A0A077YZV8_TRITR Loading...

Protein CBG14248

AlphaFold DB , UniProt , Accession A0A077YZV8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 526 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M59.7Low79.2Confident157 Ų157108.7 Ų108.777%0.77356%0.564SS**  0132.10-92.3-178.5-78.400108W6 L9M1-W6 HydrophobicContact CE-CZ2 4.45Å; M1-L9 HydrophobicContact CE-CD1 4.25Å; M1-L9 HydrophobicContact SD-CD1 3.46Å; M1-L9 WeakPolarHBondContact SD-CD1 3.13Å
2D78.6Confident80Confident93 Ų93109.5 Ų109.550%0.49757%0.568SS.*  trans-74.6170172.360.92.2000110.8L4 S5 W6D2-L4 PolarHBondContact O-N 2.76Å; D2-S5 PolarHBondContact O-N 3.16Å; D2-S5 WeakPolarHBondContact OD1-CB 3.33Å; D2-S5 PolarHBondContact OD1-N 2.98Å; D2-S5 PolarHBondContact OD1-OG 2.88Å; D2-W6 PolarHBondContact O-N 3.02Å
3A75.6Confident80.5Confident83 Ų83104.4 Ų104.469%0.68656%0.558SS**Hα-helixtrans-59.8-32.2-18000000112.4W6 L7A3-W6 PolarHBondContact O-N 3.08Å; A3-L7 WeakPolarHBondContact O-CB 3.28Å; A3-L7 PolarHBondContact O-N 2.83Å
4L77.7Confident81.1Confident118 Ų118106.4 Ų106.462%0.61856%0.56SS**Hα-helixtrans-65.6-45.7177.1-169.283.8000111.6D2 W6 L7 L8D2-L4 PolarHBondContact O-N 2.76Å; L4-W6 VanDerWaalsContact C-N 3.29Å; L4-W6 PolarHBondContact O-N 3.4Å; L4-L7 PolarHBondContact O-N 2.94Å; L4-L8 HydrophobicContact CG-CD1 4.38Å; L4-L8 PolarHBondContact O-N 3.05Å
5S77.2Confident81.3Confident43 Ų43103 Ų10330%0.30155%0.553SS.*Hα-helixtrans-61.3-39.4177.1-59.60000111.6D2 L9D2-S5 PolarHBondContact O-N 3.16Å; D2-S5 WeakPolarHBondContact OD1-CB 3.33Å; D2-S5 PolarHBondContact OD1-N 2.98Å; D2-S5 PolarHBondContact OD1-OG 2.88Å; S5-L9 WeakPolarHBondContact O-CB 3.4Å; S5-L9 WeakPolarHBondContact O-CG 3.13Å; S5-L9 PolarHBondContact O-N 3.4Å
6W82.5Confident81.7Confident152 Ų15298.6 Ų98.658%0.57654%0.539SS*.Hα-helixtrans-64.1-43.2173.9-87.6110.3000112.3M1 D2 A3 L4 L9 C10M1-W6 HydrophobicContact CE-CZ2 4.45Å; D2-W6 PolarHBondContact O-N 3.02Å; A3-W6 PolarHBondContact O-N 3.08Å; L4-W6 VanDerWaalsContact C-N 3.29Å; L4-W6 PolarHBondContact O-N 3.4Å; W6-L9 PolarHBondContact O-N 3.22Å; W6-C10 PolarHBondContact O-N 3.25Å; W6-C10 PolarHBondContact O-SG 2.98Å; W6-C10 VanDerWaalsContact O-SG 3.32Å
7L81.9Confident82.1Confident106 Ų10698.8 Ų98.856%0.55554%0.539SS*.Hα-helixtrans-66.9-39.4-179.5-155.4145.1000111.6A3 L4 C10 W11A3-L7 WeakPolarHBondContact O-CB 3.28Å; A3-L7 PolarHBondContact O-N 2.83Å; L4-L7 PolarHBondContact O-N 2.94Å; L7-C10 PolarHBondContact O-N 3.36Å; L7-W11 WeakPolarHBondContact O-CB 3.14Å; L7-W11 PolarHBondContact O-N 3.49Å
