.2Confident123 Ų12345.6 Ų45.658%0.57525%0.248SC*.G310 helixtrans-69.7-22.3-176.5-62.2175.6-178.500114.1A94 A98 S150A94-E96 PolarHBondContact O-N 2.7Å; E96-A98 PolarHBondContact O-N 2.84Å; E96-S150 PolarHBondContact O-N 2.87Å
97D72.1Confident82.2Confident109 Ų10947.6 Ų47.658%0.58326%0.255SS*.G310 helixtrans-78-5-177.3-76.7-28.1000113.4A94 G95 S150A94-D97 PolarHBondContact O-N 2.91Å; G95-D97 VanDerWaalsContact C-N 3.31Å; G95-D97 PolarHBondContact O-N 2.9Å; D97-S150 PolarHBondContact OD1-OG 2.83Å
98A78.8Confident82.1Confident8 Ų848.2 Ų48.27%0.06626%0.259CS..  trans57.5148.1-177.100000114.1E96 V141 L143 L153E96-A98 PolarHBondContact O-N 2.84Å; A98-V141 HydrophobicContact CB-CB 3.79Å; A98-V141 HydrophobicContact CB-CG2 3.83Å; A98-L143 HydrophobicContact CB-CB 4.21Å; A98-L143 HydrophobicContact CB-CD1 4.27Å; A98-L153 HydrophobicContact CB-CD2 3.73Å
99A82.5Confident81.9Confident0 Ų057 Ų570%030%0.297CS..EExtended strand (participates in β ladder)trans-94.7124.9-177.800000111.4I91 A94 L103 I104 Y142I91-A99 HydrophobicContact CB-CB 4.41Å; I91-A99 HydrophobicContact CG1-CB 4Å; A94-A99 HydrophobicContact CB-CB 3.77Å; A99-L103 HydrophobicContact CB-CD2 4.35Å; A99-I104 HydrophobicContact CB-CD1 3.95Å; A99-I104 HydrophobicContact CB-CG1 3.66Å; A99-Y142 PolarHBondContact N-O 3.1Å; A99-Y142 PolarHBondContact O-N 3.43Å
100S84.3Confident81.9Confident32 Ų3256.5 Ų56.522%0.22429%0.294CS..EExtended strand (participates in β ladder)trans-77.9156.3168.771.80000111.1K102 L103 I104S100-K102 PolarHBondContact O-N 3.27Å; S100-K102 VanDerWaalsContact O-N 3.12Å; S100-L103 PolarHBondContact O-N 2.98Å; S100-L103 PolarHBondContact OG-N 3.35Å; S100-I104 WeakPolarHBondContact O-CG1 3.43Å; S100-I104 PolarHBondContact O-N 2.89Å
101L83.5Confident81.7Confident57 Ų5759.7 Ų59.730%0.29831%0.314SS..Hα-helixtrans-54.7-33.9176.2-174.565.6000112.6S105 I115 L119L101-S105 WeakPolarHBondContact O-CB 3.5Å; L101-S105 PolarHBondContact O-N 3.24Å; L101-I115 HydrophobicContact CD1-CB 3.84Å; L101-I115 HydrophobicContact CD1-CD1 4.4Å; L101-I115 HydrophobicContact CD1-CG2 3.48Å; L101-I115 VanDerWaalsContact CD1-CG2 3.48Å; L101-L119 HydrophobicContact CD1-CD1 4.02Å
102K81.7Confident81.4Confident136 Ų13664.5 Ų64.559%0.59134%0.337SS*.Hα-helixtrans-66.3-46176.7-65.9-178.2-177.3177.30111.5S100 S105 S106S100-K102 PolarHBondContact O-N 3.27Å; S100-K102 VanDerWaalsContact O-N 3.12Å; K102-S105 PolarHBondContact O-N 3.21Å; K102-S106 PolarHBondContact O-N 2.75Å; K102-S106 PolarHBondContact O-OG 3.23Å
103L83.5Confident81.4Confident69 Ų6968.9 Ų68.936%0.36136%0.364SS..Hα-helixtrans-64.4-43.6178.4-175.566.5000111.4A94 A99 S100 S105 S106 E107A94-L103 HydrophobicContact CB-CD2 4.14Å; A99-L103 HydrophobicContact CB-CD2 4.35Å; S100-L103 PolarHBondContact O-N 2.98Å; S100-L103 PolarHBondContact OG-N 3.35Å; L103-S105 VanDerWaalsContact C-N 3.29Å; L103-S105 PolarHBondContact O-N 2.75Å; L103-S106 WeakPolarHBondContact CA-OG 3.29Å; L103-S106 PolarHBondContact O-N 2.87Å; L103-S106 PolarHBondContact O-OG 3.43Å; L103-E107 HydrophobicContact CD1-CG 4.34Å; L103-E107 HydrophobicContact CG-CG 4.48Å; L103-E107 WeakPolarHBondContact O-CB 3.43Å; L103-E107 WeakPolarHBondContact O-CG 3.5Å; L103-E107 PolarHBondContact O-N 3.33Å
104I85.2Confident81.4Confident1 Ų170 Ų701%0.00536%0.36CS..Hα-helixtrans-61.3-42.2176.7-61.4170.6000110V87 I91 A99 S100 T108 I115 L119 Y142V87-I104 HydrophobicContact CB-CG2 4.38Å; V87-I104 HydrophobicContact CG1-CG2 3.91Å; V87-I104 HydrophobicContact CG2-CG2 4.04Å; I91-I104 HydrophobicContact CD1-CD1 4.07Å; I91-I104 HydrophobicContact CG1-CD1 3.77Å; I91-I104 HydrophobicContact CG1-CG1 4.19Å; A99-I104 HydrophobicContact CB-CD1 3.95Å; A99-I104 HydrophobicContact CB-CG1 3.66Å; S100-I104 WeakPolarHBondContact O-CG1 3.43Å; S100-I104 PolarHBondContact O-N 2.89Å; I104-T108 HydrophobicContact CG2-CG2 4.13Å; I104-T108 WeakPolarHBondContact O-CB 3.33Å; I104-T108 VanDerWaalsContact O-CG2 3.31Å; I104-T108 WeakPolarHBondContact O-CG2 3.39Å; I104-T108 PolarHBondContact O-N 3.28Å; I104-T108 PolarHBondContact O-OG1 3.46Å; I104-I115 HydrophobicContact CG2-CD1 4.37Å; I104-I115 HydrophobicContact CG2-CG2 3.86Å; I104-L119 HydrophobicContact CD1-CD2 4.1Å; I104-Y142 HydrophobicContact CD1-CD2 3.99Å
105S84.9Confident81.5Confident21 Ų2169 Ų6915%0.14735%0.352CS..Hα-helixtrans-65.8-39.2178.6-171.10000112.7L101 K102 L103 K109 L110 Q112L101-S105 WeakPolarHBondContact O-CB 3.5Å; L101-S105 PolarHBondContact O-N 3.24Å; K102-S105 PolarHBondContact O-N 3.21Å; L103-S105 VanDerWaalsContact C-N 3.29Å; L103-S105 PolarHBondContact O-N 2.75Å; S105-K109 WeakPolarHBondContact O-CA 3.49Å; S105-K109 PolarHBondContact O-N 2.86Å; S105-L110 PolarHBondContact OG-O 3.36Å; S105-L110 VanDerWaalsContact OG-O 3.06Å; S105-Q112 WeakPolarHBondContact OG-CG 3.39Å
106S85.1Confident81.9Confident72 Ų7270.6 Ų70.650%0.50336%0.359SS..Hα-helixtrans-68.8-42.3177.456.80000112.7K102 L103K102-S106 PolarHBondContact O-N 2.75Å; K102-S106 PolarHBondContact O-OG 3.23Å; L103-S106 WeakPolarHBondContact CA-OG 3.29Å; L103-S106 PolarHBondContact O-N 2.87Å; L103-S106 PolarHBondContact O-OG 3.43Å
107E82.2Confident82.5Confident114 Ų11474.7 Ų74.753%0.53337%0.369SS..Hα-helixtrans-71.7-44.2-179-72.9-60.9136.200112.2A90 L103A90-E107 HydrophobicContact CB-CB 3.94Å; L103-E107 HydrophobicContact CD1-CG 4.34Å; L103-E107 HydrophobicContact CG-CG 4.48Å; L103-E107 WeakPolarHBondContact O-CB 3.43Å; L103-E107 WeakPolarHBondContact O-CG 3.5Å; L103-E107 PolarHBondContact O-N 3.33Å
108T82.4Confident83.1Confident13 Ų1370 Ų708%0.0834%0.344CS..Hα-helixtrans-82.6-14.8-176.962.60000113.6L86 V87 A90 I104 L110L86-T108 HydrophobicContact CB-CG2 4.03Å; V87-T108 HydrophobicContact CG2-CG2 4.04Å; A90-T108 HydrophobicContact CB-CG2 3.9Å; I104-T108 HydrophobicContact CG2-CG2 4.13Å; I104-T108 WeakPolarHBondContact O-CB 3.33Å; I104-T108 VanDerWaalsContact O-CG2 3.31Å; I104-T108 WeakPolarHBondContact O-CG2 3.39Å; I104-T108 PolarHBondContact O-N 3.28Å; I104-T108 PolarHBondContact O-OG1 3.46Å; T108-L110 PolarHBondContact O-N 3.02Å; T108-L110 VanDerWaalsContact O-N 3.12Å; T108-L110 PolarHBondContact OG1-N 3.37Å
109K80.9Confident83.5Confident189 Ų18969.8 Ų69.882%0.82234%0.341SS*.  trans54.422.1-171-55.8179.9-178178.10113.4S105S105-K109 WeakPolarHBondContact O-CA 3.49Å; S105-K109 PolarHBondContact O-N 2.86Å
110L82.6Confident83.7Confident22 Ų2277.1 Ų77.112%0.11537%0.373CS..  trans-87.8147178.1-67.1172.8000111.1E83 V87 S105 T108 Q112 I115 I118E83-L110 HydrophobicContact CB-CD1 4.02Å; E83-L110 HydrophobicContact CG-CD1 4.28Å; E83-L110 HydrophobicContact CG-CD2 4.06Å; V87-L110 HydrophobicContact CG2-CD1 4.1Å; S105-L110 PolarHBondContact OG-O 3.36Å; S105-L110 VanDerWaalsContact OG-O 3.06Å; T108-L110 PolarHBondContact O-N 3.02Å; T108-L110 VanDerWaalsContact O-N 3.12Å; T108-L110 PolarHBondContact OG1-N 3.37Å; L110-Q112 PolarHBondContact O-N 3.18Å; L110-I115 HydrophobicContact CB-CD1 4.48Å; L110-I115 HydrophobicContact CB-CG1 4.21Å; L110-I118 HydrophobicContact CD1-CD1 4.19Å
111P81.7Confident83.7Confident76 Ų7677.1 Ų77.149%0.49437%0.373SS..  trans-62.3134.1174.2-18.329.7000111.6N113 R114P111-N113 PolarHBondContact O-N 2.99Å; P111-R114 PolarHBondContact O-N 3.22Å
112Q78.6Confident83.9Confident100 Ų10074.4 Ų74.447%0.46736%0.359SS..THydrogen-bonded Turntrans-54.3-26.3-178.5-69.9-174.1-3.200114.1S105 L110 R114 P116S105-Q112 WeakPolarHBondContact OG-CG 3.39Å; L110-Q112 PolarHBondContact O-N 3.18Å; Q112-R114 VanDerWaalsContact C-N 3.3Å; Q112-R114 PolarHBondContact O-N 3.45Å; Q112-P116 WeakPolarHBondContact O-CD 3.48Å
113N82.1Confident84.1Confident149 Ų14970.8 Ų70.880%0.79735%0.345SS*.THydrogen-bonded Turntrans-69.6-23.9178.9-66.2-12.3000113.8P111P111-N113 PolarHBondContact O-N 2.99Å
114R82.4Confident84.2Confident137 Ų13771.8 Ų71.852%0.51736%0.358SS..THydrogen-bonded Turntrans-87.9-34.7-179.6-68.6-168.1176.2-171-0.4112.6E83 P111 Q112 R117 I118E83-R114 IonicContact OE1-NH1 3.03Å; E83-R114 PolarHBondContact OE1-NH1 3.42Å; P111-R114 PolarHBondContact O-N 3.22Å; Q112-R114 VanDerWaalsContact C-N 3.3Å; Q112-R114 PolarHBondContact O-N 3.45Å; R114-R117 PolarHBondContact O-N 3.05Å; R114-R117 VanDerWaalsContact O-N 3.12Å; R114-I118 PolarHBondContact O-N 2.62Å
115I84.8Confident84.2Confident0 Ų075.9 Ų75.90%038%0.376CS..Hα-helixtrans-56.2-42.1-173.6-55172.9000113L101 I104 L110 R117 I118 L119L101-I115 HydrophobicContact CD1-CB 3.84Å; L101-I115 HydrophobicContact CD1-CD1 4.4Å; L101-I115 HydrophobicContact CD1-CG2 3.48Å; L101-I115 VanDerWaalsContact CD1-CG2 3.48Å; I104-I115 HydrophobicContact CG2-CD1 4.37Å; I104-I115 HydrophobicContact CG2-CG2 3.86Å; L110-I115 HydrophobicContact CB-CD1 4.48Å; L110-I115 HydrophobicContact CB-CG1 4.21Å; I115-R117 VanDerWaalsContact C-N 3.28Å; I115-R117 PolarHBondContact O-N 2.91Å; I115-I118 WeakPolarHBondContact O-CB 3.41Å; I115-I118 PolarHBondContact O-N 2.98Å; I115-I118 VanDerWaalsContact O-N 3.15Å; I115-L119 HydrophobicContact CG2-CD1 3.66Å; I115-L119 HydrophobicContact CG2-CG 3.94Å; I115-L119 VanDerWaalsContact O-CG 3.32Å; I115-L119 WeakPolarHBondContact O-CG 3.41Å; I115-L119 PolarHBondContact O-N 3.06Å
116P86.4Confident84.1Confident55 Ų5583.1 Ų83.136%0.35741%0.405SS..Hα-helixtrans-59.7-31.8178.5-27.534.7000114.7Q112 K120Q112-P116 WeakPolarHBondContact O-CD 3.48Å; P116-K120 WeakPolarHBondContact O-CG 3.31Å; P116-K120 PolarHBondContact O-N 2.99Å
117R85.9Confident83.9Confident208 Ų20880.6 Ų80.679%0.78539%0.385SS*.Hα-helixtrans-71.5-42.7176.7-68.1-175.8-179177.5-0.1110.9R114 I115 K120 S121R114-R117 PolarHBondContact O-N 3.05Å; R114-R117 VanDerWaalsContact O-N 3.12Å; I115-R117 VanDerWaalsContact C-N 3.28Å; I115-R117 PolarHBondContact O-N 2.91Å; R117-K120 PolarHBondContact O-N 3.2Å; R117-S121 PolarHBondContact O-N 3.32Å; R117-S121 VanDerWaalsContact O-N 3.1Å
118I85.5Confident84.1Confident12 Ų1275.3 Ų75.36%0.06236%0.361CS..Hα-helixtrans-63.2-45.2177.5-61.3169.1000110.3E83 E84 V87 L110 R114 I115 K120 S121 L122E83-I118 HydrophobicContact CB-CD1 3.79Å; E84-I118 HydrophobicContact CB-CG2 4.4Å; E84-I118 HydrophobicContact CG-CG2 3.88Å; V87-I118 HydrophobicContact CB-CG2 3.92Å; V87-I118 HydrophobicContact CG1-CG2 4.17Å; V87-I118 HydrophobicContact CG2-CD1 4.3Å; V87-I118 HydrophobicContact CG2-CG2 3.84Å; L110-I118 HydrophobicContact CD1-CD1 4.19Å; R114-I118 PolarHBondContact O-N 2.62Å; I115-I118 WeakPolarHBondContact O-CB 3.41Å; I115-I118 PolarHBondContact O-N 2.98Å; I115-I118 VanDerWaalsContact O-N 3.15Å; I118-K120 PolarHBondContact O-N 3Å; I118-S121 WeakPolarHBondContact O-CB 3.38Å; I118-S121 PolarHBondContact O-N 3.49Å; I118-S121 VanDerWaalsContact O-N 3.12Å; I118-L122 HydrophobicContact CG2-CD1 4.16Å; I118-L122 WeakPolarHBondContact O-CG 3.28Å; I118-L122 PolarHBondContact O-N 2.81Å
119L87.3Confident84.2Confident2 Ų277.3 Ų77.31%0.0137%0.368CS..Hα-helixtrans-60.2-43.1176.9-70.7168.1000112V87 I91 L101 I104 I115 S121 L122 I123 I128 Y142V87-L119 HydrophobicContact CG1-CD2 3.95Å; I91-L119 HydrophobicContact CD1-CD2 3.86Å; L101-L119 HydrophobicContact CD1-CD1 4.02Å; I104-L119 HydrophobicContact CD1-CD2 4.1Å; I115-L119 HydrophobicContact CG2-CD1 3.66Å; I115-L119 HydrophobicContact CG2-CG 3.94Å; I115-L119 VanDerWaalsContact O-CG 3.32Å; I115-L119 WeakPolarHBondContact O-CG 3.41Å; I115-L119 PolarHBondContact O-N 3.06Å; L119-S121 VanDerWaalsContact C-N 3.31Å; L119-S121 PolarHBondContact O-N 3.19Å; L119-L122 PolarHBondContact O-N 2.94Å; L119-I123 WeakPolarHBondContact O-CB 3.34Å; L119-I123 WeakPolarHBondContact O-CD1 3.19Å; L119-I123 WeakPolarHBondContact O-CG1 3.49Å; L119-I123 PolarHBondContact O-N 2.86Å; L119-I128 HydrophobicContact CD2-CD1 3.61Å; L119-Y142 HydrophobicContact CB-CE1 4.38Å; L119-Y142 HydrophobicContact CD1-CD2 3.97Å; L119-Y142 HydrophobicContact CD1-CE1 4.13Å; L119-Y142 HydrophobicContact CD1-CE2 3.47Å; L119-Y142 VanDerWaalsContact CD1-CE2 3.47Å; L119-Y142 HydrophobicContact CD1-CG 4.49Å; L119-Y142 HydrophobicContact CD2-CD1 4.01Å; L119-Y142 HydrophobicContact CD2-CD2 4.02Å; L119-Y142 HydrophobicContact CD2-CE1 4.31Å; L119-Y142 HydrophobicContact CD2-CE2 4.32Å; L119-Y142 HydrophobicContact CD2-CG 3.86Å; L119-Y142 HydrophobicContact CG-CE2 4.47Å
120K86.5Confident84.3Confident155 Ų15572.2 Ų72.267%0.67435%0.348SS*.Hα-helixtrans-60.2-40.1174.2-74.6177.9-178-172.70112.3P116 R117 I118 I123 S124P116-K120 WeakPolarHBondContact O-CG 3.31Å; P116-K120 PolarHBondContact O-N 2.99Å; R117-K120 PolarHBondContact O-N 3.2Å; I118-K120 PolarHBondContact O-N 3Å; K120-I123 PolarHBondContact O-N 3.26Å; K120-S124 WeakPolarHBondContact O-CB 3.46Å; K120-S124 PolarHBondContact O-N 3.19Å; K120-S124 PolarHBondContact O-OG 3.16Å
121S85.6Confident84Confident31 Ų3172.2 Ų72.222%0.21735%0.348CS..Hα-helixtrans-61.5-49.8174.6-177.10000111.1E84 R117 I118 L119 I123 S124 K125E84-S121 VanDerWaalsContact OE1-CB 3.27Å; E84-S121 WeakPolarHBondContact OE1-CB 3.44Å; E84-S121 PolarHBondContact OE1-OG 3.25Å; R117-S121 PolarHBondContact O-N 3.32Å; R117-S121 VanDerWaalsContact O-N 3.1Å; I118-S121 WeakPolarHBondContact O-CB 3.38Å; I118-S121 PolarHBondContact O-N 3.49Å; I118-S121 VanDerWaalsContact O-N 3.12Å; L119-S121 VanDerWaalsContact C-N 3.31Å; L119-S121 PolarHBondContact O-N 3.19Å; S121-I123 VanDerWaalsContact C-N 3.34Å; S121-I123 PolarHBondContact O-N 3.4Å; S121-S124 PolarHBondContact O-N 2.94Å; S121-S124 VanDerWaalsContact O-N 3.14Å; S121-S124 PolarHBondContact O-OG 3.14Å; S121-K125 WeakPolarHBondContact O-CG 3.46Å; S121-K125 PolarHBondContact O-N 2.58Å