8L83.9Confident82.3Confident98 Ų9896.4 Ų96.451%0.51353%0.528SS..Hα-helixtrans-63.6-43.4172.4-80.2166.4000112.1L4 C10 W11 I12L4-L8 HydrophobicContact CG-CD1 4.38Å; L4-L8 PolarHBondContact O-N 3.05Å; L8-C10 VanDerWaalsContact C-N 3.35Å; L8-C10 PolarHBondContact O-N 3.49Å; L8-W11 PolarHBondContact O-N 3.19Å; L8-I12 VanDerWaalsContact O-CG1 3.3Å; L8-I12 WeakPolarHBondContact O-CG1 3.43Å; L8-I12 PolarHBondContact O-N 3.48Å
9L83.5Confident82.5Confident87 Ų8798.7 Ų98.746%0.45553%0.529SS..Hα-helixtrans-62.1-41.6174.6-83.5164000112M1 S5 W6 W11 I12 G13M1-L9 HydrophobicContact CE-CD1 4.25Å; M1-L9 HydrophobicContact SD-CD1 3.46Å; M1-L9 WeakPolarHBondContact SD-CD1 3.13Å; S5-L9 WeakPolarHBondContact O-CB 3.4Å; S5-L9 WeakPolarHBondContact O-CG 3.13Å; S5-L9 PolarHBondContact O-N 3.4Å; W6-L9 PolarHBondContact O-N 3.22Å; L9-W11 VanDerWaalsContact C-N 3.33Å; L9-W11 PolarHBondContact O-N 3.09Å; L9-I12 PolarHBondContact O-N 2.87Å; L9-G13 PolarHBondContact O-N 3.27Å
10C86.9Confident82.7Confident84 Ų8499.3 Ų99.357%0.56853%0.531SS*.Hα-helixtrans-62.9-39.7173.8-71.50000112W6 L7 L8 G13 F14W6-C10 PolarHBondContact O-N 3.25Å; W6-C10 PolarHBondContact O-SG 2.98Å; W6-C10 VanDerWaalsContact O-SG 3.32Å; L7-C10 PolarHBondContact O-N 3.36Å; L8-C10 VanDerWaalsContact C-N 3.35Å; L8-C10 PolarHBondContact O-N 3.49Å; C10-G13 PolarHBondContact O-N 3.06Å; C10-F14 WeakPolarHBondContact O-CB 3.19Å; C10-F14 PolarHBondContact O-N 3.41Å
11W83.5Confident82.6Confident175 Ų17599.6 Ų99.666%0.66353%0.532SS*.Hα-helixtrans-67-42.8176.4-100.381.5000112.9L7 L8 L9 G13 F14 A15L7-W11 WeakPolarHBondContact O-CB 3.14Å; L7-W11 PolarHBondContact O-N 3.49Å; L8-W11 PolarHBondContact O-N 3.19Å; L9-W11 VanDerWaalsContact C-N 3.33Å; L9-W11 PolarHBondContact O-N 3.09Å; W11-G13 VanDerWaalsContact C-N 3.31Å; W11-F14 PolarHBondContact O-N 3.5Å; W11-A15 WeakPolarHBondContact O-CB 3.34Å; W11-A15 PolarHBondContact O-N 3.15Å
12I89.6Confident83.2Confident118 Ų11896.3 Ų96.361%0.60552%0.518SS*.Hα-helixtrans-63.1-41.7174.2-67.4165.7000109.9L8 L9 A15 G16L8-I12 VanDerWaalsContact O-CG1 3.3Å; L8-I12 WeakPolarHBondContact O-CG1 3.43Å; L8-I12 PolarHBondContact O-N 3.48Å; L9-I12 PolarHBondContact O-N 2.87Å; I12-A15 PolarHBondContact O-N 3.39Å; I12-G16 PolarHBondContact O-N 3.06Å
13G86.6Confident83.1Confident43 Ų4396.8 Ų96.844%0.44352%0.517SS..Hα-helixtrans-60.6-45.6174.100000112.5L9 C10 W11 G16 L17L9-G13 PolarHBondContact O-N 3.27Å; C10-G13 PolarHBondContact O-N 3.06Å; W11-G13 VanDerWaalsContact C-N 3.31Å; G13-G16 PolarHBondContact O-N 3.3Å; G13-L17 WeakPolarHBondContact O-CB 3.19Å; G13-L17 PolarHBondContact O-N 3.45Å
14F88.2Confident82.9Confident133 Ų13395.3 Ų95.358%0.58350%0.504SS*.Hα-helixtrans-65.1-44.4177.2-175.1-102.4000112C10 W11 G16 L17 V18C10-F14 WeakPolarHBondContact O-CB 3.19Å; C10-F14 PolarHBondContact O-N 3.41Å; W11-F14 PolarHBondContact O-N 3.5Å; F14-G16 VanDerWaalsContact C-N 3.33Å; F14-G16 PolarHBondContact O-N 3.44Å; F14-L17 PolarHBondContact O-N 3.08Å; F14-L17 VanDerWaalsContact O-N 3.16Å; F14-V18 HydrophobicContact CD1-CG2 4.12Å; F14-V18 HydrophobicContact CE1-CG2 3.75Å; F14-V18 HydrophobicContact CE2-CG2 4.38Å; F14-V18 HydrophobicContact CZ-CG2 3.89Å; F14-V18 WeakPolarHBondContact O-CG2 3.48Å; F14-V18 PolarHBondContact O-N 3.13Å
15A84.7Confident82.2Confident55 Ų5592.7 Ų92.746%0.45550%0.496SS..Hα-helixtrans-61.4-41.1175.200000111.8W11 I12 V18 Y19W11-A15 WeakPolarHBondContact O-CB 3.34Å; W11-A15 PolarHBondContact O-N 3.15Å; I12-A15 PolarHBondContact O-N 3.39Å; A15-V18 PolarHBondContact O-N 3.43Å; A15-Y19 WeakPolarHBondContact O-CB 3.28Å; A15-Y19 PolarHBondContact O-N 3.48Å
16G87.9Confident81.4Confident32 Ų3298 Ų9833%0.3351%0.514SS..Hα-helixtrans-62.7-39.717300000112.7I12 G13 F14 Y19 L20I12-G16 PolarHBondContact O-N 3.06Å; G13-G16 PolarHBondContact O-N 3.3Å; F14-G16 VanDerWaalsContact C-N 3.33Å; F14-G16 PolarHBondContact O-N 3.44Å; G16-Y19 PolarHBondContact O-N 2.8Å; G16-L20 WeakPolarHBondContact O-CB 3.37Å; G16-L20 VanDerWaalsContact O-CG 3.27Å; G16-L20 WeakPolarHBondContact O-CG 3.32Å; G16-L20 PolarHBondContact O-N 3.15Å
17L87.9Confident80.3Confident102 Ų10295.4 Ų95.453%0.53452%0.519SS..Hα-helixtrans-69.5-41.6178.3-150.3159000111.5G13 F14 L20 L21G13-L17 WeakPolarHBondContact O-CB 3.19Å; G13-L17 PolarHBondContact O-N 3.45Å; F14-L17 PolarHBondContact O-N 3.08Å; F14-L17 VanDerWaalsContact O-N 3.16Å; L17-L20 PolarHBondContact O-N 2.88Å; L17-L21 HydrophobicContact CD2-CD1 3.52Å; L17-L21 HydrophobicContact CD2-CG 4.04Å; L17-L21 WeakPolarHBondContact O-CB 3.42Å; L17-L21 WeakPolarHBondContact O-CG 3.26Å; L17-L21 PolarHBondContact O-N 2.85Å
18V85.7Confident78.8Confident57 Ų5794.1 Ų94.135%0.34552%0.524SS..Hα-helixtrans-63-42.6172.6172.40000110.9F14 A15 L21 L22F14-V18 HydrophobicContact CD1-CG2 4.12Å; F14-V18 HydrophobicContact CE1-CG2 3.75Å; F14-V18 HydrophobicContact CE2-CG2 4.38Å; F14-V18 HydrophobicContact CZ-CG2 3.89Å; F14-V18 WeakPolarHBondContact O-CG2 3.48Å; F14-V18 PolarHBondContact O-N 3.13Å; A15-V18 PolarHBondContact O-N 3.43Å; V18-L21 PolarHBondContact O-N 2.77Å; V18-L22 HydrophobicContact CG1-CD1 3.98Å; V18-L22 HydrophobicContact CG1-CG 4.45Å; V18-L22 WeakPolarHBondContact O-CB 3.36Å; V18-L22 WeakPolarHBondContact O-CG 3.2Å; V18-L22 PolarHBondContact O-N 3.21Å