122L85.7Confident83.4Confident0 Ų072.8 Ų72.80%035%0.352CS..Hα-helixtrans-63.3-35.7178.9-68.9173.3000113.1L79 V87 I118 L119 K125 K126 M127 I128L79-L122 HydrophobicContact CD1-CD2 4.25Å; L79-L122 HydrophobicContact CD2-CD2 3.93Å; V87-L122 HydrophobicContact CB-CD1 4.19Å; V87-L122 HydrophobicContact CG1-CD1 3.71Å; I118-L122 HydrophobicContact CG2-CD1 4.16Å; I118-L122 WeakPolarHBondContact O-CG 3.28Å; I118-L122 PolarHBondContact O-N 2.81Å; L119-L122 PolarHBondContact O-N 2.94Å; L122-K125 PolarHBondContact O-N 3.16Å; L122-K126 PolarHBondContact O-N 3.49Å; L122-M127 HydrophobicContact CD2-SD 4.11Å; L122-M127 PolarHBondContact O-N 2.55Å; L122-I128 HydrophobicContact CB-CD1 3.54Å; L122-I128 HydrophobicContact CB-CG1 3.73Å; L122-I128 HydrophobicContact CB-CG2 4.41Å; L122-I128 HydrophobicContact CD1-CD1 4.16Å
123I87.4Confident82.7Confident60 Ų6070.7 Ų70.731%0.30834%0.343SS..Hα-helixtrans-66.4-45.2173.1-68.3163.8000110.1L119 K120 S121 K125 K126 I128 Y142L119-I123 WeakPolarHBondContact O-CB 3.34Å; L119-I123 WeakPolarHBondContact O-CD1 3.19Å; L119-I123 WeakPolarHBondContact O-CG1 3.49Å; L119-I123 PolarHBondContact O-N 2.86Å; K120-I123 PolarHBondContact O-N 3.26Å; S121-I123 VanDerWaalsContact C-N 3.34Å; S121-I123 PolarHBondContact O-N 3.4Å; I123-K125 PolarHBondContact O-N 2.99Å; I123-K126 WeakPolarHBondContact O-CA 3.39Å; I123-K126 PolarHBondContact O-N 3.42Å; I123-I128 HydrophobicContact CG1-CD1 3.98Å; I123-I128 HydrophobicContact CG1-CG1 3.65Å; I123-Y142 HydrophobicContact CD1-CD1 4.45Å; I123-Y142 HydrophobicContact CD1-CE1 4.09Å
124S86Confident81.4Confident90 Ų9065.7 Ų65.763%0.62932%0.322SS*.Hα-helixtrans-62.8-32.217975.10000112.6K120 S121 K126K120-S124 WeakPolarHBondContact O-CB 3.46Å; K120-S124 PolarHBondContact O-N 3.19Å; K120-S124 PolarHBondContact O-OG 3.16Å; S121-S124 PolarHBondContact O-N 2.94Å; S121-S124 VanDerWaalsContact O-N 3.14Å; S121-S124 PolarHBondContact O-OG 3.14Å; S124-K126 PolarHBondContact O-N 2.83Å
125K84.9Confident80.1Confident88 Ų8863.2 Ų63.238%0.38332%0.322SS..THydrogen-bonded Turntrans-78.10.9173.2-65.6176.6-175.2-179.70113.6L79 E84 S121 L122 I123 M127L79-K125 HydrophobicContact CD2-CD 3.96Å; E84-K125 IonicContact OE1-NZ 3.75Å; E84-K125 PolarHBondContact OE1-NZ 2.68Å; E84-K125 IonicContact OE2-NZ 3.64Å; E84-K125 PolarHBondContact OE2-NZ 2.84Å; S121-K125 WeakPolarHBondContact O-CG 3.46Å; S121-K125 PolarHBondContact O-N 2.58Å; L122-K125 PolarHBondContact O-N 3.16Å; I123-K125 PolarHBondContact O-N 2.99Å; K125-M127 HydrophobicContact CB-CG 3.92Å; K125-M127 HydrophobicContact CB-SD 4.24Å; K125-M127 HydrophobicContact CD-SD 4.48Å; K125-M127 PolarHBondContact O-N 3.09Å
126K82.1Confident78.5Confident172 Ų17266.1 Ų66.175%0.74835%0.352SS*.THydrogen-bonded Turntrans56.628.5-176.7-58.4-176.5178.1-178.20114.6L122 I123 S124L122-K126 PolarHBondContact O-N 3.49Å; I123-K126 WeakPolarHBondContact O-CA 3.39Å; I123-K126 PolarHBondContact O-N 3.42Å; S124-K126 PolarHBondContact O-N 2.83Å
127M80.6Confident76.9Confident19 Ų1970.4 Ų70.49%0.09437%0.367CS..SBendtrans-88.2-30.5179.7-59.8-173.282.700112.2K75 L79 Y88 L122 K125 M145K75-M127 HydrophobicContact CB-CE 3.54Å; K75-M127 HydrophobicContact CD-CE 4.39Å; K75-M127 HydrophobicContact CG-CE 4.04Å; K75-M127 WeakPolarHBondContact O-CE 3.06Å; L79-M127 HydrophobicContact CD1-CE 4.09Å; L79-M127 HydrophobicContact CD1-SD 4.18Å; L79-M127 HydrophobicContact CD2-SD 3.78Å; L79-M127 HydrophobicContact CG-CE 4.39Å; L79-M127 HydrophobicContact CG-SD 4.19Å; Y88-M127 HydrophobicContact CD2-CB 4.27Å; Y88-M127 HydrophobicContact CD2-CE 4.15Å; Y88-M127 HydrophobicContact CE2-CB 3.95Å; Y88-M127 HydrophobicContact CE2-CE 3.81Å; L122-M127 HydrophobicContact CD2-SD 4.11Å; L122-M127 PolarHBondContact O-N 2.55Å; K125-M127 HydrophobicContact CB-CG 3.92Å; K125-M127 HydrophobicContact CB-SD 4.24Å; K125-M127 HydrophobicContact CD-SD 4.48Å; K125-M127 PolarHBondContact O-N 3.09Å; M127-M145 PolarHBondContact O-N 3.43Å; M127-M145 VanDerWaalsContact O-N 3.17Å
128I87.1Confident75.5Confident4 Ų470.1 Ų70.12%0.02137%0.371CS..EExtended strand (participates in β ladder)trans-130.3153.3179.370.1176.4000109.7Y88 I91 L119 L122 I123 Y142 L143 L144Y88-I128 HydrophobicContact CD2-CG2 4.3Å; I91-I128 HydrophobicContact CD1-CD1 3.82Å; I91-I128 HydrophobicContact CD1-CG2 3.91Å; I91-I128 HydrophobicContact CG2-CG2 4.27Å; L119-I128 HydrophobicContact CD2-CD1 3.61Å; L122-I128 HydrophobicContact CB-CD1 3.54Å; L122-I128 HydrophobicContact CB-CG1 3.73Å; L122-I128 HydrophobicContact CB-CG2 4.41Å; L122-I128 HydrophobicContact CD1-CD1 4.16Å; I123-I128 HydrophobicContact CG1-CD1 3.98Å; I123-I128 HydrophobicContact CG1-CG1 3.65Å; I128-Y142 HydrophobicContact CD1-CD1 4.18Å; I128-L143 CarbonylContact C-O 3.57Å; I128-L143 VanDerWaalsContact CA-O 3.25Å; I128-L143 WeakPolarHBondContact CA-O 3.44Å; I128-L143 WeakPolarHBondContact CB-O 3.28Å; I128-L144 HydrophobicContact CG2-CD2 4.45Å
129K83.5Confident74.6Confident54 Ų5473.2 Ų73.224%0.23539%0.386CS..EExtended strand (participates in β ladder)trans-117.7150.7171.162.2-175176.1-164.80110.4V131 Y142 L143 M145 L147K129-V131 HydrophobicContact CG-CG2 4.36Å; K129-Y142 WeakPolarHBondContact O-CA 3.19Å; K129-L143 HydrophobicContact CG-CB 4.21Å; K129-L143 PolarHBondContact N-O 2.83Å; K129-L143 PolarHBondContact O-N 3.43Å; K129-M145 HydrophobicContact CB-SD 4.18Å; K129-M145 HydrophobicContact CD-SD 3.94Å; K129-M145 HydrophobicContact CG-SD 4.46Å; K129-M145 PolarHBondContact NZ-O 3.29Å; K129-L147 WeakPolarHBondContact CE-O 3.34Å; K129-L147 PolarHBondContact NZ-O 3.43Å
130E83.6Confident74Confident83 Ų8378.3 Ų78.339%0.38841%0.408SS..EExtended strand (participates in β ladder)trans-94.2129.1174.4-169.6-175132.600108.7K140 Y142E130-K140 HydrophobicContact CG-CB 4.01Å; E130-K140 HydrophobicContact CG-CD 4.49Å; E130-K140 HydrophobicContact CG-CG 4.3Å; E130-K140 WeakPolarHBondContact OE1-CD 3.25Å; E130-K140 WeakPolarHBondContact OE1-CE 3.45Å; E130-K140 WeakPolarHBondContact OE1-CG 3.39Å; E130-K140 IonicContact OE1-NZ 3.04Å; E130-K140 PolarHBondContact OE1-NZ 3.48Å; E130-K140 IonicContact OE2-NZ 3.39Å; E130-K140 PolarHBondContact OE2-NZ 2.99Å; E130-Y142 HydrophobicContact CB-CD1 4.4Å; E130-Y142 HydrophobicContact CB-CE1 4.21Å; E130-Y142 HydrophobicContact CG-CD1 4.4Å; E130-Y142 HydrophobicContact CG-CE1 3.91Å
131V76.7Confident73.8Confident22 Ų2271.1 Ų71.113%0.13338%0.377CS..EExtended strand (participates in β ladder)trans-120.9130.7176.8-177.70000108.3K129 V141 L143K129-V131 HydrophobicContact CG-CG2 4.36Å; V131-V141 HydrophobicContact CB-CG2 4.06Å; V131-V141 PolarHBondContact N-O 3.33Å; V131-V141 VanDerWaalsContact O-CG2 3.28Å; V131-V141 WeakPolarHBondContact O-CG2 2.98Å; V131-V141 PolarHBondContact O-N 3.3Å; V131-L143 HydrophobicContact CG2-CB 4.48Å
132P68.6Low73.7Confident87 Ų8770.7 Ų70.757%0.56537%0.371SS*.EExtended strand (participates in β ladder)trans-70.8131.8174.128.4-32.5000110.5
133M63.3Low73.7Confident56 Ų5670.7 Ų70.728%0.27637%0.371SS..  trans-85.2133.3165.5-67.9-170.279.700110.2Q139 V141 L153M133-Q139 WeakPolarHBondContact CB-O 3.44Å; M133-Q139 PolarHBondContact N-O 3.13Å; M133-V141 HydrophobicContact CG-CB 4.13Å; M133-V141 HydrophobicContact CG-CG1 3.44Å; M133-V141 VanDerWaalsContact CG-CG1 3.44Å; M133-V141 HydrophobicContact CG-CG2 3.63Å; M133-V141 HydrophobicContact SD-CB 4.48Å; M133-V141 HydrophobicContact SD-CG1 3.25Å; M133-V141 WeakPolarHBondContact SD-CG1 3.26Å; M133-L153 HydrophobicContact CE-CD1 4.15Å; M133-L153 HydrophobicContact CG-CD1 3.96Å
134A55.5Low73.5Confident44 Ų4468.5 Ų68.536%0.36436%0.359SS..  trans-85.8-14.517400000113.9G136 N156 A160A134-G136 PolarHBondContact O-N 2.89Å; A134-N156 HydrophobicContact CB-CB 3.94Å; A134-N156 WeakPolarHBondContact CB-O 3.46Å; A134-A160 HydrophobicContact CB-CB 3.64Å
135V54.3Low73.2Confident85 Ų8569 Ų6952%0.51535%0.353SS..SBendtrans-82.6110-176.4-1740000111.6H137 N156V135-H137 VanDerWaalsContact C-N 3.31Å; V135-H137 PolarHBondContact O-N 3.12Å; V135-N156 HydrophobicContact CG2-CB 4.25Å; V135-N156 WeakPolarHBondContact CG2-ND2 3.38Å
136G52Low73Confident61 Ų6171.1 Ų71.163%0.62936%0.364SS*.SBendtrans82.8-34.2152.500000117A134A134-G136 PolarHBondContact O-N 2.89Å
137H53.9Low72.7Confident145 Ų14565.4 Ų65.467%0.67134%0.341SS*.SBendtrans-157.8152.3174.3-67.5-69.4000108.8V135 Q139V135-H137 VanDerWaalsContact C-N 3.31Å; V135-H137 PolarHBondContact O-N 3.12Å; H137-Q139 HydrophobicContact CB-CG 4.14Å; H137-Q139 PolarHBondContact O-N 3.4Å
138K56.5Low72.2Confident202 Ų20272.1 Ų72.188%0.87837%0.373SS*.  trans-60.460.8175.5-65.3-178.9177.5-176.90112.7
139Q65.9Low71.5Confident77 Ų7774 Ų7436%0.3639%0.385SS..  trans-95.5131.8179.7-68.7-174.28.200108.2M133 H137M133-Q139 WeakPolarHBondContact CB-O 3.44Å; M133-Q139 PolarHBondContact N-O 3.13Å; H137-Q139 HydrophobicContact CB-CG 4.14Å; H137-Q139 PolarHBondContact O-N 3.4Å
140K74.6Confident70.9Confident110 Ų11072.1 Ų72.148%0.47838%0.379SS..EExtended strand (participates in β ladder)trans-89.6131.7177.3-62.6165.3168.1-125.10107.6E130E130-K140 HydrophobicContact CG-CB 4.01Å; E130-K140 HydrophobicContact CG-CD 4.49Å; E130-K140 HydrophobicContact CG-CG 4.3Å; E130-K140 WeakPolarHBondContact OE1-CD 3.25Å; E130-K140 WeakPolarHBondContact OE1-CE 3.45Å; E130-K140 WeakPolarHBondContact OE1-CG 3.39Å; E130-K140 IonicContact OE1-NZ 3.04Å; E130-K140 PolarHBondContact OE1-NZ 3.48Å; E130-K140 IonicContact OE2-NZ 3.39Å; E130-K140 PolarHBondContact OE2-NZ 2.99Å
141V81.7Confident69.9Low3 Ų376.4 Ų76.42%0.01840%0.399CS..EExtended strand (participates in β ladder)trans-111.1152.9169.1-72.60000110.1A98 V131 M133 L153A98-V141 HydrophobicContact CB-CB 3.79Å; A98-V141 HydrophobicContact CB-CG2 3.83Å; V131-V141 HydrophobicContact CB-CG2 4.06Å; V131-V141 PolarHBondContact N-O 3.33Å; V131-V141 VanDerWaalsContact O-CG2 3.28Å; V131-V141 WeakPolarHBondContact O-CG2 2.98Å; V131-V141 PolarHBondContact O-N 3.3Å; M133-V141 HydrophobicContact CG-CB 4.13Å; M133-V141 HydrophobicContact CG-CG1 3.44Å; M133-V141 VanDerWaalsContact CG-CG1 3.44Å; M133-V141 HydrophobicContact CG-CG2 3.63Å; M133-V141 HydrophobicContact SD-CB 4.48Å; M133-V141 HydrophobicContact SD-CG1 3.25Å; M133-V141 WeakPolarHBondContact SD-CG1 3.26Å; V141-L153 HydrophobicContact CG2-CD1 4.25Å; V141-L153 HydrophobicContact CG2-CD2 3.99Å
142Y83.9Confident69.4Low23 Ų2383.2 Ų83.29%0.0943%0.427CS..EExtended strand (participates in β ladder)trans-116.5128.8-175.7-58.6-80.9000109.3A99 I104 L119 I123 I128 K129 E130A99-Y142 PolarHBondContact N-O 3.1Å; A99-Y142 PolarHBondContact O-N 3.43Å; I104-Y142 HydrophobicContact CD1-CD2 3.99Å; L119-Y142 HydrophobicContact CB-CE1 4.38Å; L119-Y142 HydrophobicContact CD1-CD2 3.97Å; L119-Y142 HydrophobicContact CD1-CE1 4.13Å; L119-Y142 HydrophobicContact CD1-CE2 3.47Å; L119-Y142 VanDerWaalsContact CD1-CE2 3.47Å; L119-Y142 HydrophobicContact CD1-CG 4.49Å; L119-Y142 HydrophobicContact CD2-CD1 4.01Å; L119-Y142 HydrophobicContact CD2-CD2 4.02Å; L119-Y142 HydrophobicContact CD2-CE1 4.31Å; L119-Y142 HydrophobicContact CD2-CE2 4.32Å; L119-Y142 HydrophobicContact CD2-CG 3.86Å; L119-Y142 HydrophobicContact CG-CE2 4.47Å; I123-Y142 HydrophobicContact CD1-CD1 4.45Å; I123-Y142 HydrophobicContact CD1-CE1 4.09Å; I128-Y142 HydrophobicContact CD1-CD1 4.18Å; K129-Y142 WeakPolarHBondContact O-CA 3.19Å; E130-Y142 HydrophobicContact CB-CD1 4.4Å; E130-Y142 HydrophobicContact CB-CE1 4.21Å; E130-Y142 HydrophobicContact CG-CD1 4.4Å; E130-Y142 HydrophobicContact CG-CE1 3.91Å
143L84.7Confident69.1Low0 Ų079.8 Ų79.80%040%0.404CS..EExtended strand (participates in β ladder)trans-124.5152-179.2-173.660.7000109.4G95 A98 I128 K129 V131 L147 P149G95-L143 WeakPolarHBondContact O-CD1 3.11Å; A98-L143 HydrophobicContact CB-CB 4.21Å; A98-L143 HydrophobicContact CB-CD1 4.27Å; I128-L143 CarbonylContact C-O 3.57Å; I128-L143 VanDerWaalsContact CA-O 3.25Å; I128-L143 WeakPolarHBondContact CA-O 3.44Å; I128-L143 WeakPolarHBondContact CB-O 3.28Å; K129-L143 HydrophobicContact CG-CB 4.21Å; K129-L143 PolarHBondContact N-O 2.83Å; K129-L143 PolarHBondContact O-N 3.43Å; V131-L143 HydrophobicContact CG2-CB 4.48Å; L143-L147 HydrophobicContact CD1-CB 3.87Å; L143-L147 HydrophobicContact CD1-CD1 4.26Å; L143-L147 HydrophobicContact CD2-CB 4.25Å; L143-L147 WeakPolarHBondContact CD2-O 3.37Å; L143-L147 HydrophobicContact CG-CB 3.99Å; L143-P149 HydrophobicContact CD2-CB 4.17Å
144L84.5Confident68.7Low14 Ų1478.6 Ų78.67%0.07340%0.402CS..EExtended strand (participates in β ladder)trans-60.9145.6169.8-69.9174000109.9Y88 I91 R92 I128 E146 L147Y88-L144 HydrophobicContact CD2-CD2 4.08Å; Y88-L144 HydrophobicContact CE2-CD2 3.34Å; I91-L144 HydrophobicContact CG2-CD2 4.41Å; I91-L144 HydrophobicContact CG2-CG 4.34Å; R92-L144 HydrophobicContact CB-CD1 4Å; R92-L144 HydrophobicContact CG-CD1 4.02Å; I128-L144 HydrophobicContact CG2-CD2 4.45Å; L144-E146 PolarHBondContact O-N 2.93Å; L144-L147 HydrophobicContact CB-CB 4.37Å; L144-L147 HydrophobicContact CB-CD1 4.04Å; L144-L147 HydrophobicContact CB-CG 4.14Å; L144-L147 HydrophobicContact CD1-CD1 3.86Å; L144-L147 HydrophobicContact CD1-CG 4.5Å; L144-L147 HydrophobicContact CG-CD1 4.34Å; L144-L147 PolarHBondContact O-N 3.36Å
145M80.4Confident68.4Low99 Ų9979 Ų7949%0.48841%0.405SS..THydrogen-bonded Turntrans-60.1-37.3-176.8-174.244.1-124.500111.9M127 K129 L147M127-M145 PolarHBondContact O-N 3.43Å; M127-M145 VanDerWaalsContact O-N 3.17Å; K129-M145 HydrophobicContact CB-SD 4.18Å; K129-M145 HydrophobicContact CD-SD 3.94Å; K129-M145 HydrophobicContact CG-SD 4.46Å; K129-M145 PolarHBondContact NZ-O 3.29Å; M145-L147 VanDerWaalsContact C-N 3.33Å; M145-L147 PolarHBondContact O-N 2.67Å
146E78.8Confident68.3Low133 Ų13378.7 Ų78.762%0.62140%0.401SS*.THydrogen-bonded Turntrans-73.9-18.8-178.1-65.9169.7164.300114.3K75 L144K75-E146 IonicContact NZ-OE1 2.55Å; K75-E146 PolarHBondContact NZ-OE1 3.05Å; K75-E146 IonicContact NZ-OE2 3.16Å; K75-E146 PolarHBondContact NZ-OE2 2.99Å; K75-E146 VanDerWaalsContact NZ-OE2 3.16Å; L144-E146 PolarHBondContact O-N 2.93Å
147L76.1Confident68.4Low52 Ų5278.3 Ų78.327%0.27239%0.387SS..PPolyproline II helixtrans-95.1141.6-175.8-68.6176.7000111.2K129 L143 L144 M145K129-L147 WeakPolarHBondContact CE-O 3.34Å; K129-L147 PolarHBondContact NZ-O 3.43Å; L143-L147 HydrophobicContact CD1-CB 3.87Å; L143-L147 HydrophobicContact CD1-CD1 4.26Å; L143-L147 HydrophobicContact CD2-CB 4.25Å; L143-L147 WeakPolarHBondContact CD2-O 3.37Å; L143-L147 HydrophobicContact CG-CB 3.99Å; L144-L147 HydrophobicContact CB-CB 4.37Å; L144-L147 HydrophobicContact CB-CD1 4.04Å; L144-L147 HydrophobicContact CB-CG 4.14Å; L144-L147 HydrophobicContact CD1-CD1 3.86Å; L144-L147 HydrophobicContact CD1-CG 4.5Å; L144-L147 HydrophobicContact CG-CD1 4.34Å; L144-L147 PolarHBondContact O-N 3.36Å; M145-L147 VanDerWaalsContact C-N 3.33Å; M145-L147 PolarHBondContact O-N 2.67Å
148E71.1Confident68.5Low161 Ų16173.6 Ų73.675%0.75237%0.366SS*.PPolyproline II helixtrans-88.3143.8168.6-66.7-174.3161.500109.9
149P72.6Confident68.3Low43 Ų4365.6 Ų65.628%0.27933%0.331SS..PPolyproline II helixtrans-62.5140.5177.927.5-34000109.9L143 L153 A154L143-P149 HydrophobicContact CD2-CB 4.17Å; P149-L153 HydrophobicContact CB-CB 4.22Å; P149-L153 HydrophobicContact CB-CD2 3.74Å; P149-L153 HydrophobicContact CB-CG 4.16Å; P149-A154 HydrophobicContact CG-CB 4.4Å
150S69.4Low67.6Low15 Ų1563.2 Ų63.211%0.10533%0.325CS..PPolyproline II helixtrans-56.2151.1176.569.50000111.4E96 D97 K152 L153 A154E96-S150 PolarHBondContact O-N 2.87Å; D97-S150 PolarHBondContact OD1-OG 2.83Å; S150-K152 PolarHBondContact O-N 2.83Å; S150-L153 CarbonylContact O-C 3.49Å; S150-L153 WeakPolarHBondContact O-CA 2.91Å; S150-L153 WeakPolarHBondContact O-CB 3.41Å; S150-L153 PolarHBondContact O-N 3.14Å; S150-A154 PolarHBondContact O-N 3.29Å
151E63.6Low66.5Low172 Ų17260 Ų6080%0.80432%0.323SS*.Hα-helixtrans-54-30.5178.7-72-174.3170.600112.5L153 A154 A155E151-L153 VanDerWaalsContact C-N 3.3Å; E151-L153 PolarHBondContact O-N 3.05Å; E151-A154 PolarHBondContact O-N 2.93Å; E151-A155 WeakPolarHBondContact O-CA 3.4Å; E151-A155 WeakPolarHBondContact O-CB 3.15Å; E151-A155 PolarHBondContact O-N 3.2Å
152K65.1Low64.9Low166 Ų16668.7 Ų68.772%0.72237%0.369SS*.Hα-helixtrans-65.1-36.6175.4-64.4178-176.6170.60112.1S150 N156S150-K152 PolarHBondContact O-N 2.83Å; K152-N156 PolarHBondContact O-ND2 3.04Å
153L62.4Low63.4Low15 Ų1572.8 Ų72.88%0.07940%0.402CS..Hα-helixtrans-78.2-41176-172.562.6000110.6A98 M133 V141 P149 S150 E151A98-L153 HydrophobicContact CB-CD2 3.73Å; M133-L153 HydrophobicContact CE-CD1 4.15Å; M133-L153 HydrophobicContact CG-CD1 3.96Å; V141-L153 HydrophobicContact CG2-CD1 4.25Å; V141-L153 HydrophobicContact CG2-CD2 3.99Å; P149-L153 HydrophobicContact CB-CB 4.22Å; P149-L153 HydrophobicContact CB-CD2 3.74Å; P149-L153 HydrophobicContact CB-CG 4.16Å; S150-L153 CarbonylContact O-C 3.49Å; S150-L153 WeakPolarHBondContact O-CA 2.91Å; S150-L153 WeakPolarHBondContact O-CB 3.41Å; S150-L153 PolarHBondContact O-N 3.14Å; E151-L153 VanDerWaalsContact C-N 3.3Å; E151-L153 PolarHBondContact O-N 3.05Å
154A56.1Low62.1Low30 Ų3074.2 Ų74.225%0.24842%0.416CS..Hα-helixtrans-73.9-41.2-178.100000114.3P149 S150 E151 N156 T157P149-A154 HydrophobicContact CG-CB 4.4Å; S150-A154 PolarHBondContact O-N 3.29Å; E151-A154 PolarHBondContact O-N 2.93Å; A154-N156 PolarHBondContact O-N 3.39Å; A154-N156 VanDerWaalsContact O-N 3.14Å; A154-T157 WeakPolarHBondContact O-CB 3.33Å; A154-T157 PolarHBondContact O-N 3.34Å; A154-T157 PolarHBondContact O-OG1 2.85Å
155A48.4Very low61.1Low52 Ų5278.3 Ų78.343%0.4344%0.441SS..G310 helixtrans-59.9-28.2179.900000112.2E151 T157E151-A155 WeakPolarHBondContact O-CA 3.4Å; E151-A155 WeakPolarHBondContact O-CB 3.15Å; E151-A155 PolarHBondContact O-N 3.2Å; A155-T157 PolarHBondContact O-N 3.28Å
156N52.7Low60.8Low79 Ų7977.2 Ų77.242%0.42244%0.438SS..G310 helixtrans-75.2-10.8175.4-68.5-41.8000113.1A134 V135 K152 A154A134-N156 HydrophobicContact CB-CB 3.94Å; A134-N156 WeakPolarHBondContact CB-O 3.46Å; V135-N156 HydrophobicContact CG2-CB 4.25Å; V135-N156 WeakPolarHBondContact CG2-ND2 3.38Å; K152-N156 PolarHBondContact O-ND2 3.04Å; A154-N156 PolarHBondContact O-N 3.39Å; A154-N156 VanDerWaalsContact O-N 3.14Å
157T54.2Low60.9Low53 Ų5374.4 Ų74.433%0.32544%0.437SS..G310 helixtrans-93.1-16.8-175.766.50000115A154 A155 F159 A160A154-T157 WeakPolarHBondContact O-CB 3.33Å; A154-T157 PolarHBondContact O-N 3.34Å; A154-T157 PolarHBondContact O-OG1 2.85Å; A155-T157 PolarHBondContact O-N 3.28Å; T157-F159 PolarHBondContact O-N 3.16Å; T157-A160 CarbonylContact O-C 3.49Å; T157-A160 PolarHBondContact O-N 3.4Å
158L55.2Low61.2Low46 Ų4678.9 Ų78.924%0.24146%0.457CS..SBendtrans-60.9-32.7-175.3-82.8137.4000113.3V220 S221 T223 D226L158-V220 HydrophobicContact CD2-CG1 4.25Å; L158-S221 WeakPolarHBondContact CD2-O 3.16Å; L158-T223 HydrophobicContact CD1-CG2 4.34Å; L158-D226 WeakPolarHBondContact CD1-OD1 3.42Å; L158-D226 WeakPolarHBondContact CD1-OD2 3.13Å
159F53Low61.6Low34 Ų3473.2 Ų73.215%0.14943%0.43CS..SBendtrans-87.5-26.1172.1-59.3-69.3000112.4T157 G161 V165 D166 I170 D226 C229 V230T157-F159 PolarHBondContact O-N 3.16Å; F159-G161 PolarHBondContact O-N 3.14Å; F159-V165 HydrophobicContact CB-CG1 4.19Å; F159-V165 HydrophobicContact CB-CG2 4.25Å; F159-V165 CarbonylContact O-C 3.46Å; F159-V165 WeakPolarHBondContact O-CA 3.41Å; F159-D166 PolarHBondContact O-N 2.85Å; F159-I170 HydrophobicContact CB-CD1 4.48Å; F159-I170 HydrophobicContact CD1-CD1 3.69Å; F159-I170 HydrophobicContact CD1-CG1 3.62Å; F159-I170 HydrophobicContact CE1-CD1 4.33Å; F159-I170 HydrophobicContact CE1-CG1 4.03Å; F159-I170 HydrophobicContact CG-CD1 4.33Å; F159-D226 HydrophobicContact CZ-CB 4.31Å; F159-C229 HydrophobicContact CZ-CB 4.47Å; F159-V230 HydrophobicContact CE1-CG2 4.11Å; F159-V230 HydrophobicContact CZ-CG2 4.18Å
160A50.7Low62.2Low28 Ų2873.6 Ų73.623%0.23143%0.429CS..EExtended strand (participates in β ladder)trans-86.990.3-174.300000111A134 T157 G164A134-A160 HydrophobicContact CB-CB 3.64Å; T157-A160 CarbonylContact O-C 3.49Å; T157-A160 PolarHBondContact O-N 3.4Å; A160-G164 CarbonylContact C-O 3.53Å; A160-G164 WeakPolarHBondContact CA-O 3.43Å
161G51.9Low63.1Low42 Ų4276.1 Ų76.143%0.43345%0.447SS..EExtended strand (participates in β ladder)trans-61.7-178.1160.200000111.6F159 S163 G164F159-G161 PolarHBondContact O-N 3.14Å; G161-S163 PolarHBondContact O-N 2.82Å; G161-G164 PolarHBondContact N-O 3.04Å; G161-G164 PolarHBondContact O-N 3.45Å
162D49Very low64.2Low185 Ų18571.7 Ų71.799%0.98943%0.428SS*.THydrogen-bonded Turntrans-53-19.5-177.4-74.2-25.9000114.7
163S52.1Low65.4Low110 Ų11063.8 Ų63.877%0.76939%0.393SS*.THydrogen-bonded Turntrans-114.9-1.2-177.761.40000115.1G161G161-S163 PolarHBondContact O-N 2.82Å
164G57.4Low66.8Low30 Ų3066.9 Ų66.931%0.30940%0.404SS..EExtended strand (participates in β ladder)trans120.7-161.9-173.800000112.5A160 G161 D166A160-G164 CarbonylContact C-O 3.53Å; A160-G164 WeakPolarHBondContact CA-O 3.43Å; G161-G164 PolarHBondContact N-O 3.04Å; G161-G164 PolarHBondContact O-N 3.45Å; G164-D166 PolarHBondContact O-N 3.1Å
165V62.9Low68.6Low99 Ų9969.5 Ų69.560%0.642%0.417SS*.EExtended strand (participates in β ladder)trans-60.4116.7-176174.60000111.3F159 A167 I170F159-V165 HydrophobicContact CB-CG1 4.19Å; F159-V165 HydrophobicContact CB-CG2 4.25Å; F159-V165 CarbonylContact O-C 3.46Å; F159-V165 WeakPolarHBondContact O-CA 3.41Å; V165-A167 PolarHBondContact O-N 3.22Å; V165-A167 VanDerWaalsContact O-N 3.1Å; V165-I170 HydrophobicContact CG1-CD1 3.22Å; V165-I170 HydrophobicContact CG1-CG1 4.48Å
166D73.7Confident70.6Confident76 Ų7667.5 Ų67.541%0.40640%0.401SS..  trans-74.698.3177.4-172-22.3000110.5F159 G164 E168 F169 I170F159-D166 PolarHBondContact O-N 2.85Å; G164-D166 PolarHBondContact O-N 3.1Å; D166-E168 VanDerWaalsContact C-N 3.31Å; D166-E168 PolarHBondContact O-N 3.21Å; D166-E168 PolarHBondContact OD1-N 2.88Å; D166-F169 HydrophobicContact CB-CB 3.81Å; D166-F169 VanDerWaalsContact CG-CB 3.47Å; D166-F169 PolarHBondContact O-N 2.64Å; D166-F169 PolarHBondContact OD1-N 2.87Å; D166-I170 WeakPolarHBondContact O-CG1 3.46Å; D166-I170 PolarHBondContact O-N 2.98Å
167A80.4Confident72.6Confident75 Ų7563.8 Ų63.862%0.6238%0.381SS*.Hα-helixtrans-66.4-31.5-178.100000113V165 S171V165-A167 PolarHBondContact O-N 3.22Å; V165-A167 VanDerWaalsContact O-N 3.1Å; A167-S171 WeakPolarHBondContact O-CB 3.45Å; A167-S171 PolarHBondContact O-N 3.36Å
168E82.3Confident74.5Confident145 Ų14562.6 Ų62.668%0.67837%0.372SS*.Hα-helixtrans-71.2-45.2178.8-173.4176-176.800109.8D166 I170 S171 I172D166-E168 VanDerWaalsContact C-N 3.31Å; D166-E168 PolarHBondContact O-N 3.21Å; D166-E168 PolarHBondContact OD1-N 2.88Å; E168-I170 PolarHBondContact O-N 2.9Å; E168-S171 WeakPolarHBondContact O-CB 3.32Å; E168-S171 PolarHBondContact O-N 3.46Å; E168-S171 VanDerWaalsContact O-N 3.15Å; E168-I172 HydrophobicContact CG-CD1 4.18Å; E168-I172 WeakPolarHBondContact O-CG1 3.46Å; E168-I172 PolarHBondContact O-N 3.18Å
169F81.3Confident76.3Confident42 Ų4266.1 Ų66.118%0.18439%0.386CS..Hα-helixtrans-57.4-47.9174.1-179.2-105.6000112D166 S171 I172 L173 C218 M222D166-F169 HydrophobicContact CB-CB 3.81Å; D166-F169 VanDerWaalsContact CG-CB 3.47Å; D166-F169 PolarHBondContact O-N 2.64Å; D166-F169 PolarHBondContact OD1-N 2.87Å; F169-S171 VanDerWaalsContact C-N 3.3Å; F169-S171 PolarHBondContact O-N 3.19Å; F169-I172 PolarHBondContact O-N 2.83Å; F169-L173 HydrophobicContact CE1-CD2 4.36Å; F169-L173 WeakPolarHBondContact O-CB 3.35Å; F169-L173 PolarHBondContact O-N 3.36Å; F169-C218 HydrophobicContact CE2-CB 3.96Å; F169-C218 WeakPolarHBondContact CE2-SG 3.33Å; F169-C218 HydrophobicContact CZ-CB 4.24Å; F169-M222 HydrophobicContact CZ-SD 4.19Å
170I84.5Confident78.3Confident51 Ų5166.4 Ų66.426%0.26239%0.386SS..Hα-helixtrans-60.8-41.4176.7-69.7175000111.1F159 V165 D166 E168 L173 R174F159-I170 HydrophobicContact CB-CD1 4.48Å; F159-I170 HydrophobicContact CD1-CD1 3.69Å; F159-I170 HydrophobicContact CD1-CG1 3.62Å; F159-I170 HydrophobicContact CE1-CD1 4.33Å; F159-I170 HydrophobicContact CE1-CG1 4.03Å; F159-I170 HydrophobicContact CG-CD1 4.33Å; V165-I170 HydrophobicContact CG1-CD1 3.22Å; V165-I170 HydrophobicContact CG1-CG1 4.48Å; D166-I170 WeakPolarHBondContact O-CG1 3.46Å; D166-I170 PolarHBondContact O-N 2.98Å; E168-I170 PolarHBondContact O-N 2.9Å; I170-L173 PolarHBondContact O-N 3.03Å; I170-R174 VanDerWaalsContact O-CB 3.25Å; I170-R174 WeakPolarHBondContact O-CB 3.42Å; I170-R174 PolarHBondContact O-N 3.45Å
171S87.5Confident80.5Confident68 Ų6865.1 Ų65.148%0.47638%0.375SS..Hα-helixtrans-62.6-43.2178-174.30000111.9A167 E168 F169 R174 T175A167-S171 WeakPolarHBondContact O-CB 3.45Å; A167-S171 PolarHBondContact O-N 3.36Å; E168-S171 WeakPolarHBondContact O-CB 3.32Å; E168-S171 PolarHBondContact O-N 3.46Å; E168-S171 VanDerWaalsContact O-N 3.15Å; F169-S171 VanDerWaalsContact C-N 3.3Å; F169-S171 PolarHBondContact O-N 3.19Å; S171-R174 PolarHBondContact O-N 2.85Å; S171-T175 WeakPolarHBondContact O-CB 3.16Å; S171-T175 PolarHBondContact O-N 3.45Å; S171-T175 PolarHBondContact O-OG1 3.01Å; S171-T175 VanDerWaalsContact O-OG1 3.14Å
172I88.3Confident82.5Confident79 Ų7967.8 Ų67.841%0.40538%0.376SS..Hα-helixtrans-61.5-47.7176.5-68.6165000110.1E168 F169 R174 T175 A176 I217E168-I172 HydrophobicContact CG-CD1 4.18Å; E168-I172 WeakPolarHBondContact O-CG1 3.46Å; E168-I172 PolarHBondContact O-N 3.18Å; F169-I172 PolarHBondContact O-N 2.83Å; I172-R174 PolarHBondContact O-N 3.2Å; I172-T175 PolarHBondContact O-N 2.94Å; I172-A176 PolarHBondContact O-N 3.12Å; I172-I217 HydrophobicContact CG2-CG2 3.67Å
173L89.3Confident84.7Confident1 Ų162.5 Ų62.51%0.00535%0.348CS..Hα-helixtrans-62.5-44.2-179.8179.857000111.9F169 I170 T175 A176 C177 I212 M222 V230F169-L173 HydrophobicContact CE1-CD2 4.36Å; F169-L173 WeakPolarHBondContact O-CB 3.35Å; F169-L173 PolarHBondContact O-N 3.36Å; I170-L173 PolarHBondContact O-N 3.03Å; L173-T175 PolarHBondContact O-N 3.23Å; L173-A176 PolarHBondContact O-N 2.98Å; L173-C177 PolarHBondContact O-N 3.45Å; L173-C177 PolarHBondContact O-SG 3.38Å; L173-C177 VanDerWaalsContact O-SG 3.33Å; L173-I212 HydrophobicContact CD1-CD1 3.69Å; L173-I212 HydrophobicContact CD1-CG1 4.43Å; L173-I212 HydrophobicContact CD1-CG2 4.31Å; L173-M222 HydrophobicContact CD1-CE 3.62Å; L173-M222 HydrophobicContact CD1-SD 3.95Å; L173-M222 HydrophobicContact CD2-CE 3.28Å; L173-M222 HydrophobicContact CD2-SD 4.28Å; L173-M222 HydrophobicContact CG-CE 4.1Å; L173-V230 HydrophobicContact CD2-CB 4.38Å; L173-V230 HydrophobicContact CD2-CG2 3.52Å; L173-V230 HydrophobicContact CG-CG1 4.31Å; L173-V230 HydrophobicContact CG-CG2 4.1Å
174R92Very high86.7Confident80 Ų8060 Ų6030%0.30232%0.323SS..Hα-helixtrans-56.9-48.2173.1165.7167.2166.2120.63.6111.5I170 S171 I172 A176 C177 L178 V230 L234 E239I170-R174 VanDerWaalsContact O-CB 3.25Å; I170-R174 WeakPolarHBondContact O-CB 3.42Å; I170-R174 PolarHBondContact O-N 3.45Å; S171-R174 PolarHBondContact O-N 2.85Å; I172-R174 PolarHBondContact O-N 3.2Å; R174-A176 VanDerWaalsContact C-N 3.33Å; R174-A176 PolarHBondContact O-N 3.31Å; R174-C177 PolarHBondContact O-N 3.25Å; R174-L178 HydrophobicContact CG-CD1 4.07Å; R174-L178 WeakPolarHBondContact O-CG 3.44Å; R174-L178 PolarHBondContact O-N 3.24Å; R174-V230 HydrophobicContact CB-CG1 4.4Å; R174-L234 HydrophobicContact CG-CD1 4.49Å; R174-L234 HydrophobicContact CG-CD2 3.54Å; R174-L234 HydrophobicContact CG-CG 4.35Å; R174-L234 VanDerWaalsContact CZ-CD2 3.48Å; R174-E239 IonicContact CZ-OE1 3.18Å; R174-E239 IonicContact NH1-OE1 2.85Å; R174-E239 PolarHBondContact NH1-OE1 3.27Å; R174-E239 IonicContact NH1-OE2 3.51Å; R174-E239 IonicContact NH2-OE1 2.62Å; R174-E239 PolarHBondContact NH2-OE1 3.45Å