19Y86.5Confident76.9Confident140 Ų14098.8 Ų98.855%0.54953%0.534SS..Hα-helixtrans-60.4-46.9175177.1-93.6000111.7A15 G16 L22 Q23A15-Y19 WeakPolarHBondContact O-CB 3.28Å; A15-Y19 PolarHBondContact O-N 3.48Å; G16-Y19 PolarHBondContact O-N 2.8Å; Y19-L22 PolarHBondContact O-N 2.81Å; Y19-Q23 WeakPolarHBondContact O-CB 3.45Å; Y19-Q23 PolarHBondContact O-N 3.24Å
20L85.6Confident74.8Confident109 Ų10999.5 Ų99.557%0.57155%0.545SS*.Hα-helixtrans-65.1-38.8177.4-71.8171.3000112.3G16 L17 Q23 A24G16-L20 WeakPolarHBondContact O-CB 3.37Å; G16-L20 VanDerWaalsContact O-CG 3.27Å; G16-L20 WeakPolarHBondContact O-CG 3.32Å; G16-L20 PolarHBondContact O-N 3.15Å; L17-L20 PolarHBondContact O-N 2.88Å; L20-Q23 PolarHBondContact O-N 2.86Å; L20-A24 VanDerWaalsContact O-CB 3.24Å; L20-A24 WeakPolarHBondContact O-CB 3.44Å; L20-A24 PolarHBondContact O-N 3.1Å
21L80.1Confident72.7Confident106 Ų106103.9 Ų103.956%0.55556%0.557SS**Hα-helixtrans-63.1-44.8173.9-85.5166.4000111.4L17 V18 A24 S25L17-L21 HydrophobicContact CD2-CD1 3.52Å; L17-L21 HydrophobicContact CD2-CG 4.04Å; L17-L21 WeakPolarHBondContact O-CB 3.42Å; L17-L21 WeakPolarHBondContact O-CG 3.26Å; L17-L21 PolarHBondContact O-N 2.85Å; V18-L21 PolarHBondContact O-N 2.77Å; L21-A24 PolarHBondContact O-N 3.26Å; L21-S25 WeakPolarHBondContact O-CB 3.38Å; L21-S25 PolarHBondContact O-N 2.98Å; L21-S25 PolarHBondContact O-OG 3.33Å; L21-S25 VanDerWaalsContact O-OG 3.09Å
22L74.2Confident70.4Confident89 Ų89100 Ų10047%0.46656%0.561SS.*Hα-helixtrans-60.6-50.2174.6-75.3168.5000109.8V18 Y19 A24 S25 F26V18-L22 HydrophobicContact CG1-CD1 3.98Å; V18-L22 HydrophobicContact CG1-CG 4.45Å; V18-L22 WeakPolarHBondContact O-CB 3.36Å; V18-L22 WeakPolarHBondContact O-CG 3.2Å; V18-L22 PolarHBondContact O-N 3.21Å; Y19-L22 PolarHBondContact O-N 2.81Å; L22-A24 VanDerWaalsContact C-N 3.32Å; L22-A24 PolarHBondContact O-N 3.12Å; L22-S25 WeakPolarHBondContact CA-OG 3.42Å; L22-S25 PolarHBondContact O-N 3.46Å; L22-S25 VanDerWaalsContact O-N 3.14Å; L22-S25 PolarHBondContact O-OG 2.87Å; L22-F26 HydrophobicContact CB-CD2 4.43Å; L22-F26 HydrophobicContact CD2-CE2 4.28Å; L22-F26 WeakPolarHBondContact O-CB 3.13Å; L22-F26 WeakPolarHBondContact O-CD2 3.29Å; L22-F26 PolarHBondContact O-N 2.81Å
23Q75.4Confident67.7Low103 Ų10398.7 Ų98.748%0.48157%0.569SS.*Hα-helixtrans-59.5-41.8178.9-136.1-175.67.500112.3Y19 L20 F26 S27Y19-Q23 WeakPolarHBondContact O-CB 3.45Å; Y19-Q23 PolarHBondContact O-N 3.24Å; L20-Q23 PolarHBondContact O-N 2.86Å; Q23-F26 PolarHBondContact O-N 2.88Å; Q23-S27 VanDerWaalsContact O-CB 3.3Å; Q23-S27 WeakPolarHBondContact O-CB 3.36Å; Q23-S27 PolarHBondContact O-N 3.25Å; Q23-S27 PolarHBondContact O-OG 2.99Å
24A71.2Confident65Low51 Ų51102.1 Ų102.142%0.42158%0.581SS.*Hα-helixtrans-63.2-46.1175.300000111.2L20 L21 L22 F26 S27 A28L20-A24 VanDerWaalsContact O-CB 3.24Å; L20-A24 WeakPolarHBondContact O-CB 3.44Å; L20-A24 PolarHBondContact O-N 3.1Å; L21-A24 PolarHBondContact O-N 3.26Å; L22-A24 VanDerWaalsContact C-N 3.32Å; L22-A24 PolarHBondContact O-N 3.12Å; A24-F26 PolarHBondContact O-N 2.78Å; A24-S27 WeakPolarHBondContact CA-OG 3.35Å; A24-S27 PolarHBondContact O-N 2.76Å; A24-S27 PolarHBondContact O-OG 3.35Å; A24-A28 VanDerWaalsContact O-CB 3.31Å; A24-A28 WeakPolarHBondContact O-CB 3.36Å; A24-A28 PolarHBondContact O-N 3.39Å
25S63.8Low62.2Low63 Ų63100.6 Ų100.644%0.44159%0.586SS.*Hα-helixtrans-65.1-36.5178.365.10000113.1L21 L22 W29L21-S25 WeakPolarHBondContact O-CB 3.38Å; L21-S25 PolarHBondContact O-N 2.98Å; L21-S25 PolarHBondContact O-OG 3.33Å; L21-S25 VanDerWaalsContact O-OG 3.09Å; L22-S25 WeakPolarHBondContact CA-OG 3.42Å; L22-S25 PolarHBondContact O-N 3.46Å; L22-S25 VanDerWaalsContact O-N 3.14Å; L22-S25 PolarHBondContact O-OG 2.87Å; S25-W29 PolarHBondContact O-N 3.43Å
26F60.6Low59.6Low155 Ų155104.4 Ų104.468%0.6860%0.599SS**Hα-helixtrans-72.7-35.1173.6-81.9-70.4000112.2L22 Q23 A24 W29L22-F26 HydrophobicContact CB-CD2 4.43Å; L22-F26 HydrophobicContact CD2-CE2 4.28Å; L22-F26 WeakPolarHBondContact O-CB 3.13Å; L22-F26 WeakPolarHBondContact O-CD2 3.29Å; L22-F26 PolarHBondContact O-N 2.81Å; Q23-F26 PolarHBondContact O-N 2.88Å; A24-F26 PolarHBondContact O-N 2.78Å; F26-W29 WeakPolarHBondContact O-CB 3.29Å; F26-W29 PolarHBondContact O-N 2.97Å
27S58.9Low57.2Low97 Ų97109.4 Ų109.468%0.67861%0.613SS**Hα-helixtrans-72.2-28.9175.172.10000113.2Q23 A24 W29Q23-S27 VanDerWaalsContact O-CB 3.3Å; Q23-S27 WeakPolarHBondContact O-CB 3.36Å; Q23-S27 PolarHBondContact O-N 3.25Å; Q23-S27 PolarHBondContact O-OG 2.99Å; A24-S27 WeakPolarHBondContact CA-OG 3.35Å; A24-S27 PolarHBondContact O-N 2.76Å; A24-S27 PolarHBondContact O-OG 3.35Å; S27-W29 VanDerWaalsContact C-N 3.27Å
28A49.9Very low54.5Low80 Ų80108.1 Ų108.166%0.66162%0.617SS**THydrogen-bonded Turntrans-80.7-9.2175.500000112.7A24A24-A28 VanDerWaalsContact O-CB 3.31Å; A24-A28 WeakPolarHBondContact O-CB 3.36Å; A24-A28 PolarHBondContact O-N 3.39Å
29W45.1Very low52Low195 Ų195113.2 Ų113.274%0.73964%0.637SS**SBendtrans-69.4125.6173.5-161.3-90.8000108.9S25 F26 S27 Q31S25-W29 PolarHBondContact O-N 3.43Å; F26-W29 WeakPolarHBondContact O-CB 3.29Å; F26-W29 PolarHBondContact O-N 2.97Å; S27-W29 VanDerWaalsContact C-N 3.27Å; W29-Q31 PolarHBondContact O-N 3.19Å
30P38.8Very low49.6Very low103 Ų103111.5 Ų111.567%0.66964%0.642SS**  trans-55.2114.7179.8-20.129.9000108.9A32P30-A32 VanDerWaalsContact C-N 3.27Å; P30-A32 PolarHBondContact O-N 3.05Å