175T92.8Very high88.4Confident84 Ų8460.2 Ų60.252%0.51532%0.322SS..Hα-helixtrans-62.6-40177.7-660000111.7S171 I172 L173 L178 K179S171-T175 WeakPolarHBondContact O-CB 3.16Å; S171-T175 PolarHBondContact O-N 3.45Å; S171-T175 PolarHBondContact O-OG1 3.01Å; S171-T175 VanDerWaalsContact O-OG1 3.14Å; I172-T175 PolarHBondContact O-N 2.94Å; L173-T175 PolarHBondContact O-N 3.23Å; T175-L178 PolarHBondContact O-N 3.08Å; T175-K179 VanDerWaalsContact O-CB 3.28Å; T175-K179 WeakPolarHBondContact O-CB 3.43Å; T175-K179 PolarHBondContact O-N 3.32Å
176A92.4Very high89.9Confident11 Ų1160.2 Ų60.29%0.09132%0.318CS..Hα-helixtrans-63.3-46.417700000112.2I172 L173 R174 K179 Y180 I217I172-A176 PolarHBondContact O-N 3.12Å; L173-A176 PolarHBondContact O-N 2.98Å; R174-A176 VanDerWaalsContact C-N 3.33Å; R174-A176 PolarHBondContact O-N 3.31Å; A176-K179 PolarHBondContact O-N 2.83Å; A176-Y180 PolarHBondContact O-N 2.74Å; A176-I217 HydrophobicContact CB-CD1 3.77Å
177C93.9Very high90.8Very high0 Ų060.5 Ų60.50%033%0.325CS..Hα-helixtrans-59.1-48.1175.5-69.30000111.7L173 R174 Y180 L181 L231 L234L173-C177 PolarHBondContact O-N 3.45Å; L173-C177 PolarHBondContact O-SG 3.38Å; L173-C177 VanDerWaalsContact O-SG 3.33Å; R174-C177 PolarHBondContact O-N 3.25Å; C177-Y180 PolarHBondContact O-N 3.48Å; C177-L181 WeakPolarHBondContact O-CG 3.32Å; C177-L181 PolarHBondContact O-N 3.01Å; C177-L181 VanDerWaalsContact O-N 3.13Å; C177-L231 HydrophobicContact CB-CD2 4.26Å; C177-L234 HydrophobicContact CB-CD1 3.94Å
178L94.2Very high91.4Very high28 Ų2857.1 Ų57.115%0.14730%0.298CS..Hα-helixtrans-63.1-43.6179.1-73.4172.9000111.8R174 T175 Y180 L181 Q182 L234 E239 L240 L261R174-L178 HydrophobicContact CG-CD1 4.07Å; R174-L178 WeakPolarHBondContact O-CG 3.44Å; R174-L178 PolarHBondContact O-N 3.24Å; T175-L178 PolarHBondContact O-N 3.08Å; L178-Y180 PolarHBondContact O-N 3.23Å; L178-L181 PolarHBondContact O-N 3Å; L178-Q182 WeakPolarHBondContact O-CB 3.04Å; L178-Q182 VanDerWaalsContact O-CG 3.26Å; L178-Q182 WeakPolarHBondContact O-CG 3.48Å; L178-Q182 PolarHBondContact O-N 3.33Å; L178-L234 HydrophobicContact CD1-CD2 4.02Å; L178-L234 HydrophobicContact CD2-CD1 4.41Å; L178-L234 HydrophobicContact CD2-CD2 4.09Å; L178-L234 HydrophobicContact CG-CD1 4.29Å; L178-L234 HydrophobicContact CG-CD2 4.05Å; L178-E239 HydrophobicContact CD2-CB 4.04Å; L178-L240 HydrophobicContact CD2-CD2 4.17Å; L178-L261 HydrophobicContact CD2-CD2 4.06Å
179K93.7Very high91.9Very high121 Ų12153.1 Ų53.153%0.52629%0.286SS..Hα-helixtrans-59.7-45.8177.6-178.8173.3-179.2172.90111.5T175 A176 L181 Q182 D183T175-K179 VanDerWaalsContact O-CB 3.28Å; T175-K179 WeakPolarHBondContact O-CB 3.43Å; T175-K179 PolarHBondContact O-N 3.32Å; A176-K179 PolarHBondContact O-N 2.83Å; K179-L181 VanDerWaalsContact C-N 3.32Å; K179-L181 PolarHBondContact O-N 3.11Å; K179-Q182 WeakPolarHBondContact O-CB 2.99Å; K179-Q182 PolarHBondContact O-N 3.15Å; K179-D183 PolarHBondContact O-N 3.34Å
180Y94.8Very high92.4Very high40 Ų4058.6 Ų58.616%0.15731%0.311CS..Hα-helixtrans-59.2-44.5177.5-174.4-99.8000112.2A176 C177 L178 Q182 D183 K184 V203 E207 I208 F211A176-Y180 PolarHBondContact O-N 2.74Å; C177-Y180 PolarHBondContact O-N 3.48Å; L178-Y180 PolarHBondContact O-N 3.23Å; Y180-Q182 VanDerWaalsContact C-N 3.34Å; Y180-D183 PolarHBondContact O-N 3.4Å; Y180-K184 WeakPolarHBondContact O-CB 3.15Å; Y180-K184 PolarHBondContact O-N 3.16Å; Y180-V203 HydrophobicContact CD1-CG1 4.26Å; Y180-V203 HydrophobicContact CE1-CG1 3.64Å; Y180-V203 HydrophobicContact CE1-CG2 4.27Å; Y180-E207 HydrophobicContact CE1-CG 4.28Å; Y180-E207 WeakPolarHBondContact OH-CG 3.19Å; Y180-E207 PolarHBondContact OH-OE1 3.31Å; Y180-I208 HydrophobicContact CD1-CG1 3.95Å; Y180-I208 HydrophobicContact CE1-CG1 4.24Å; Y180-F211 HydrophobicContact CD2-CB 3.84Å; Y180-F211 AromaticContact CD2-CD1 3.49Å; Y180-F211 HydrophobicContact CD2-CD1 3.49Å; Y180-F211 VanDerWaalsContact CD2-CD1 3.49Å; Y180-F211 AromaticContact CD2-CD2 3.37Å; Y180-F211 HydrophobicContact CD2-CD2 3.37Å; Y180-F211 AromaticContact CD2-CE1 3.8Å; Y180-F211 HydrophobicContact CD2-CE1 3.8Å; Y180-F211 AromaticContact CD2-CE2 3.68Å; Y180-F211 HydrophobicContact CD2-CE2 3.68Å; Y180-F211 AromaticContact CD2-CG 3.25Å; Y180-F211 HydrophobicContact CD2-CG 3.25Å; Y180-F211 AromaticContact CD2-CZ 3.88Å; Y180-F211 HydrophobicContact CD2-CZ 3.88Å; Y180-F211 HydrophobicContact CE2-CB 3.75Å; Y180-F211 HydrophobicContact CE2-CD1 4.27Å; Y180-F211 AromaticContact CE2-CD2 3.53Å; Y180-F211 HydrophobicContact CE2-CD2 3.53Å; Y180-F211 HydrophobicContact CE2-CE2 4.16Å; Y180-F211 AromaticContact CE2-CG 3.58Å; Y180-F211 HydrophobicContact CE2-CG 3.58Å; Y180-F211 HydrophobicContact CG-CB 4.43Å; Y180-F211 AromaticContact CG-CD1 3.84Å; Y180-F211 HydrophobicContact CG-CD1 3.84Å; Y180-F211 HydrophobicContact CG-CD2 4.47Å; Y180-F211 HydrophobicContact CG-CE1 4.17Å; Y180-F211 AromaticContact CG-CG 3.99Å; Y180-F211 HydrophobicContact CG-CG 3.99Å
181L95.1Very high92.9Very high1 Ų158.5 Ų58.51%0.00531%0.311CS..Hα-helixtrans-68.6-32.8178.1-70166.5000112.4C177 L178 K179 A185 V203 I208 L231 L240 L261C177-L181 WeakPolarHBondContact O-CG 3.32Å; C177-L181 PolarHBondContact O-N 3.01Å; C177-L181 VanDerWaalsContact O-N 3.13Å; L178-L181 PolarHBondContact O-N 3Å; K179-L181 VanDerWaalsContact C-N 3.32Å; K179-L181 PolarHBondContact O-N 3.11Å; L181-A185 VanDerWaalsContact O-CB 3.32Å; L181-A185 WeakPolarHBondContact O-CB 2.87Å; L181-A185 PolarHBondContact O-N 3.06Å; L181-V203 HydrophobicContact CD2-CB 3.87Å; L181-V203 HydrophobicContact CD2-CG2 3.8Å; L181-I208 HydrophobicContact CD1-CD1 4.31Å; L181-I208 HydrophobicContact CD2-CD1 4.15Å; L181-I208 HydrophobicContact CG-CD1 4.28Å; L181-L231 HydrophobicContact CD1-CD2 4.49Å; L181-L240 HydrophobicContact CD1-CD1 3.97Å; L181-L240 HydrophobicContact CD1-CD2 3.43Å; L181-L240 VanDerWaalsContact CD1-CD2 3.43Å; L181-L240 HydrophobicContact CD1-CG 4.37Å; L181-L261 HydrophobicContact CB-CD2 4.18Å; L181-L261 HydrophobicContact CB-CG 3.98Å
182Q94.7Very high93.1Very high97 Ų9759.5 Ų59.545%0.45332%0.324SS..Hα-helixtrans-63.9-49.8171.4-74.6172.4-13.900111.3L178 K179 Y180 K184 A185 I186 L261L178-Q182 WeakPolarHBondContact O-CB 3.04Å; L178-Q182 VanDerWaalsContact O-CG 3.26Å; L178-Q182 WeakPolarHBondContact O-CG 3.48Å; L178-Q182 PolarHBondContact O-N 3.33Å; K179-Q182 WeakPolarHBondContact O-CB 2.99Å; K179-Q182 PolarHBondContact O-N 3.15Å; Y180-Q182 VanDerWaalsContact C-N 3.34Å; Q182-K184 VanDerWaalsContact C-N 3.29Å; Q182-K184 PolarHBondContact O-N 2.98Å; Q182-A185 PolarHBondContact O-N 3.45Å; Q182-A185 VanDerWaalsContact O-N 3.12Å; Q182-I186 VanDerWaalsContact O-CG1 3.3Å; Q182-I186 WeakPolarHBondContact O-CG1 3.5Å; Q182-I186 PolarHBondContact O-N 2.95Å; Q182-L261 HydrophobicContact CB-CD1 4.17Å; Q182-L261 HydrophobicContact CG-CD1 3.57Å; Q182-L261 HydrophobicContact CG-CD2 4.45Å
183D94.6Very high93.5Very high74 Ų7458.9 Ų58.940%0.39632%0.321SS..Hα-helixtrans-61.3-39.1178.8-67.7-20.4000111.3K179 Y180 S187K179-D183 PolarHBondContact O-N 3.34Å; Y180-D183 PolarHBondContact O-N 3.4Å; D183-S187 WeakPolarHBondContact O-CB 3.38Å; D183-S187 PolarHBondContact O-N 3.27Å; D183-S187 PolarHBondContact O-OG 3.4Å
184K94.2Very high93.6Very high58 Ų5863.2 Ų63.225%0.25235%0.349SS..Hα-helixtrans-63.9-44.8173.2-164.485.6172.6-165.30112Y180 Q182 S187 A188 A200 V203 E207Y180-K184 WeakPolarHBondContact O-CB 3.15Å; Y180-K184 PolarHBondContact O-N 3.16Å; Q182-K184 VanDerWaalsContact C-N 3.29Å; Q182-K184 PolarHBondContact O-N 2.98Å; K184-S187 PolarHBondContact O-N 3.46Å; K184-A188 WeakPolarHBondContact O-CB 3.21Å; K184-A188 PolarHBondContact O-N 2.92Å; K184-A200 WeakPolarHBondContact CE-O 3.19Å; K184-V203 HydrophobicContact CB-CG2 4.13Å; K184-V203 HydrophobicContact CD-CG2 3.92Å; K184-V203 HydrophobicContact CG-CG2 3.59Å; K184-E207 IonicContact NZ-OE1 2.72Å; K184-E207 PolarHBondContact NZ-OE1 3.21Å; K184-E207 IonicContact NZ-OE2 3.89Å
185A93.3Very high93.6Very high34 Ų3465.9 Ų65.928%0.28137%0.369SS..Hα-helixtrans-64.6-39.9178.500000112.1L181 Q182 A188 S189 L261L181-A185 VanDerWaalsContact O-CB 3.32Å; L181-A185 WeakPolarHBondContact O-CB 2.87Å; L181-A185 PolarHBondContact O-N 3.06Å; Q182-A185 PolarHBondContact O-N 3.45Å; Q182-A185 VanDerWaalsContact O-N 3.12Å; A185-A188 PolarHBondContact O-N 3.45Å; A185-S189 PolarHBondContact O-N 3.06Å; A185-L261 HydrophobicContact CB-CD1 4.08Å
186I94.3Very high93.6Very high100 Ų10067.8 Ų67.851%0.51337%0.372SS..Hα-helixtrans-63.3-46.3174.2-67.3164.8000109.8Q182 A188 S189Q182-I186 VanDerWaalsContact O-CG1 3.3Å; Q182-I186 WeakPolarHBondContact O-CG1 3.5Å; Q182-I186 PolarHBondContact O-N 2.95Å; I186-A188 VanDerWaalsContact C-N 3.32Å; I186-A188 PolarHBondContact O-N 2.89Å; I186-S189 VanDerWaalsContact O-CB 3.28Å; I186-S189 WeakPolarHBondContact O-CB 3.34Å; I186-S189 PolarHBondContact O-N 2.95Å; I186-S189 PolarHBondContact O-OG 3.26Å
187S94.2Very high93.7Very high81 Ų8172.2 Ų72.257%0.56639%0.386SS*.Hα-helixtrans-60.2-42.1178.1-59.30000112D183 K184 S189D183-S187 WeakPolarHBondContact O-CB 3.38Å; D183-S187 PolarHBondContact O-N 3.27Å; D183-S187 PolarHBondContact O-OG 3.4Å; K184-S187 PolarHBondContact O-N 3.46Å; S187-S189 VanDerWaalsContact C-N 3.28Å; S187-S189 PolarHBondContact O-N 2.96Å
188A93.1Very high93.6Very high5 Ų578.2 Ų78.24%0.04141%0.409CS..Hα-helixtrans-67.4-26.3176.700000112.9K184 A185 I186 H190 I191 R197 A200K184-A188 WeakPolarHBondContact O-CB 3.21Å; K184-A188 PolarHBondContact O-N 2.92Å; A185-A188 PolarHBondContact O-N 3.45Å; I186-A188 VanDerWaalsContact C-N 3.32Å; I186-A188 PolarHBondContact O-N 2.89Å; A188-H190 PolarHBondContact O-N 3.32Å; A188-H190 VanDerWaalsContact O-N 3.09Å; A188-I191 HydrophobicContact CB-CD1 4.47Å; A188-I191 WeakPolarHBondContact O-CB 3.45Å; A188-I191 WeakPolarHBondContact O-CG1 3.37Å; A188-I191 PolarHBondContact O-N 2.84Å; A188-R197 WeakPolarHBondContact O-CG 3.32Å; A188-A200 HydrophobicContact CB-CB 3.91Å
189S91.6Very high93.4Very high60 Ų6081.3 Ų81.342%0.4242%0.423SS..Hα-helixtrans-60-23.5-17778.10000114.2A185 I186 S187 I191A185-S189 PolarHBondContact O-N 3.06Å; I186-S189 VanDerWaalsContact O-CB 3.28Å; I186-S189 WeakPolarHBondContact O-CB 3.34Å; I186-S189 PolarHBondContact O-N 2.95Å; I186-S189 PolarHBondContact O-OG 3.26Å; S187-S189 VanDerWaalsContact C-N 3.28Å; S187-S189 PolarHBondContact O-N 2.96Å; S189-I191 VanDerWaalsContact C-N 3.27Å; S189-I191 PolarHBondContact O-N 3.14Å
190H92.4Very high93.4Very high157 Ų15777.3 Ų77.373%0.72741%0.412SS*.THydrogen-bonded Turntrans-74.4-12.6176.5-64.3-70.4000113.9A188A188-H190 PolarHBondContact O-N 3.32Å; A188-H190 VanDerWaalsContact O-N 3.09Å
191I93.7Very high93.4Very high49 Ų4976.1 Ų76.125%0.25141%0.409SS..  trans-75.7125.7178.4-61.2168.2000109.2A188 S189 E196 R197 A200A188-I191 HydrophobicContact CB-CD1 4.47Å; A188-I191 WeakPolarHBondContact O-CB 3.45Å; A188-I191 WeakPolarHBondContact O-CG1 3.37Å; A188-I191 PolarHBondContact O-N 2.84Å; S189-I191 VanDerWaalsContact C-N 3.27Å; S189-I191 PolarHBondContact O-N 3.14Å; I191-E196 HydrophobicContact CG2-CB 3.71Å; I191-R197 HydrophobicContact CB-CB 4.11Å; I191-R197 HydrophobicContact CG2-CB 4.31Å; I191-R197 PolarHBondContact O-NE 2.9Å; I191-R197 PolarHBondContact O-NH2 3.18Å; I191-A200 HydrophobicContact CD1-CB 3.38Å
192A93.3Very high93.3Very high90 Ų9076.9 Ų76.974%0.74441%0.412SS*.SBendtrans-67-45.2-175.900000112.6R197A192-R197 PolarHBondContact O-NH2 3.18Å
193D95.1Very high93.3Very high65 Ų6572.3 Ų72.335%0.34839%0.391SS..SBendtrans-72.9126.6-178179.366000112.1L195 E196 R197D193-L195 VanDerWaalsContact C-N 3.35Å; D193-L195 PolarHBondContact O-N 3.05Å; D193-L195 WeakPolarHBondContact OD2-CA 3.4Å; D193-L195 VanDerWaalsContact OD2-CB 3.31Å; D193-L195 WeakPolarHBondContact OD2-CB 3.4Å; D193-L195 PolarHBondContact OD2-N 3.28Å; D193-E196 HydrophobicContact CB-CB 4.11Å; D193-E196 HydrophobicContact CB-CG 4.18Å; D193-E196 WeakPolarHBondContact OD2-CG 3.27Å; D193-E196 PolarHBondContact OD2-N 3.49Å; D193-R197 WeakPolarHBondContact O-CB 3.27Å; D193-R197 PolarHBondContact O-N 3.4Å
194P92.4Very high93.3Very high92 Ų9270.2 Ų70.260%0.59738%0.382SS*.Hα-helixtrans-63.9-32.4-178-25.235.1000115R198P194-R198 WeakPolarHBondContact O-CB 3.49Å; P194-R198 PolarHBondContact O-N 3.3Å
195L92.1Very high93.3Very high136 Ų13667.7 Ų67.771%0.71237%0.372SS*.Hα-helixtrans-73.3-47.3-180-87152.4000110.3D193 R198 Q199D193-L195 VanDerWaalsContact C-N 3.35Å; D193-L195 PolarHBondContact O-N 3.05Å; D193-L195 WeakPolarHBondContact OD2-CA 3.4Å; D193-L195 VanDerWaalsContact OD2-CB 3.31Å; D193-L195 WeakPolarHBondContact OD2-CB 3.4Å; D193-L195 PolarHBondContact OD2-N 3.28Å; L195-R198 PolarHBondContact O-N 3.3Å; L195-Q199 PolarHBondContact O-N 3.24Å
196E92.5Very high93.2Very high125 Ų12570.9 Ų70.958%0.58438%0.381SS*.Hα-helixtrans-62.5-43.3174.4-68.8-177.3172.700111.7I191 D193 R198 Q199 A200I191-E196 HydrophobicContact CG2-CB 3.71Å; D193-E196 HydrophobicContact CB-CB 4.11Å; D193-E196 HydrophobicContact CB-CG 4.18Å; D193-E196 WeakPolarHBondContact OD2-CG 3.27Å; D193-E196 PolarHBondContact OD2-N 3.49Å; E196-R198 VanDerWaalsContact C-N 3.31Å; E196-R198 PolarHBondContact O-N 2.66Å; E196-Q199 PolarHBondContact O-N 3.44Å; E196-A200 WeakPolarHBondContact O-CB 3.45Å; E196-A200 PolarHBondContact O-N 3.45Å