31Q42.9Very low47.1Very low176 Ų176110.6 Ų110.682%0.82264%0.641SS**  trans-62.398.1168.5-73.5-176.7-16.300106.4W29 A33W29-Q31 PolarHBondContact O-N 3.19Å; Q31-A33 PolarHBondContact O-N 3.32Å; Q31-A33 VanDerWaalsContact O-N 3.17Å
32A34.7Very low44.8Very low92 Ų92113.1 Ų113.176%0.7665%0.651SS**  trans-49.2125.4168.800000107.3P30 T34P30-A32 VanDerWaalsContact C-N 3.27Å; P30-A32 PolarHBondContact O-N 3.05Å; A32-T34 PolarHBondContact O-N 3.47Å
33A32Very low42.9Very low92 Ų92117.8 Ų117.876%0.7667%0.668SS**  trans-21.6115.3-175.500000113.2Q31 C35Q31-A33 PolarHBondContact O-N 3.32Å; Q31-A33 VanDerWaalsContact O-N 3.17Å; A33-C35 PolarHBondContact O-N 3.02Å
34T30.2Very low40.9Very low114 Ų114116.4 Ų116.470%0.69967%0.674SS**  trans-47.7100.1168.347.90000109A32 D36A32-T34 PolarHBondContact O-N 3.47Å; T34-D36 PolarHBondContact O-N 3.2Å
35C30.9Very low39Very low101 Ų101120.3 Ų120.368%0.68269%0.687SS**  trans-77.7109.3174.2-162.10000106.9A33 H37A33-C35 PolarHBondContact O-N 3.02Å; C35-H37 PolarHBondContact O-N 3.13Å
36D30.1Very low37.5Very low136 Ų136126 Ų12673%0.72771%0.706SS**THydrogen-bonded Turntrans-61.924.4-172.9-97.3-25.9000116.2T34T34-D36 PolarHBondContact O-N 3.2Å
37H35.9Very low36.1Very low136 Ų136121.2 Ų121.263%0.6370%0.701SS**THydrogen-bonded Turntrans-85.9-8-177-80.977.8000114.7C35C35-H37 PolarHBondContact O-N 3.13Å
38A32.3Very low34.7Very low76 Ų76123.6 Ų123.663%0.62871%0.712SS**Hα-helixtrans-71.7-30.8-177.600000113.7M42A38-M42 PolarHBondContact O-N 2.86Å
39Q33.9Very low33.7Very low164 Ų164122.8 Ų122.877%0.76671%0.711SS**Hα-helixtrans-76.4-23.9-178.4-81.2-172.4-10.100113.9
40T35.9Very low32.9Very low104 Ų104120.7 Ų120.764%0.63872%0.72SS**Hα-helixtrans-73.4-34.1176.7-52.50000111.5
41V33.2Very low32.4Very low90 Ų90122 Ų12255%0.54573%0.726SS.*Hα-helixtrans-73.6-38-179.2-177.70000111.6K43 A44 L45V41-K43 VanDerWaalsContact C-N 3.26Å; V41-K43 PolarHBondContact O-N 2.94Å; V41-A44 PolarHBondContact O-N 2.93Å; V41-L45 HydrophobicContact CG1-CD1 4.07Å
42M31.7Very low31.7Very low158 Ų158120.5 Ų120.578%0.77873%0.729SS**Hα-helixtrans-65.7-25.3178.7-74.3-150.1123.400114.1A38A38-M42 PolarHBondContact O-N 2.86Å
43K32.6Very low31.5Very low188 Ų188122.2 Ų122.282%0.81773%0.729SS**Hα-helixtrans-78.5-20.2172.5-84.6-177.4176.9174.60113.8V41V41-K43 VanDerWaalsContact C-N 3.26Å; V41-K43 PolarHBondContact O-N 2.94Å
44A34.1Very low31.4Very low73 Ų73123.1 Ų123.160%0.60373%0.73SS**Hα-helixtrans-80.5-20.8179.600000113.3V41 H46 G47V41-A44 PolarHBondContact O-N 2.93Å; A44-H46 VanDerWaalsContact C-N 3.3Å; A44-H46 PolarHBondContact O-N 3.02Å; A44-G47 PolarHBondContact O-N 2.73Å