197R93.7Very high93.2Very high104 Ų10468.7 Ų68.739%0.39237%0.368SS..Hα-helixtrans-55-47.4173.9178.7-178.4-51.7166.28.8111.4A188 I191 A192 D193 A200 S201A188-R197 WeakPolarHBondContact O-CG 3.32Å; I191-R197 HydrophobicContact CB-CB 4.11Å; I191-R197 HydrophobicContact CG2-CB 4.31Å; I191-R197 PolarHBondContact O-NE 2.9Å; I191-R197 PolarHBondContact O-NH2 3.18Å; A192-R197 PolarHBondContact O-NH2 3.18Å; D193-R197 WeakPolarHBondContact O-CB 3.27Å; D193-R197 PolarHBondContact O-N 3.4Å; R197-A200 PolarHBondContact O-N 3.34Å; R197-S201 PolarHBondContact O-N 3.5Å
198R91.7Very high93.2Very high126 Ų12664.8 Ų64.848%0.47534%0.341SS..Hα-helixtrans-63.6-45.5178-176.7-179.5177.9-168.51.3110.9P194 L195 E196 A200 S201 Y202P194-R198 WeakPolarHBondContact O-CB 3.49Å; P194-R198 PolarHBondContact O-N 3.3Å; L195-R198 PolarHBondContact O-N 3.3Å; E196-R198 VanDerWaalsContact C-N 3.31Å; E196-R198 PolarHBondContact O-N 2.66Å; R198-A200 VanDerWaalsContact C-N 3.35Å; R198-A200 PolarHBondContact O-N 2.82Å; R198-S201 PolarHBondContact O-N 3.48Å; R198-S201 PolarHBondContact O-OG 3.47Å; R198-Y202 HydrophobicContact CG-CE2 4.08Å; R198-Y202 VanDerWaalsContact O-CD2 3.28Å; R198-Y202 WeakPolarHBondContact O-CD2 3.44Å
199Q91.9Very high93.1Very high93 Ų9366.3 Ų66.344%0.43535%0.347SS..Hα-helixtrans-61-43.3179.7-173.664.523.900111.9L195 E196 S201 Y202L195-Q199 PolarHBondContact O-N 3.24Å; E196-Q199 PolarHBondContact O-N 3.44Å; Q199-S201 PolarHBondContact O-N 3.34Å; Q199-Y202 PolarHBondContact O-N 2.84Å
200A93.2Very high93.2Very high36 Ų3670.8 Ų70.830%0.29836%0.355SS..Hα-helixtrans-67.7-20.2-179.900000114K184 A188 I191 E196 R197 R198 Y202K184-A200 WeakPolarHBondContact CE-O 3.19Å; A188-A200 HydrophobicContact CB-CB 3.91Å; I191-A200 HydrophobicContact CD1-CB 3.38Å; E196-A200 WeakPolarHBondContact O-CB 3.45Å; E196-A200 PolarHBondContact O-N 3.45Å; R197-A200 PolarHBondContact O-N 3.34Å; R198-A200 VanDerWaalsContact C-N 3.35Å; R198-A200 PolarHBondContact O-N 2.82Å; A200-Y202 VanDerWaalsContact C-N 3.32Å
201S93.6Very high93.1Very high15 Ų1565.9 Ų65.911%0.10533%0.332CS..THydrogen-bonded Turntrans-78.5-13176.874.10000114.2R197 R198 Q199R197-S201 PolarHBondContact O-N 3.5Å; R198-S201 PolarHBondContact O-N 3.48Å; R198-S201 PolarHBondContact O-OG 3.47Å; Q199-S201 PolarHBondContact O-N 3.34Å
202Y94.6Very high92.9Very high17 Ų1763.7 Ų63.77%0.06732%0.321CS..  trans-82.7143.9177.7-79.3-76.2000111.6R198 Q199 A200 R243 L258 Y259 R260R198-Y202 HydrophobicContact CG-CE2 4.08Å; R198-Y202 VanDerWaalsContact O-CD2 3.28Å; R198-Y202 WeakPolarHBondContact O-CD2 3.44Å; Q199-Y202 PolarHBondContact O-N 2.84Å; A200-Y202 VanDerWaalsContact C-N 3.32Å; Y202-R243 HydrophobicContact CD1-CB 4.13Å; Y202-R243 HydrophobicContact CE1-CB 3.57Å; Y202-L258 HydrophobicContact CD1-CB 3.84Å; Y202-L258 HydrophobicContact CG-CB 4.25Å; Y202-Y259 CarbonylContact C-O 3.49Å; Y202-Y259 WeakPolarHBondContact CA-O 3.46Å; Y202-R260 HydrophobicContact CD1-CB 3.84Å; Y202-R260 HydrophobicContact CD1-CG 3.99Å; Y202-R260 HydrophobicContact CE1-CB 3.96Å; Y202-R260 HydrophobicContact CE1-CG 3.55Å; Y202-R260 HydrophobicContact CG-CB 4.3Å; Y202-R260 VanDerWaalsContact CZ-CD 3.45Å; Y202-R260 PolarHBondContact OH-NE 3.23Å
203V94.6Very high92.7Very high1 Ų163 Ų631%0.00631%0.307CS..EExtended strand (participates in β ladder)trans-137.9142.2-175.5-178.80000109.7Y180 L181 K184 E207 I208 L258 Y259Y180-V203 HydrophobicContact CD1-CG1 4.26Å; Y180-V203 HydrophobicContact CE1-CG1 3.64Å; Y180-V203 HydrophobicContact CE1-CG2 4.27Å; L181-V203 HydrophobicContact CD2-CB 3.87Å; L181-V203 HydrophobicContact CD2-CG2 3.8Å; K184-V203 HydrophobicContact CB-CG2 4.13Å; K184-V203 HydrophobicContact CD-CG2 3.92Å; K184-V203 HydrophobicContact CG-CG2 3.59Å; V203-E207 HydrophobicContact CG1-CB 3.82Å; V203-E207 HydrophobicContact CG1-CG 3.95Å; V203-I208 HydrophobicContact CG1-CD1 3.99Å; V203-I208 HydrophobicContact CG1-CG1 3.51Å; V203-L258 CarbonylContact O-C 3.57Å; V203-L258 WeakPolarHBondContact O-CA 3.26Å; V203-Y259 PolarHBondContact N-O 2.95Å; V203-Y259 PolarHBondContact O-N 3.15Å
204S94.4Very high92.4Very high30 Ų3065.6 Ų65.621%0.2132%0.321CS..EExtended strand (participates in β ladder)trans-84161.1174.891.20000112.6E206 E207 I208S204-E206 VanDerWaalsContact C-N 3.25Å; S204-E206 WeakPolarHBondContact CB-OE2 3.08Å; S204-E206 PolarHBondContact O-N 3.5Å; S204-E206 PolarHBondContact OG-N 3.38Å; S204-E206 PolarHBondContact OG-OE2 3.15Å; S204-E207 PolarHBondContact O-N 3.14Å; S204-E207 PolarHBondContact OG-N 3.36Å; S204-I208 PolarHBondContact O-N 2.97Å
205C93.2Very high92.1Very high5 Ų564 Ų643%0.03431%0.31CS..Hα-helixtrans-61.3-37.1176.8-169.50000111.9E207 I208 H209 V224 L231 Y259C205-E207 PolarHBondContact O-N 2.8Å; C205-I208 PolarHBondContact O-N 3.27Å; C205-H209 WeakPolarHBondContact O-CB 3.45Å; C205-H209 PolarHBondContact O-N 2.89Å; C205-V224 HydrophobicContact CB-CG1 4.41Å; C205-L231 HydrophobicContact CB-CD1 4.3Å; C205-Y259 HydrophobicContact CB-CE2 4.24Å
206E92.7Very high91.5Very high101 Ų10166 Ų6647%0.47231%0.313SS..Hα-helixtrans-66.7-36.3179.8-57.472.6-157.300111.8S204 R210S204-E206 VanDerWaalsContact C-N 3.25Å; S204-E206 WeakPolarHBondContact CB-OE2 3.08Å; S204-E206 PolarHBondContact O-N 3.5Å; S204-E206 PolarHBondContact OG-N 3.38Å; S204-E206 PolarHBondContact OG-OE2 3.15Å; E206-R210 VanDerWaalsContact O-CB 3.29Å; E206-R210 WeakPolarHBondContact O-CB 3.5Å; E206-R210 PolarHBondContact O-N 2.96Å
207E93.7Very high90.7Very high54 Ų5463.6 Ų63.625%0.25230%0.303SS..Hα-helixtrans-65.8-42.6176.3-173.8177.2177.500110.9Y180 K184 V203 S204 C205 R210 F211Y180-E207 HydrophobicContact CE1-CG 4.28Å; Y180-E207 WeakPolarHBondContact OH-CG 3.19Å; Y180-E207 PolarHBondContact OH-OE1 3.31Å; K184-E207 IonicContact NZ-OE1 2.72Å; K184-E207 PolarHBondContact NZ-OE1 3.21Å; K184-E207 IonicContact NZ-OE2 3.89Å; V203-E207 HydrophobicContact CG1-CB 3.82Å; V203-E207 HydrophobicContact CG1-CG 3.95Å; S204-E207 PolarHBondContact O-N 3.14Å; S204-E207 PolarHBondContact OG-N 3.36Å; C205-E207 PolarHBondContact O-N 2.8Å; E207-R210 PolarHBondContact O-N 3.06Å; E207-F211 PolarHBondContact O-N 3.48Å
208I92.9Very high89.6Confident0 Ų059.7 Ų59.70%029%0.291CS..Hα-helixtrans-66.9-45.1176.3-60176.1000110.8Y180 L181 V203 S204 C205 R210 F211 I212 V227 L231Y180-I208 HydrophobicContact CD1-CG1 3.95Å; Y180-I208 HydrophobicContact CE1-CG1 4.24Å; L181-I208 HydrophobicContact CD1-CD1 4.31Å; L181-I208 HydrophobicContact CD2-CD1 4.15Å; L181-I208 HydrophobicContact CG-CD1 4.28Å; V203-I208 HydrophobicContact CG1-CD1 3.99Å; V203-I208 HydrophobicContact CG1-CG1 3.51Å; S204-I208 PolarHBondContact O-N 2.97Å; C205-I208 PolarHBondContact O-N 3.27Å; I208-R210 VanDerWaalsContact C-N 3.31Å; I208-R210 PolarHBondContact O-N 3.39Å; I208-F211 WeakPolarHBondContact O-CB 3.41Å; I208-F211 PolarHBondContact O-N 2.8Å; I208-F211 VanDerWaalsContact O-N 3.15Å; I208-I212 HydrophobicContact CG2-CD1 3.76Å; I208-I212 HydrophobicContact CG2-CG1 4.44Å; I208-I212 WeakPolarHBondContact O-CG1 3.25Å; I208-I212 PolarHBondContact O-N 3.31Å; I208-V227 HydrophobicContact CB-CG1 4.31Å; I208-V227 HydrophobicContact CG2-CG1 3.87Å; I208-L231 HydrophobicContact CD1-CD1 3.87Å; I208-L231 HydrophobicContact CD1-CD2 3.77Å; I208-L231 HydrophobicContact CD1-CG 4.48Å
209H92Very high88.6Confident36 Ų3660.8 Ų60.817%0.16731%0.312CS..Hα-helixtrans-58.8-42.9176.6174.6-93.6000111.9C205 F211 I212 T213 M222 T223 V224 V227C205-H209 WeakPolarHBondContact O-CB 3.45Å; C205-H209 PolarHBondContact O-N 2.89Å; H209-F211 PolarHBondContact O-N 3.26Å; H209-I212 PolarHBondContact O-N 3.14Å; H209-T213 WeakPolarHBondContact O-CB 3.49Å; H209-T213 PolarHBondContact O-N 3.28Å; H209-T213 PolarHBondContact O-OG1 3.15Å; H209-M222 PolarHBondContact NE2-O 3.24Å; H209-T223 PolarHBondContact CD2-O 3.47Å; H209-V224 HydrophobicContact CB-CG2 4.42Å; H209-V227 HydrophobicContact CB-CG2 4.16Å
210R92.7Very high87.6Confident154 Ų15460.1 Ų60.158%0.58131%0.314SS*.Hα-helixtrans-62.5-41.5175-169.8-175.9-59.3149.14.1111.8E206 E207 I208 T213 N214E206-R210 VanDerWaalsContact O-CB 3.29Å; E206-R210 WeakPolarHBondContact O-CB 3.5Å; E206-R210 PolarHBondContact O-N 2.96Å; E207-R210 PolarHBondContact O-N 3.06Å; I208-R210 VanDerWaalsContact C-N 3.31Å; I208-R210 PolarHBondContact O-N 3.39Å; R210-T213 PolarHBondContact O-N 3.47Å; R210-N214 VanDerWaalsContact O-CB 3.31Å; R210-N214 WeakPolarHBondContact O-CB 3.5Å; R210-N214 PolarHBondContact O-N 2.98Å; R210-N214 PolarHBondContact O-ND2 2.95Å
211F92.2Very high86.6Confident55 Ų5563.3 Ų63.324%0.24134%0.335CS..Hα-helixtrans-61.3-47.9175.5169.9-101.5000112.1Y180 E207 I208 H209 T213 N214 T215Y180-F211 HydrophobicContact CD2-CB 3.84Å; Y180-F211 AromaticContact CD2-CD1 3.49Å; Y180-F211 HydrophobicContact CD2-CD1 3.49Å; Y180-F211 VanDerWaalsContact CD2-CD1 3.49Å; Y180-F211 AromaticContact CD2-CD2 3.37Å; Y180-F211 HydrophobicContact CD2-CD2 3.37Å; Y180-F211 AromaticContact CD2-CE1 3.8Å; Y180-F211 HydrophobicContact CD2-CE1 3.8Å; Y180-F211 AromaticContact CD2-CE2 3.68Å; Y180-F211 HydrophobicContact CD2-CE2 3.68Å; Y180-F211 AromaticContact CD2-CG 3.25Å; Y180-F211 HydrophobicContact CD2-CG 3.25Å; Y180-F211 AromaticContact CD2-CZ 3.88Å; Y180-F211 HydrophobicContact CD2-CZ 3.88Å; Y180-F211 HydrophobicContact CE2-CB 3.75Å; Y180-F211 HydrophobicContact CE2-CD1 4.27Å; Y180-F211 AromaticContact CE2-CD2 3.53Å; Y180-F211 HydrophobicContact CE2-CD2 3.53Å; Y180-F211 HydrophobicContact CE2-CE2 4.16Å; Y180-F211 AromaticContact CE2-CG 3.58Å; Y180-F211 HydrophobicContact CE2-CG 3.58Å; Y180-F211 HydrophobicContact CG-CB 4.43Å; Y180-F211 AromaticContact CG-CD1 3.84Å; Y180-F211 HydrophobicContact CG-CD1 3.84Å; Y180-F211 HydrophobicContact CG-CD2 4.47Å; Y180-F211 HydrophobicContact CG-CE1 4.17Å; Y180-F211 AromaticContact CG-CG 3.99Å; Y180-F211 HydrophobicContact CG-CG 3.99Å; E207-F211 PolarHBondContact O-N 3.48Å; I208-F211 WeakPolarHBondContact O-CB 3.41Å; I208-F211 PolarHBondContact O-N 2.8Å; I208-F211 VanDerWaalsContact O-N 3.15Å; H209-F211 PolarHBondContact O-N 3.26Å; F211-T213 VanDerWaalsContact C-N 3.33Å; F211-T213 PolarHBondContact O-N 2.86Å; F211-N214 PolarHBondContact O-N 3.46Å; F211-T215 HydrophobicContact CD2-CG2 3.97Å; F211-T215 HydrophobicContact CE1-CG2 4.24Å; F211-T215 HydrophobicContact CE2-CG2 3.57Å; F211-T215 HydrophobicContact CG-CG2 4.48Å; F211-T215 HydrophobicContact CZ-CG2 3.73Å; F211-T215 WeakPolarHBondContact O-CB 3.19Å; F211-T215 WeakPolarHBondContact O-CG2 3.43Å; F211-T215 PolarHBondContact O-N 3.11Å; F211-T215 PolarHBondContact O-OG1 2.88Å
212I89.3Confident85.8Confident3 Ų363.8 Ų63.82%0.01534%0.335CS..Hα-helixtrans-62.7-42.6179.3-65.7160.7000110.9L173 I208 H209 N214 T215 K216 M222 V227L173-I212 HydrophobicContact CD1-CD1 3.69Å; L173-I212 HydrophobicContact CD1-CG1 4.43Å; L173-I212 HydrophobicContact CD1-CG2 4.31Å; I208-I212 HydrophobicContact CG2-CD1 3.76Å; I208-I212 HydrophobicContact CG2-CG1 4.44Å; I208-I212 WeakPolarHBondContact O-CG1 3.25Å; I208-I212 PolarHBondContact O-N 3.31Å; H209-I212 PolarHBondContact O-N 3.14Å; I212-N214 PolarHBondContact O-N 3.12Å; I212-T215 WeakPolarHBondContact CA-OG1 3.31Å; I212-T215 PolarHBondContact O-N 2.98Å; I212-T215 PolarHBondContact O-OG1 3.4Å; I212-K216 PolarHBondContact O-N 3.37Å; I212-M222 HydrophobicContact CG2-SD 3.85Å; I212-V227 HydrophobicContact CD1-CG1 4.11Å; I212-V227 HydrophobicContact CD1-CG2 3.92Å
213T87.6Confident85.3Confident74 Ų7465.6 Ų65.645%0.45435%0.349SS..Hα-helixtrans-63.1-43.9178.1-56.40000111.4H209 R210 F211 K216H209-T213 WeakPolarHBondContact O-CB 3.49Å; H209-T213 PolarHBondContact O-N 3.28Å; H209-T213 PolarHBondContact O-OG1 3.15Å; R210-T213 PolarHBondContact O-N 3.47Å; F211-T213 VanDerWaalsContact C-N 3.33Å; F211-T213 PolarHBondContact O-N 2.86Å; T213-K216 PolarHBondContact O-N 3.38Å
214N88.9Confident85Confident120 Ų12067.6 Ų67.664%0.64236%0.36SS*.Hα-helixtrans-71.6-33.6-178.3-73.5-13.9000113.4R210 F211 I212 K216R210-N214 VanDerWaalsContact O-CB 3.31Å; R210-N214 WeakPolarHBondContact O-CB 3.5Å; R210-N214 PolarHBondContact O-N 2.98Å; R210-N214 PolarHBondContact O-ND2 2.95Å; F211-N214 PolarHBondContact O-N 3.46Å; I212-N214 PolarHBondContact O-N 3.12Å; N214-K216 PolarHBondContact O-N 2.62Å
215T86.2Confident84.5Confident59 Ų5972.3 Ų72.336%0.36238%0.379SS..Hα-helixtrans-74.1-12.3178.648.30000112.9F211 I212 I217F211-T215 HydrophobicContact CD2-CG2 3.97Å; F211-T215 HydrophobicContact CE1-CG2 4.24Å; F211-T215 HydrophobicContact CE2-CG2 3.57Å; F211-T215 HydrophobicContact CG-CG2 4.48Å; F211-T215 HydrophobicContact CZ-CG2 3.73Å; F211-T215 WeakPolarHBondContact O-CB 3.19Å; F211-T215 WeakPolarHBondContact O-CG2 3.43Å; F211-T215 PolarHBondContact O-N 3.11Å; F211-T215 PolarHBondContact O-OG1 2.88Å; I212-T215 WeakPolarHBondContact CA-OG1 3.31Å; I212-T215 PolarHBondContact O-N 2.98Å; I212-T215 PolarHBondContact O-OG1 3.4Å; T215-I217 PolarHBondContact O-N 2.85Å; T215-I217 VanDerWaalsContact O-N 3.15Å; T215-I217 VanDerWaalsContact OG1-CD1 3.23Å; T215-I217 WeakPolarHBondContact OG1-CD1 3Å; T215-I217 WeakPolarHBondContact OG1-CG1 3.4Å
216K80.3Confident84Confident178 Ų17872.5 Ų72.577%0.77438%0.38SS*.THydrogen-bonded Turntrans51.234.3-178.8-60.7-175.3178.9-178.60112.9I212 T213 N214 C218I212-K216 PolarHBondContact O-N 3.37Å; T213-K216 PolarHBondContact O-N 3.38Å; N214-K216 PolarHBondContact O-N 2.62Å; K216-C218 PolarHBondContact O-N 2.92Å
217I75.4Confident83.9Confident74 Ų7467.7 Ų67.738%0.37936%0.357SS..  trans-63-33.9176.6-65.2167.2000110I172 A176 T215I172-I217 HydrophobicContact CG2-CG2 3.67Å; A176-I217 HydrophobicContact CB-CD1 3.77Å; T215-I217 PolarHBondContact O-N 2.85Å; T215-I217 VanDerWaalsContact O-N 3.15Å; T215-I217 VanDerWaalsContact OG1-CD1 3.23Å; T215-I217 WeakPolarHBondContact OG1-CD1 3Å; T215-I217 WeakPolarHBondContact OG1-CG1 3.4Å
218C70.6Confident83.7Confident22 Ų2268.2 Ų68.215%0.14936%0.36CS..  trans-106.7133.7-178.8-54.40000109.7F169 K216 V220 M222F169-C218 HydrophobicContact CE2-CB 3.96Å; F169-C218 WeakPolarHBondContact CE2-SG 3.33Å; F169-C218 HydrophobicContact CZ-CB 4.24Å; K216-C218 PolarHBondContact O-N 2.92Å; C218-V220 VanDerWaalsContact C-N 3.29Å; C218-M222 HydrophobicContact CB-CG 4.43Å; C218-M222 HydrophobicContact CB-SD 4.19Å
219T71.1Confident83.5Confident149 Ų14970.9 Ų70.991%0.91438%0.378SS*.SBendtrans-75.9-23.3169.649.10000111.9
220V70.6Confident83.4Confident79 Ų7969.5 Ų69.548%0.47937%0.372SS..SBendtrans-89139.2-179.3-176.10000110.1L158 C218 M222L158-V220 HydrophobicContact CD2-CG1 4.25Å; C218-V220 VanDerWaalsContact C-N 3.29Å; V220-M222 PolarHBondContact O-N 2.92Å
221S72.8Confident83.4Confident104 Ų10462.2 Ų62.273%0.72734%0.344SS*.PPolyproline II helixtrans-66.2117.2173.654.60000110.3L158L158-S221 WeakPolarHBondContact CD2-O 3.16Å
222M76.9Confident83.4Confident24 Ų2463.1 Ų63.112%0.11835%0.349CS..PPolyproline II helixtrans-96.4141.6177.2-69.2-172.56800111.4F169 L173 H209 I212 C218 V220 D226 V227F169-M222 HydrophobicContact CZ-SD 4.19Å; L173-M222 HydrophobicContact CD1-CE 3.62Å; L173-M222 HydrophobicContact CD1-SD 3.95Å; L173-M222 HydrophobicContact CD2-CE 3.28Å; L173-M222 HydrophobicContact CD2-SD 4.28Å; L173-M222 HydrophobicContact CG-CE 4.1Å; H209-M222 PolarHBondContact NE2-O 3.24Å; I212-M222 HydrophobicContact CG2-SD 3.85Å; C218-M222 HydrophobicContact CB-CG 4.43Å; C218-M222 HydrophobicContact CB-SD 4.19Å; V220-M222 PolarHBondContact O-N 2.92Å; M222-D226 HydrophobicContact CE-CB 4.06Å; M222-V227 HydrophobicContact CE-CG2 3.76Å
223T83.3Confident83.5Confident56 Ų5667 Ų6734%0.34437%0.373SS..PPolyproline II helixtrans-88.8166.8170.970.30000111L158 H209 Q225 D226L158-T223 HydrophobicContact CD1-CG2 4.34Å; H209-T223 PolarHBondContact CD2-O 3.47Å; T223-Q225 VanDerWaalsContact C-N 3.25Å; T223-Q225 PolarHBondContact O-N 2.99Å; T223-Q225 PolarHBondContact OG1-N 3.47Å; T223-D226 WeakPolarHBondContact CB-OD2 3.12Å; T223-D226 PolarHBondContact N-OD2 3.45Å; T223-D226 PolarHBondContact O-N 3.33Å; T223-D226 PolarHBondContact OG1-N 2.95Å; T223-D226 PolarHBondContact OG1-OD2 3.48Å
224V87.9Confident83.8Confident42 Ų4263.4 Ų63.426%0.25535%0.351SS..Hα-helixtrans-65.7-35174.5-179.30000110.3C205 H209 D226 V227 Q228C205-V224 HydrophobicContact CB-CG1 4.41Å; H209-V224 HydrophobicContact CB-CG2 4.42Å; V224-D226 VanDerWaalsContact C-N 3.34Å; V224-D226 PolarHBondContact O-N 3.23Å; V224-V227 PolarHBondContact O-N 2.93Å; V224-Q228 PolarHBondContact O-N 3.39Å
225Q84.9Confident84Confident130 Ų13061.7 Ų61.761%0.60734%0.338SS*.Hα-helixtrans-63.9-37.3179.1-69.377.3500112.2T223 Q228 C229T223-Q225 VanDerWaalsContact C-N 3.25Å; T223-Q225 PolarHBondContact O-N 2.99Å; T223-Q225 PolarHBondContact OG1-N 3.47Å; Q225-Q228 PolarHBondContact O-N 3.4Å; Q225-C229 WeakPolarHBondContact O-CB 3.42Å; Q225-C229 PolarHBondContact O-N 3.5Å
226D82.8Confident84.2Confident8 Ų866.8 Ų66.84%0.04336%0.355CS..Hα-helixtrans-63.4-44.4176.8-57-44.9000111.3L158 F159 M222 T223 V224 Q228 C229 V230L158-D226 WeakPolarHBondContact CD1-OD1 3.42Å; L158-D226 WeakPolarHBondContact CD1-OD2 3.13Å; F159-D226 HydrophobicContact CZ-CB 4.31Å; M222-D226 HydrophobicContact CE-CB 4.06Å; T223-D226 WeakPolarHBondContact CB-OD2 3.12Å; T223-D226 PolarHBondContact N-OD2 3.45Å; T223-D226 PolarHBondContact O-N 3.33Å; T223-D226 PolarHBondContact OG1-N 2.95Å; T223-D226 PolarHBondContact OG1-OD2 3.48Å; V224-D226 VanDerWaalsContact C-N 3.34Å; V224-D226 PolarHBondContact O-N 3.23Å; D226-Q228 VanDerWaalsContact C-N 3.34Å; D226-C229 WeakPolarHBondContact O-CB 3.36Å; D226-C229 PolarHBondContact O-N 3.34Å; D226-V230 PolarHBondContact O-N 3.47Å
227V89.1Confident84.6Confident0 Ų060.6 Ų60.60%034%0.343CS..Hα-helixtrans-64.5-43.2176.7178.40000110I208 H209 I212 M222 V224 C229 V230 L231I208-V227 HydrophobicContact CB-CG1 4.31Å; I208-V227 HydrophobicContact CG2-CG1 3.87Å; H209-V227 HydrophobicContact CB-CG2 4.16Å; I212-V227 HydrophobicContact CD1-CG1 4.11Å; I212-V227 HydrophobicContact CD1-CG2 3.92Å; M222-V227 HydrophobicContact CE-CG2 3.76Å; V224-V227 PolarHBondContact O-N 2.93Å; V227-C229 VanDerWaalsContact C-N 3.32Å; V227-C229 PolarHBondContact O-N 2.83Å; V227-V230 PolarHBondContact O-N 3.38Å; V227-L231 HydrophobicContact CG1-CD1 4.01Å; V227-L231 HydrophobicContact CG1-CG 4.31Å; V227-L231 VanDerWaalsContact O-CG 3.31Å; V227-L231 WeakPolarHBondContact O-CG 3.34Å; V227-L231 PolarHBondContact O-N 3.38Å
228Q91Very high85.3Confident65 Ų6559.4 Ų59.430%0.30435%0.349SS..Hα-helixtrans-57.9-44.8176.2-174.9-179.9-21.800111.6V224 Q225 D226 V230 L231 E232V224-Q228 PolarHBondContact O-N 3.39Å; Q225-Q228 PolarHBondContact O-N 3.4Å; D226-Q228 VanDerWaalsContact C-N 3.34Å; Q228-V230 VanDerWaalsContact C-N 3.32Å; Q228-V230 PolarHBondContact O-N 2.99Å; Q228-L231 PolarHBondContact O-N 3.49Å; Q228-L231 VanDerWaalsContact O-N 3.15Å; Q228-E232 PolarHBondContact NE2-OE1 3.49Å; Q228-E232 WeakPolarHBondContact O-CG 3.38Å; Q228-E232 PolarHBondContact O-N 2.82Å
229C88.5Confident86.3Confident57 Ų5760.9 Ų60.939%0.38535%0.353SS..Hα-helixtrans-57.1-45.3176.9-175.70000111.5F159 Q225 D226 V227 L231 E232 V233F159-C229 HydrophobicContact CZ-CB 4.47Å; Q225-C229 WeakPolarHBondContact O-CB 3.42Å; Q225-C229 PolarHBondContact O-N 3.5Å; D226-C229 WeakPolarHBondContact O-CB 3.36Å; D226-C229 PolarHBondContact O-N 3.34Å; V227-C229 VanDerWaalsContact C-N 3.32Å; V227-C229 PolarHBondContact O-N 2.83Å; C229-L231 PolarHBondContact O-N 2.97Å; C229-E232 PolarHBondContact O-N 3.32Å; C229-V233 WeakPolarHBondContact O-CG2 3.28Å; C229-V233 PolarHBondContact O-N 2.8Å
230V90Very high87.4Confident7 Ų754.1 Ų54.14%0.04231%0.311CS..Hα-helixtrans-65.3-39.8176.5177.60000112.1F159 L173 R174 D226 V227 Q228 E232 V233 L234F159-V230 HydrophobicContact CE1-CG2 4.11Å; F159-V230 HydrophobicContact CZ-CG2 4.18Å; L173-V230 HydrophobicContact CD2-CB 4.38Å; L173-V230 HydrophobicContact CD2-CG2 3.52Å; L173-V230 HydrophobicContact CG-CG1 4.31Å; L173-V230 HydrophobicContact CG-CG2 4.1Å; R174-V230 HydrophobicContact CB-CG1 4.4Å; D226-V230 PolarHBondContact O-N 3.47Å; V227-V230 PolarHBondContact O-N 3.38Å; Q228-V230 VanDerWaalsContact C-N 3.32Å; Q228-V230 PolarHBondContact O-N 2.99Å; V230-E232 VanDerWaalsContact C-N 3.31Å; V230-E232 PolarHBondContact O-N 3.45Å; V230-V233 PolarHBondContact O-N 3.08Å; V230-L234 HydrophobicContact CG1-CD1 4.18Å; V230-L234 WeakPolarHBondContact O-CG 3.23Å; V230-L234 PolarHBondContact O-N 3.11Å
231L93.1Very high88.5Confident0 Ų053.1 Ų53.10%030%0.302CS..Hα-helixtrans-64.8-35.5176.1-67.2171.8000112.1C177 L181 C205 I208 V227 Q228 C229 L234 K235 L240 Y259C177-L231 HydrophobicContact CB-CD2 4.26Å; L181-L231 HydrophobicContact CD1-CD2 4.49Å; C205-L231 HydrophobicContact CB-CD1 4.3Å; I208-L231 HydrophobicContact CD1-CD1 3.87Å; I208-L231 HydrophobicContact CD1-CD2 3.77Å; I208-L231 HydrophobicContact CD1-CG 4.48Å; V227-L231 HydrophobicContact CG1-CD1 4.01Å; V227-L231 HydrophobicContact CG1-CG 4.31Å; V227-L231 VanDerWaalsContact O-CG 3.31Å; V227-L231 WeakPolarHBondContact O-CG 3.34Å; V227-L231 PolarHBondContact O-N 3.38Å; Q228-L231 PolarHBondContact O-N 3.49Å; Q228-L231 VanDerWaalsContact O-N 3.15Å; C229-L231 PolarHBondContact O-N 2.97Å; L231-L234 HydrophobicContact CD2-CD1 4.41Å; L231-L234 PolarHBondContact O-N 3.08Å; L231-K235 WeakPolarHBondContact O-CB 3.46Å; L231-K235 PolarHBondContact O-N 3.34Å; L231-L240 HydrophobicContact CD2-CD1 3.8Å; L231-Y259 HydrophobicContact CB-CD1 3.98Å; L231-Y259 HydrophobicContact CB-CE1 3.66Å; L231-Y259 HydrophobicContact CD1-CD1 4.43Å; L231-Y259 HydrophobicContact CD1-CD2 3.91Å; L231-Y259 HydrophobicContact CD1-CE1 4.36Å; L231-Y259 HydrophobicContact CD1-CE2 3.84Å; L231-Y259 HydrophobicContact CD1-CG 4.22Å
232E91.9Very high89.5Confident74 Ų7450.2 Ų50.235%0.34628%0.279SS..Hα-helixtrans-64.9-44173.4-74.3177-170.100111.4Q228 C229 V230 L234 K235 F236Q228-E232 PolarHBondContact NE2-OE1 3.49Å; Q228-E232 WeakPolarHBondContact O-CG 3.38Å; Q228-E232 PolarHBondContact O-N 2.82Å; C229-E232 PolarHBondContact O-N 3.32Å; V230-E232 VanDerWaalsContact C-N 3.31Å; V230-E232 PolarHBondContact O-N 3.45Å; E232-L234 VanDerWaalsContact C-N 3.31Å; E232-L234 PolarHBondContact O-N 3Å; E232-K235 WeakPolarHBondContact O-CB 3.31Å; E232-K235 PolarHBondContact O-N 3.5Å; E232-K235 VanDerWaalsContact O-N 3.11Å; E232-F236 HydrophobicContact CB-CE2 4.33Å; E232-F236 WeakPolarHBondContact O-CD2 3.32Å; E232-F236 PolarHBondContact O-N 3.38Å
233V91Very high90.2Very high84 Ų8454.2 Ų54.251%0.50929%0.293SS..Hα-helixtrans-58.7-43.5173.8173.60000111.3C229 V230 K235 F236 G237C229-V233 WeakPolarHBondContact O-CG2 3.28Å; C229-V233 PolarHBondContact O-N 2.8Å; V230-V233 PolarHBondContact O-N 3.08Å; V233-K235 VanDerWaalsContact C-N 3.31Å; V233-K235 PolarHBondContact O-N 3.31Å; V233-F236 PolarHBondContact O-N 2.88Å; V233-G237 PolarHBondContact O-N 2.85Å
234L92.8Very high90.6Very high0 Ų057.2 Ų57.20%031%0.306CS..Hα-helixtrans-67.4-28176.1-72.6171.7000113.8R174 C177 L178 V230 L231 E232 E239 L240R174-L234 HydrophobicContact CG-CD1 4.49Å; R174-L234 HydrophobicContact CG-CD2 3.54Å; R174-L234 HydrophobicContact CG-CG 4.35Å; R174-L234 VanDerWaalsContact CZ-CD2 3.48Å; C177-L234 HydrophobicContact CB-CD1 3.94Å; L178-L234 HydrophobicContact CD1-CD2 4.02Å; L178-L234 HydrophobicContact CD2-CD1 4.41Å; L178-L234 HydrophobicContact CD2-CD2 4.09Å; L178-L234 HydrophobicContact CG-CD1 4.29Å; L178-L234 HydrophobicContact CG-CD2 4.05Å; V230-L234 HydrophobicContact CG1-CD1 4.18Å; V230-L234 WeakPolarHBondContact O-CG 3.23Å; V230-L234 PolarHBondContact O-N 3.11Å; L231-L234 HydrophobicContact CD2-CD1 4.41Å; L231-L234 PolarHBondContact O-N 3.08Å; E232-L234 VanDerWaalsContact C-N 3.31Å; E232-L234 PolarHBondContact O-N 3Å; L234-E239 PolarHBondContact O-N 2.85Å; L234-E239 VanDerWaalsContact O-N 3.12Å; L234-L240 HydrophobicContact CB-CD1 3.45Å; L234-L240 VanDerWaalsContact CB-CD1 3.45Å; L234-L240 HydrophobicContact CB-CG 3.73Å; L234-L240 HydrophobicContact CD1-CD1 4.03Å; L234-L240 HydrophobicContact CG-CD1 4.37Å; L234-L240 PolarHBondContact O-N 2.88Å; L234-L240 VanDerWaalsContact O-N 3.14Å
235K92.9Very high90.5Very high83 Ų8357.2 Ų57.236%0.36131%0.306SS..Hα-helixtrans-69.7-45.4171.2176.4-167.1178.71700110.4L231 E232 V233 G237 G238 L240 T242L231-K235 WeakPolarHBondContact O-CB 3.46Å; L231-K235 PolarHBondContact O-N 3.34Å; E232-K235 WeakPolarHBondContact O-CB 3.31Å; E232-K235 PolarHBondContact O-N 3.5Å; E232-K235 VanDerWaalsContact O-N 3.11Å; V233-K235 VanDerWaalsContact C-N 3.31Å; V233-K235 PolarHBondContact O-N 3.31Å; K235-G237 VanDerWaalsContact C-N 3.33Å; K235-G237 PolarHBondContact O-N 3.29Å; K235-G238 PolarHBondContact O-N 3.36Å; K235-G238 VanDerWaalsContact O-N 3.08Å; K235-L240 HydrophobicContact CB-CB 4.49Å; K235-T242 HydrophobicContact CD-CG2 3.67Å; K235-T242 WeakPolarHBondContact CE-OG1 3.43Å; K235-T242 HydrophobicContact CG-CG2 4.2Å; K235-T242 PolarHBondContact NZ-OG1 2.71Å; K235-T242 VanDerWaalsContact NZ-OG1 3.11Å
236F90.8Very high90.3Very high166 Ų16654.3 Ų54.373%0.72830%0.3SS*.Hα-helixtrans-69.4-29.6-179.6-69-59.3000113.3E232 V233 G238E232-F236 HydrophobicContact CB-CE2 4.33Å; E232-F236 WeakPolarHBondContact O-CD2 3.32Å; E232-F236 PolarHBondContact O-N 3.38Å; V233-F236 PolarHBondContact O-N 2.88Å; F236-G238 PolarHBondContact O-N 3.39Å
237G89.3Confident89.6Confident49 Ų4960.2 Ų60.251%0.50533%0.327SS..THydrogen-bonded Turntrans-71-7.3170.700000114V233 K235 E239V233-G237 PolarHBondContact O-N 2.85Å; K235-G237 VanDerWaalsContact C-N 3.33Å; K235-G237 PolarHBondContact O-N 3.29Å; G237-E239 VanDerWaalsContact C-N 3.31Å; G237-E239 WeakPolarHBondContact CA-OE2 3.39Å
238G89.8Confident88.2Confident49 Ų4965.5 Ų65.551%0.50536%0.36SS..THydrogen-bonded Turntrans81.37.7178.900000113.9K235 F236 A262K235-G238 PolarHBondContact O-N 3.36Å; K235-G238 VanDerWaalsContact O-N 3.08Å; F236-G238 PolarHBondContact O-N 3.39Å; G238-A262 VanDerWaalsContact O-CB 3.26Å; G238-A262 WeakPolarHBondContact O-CB 3.46Å
239E92.2Very high86.7Confident52 Ų5265.3 Ų65.324%0.24337%0.366CS..SBendtrans-78-27.4176.6-57.889.5166.200112.4R174 L178 L234 G237 A262R174-E239 IonicContact CZ-OE1 3.18Å; R174-E239 IonicContact NH1-OE1 2.85Å; R174-E239 PolarHBondContact NH1-OE1 3.27Å; R174-E239 IonicContact NH1-OE2 3.51Å; R174-E239 IonicContact NH2-OE1 2.62Å; R174-E239 PolarHBondContact NH2-OE1 3.45Å; L178-E239 HydrophobicContact CD2-CB 4.04Å; L234-E239 PolarHBondContact O-N 2.85Å; L234-E239 VanDerWaalsContact O-N 3.12Å; G237-E239 VanDerWaalsContact C-N 3.31Å; G237-E239 WeakPolarHBondContact CA-OE2 3.39Å; E239-A262 WeakPolarHBondContact O-CB 3.42Å; E239-A262 PolarHBondContact O-N 3.46Å
240L94.3Very high85.5Confident7 Ų772.1 Ų72.14%0.03739%0.392CS..EExtended strand (participates in β ladder)trans-120.3148.1-177.5-55.8-176.1000113.3L178 L181 L231 L234 K235 Y259 R260 L261L178-L240 HydrophobicContact CD2-CD2 4.17Å; L181-L240 HydrophobicContact CD1-CD1 3.97Å; L181-L240 HydrophobicContact CD1-CD2 3.43Å; L181-L240 VanDerWaalsContact CD1-CD2 3.43Å; L181-L240 HydrophobicContact CD1-CG 4.37Å; L231-L240 HydrophobicContact CD2-CD1 3.8Å; L234-L240 HydrophobicContact CB-CD1 3.45Å; L234-L240 VanDerWaalsContact CB-CD1 3.45Å; L234-L240 HydrophobicContact CB-CG 3.73Å; L234-L240 HydrophobicContact CD1-CD1 4.03Å; L234-L240 HydrophobicContact CG-CD1 4.37Å; L234-L240 PolarHBondContact O-N 2.88Å; L234-L240 VanDerWaalsContact O-N 3.14Å; K235-L240 HydrophobicContact CB-CB 4.49Å; L240-Y259 HydrophobicContact CD1-CD1 4.34Å; L240-R260 WeakPolarHBondContact CA-O 3.37Å; L240-L261 HydrophobicContact CD2-CD2 4.01Å
241E92.9Very high84.2Confident59 Ų5980.8 Ų80.828%0.27643%0.432SS..EExtended strand (participates in β ladder)trans-111.1148.8165.5-73.7170.4-14600110.2Y259 R260 A262 T263E241-Y259 WeakPolarHBondContact O-CA 3.21Å; E241-R260 HydrophobicContact CB-CG 4.07Å; E241-R260 VanDerWaalsContact CD-NH2 3.34Å; E241-R260 PolarHBondContact N-O 3.13Å; E241-R260 PolarHBondContact O-N 3.4Å; E241-R260 IonicContact OE1-NH2 3.32Å; E241-R260 PolarHBondContact OE1-NH2 3.39Å; E241-R260 IonicContact OE2-CZ 3.21Å; E241-R260 IonicContact OE2-NE 3.01Å; E241-R260 PolarHBondContact OE2-NE 3.15Å; E241-R260 IonicContact OE2-NH2 2.66Å; E241-R260 PolarHBondContact OE2-NH2 2.95Å; E241-A262 HydrophobicContact CG-CB 3.79Å; E241-A262 WeakPolarHBondContact OE1-CA 3.26Å; E241-T263 PolarHBondContact OE1-N 3.32Å; E241-T263 VanDerWaalsContact OE1-N 3.15Å
242T93.8Very high82.4Confident42 Ų4284.1 Ų84.126%0.25846%0.455SS..EExtended strand (participates in β ladder)trans-115.4148.3178.356.30000112.4K235 I257 L258 Y259K235-T242 HydrophobicContact CD-CG2 3.67Å; K235-T242 WeakPolarHBondContact CE-OG1 3.43Å; K235-T242 HydrophobicContact CG-CG2 4.2Å; K235-T242 PolarHBondContact NZ-OG1 2.71Å; K235-T242 VanDerWaalsContact NZ-OG1 3.11Å; T242-I257 HydrophobicContact CG2-CG2 3.88Å; T242-L258 CarbonylContact C-O 3.58Å; T242-L258 WeakPolarHBondContact CA-O 3.33Å; T242-Y259 HydrophobicContact CG2-CD1 3.6Å; T242-Y259 HydrophobicContact CG2-CE1 3.57Å; T242-Y259 HydrophobicContact CG2-CG 4.49Å
243R92.3Very high80.9Confident108 Ų10884.5 Ų84.541%0.40846%0.463SS..EExtended strand (participates in β ladder)trans-125.3132.5167.4179.4175.7179.2-179.7-4.2109.3Y202 L258Y202-R243 HydrophobicContact CD1-CB 4.13Å; Y202-R243 HydrophobicContact CE1-CB 3.57Å; R243-L258 PolarHBondContact N-O 3.03Å; R243-L258 PolarHBondContact O-N 2.9Å
244I90.4Very high79.9Confident120 Ų12083.2 Ų83.262%0.61546%0.457SS*.EExtended strand (participates in β ladder)trans-85.5129172-55.9173.3000107.3F255I244-F255 HydrophobicContact CG2-CB 4.49Å; I244-F255 HydrophobicContact CG2-CD1 3.98Å
245T86.1Confident79.2Confident41 Ų4190.4 Ų90.425%0.25249%0.489SS..EExtended strand (participates in β ladder)trans-112.3132.5173.8-57.30000107.7F255 G256 L258T245-F255 CarbonylContact O-C 3.57Å; T245-F255 WeakPolarHBondContact O-CA 3.36Å; T245-G256 PolarHBondContact N-O 2.84Å; T245-G256 PolarHBondContact O-N 2.82Å; T245-L258 WeakPolarHBondContact OG1-CD1 3.37Å
246S81.6Confident78.8Confident70 Ų7088.1 Ų88.149%0.4949%0.489SS..EExtended strand (participates in β ladder)trans-101.7116.5169.655.70000108.4
247E66.9Low78.8Confident131 Ų13183.4 Ų83.461%0.61247%0.47SS*.EExtended strand (participates in β ladder)trans-93.3107.8166.5-68.4-175.7-179.900107.7S249 S254E247-S249 PolarHBondContact O-N 3.4Å; E247-S254 PolarHBondContact N-O 2.96Å; E247-S254 PolarHBondContact O-N 3.35Å
248T60.2Low79.1Confident112 Ų11282.6 Ų82.669%0.68745%0.454SS*.EExtended strand (participates in β ladder)trans-89.3100173.9-52.10000107.9
249S59.7Low79.4Confident60 Ų6080.4 Ų80.442%0.4243%0.431SS..EExtended strand (participates in β ladder)trans-87.2151.516063.90000108.6E247 Q251 S252E247-S249 PolarHBondContact O-N 3.4Å; S249-Q251 PolarHBondContact O-N 3.04Å; S249-S252 PolarHBondContact N-O 2.93Å; S249-S252 VanDerWaalsContact N-O 3.1Å; S249-S252 PolarHBondContact O-N 3.45Å; S249-S252 VanDerWaalsContact O-N 3.1Å; S249-S252 VanDerWaalsContact O-O 3.13Å; S249-S252 PolarHBondContact OG-O 3.02Å; S249-S252 PolarHBondContact OG-OG 2.9Å
250E63.1Low79.4Confident201 Ų20179.8 Ų79.894%0.93943%0.426SS*.THydrogen-bonded Turntrans-53.9-13.5-171.6-65.6-177.9165.500115.1
251Q62.9Low79.5Confident188 Ų18881.6 Ų81.688%0.87944%0.436SS*.THydrogen-bonded Turntrans-127.7-6.7-176.2-62.1177.96.200114S249S249-Q251 PolarHBondContact O-N 3.04Å
252S55.1Low79.4Confident71 Ų7179.8 Ų79.850%0.49743%0.431SS..EExtended strand (participates in β ladder)trans-161.5138.1177.561.60000112.5S249S249-S252 PolarHBondContact N-O 2.93Å; S249-S252 VanDerWaalsContact N-O 3.1Å; S249-S252 PolarHBondContact O-N 3.45Å; S249-S252 VanDerWaalsContact O-N 3.1Å; S249-S252 VanDerWaalsContact O-O 3.13Å; S249-S252 PolarHBondContact OG-O 3.02Å; S249-S252 PolarHBondContact OG-OG 2.9Å
253T61.9Low78.9Confident81 Ų8182.5 Ų82.550%0.49745%0.448SS..EExtended strand (participates in β ladder)trans-94.4109.7171.4-32.40000108.1F255T253-F255 HydrophobicContact CG2-CZ 4.39Å
254S68.7Low77.9Confident57 Ų5786.3 Ų86.340%0.39947%0.47SS..EExtended strand (participates in β ladder)trans-95.2138.4171.156.30000109.5E247E247-S254 PolarHBondContact N-O 2.96Å; E247-S254 PolarHBondContact O-N 3.35Å
255F77.9Confident76.7Confident152 Ų15286.3 Ų86.367%0.66748%0.475SS*.EExtended strand (participates in β ladder)trans-103120.1174.7-66.1-78.9000109I244 T245 T253I244-F255 HydrophobicContact CG2-CB 4.49Å; I244-F255 HydrophobicContact CG2-CD1 3.98Å; T245-F255 CarbonylContact O-C 3.57Å; T245-F255 WeakPolarHBondContact O-CA 3.36Å; T253-F255 HydrophobicContact CG2-CZ 4.39Å
256G84.5Confident75.8Confident34 Ų3490 Ų9035%0.35150%0.5SS..EExtended strand (participates in β ladder)trans-102.6149170.900000110.9T245T245-G256 PolarHBondContact N-O 2.84Å; T245-G256 PolarHBondContact O-N 2.82Å
257I91.6Very high74.9Confident67 Ų6792.2 Ų92.234%0.34452%0.516SS..EExtended strand (participates in β ladder)trans-109126170.9-57.5175.6000108.2T242 Y259T242-I257 HydrophobicContact CG2-CG2 3.88Å; I257-Y259 HydrophobicContact CB-CE2 4.22Å; I257-Y259 HydrophobicContact CG2-CD2 4.45Å; I257-Y259 HydrophobicContact CG2-CE1 4.12Å; I257-Y259 HydrophobicContact CG2-CE2 3.81Å
258L94.4Very high74.9Confident32 Ų3289.2 Ų89.217%0.16851%0.506CS..EExtended strand (participates in β ladder)trans-105.2144.5172-58.1179.1000110.2Y202 V203 T242 R243 T245Y202-L258 HydrophobicContact CD1-CB 3.84Å; Y202-L258 HydrophobicContact CG-CB 4.25Å; V203-L258 CarbonylContact O-C 3.57Å; V203-L258 WeakPolarHBondContact O-CA 3.26Å; T242-L258 CarbonylContact C-O 3.58Å; T242-L258 WeakPolarHBondContact CA-O 3.33Å; R243-L258 PolarHBondContact N-O 3.03Å; R243-L258 PolarHBondContact O-N 2.9Å; T245-L258 WeakPolarHBondContact OG1-CD1 3.37Å
259Y95.8Very high75.6Confident4 Ų487.4 Ų87.42%0.01650%0.502CS..EExtended strand (participates in β ladder)trans-117143.2-177.2-58.9-94.1000110.1Y202 V203 C205 L231 L240 E241 T242 I257Y202-Y259 CarbonylContact C-O 3.49Å; Y202-Y259 WeakPolarHBondContact CA-O 3.46Å; V203-Y259 PolarHBondContact N-O 2.95Å; V203-Y259 PolarHBondContact O-N 3.15Å; C205-Y259 HydrophobicContact CB-CE2 4.24Å; L231-Y259 HydrophobicContact CB-CD1 3.98Å; L231-Y259 HydrophobicContact CB-CE1 3.66Å; L231-Y259 HydrophobicContact CD1-CD1 4.43Å; L231-Y259 HydrophobicContact CD1-CD2 3.91Å; L231-Y259 HydrophobicContact CD1-CE1 4.36Å; L231-Y259 HydrophobicContact CD1-CE2 3.84Å; L231-Y259 HydrophobicContact CD1-CG 4.22Å; L240-Y259 HydrophobicContact CD1-CD1 4.34Å; E241-Y259 WeakPolarHBondContact O-CA 3.21Å; T242-Y259 HydrophobicContact CG2-CD1 3.6Å; T242-Y259 HydrophobicContact CG2-CE1 3.57Å; T242-Y259 HydrophobicContact CG2-CG 4.49Å; I257-Y259 HydrophobicContact CB-CE2 4.22Å; I257-Y259 HydrophobicContact CG2-CD2 4.45Å; I257-Y259 HydrophobicContact CG2-CE1 4.12Å; I257-Y259 HydrophobicContact CG2-CE2 3.81Å
260R94.1Very high76.5Confident39 Ų3991 Ų9115%0.14752%0.517CS..EExtended strand (participates in β ladder)trans-142.5163.9167.471.1169.5-166.8130.31.8109.7Y202 L240 E241 A262Y202-R260 HydrophobicContact CD1-CB 3.84Å; Y202-R260 HydrophobicContact CD1-CG 3.99Å; Y202-R260 HydrophobicContact CE1-CB 3.96Å; Y202-R260 HydrophobicContact CE1-CG 3.55Å; Y202-R260 HydrophobicContact CG-CB 4.3Å; Y202-R260 VanDerWaalsContact CZ-CD 3.45Å; Y202-R260 PolarHBondContact OH-NE 3.23Å; L240-R260 WeakPolarHBondContact CA-O 3.37Å; E241-R260 HydrophobicContact CB-CG 4.07Å; E241-R260 VanDerWaalsContact CD-NH2 3.34Å; E241-R260 PolarHBondContact N-O 3.13Å; E241-R260 PolarHBondContact O-N 3.4Å; E241-R260 IonicContact OE1-NH2 3.32Å; E241-R260 PolarHBondContact OE1-NH2 3.39Å; E241-R260 IonicContact OE2-CZ 3.21Å; E241-R260 IonicContact OE2-NE 3.01Å; E241-R260 PolarHBondContact OE2-NE 3.15Å; E241-R260 IonicContact OE2-NH2 2.66Å; E241-R260 PolarHBondContact OE2-NH2 2.95Å; R260-A262 PolarHBondContact O-N 3.15Å
261L94.9Very high77.5Confident45 Ų4586.8 Ų86.824%0.23650%0.5CS..EExtended strand (participates in β ladder)trans-60.7132167.8-70.1170.9000110.6L178 L181 Q182 A185 L240L178-L261 HydrophobicContact CD2-CD2 4.06Å; L181-L261 HydrophobicContact CB-CD2 4.18Å; L181-L261 HydrophobicContact CB-CG 3.98Å; Q182-L261 HydrophobicContact CB-CD1 4.17Å; Q182-L261 HydrophobicContact CG-CD1 3.57Å; Q182-L261 HydrophobicContact CG-CD2 4.45Å; A185-L261 HydrophobicContact CB-CD1 4.08Å; L240-L261 HydrophobicContact CD2-CD2 4.01Å
262A91.6Very high78.5Confident20 Ų2080 Ų8017%0.16548%0.476CS..PPolyproline II helixtrans-66.9150.3171.900000110.4G238 E239 E241 R260 Q264G238-A262 VanDerWaalsContact O-CB 3.26Å; G238-A262 WeakPolarHBondContact O-CB 3.46Å; E239-A262 WeakPolarHBondContact O-CB 3.42Å; E239-A262 PolarHBondContact O-N 3.46Å; E241-A262 HydrophobicContact CG-CB 3.79Å; E241-A262 WeakPolarHBondContact OE1-CA 3.26Å; R260-A262 PolarHBondContact O-N 3.15Å; A262-Q264 PolarHBondContact O-N 2.66Å
263T83.6Confident79.7Confident100 Ų10080.9 Ų80.961%0.61348%0.475SS*.PPolyproline II helixtrans-71117168.2-48.40000107.4E241 T265E241-T263 PolarHBondContact OE1-N 3.32Å; E241-T263 VanDerWaalsContact OE1-N 3.15Å; T263-T265 PolarHBondContact O-N 3.01Å
264Q70.8Confident81Confident188 Ų18880.3 Ų80.388%0.87947%0.469SS*.  trans-59.2111.5179.5-66.7-173.42200109.1A262A262-Q264 PolarHBondContact O-N 2.66Å
265T65.8Low82Confident119 Ų11977.9 Ų77.973%0.7345%0.452SS*.  trans-74.4144.6159.438.40000107.1T263 S267T263-T265 PolarHBondContact O-N 3.01Å; T265-S267 PolarHBondContact O-N 2.9Å
266P66.1Low82.7Confident119 Ų11973.8 Ų73.877%0.77344%0.441SS*.  trans-51.5118.9179.117.5-28.7000109.3V268P266-V268 PolarHBondContact O-N 2.79Å; P266-V268 VanDerWaalsContact O-N 3.08Å
267S63.6Low83Confident117 Ų11774.4 Ų74.482%0.81844%0.438SS*.SBendtrans-62-23.1-162.755.90000114T265T265-S267 PolarHBondContact O-N 2.9Å
268V67.4Low82.8Confident68 Ų6876.7 Ų76.741%0.41245%0.45SS..SBendtrans-142.1129.5176-80.50000108.8P266 N270 A272P266-V268 PolarHBondContact O-N 2.79Å; P266-V268 VanDerWaalsContact O-N 3.08Å; V268-N270 PolarHBondContact O-N 2.84Å; V268-A272 HydrophobicContact CB-CB 4.04Å; V268-A272 HydrophobicContact CG1-CB 4.07Å
269A74.4Confident82.8Confident73 Ų7376.8 Ų76.860%0.60345%0.452SS*.  trans-58.2138.6161.900000107.6L271 A272A269-L271 PolarHBondContact O-N 3.38Å; A269-A272 WeakPolarHBondContact O-CB 3.37Å; A269-A272 PolarHBondContact O-N 3.28Å
270N79.1Confident82.6Confident136 Ų13684.9 Ų84.973%0.72750%0.495SS*.G310 helixtrans-50.3-22.4178.7-72.7-20.7000113.3V268 A272 N273V268-N270 PolarHBondContact O-N 2.84Å; N270-A272 VanDerWaalsContact C-N 3.28Å; N270-A272 PolarHBondContact O-N 2.98Å; N270-N273 WeakPolarHBondContact O-CB 3.42Å; N270-N273 PolarHBondContact O-N 2.84Å
271L82.9Confident82.6Confident113 Ų11385.6 Ų85.659%0.59251%0.505SS*.G310 helixtrans-57.8-36172.7-153.279.8000113.3A269 N273 I274 T277A269-L271 PolarHBondContact O-N 3.38Å; L271-N273 PolarHBondContact O-N 2.85Å; L271-I274 HydrophobicContact CD1-CD1 3.76Å; L271-I274 HydrophobicContact CG-CD1 4.32Å; L271-I274 VanDerWaalsContact O-CB 3.31Å; L271-I274 WeakPolarHBondContact O-CB 3.29Å; L271-I274 WeakPolarHBondContact O-CG1 3.31Å; L271-I274 PolarHBondContact O-N 3.19Å; L271-T277 HydrophobicContact CD2-CG2 4.05Å; L271-T277 HydrophobicContact CG-CG2 3.78Å; L271-T277 WeakPolarHBondContact O-CG2 3.38Å; L271-T277 PolarHBondContact O-OG1 2.96Å
272A83.4Confident82.4Confident44 Ų4490.8 Ų90.836%0.36452%0.522SS..G310 helixtrans-67.3-21.4179.700000113.1V268 A269 N270 I274V268-A272 HydrophobicContact CB-CB 4.04Å; V268-A272 HydrophobicContact CG1-CB 4.07Å; A269-A272 WeakPolarHBondContact O-CB 3.37Å; A269-A272 PolarHBondContact O-N 3.28Å; N270-A272 VanDerWaalsContact C-N 3.28Å; N270-A272 PolarHBondContact O-N 2.98Å; A272-I274 PolarHBondContact O-N 2.93Å
273N81.5Confident82.6Confident90 Ų9098.8 Ų98.848%0.48155%0.553SS.*G310 helixtrans-80.6-5.7174.6-62.1-21000112.3N270 L271 F302N270-N273 WeakPolarHBondContact O-CB 3.42Å; N270-N273 PolarHBondContact O-N 2.84Å; L271-N273 PolarHBondContact O-N 2.85Å; N273-F302 WeakPolarHBondContact O-CE2 3.36Å; N273-F302 WeakPolarHBondContact O-CZ 3.28Å
274I87.9Confident83.1Confident70 Ų7099.1 Ų99.136%0.35955%0.551SS.*SBendtrans-83.5122.7177.9-54.7177.6000107.5L271 A272 C276 T277L271-I274 HydrophobicContact CD1-CD1 3.76Å; L271-I274 HydrophobicContact CG-CD1 4.32Å; L271-I274 VanDerWaalsContact O-CB 3.31Å; L271-I274 WeakPolarHBondContact O-CB 3.29Å; L271-I274 WeakPolarHBondContact O-CG1 3.31Å; L271-I274 PolarHBondContact O-N 3.19Å; A272-I274 PolarHBondContact O-N 2.93Å; I274-C276 HydrophobicContact CG2-CB 3.89Å; I274-C276 PolarHBondContact O-N 2.96Å; I274-T277 HydrophobicContact CB-CG2 4.5Å; I274-T277 PolarHBondContact O-N 3.38Å; I274-T277 PolarHBondContact O-OG1 3.37Å
275P91.5Very high84.3Confident6 Ų692.3 Ų92.34%0.03952%0.524CS..Hα-helixtrans-54.8-29.5-178.721.3-34.7000112.6T277 I278 C279 L298 F299 F302P275-T277 VanDerWaalsContact C-N 3.27Å; P275-T277 PolarHBondContact O-N 2.72Å; P275-I278 VanDerWaalsContact O-CG1 3.27Å; P275-I278 WeakPolarHBondContact O-CG1 3.39Å; P275-I278 PolarHBondContact O-N 3.42Å; P275-C279 WeakPolarHBondContact O-CB 3.43Å; P275-C279 PolarHBondContact O-N 2.77Å; P275-C279 VanDerWaalsContact O-N 3.08Å; P275-L298 HydrophobicContact CB-CD2 3.87Å; P275-L298 HydrophobicContact CB-CG 3.85Å; P275-L298 WeakPolarHBondContact O-CD2 3.46Å; P275-F299 HydrophobicContact CG-CD2 3.6Å; P275-F299 HydrophobicContact CG-CE2 4.12Å; P275-F302 HydrophobicContact CB-CB 4.15Å; P275-F302 HydrophobicContact CB-CD2 4.37Å; P275-F302 HydrophobicContact CB-CG 4.18Å; P275-F302 HydrophobicContact CG-CB 3.92Å; P275-F302 HydrophobicContact CG-CD1 3.87Å; P275-F302 HydrophobicContact CG-CD2 4.22Å; P275-F302 HydrophobicContact CG-CE1 4.48Å; P275-F302 HydrophobicContact CG-CG 3.71Å
276C91.6Very high85.7Confident65 Ų6594.6 Ų94.644%0.43952%0.519SS..Hα-helixtrans-62-25.7176.3-57.70000114.4I274 R282I274-C276 HydrophobicContact CG2-CB 3.89Å; I274-C276 PolarHBondContact O-N 2.96Å; C276-R282 VanDerWaalsContact O-CD 3.27Å; C276-R282 WeakPolarHBondContact O-CD 3.21Å
277T90.6Very high86.9Confident48 Ų4893.7 Ų93.729%0.29451%0.513SS..Hα-helixtrans-81.2-25179.653.90000113.6L271 I274 P275L271-T277 HydrophobicContact CD2-CG2 4.05Å; L271-T277 HydrophobicContact CG-CG2 3.78Å; L271-T277 WeakPolarHBondContact O-CG2 3.38Å; L271-T277 PolarHBondContact O-OG1 2.96Å; I274-T277 HydrophobicContact CB-CG2 4.5Å; I274-T277 PolarHBondContact O-N 3.38Å; I274-T277 PolarHBondContact O-OG1 3.37Å; P275-T277 VanDerWaalsContact C-N 3.27Å; P275-T277 PolarHBondContact O-N 2.72Å
278I88.7Confident88.2Confident114 Ų11495.3 Ų95.359%0.58551%0.513SS*.Hα-helixtrans-98-8.7177.762170000112.5P275 L280P275-I278 VanDerWaalsContact O-CG1 3.27Å; P275-I278 WeakPolarHBondContact O-CG1 3.39Å; P275-I278 PolarHBondContact O-N 3.42Å; I278-L280 PolarHBondContact O-N 3.1Å
279C92.6Very high89.3Confident34 Ų3492.9 Ų92.923%0.2350%0.502CS..  trans-64.6118.3-178.5-1770000112P275 C281 R282 L298P275-C279 WeakPolarHBondContact O-CB 3.43Å; P275-C279 PolarHBondContact O-N 2.77Å; P275-C279 VanDerWaalsContact O-N 3.08Å; C279-C281 VanDerWaalsContact C-N 3.25Å; C279-C281 PolarHBondContact O-N 3.1Å; C279-R282 HydrophobicContact CB-CB 4.24Å; C279-R282 WeakPolarHBondContact O-CB 3.49Å; C279-R282 PolarHBondContact O-N 3.45Å; C279-L298 HydrophobicContact CB-CD2 3.85Å
280L93Very high90.2Very high174 Ų17495.7 Ų95.791%0.91151%0.514SS*.THydrogen-bonded Turntrans-65.2-27.9177.9-62.2177.9000113.1I278I278-L280 PolarHBondContact O-N 3.1Å
281C93Very high90.9Very high54 Ų5492.6 Ų92.637%0.36550%0.496SS..THydrogen-bonded Turntrans-98.816.1-179.9-50.90000112.9C279 K283 D284 C285 I291C279-C281 VanDerWaalsContact C-N 3.25Å; C279-C281 PolarHBondContact O-N 3.1Å; C281-K283 PolarHBondContact O-N 2.79Å; C281-K283 VanDerWaalsContact O-N 3.12Å; C281-D284 PolarHBondContact O-N 2.67Å; C281-C285 PolarHBondContact O-N 3.26Å; C281-I291 HydrophobicContact CB-CD1 3.86Å; C281-I291 HydrophobicContact CB-CG2 4.38Å
282R92.5Very high91.5Very high154 Ų15488.2 Ų88.258%0.58147%0.474SS*.THydrogen-bonded Turntrans-52.3-37.5-176.5-177.8-169.2178.5170-2.7113C276 C279 D284 C285C276-R282 VanDerWaalsContact O-CD 3.27Å; C276-R282 WeakPolarHBondContact O-CD 3.21Å; C279-R282 HydrophobicContact CB-CB 4.24Å; C279-R282 WeakPolarHBondContact O-CB 3.49Å; C279-R282 PolarHBondContact O-N 3.45Å; R282-D284 VanDerWaalsContact C-N 3.28Å; R282-D284 PolarHBondContact O-N 3.25Å; R282-C285 PolarHBondContact O-N 3.28Å
283K93.9Very high91.9Very high188 Ų18889.4 Ų89.482%0.81748%0.478SS*.THydrogen-bonded Turntrans-69.8-25.8-177.8-67.9-177.5179177.60113.2C281C281-K283 PolarHBondContact O-N 2.79Å; C281-K283 VanDerWaalsContact O-N 3.12Å
284D94.8Very high92.5Very high108 Ų10893.2 Ų93.258%0.57849%0.493SS*.THydrogen-bonded Turntrans-96-11.3-178.2-54.7-45.9000112.2C281 R282 R286 I291C281-D284 PolarHBondContact O-N 2.67Å; R282-D284 VanDerWaalsContact C-N 3.28Å; R282-D284 PolarHBondContact O-N 3.25Å; D284-R286 PolarHBondContact O-N 3.29Å; D284-I291 HydrophobicContact CB-CD1 4.28Å
285C95.8Very high92.7Very high45 Ų4593.5 Ų93.530%0.30450%0.501SS..  trans-74.3117.6-179.3-171.10000111.5C281 R282 I291C281-C285 PolarHBondContact O-N 3.26Å; R282-C285 PolarHBondContact O-N 3.28Å; C285-I291 WeakPolarHBondContact CA-O 3.43Å; C285-I291 HydrophobicContact CB-CG2 4.04Å
286R94.7Very high92.8Very high166 Ų16694.8 Ų94.863%0.62651%0.51SS*.  trans-139.8150177.3-60.4-171.7-173.9-95-4110.8D284 D288 G289 I291 N292D284-R286 PolarHBondContact O-N 3.29Å; R286-D288 PolarHBondContact O-N 3.47Å; R286-G289 PolarHBondContact O-N 2.86Å; R286-G289 VanDerWaalsContact O-N 3.14Å; R286-I291 PolarHBondContact N-O 2.92Å; R286-N292 WeakPolarHBondContact O-CA 3.4Å; R286-N292 WeakPolarHBondContact O-CB 3.38Å
287P92.9Very high92.9Very high101 Ų10199.5 Ų99.566%0.65652%0.523SS*.THydrogen-bonded Turntrans-51134163-21.933.5000109.2G289P287-G289 PolarHBondContact O-N 3.05Å
288D89.8Confident92.9Very high150 Ų150100.1 Ų100.180%0.80252%0.524SS*.THydrogen-bonded Turntrans67.16.3-178.5-45-45000117R286R286-D288 PolarHBondContact O-N 3.47Å
289G91.4Very high93.1Very high18 Ų1898.8 Ų98.819%0.18651%0.514CS..SBendtrans-81.6166.7172.700000113.6R286 P287 I291 N292R286-G289 PolarHBondContact O-N 2.86Å; R286-G289 VanDerWaalsContact O-N 3.14Å; P287-G289 PolarHBondContact O-N 3.05Å; G289-I291 PolarHBondContact O-N 3.42Å; G289-N292 PolarHBondContact O-ND2 3.12Å
290P92.6Very high93Very high132 Ų132102.7 Ų102.786%0.85753%0.529SS*.SBendtrans-62.6-28171.527.4-34.5000112.1
291I94.4Very high93Very high70 Ų7099.6 Ų99.636%0.35951%0.51SS..SBendtrans-109.9113.4167.3-55.7176.8000106.1C281 D284 C285 R286 G289C281-I291 HydrophobicContact CB-CD1 3.86Å; C281-I291 HydrophobicContact CB-CG2 4.38Å; D284-I291 HydrophobicContact CB-CD1 4.28Å; C285-I291 WeakPolarHBondContact CA-O 3.43Å; C285-I291 HydrophobicContact CB-CG2 4.04Å; R286-I291 PolarHBondContact N-O 2.92Å; G289-I291 PolarHBondContact O-N 3.42Å
292N94.2Very high92.8Very high21 Ų21100.9 Ų100.911%0.11251%0.509CS..  trans-143.7159.7-175.867.772.1000109.6R286 G289 Q294 S295 C296R286-N292 WeakPolarHBondContact O-CA 3.4Å; R286-N292 WeakPolarHBondContact O-CB 3.38Å; G289-N292 PolarHBondContact O-ND2 3.12Å; N292-Q294 VanDerWaalsContact C-N 3.32Å; N292-Q294 PolarHBondContact O-N 3.05Å; N292-Q294 WeakPolarHBondContact OD1-CA 3.48Å; N292-Q294 WeakPolarHBondContact OD1-CB 3.33Å; N292-Q294 PolarHBondContact OD1-N 3.38Å; N292-S295 PolarHBondContact ND2-OG 2.94Å; N292-S295 PolarHBondContact OD1-N 2.61Å; N292-S295 PolarHBondContact OD1-OG 2.8Å; N292-C296 WeakPolarHBondContact O-CB 3.32Å; N292-C296 PolarHBondContact O-N 3.31Å
293P93.6Very high92.7Very high69 Ų6998.8 Ų98.845%0.44851%0.509SS..SBendtrans-69.4-26.1-179.325.9-33.8000113.8C296P293-C296 WeakPolarHBondContact O-CB 3.3Å; P293-C296 PolarHBondContact O-N 3.29Å
294Q92.6Very high92.6Very high171 Ų17196.4 Ų96.480%0.79950%0.501SS*.THydrogen-bonded Turntrans-70.7-36.8-175.9-65.1174.9-14.200112.5N292N292-Q294 VanDerWaalsContact C-N 3.32Å; N292-Q294 PolarHBondContact O-N 3.05Å; N292-Q294 WeakPolarHBondContact OD1-CA 3.48Å; N292-Q294 WeakPolarHBondContact OD1-CB 3.33Å; N292-Q294 PolarHBondContact OD1-N 3.38Å
295S92.5Very high91.8Very high76 Ų76100.9 Ų100.953%0.53152%0.516SS..THydrogen-bonded Turntrans-107.923.2176.470.20000112.5N292 K297N292-S295 PolarHBondContact ND2-OG 2.94Å; N292-S295 PolarHBondContact OD1-N 2.61Å; N292-S295 PolarHBondContact OD1-OG 2.8Å; S295-K297 PolarHBondContact O-N 2.88Å
296C94.2Very high91.6Very high33 Ų33103.7 Ų103.722%0.22353%0.526CS..  trans-75112-175.8-178.10000111.2N292 P293 L298 F299 Q300N292-C296 WeakPolarHBondContact O-CB 3.32Å; N292-C296 PolarHBondContact O-N 3.31Å; P293-C296 WeakPolarHBondContact O-CB 3.3Å; P293-C296 PolarHBondContact O-N 3.29Å; C296-L298 PolarHBondContact O-N 3.5Å; C296-F299 HydrophobicContact CB-CB 3.77Å; C296-F299 PolarHBondContact O-N 2.86Å; C296-F299 PolarHBondContact SG-N 2.92Å; C296-F299 VanDerWaalsContact SG-N 3.38Å; C296-Q300 PolarHBondContact O-N 3.17Å
297K92.4Very high91.5Very high163 Ų163100.4 Ų100.471%0.70952%0.521SS*.Hα-helixtrans-60.4-42.4176.1-64.1-174.3178.5-175.10113S295 F299 Q300 E301S295-K297 PolarHBondContact O-N 2.88Å; K297-F299 VanDerWaalsContact C-N 3.26Å; K297-F299 PolarHBondContact O-N 3.43Å; K297-Q300 PolarHBondContact O-N 3.4Å; K297-E301 WeakPolarHBondContact O-CB 3.28Å; K297-E301 WeakPolarHBondContact O-CG 3.35Å; K297-E301 PolarHBondContact O-N 3.38Å
298L92.3Very high91.4Very high62 Ų62100.4 Ų100.433%0.32551%0.513SS..Hα-helixtrans-62.1-37.1178.6-174.471.9000111.5P275 C279 C296 F302P275-L298 HydrophobicContact CB-CD2 3.87Å; P275-L298 HydrophobicContact CB-CG 3.85Å; P275-L298 WeakPolarHBondContact O-CD2 3.46Å; C279-L298 HydrophobicContact CB-CD2 3.85Å; C296-L298 PolarHBondContact O-N 3.5Å; L298-F302 WeakPolarHBondContact O-CB 3.44Å; L298-F302 PolarHBondContact O-N 2.85Å
299F91.5Very high91.5Very high86 Ų8697.5 Ų97.538%0.37750%0.496SS..Hα-helixtrans-74.4-38.9178-162.5-112.4000111.4P275 C296 K297 F302 L303P275-F299 HydrophobicContact CG-CD2 3.6Å; P275-F299 HydrophobicContact CG-CE2 4.12Å; C296-F299 HydrophobicContact CB-CB 3.77Å; C296-F299 PolarHBondContact O-N 2.86Å; C296-F299 PolarHBondContact SG-N 2.92Å; C296-F299 VanDerWaalsContact SG-N 3.38Å; K297-F299 VanDerWaalsContact C-N 3.26Å; K297-F299 PolarHBondContact O-N 3.43Å; F299-F302 WeakPolarHBondContact O-CB 3.4Å; F299-F302 PolarHBondContact O-N 3.31Å; F299-L303 HydrophobicContact CD1-CD1 3.83Å; F299-L303 HydrophobicContact CE1-CD1 3.59Å; F299-L303 HydrophobicContact CE1-CG 4.42Å; F299-L303 HydrophobicContact CZ-CD1 4.19Å; F299-L303 WeakPolarHBondContact O-CG 3.4Å; F299-L303 PolarHBondContact O-N 2.87Å; F299-L303 VanDerWaalsContact O-N 3.14Å
300Q91.4Very high91.5Very high116 Ų116102.4 Ų102.454%0.54252%0.516SS..Hα-helixtrans-65-50.9176.2-173.9176.2-8.500111.5C296 K297 F302 L303 E304C296-Q300 PolarHBondContact O-N 3.17Å; K297-Q300 PolarHBondContact O-N 3.4Å; Q300-F302 PolarHBondContact O-N 2.74Å; Q300-L303 PolarHBondContact O-N 3.06Å; Q300-E304 PolarHBondContact NE2-OE1 3.09Å; Q300-E304 WeakPolarHBondContact O-CG 3.33Å; Q300-E304 PolarHBondContact O-N 2.98Å; Q300-E304 VanDerWaalsContact O-N 3.16Å
301E91.6Very high91.4Very high108 Ų108100.5 Ų100.551%0.50549%0.493SS..Hα-helixtrans-54.4-45.3172.3-74.2173.7-162.500109.8K297 L303 E304 F305K297-E301 WeakPolarHBondContact O-CB 3.28Å; K297-E301 WeakPolarHBondContact O-CG 3.35Å; K297-E301 PolarHBondContact O-N 3.38Å; E301-L303 PolarHBondContact O-N 3.39Å; E301-L303 VanDerWaalsContact O-N 3.11Å; E301-E304 PolarHBondContact O-N 3.03Å; E301-F305 VanDerWaalsContact C-CZ 3.49Å; E301-F305 WeakPolarHBondContact O-CD1 3.44Å; E301-F305 WeakPolarHBondContact O-CE1 3.46Å; E301-F305 WeakPolarHBondContact O-CE2 3.38Å; E301-F305 WeakPolarHBondContact O-CZ 3.18Å
302F90.3Very high91.2Very high82 Ų82102.6 Ų102.636%0.3650%0.503SS..Hα-helixtrans-56.5-28.6177.8-174.1-96.8000114.8N273 P275 L298 F299 Q300 F305N273-F302 WeakPolarHBondContact O-CE2 3.36Å; N273-F302 WeakPolarHBondContact O-CZ 3.28Å; P275-F302 HydrophobicContact CB-CB 4.15Å; P275-F302 HydrophobicContact CB-CD2 4.37Å; P275-F302 HydrophobicContact CB-CG 4.18Å; P275-F302 HydrophobicContact CG-CB 3.92Å; P275-F302 HydrophobicContact CG-CD1 3.87Å; P275-F302 HydrophobicContact CG-CD2 4.22Å; P275-F302 HydrophobicContact CG-CE1 4.48Å; P275-F302 HydrophobicContact CG-CG 3.71Å; L298-F302 WeakPolarHBondContact O-CB 3.44Å; L298-F302 PolarHBondContact O-N 2.85Å; F299-F302 WeakPolarHBondContact O-CB 3.4Å; F299-F302 PolarHBondContact O-N 3.31Å; Q300-F302 PolarHBondContact O-N 2.74Å; F302-F305 VanDerWaalsContact C-CE2 3.44Å; F302-F305 HydrophobicContact CB-CE2 4.25Å; F302-F305 HydrophobicContact CB-CZ 4.46Å; F302-F305 AromaticContact CD2-CE2 3.87Å; F302-F305 HydrophobicContact CD2-CE2 3.87Å; F302-F305 HydrophobicContact CG-CE2 4.23Å; F302-F305 WeakPolarHBondContact O-CD2 3.31Å; F302-F305 WeakPolarHBondContact O-CE2 3.49Å
303L90.8Very high91Very high110 Ų110108.9 Ų108.958%0.57653%0.533SS*.Hα-helixtrans-95.8-8.1-179.1-67.7174.2000113.5F299 Q300 E301 F305F299-L303 HydrophobicContact CD1-CD1 3.83Å; F299-L303 HydrophobicContact CE1-CD1 3.59Å; F299-L303 HydrophobicContact CE1-CG 4.42Å; F299-L303 HydrophobicContact CZ-CD1 4.19Å; F299-L303 WeakPolarHBondContact O-CG 3.4Å; F299-L303 PolarHBondContact O-N 2.87Å; F299-L303 VanDerWaalsContact O-N 3.14Å; Q300-L303 PolarHBondContact O-N 3.06Å; E301-L303 PolarHBondContact O-N 3.39Å; E301-L303 VanDerWaalsContact O-N 3.11Å; L303-F305 VanDerWaalsContact C-N 3.29Å
304E91.1Very high90.7Very high137 Ų137112.3 Ų112.364%0.6454%0.54SS*.  trans-80-9.8-179.3-79.4175.6-173.500113.3Q300 E301Q300-E304 PolarHBondContact NE2-OE1 3.09Å; Q300-E304 WeakPolarHBondContact O-CG 3.33Å; Q300-E304 PolarHBondContact O-N 2.98Å; Q300-E304 VanDerWaalsContact O-N 3.16Å; E301-E304 PolarHBondContact O-N 3.03Å
305F78.1Confident90.6Very high203 Ų203106.9 Ų106.989%0.8952%0.516SS*.  trans-114.30176.823-103.4000112.7E301 F302 L303E301-F305 VanDerWaalsContact C-CZ 3.49Å; E301-F305 WeakPolarHBondContact O-CD1 3.44Å; E301-F305 WeakPolarHBondContact O-CE1 3.46Å; E301-F305 WeakPolarHBondContact O-CE2 3.38Å; E301-F305 WeakPolarHBondContact O-CZ 3.18Å; F302-F305 VanDerWaalsContact C-CE2 3.44Å; F302-F305 HydrophobicContact CB-CE2 4.25Å; F302-F305 HydrophobicContact CB-CZ 4.46Å; F302-F305 AromaticContact CD2-CE2 3.87Å; F302-F305 HydrophobicContact CD2-CE2 3.87Å; F302-F305 HydrophobicContact CG-CE2 4.23Å; F302-F305 WeakPolarHBondContact O-CD2 3.31Å; F302-F305 WeakPolarHBondContact O-CE2 3.49Å; L303-F305 VanDerWaalsContact C-N 3.29Å

Retrieved 305 of 305 residues in 88.1 ms (Link to these results)