45L31.3Very low31.9Very low133 Ų133122.3 Ų122.370%0.69674%0.735SS**THydrogen-bonded Turntrans-78.2-2.3-176.3-93.7119.4000115.8V41 G47V41-L45 HydrophobicContact CG1-CD1 4.07Å; L45-G47 PolarHBondContact O-N 3.39Å
46H32.5Very low32.4Very low182 Ų182125.7 Ų125.784%0.84374%0.741SS**THydrogen-bonded Turntrans-835169.6-78.8-125.5000113.2A44A44-H46 VanDerWaalsContact C-N 3.3Å; A44-H46 PolarHBondContact O-N 3.02Å
47G30.6Very low33Very low56 Ų56123.9 Ų123.958%0.57774%0.736SS**SBendtrans-94.9103.4173.200000112.5A44 L45A44-G47 PolarHBondContact O-N 2.73Å; L45-G47 PolarHBondContact O-N 3.39Å
48T30.5Very low33.7Very low147 Ų147123.4 Ų123.490%0.90274%0.737SS**  trans-20.3121.4161.548.60000116.4
49G29.2Very low34.8Very low62 Ų62125.7 Ų125.764%0.63974%0.743SS**  trans165.695.6165.400000114.8T51G49-T51 PolarHBondContact O-N 3.03Å; G49-T51 VanDerWaalsContact O-N 3.13Å; G49-T51 PolarHBondContact O-OG1 3.32Å
50T26.9Very low36.3Very low152 Ų152121 Ų12193%0.93373%0.729SS**  trans-51.3109171.733.50000112.5
51T28Very low38.2Very low131 Ų131116.8 Ų116.880%0.80470%0.703SS**  trans-135.4141.9164.520.80000110.7G49 V53G49-T51 PolarHBondContact O-N 3.03Å; G49-T51 VanDerWaalsContact O-N 3.13Å; G49-T51 PolarHBondContact O-OG1 3.32Å; T51-V53 PolarHBondContact O-N 3.36Å
52V28.9Very low40.4Very low144 Ų144115.8 Ų115.887%0.87370%0.697SS**  trans-57.6120.6-167.8177.10000111.5S54V52-S54 PolarHBondContact O-N 3.42Å
53V29.9Very low43Very low128 Ų128116 Ų11678%0.77669%0.689SS**  trans-67.9112-179.8177.30000109.6T51 A55T51-V53 PolarHBondContact O-N 3.36Å; V53-A55 PolarHBondContact O-N 3.39Å
54S31.6Very low45.6Very low111 Ų111108.8 Ų108.878%0.77666%0.659SS**  trans-62.9115.5157.4-52.70000107.2V52 E56V52-S54 PolarHBondContact O-N 3.42Å; S54-E56 PolarHBondContact O-N 2.79Å
55A39Very low48.2Very low96 Ų96106.2 Ų106.279%0.79364%0.635SS**  trans-58.3107.8-17800000109.8V53V53-A55 PolarHBondContact O-N 3.39Å
56E41.8Very low50.9Low173 Ų173104.4 Ų104.481%0.80862%0.623SS**  trans-54.4137.2168.7-81178.6150.700108.8S54 I58S54-E56 PolarHBondContact O-N 2.79Å; E56-I58 PolarHBondContact O-N 3.04Å
57P43.2Very low53.5Low98 Ų9898.9 Ų98.964%0.63660%0.602SS**  trans-58.4115.1177.123.6-30.3000107.7T59P57-T59 PolarHBondContact O-N 3.45Å
58I51.2Low56.1Low126 Ų12697.8 Ų97.865%0.64658%0.582SS**  trans-45.8122.1172.5-56.2170.5000106.2E56 S60 T61E56-I58 PolarHBondContact O-N 3.04Å; I58-S60 WeakPolarHBondContact CG2-OG 3.37Å; I58-S60 PolarHBondContact O-N 3.49Å; I58-T61 PolarHBondContact O-N 2.87Å; I58-T61 PolarHBondContact O-OG1 3.16Å
59T54.4Low58.7Low123 Ų12394.5 Ų94.576%0.75555%0.554SS**G310 helixtrans-50.2-18.9-17449.60000113.8P57 T61P57-T59 PolarHBondContact O-N 3.45Å; T59-T61 VanDerWaalsContact C-N 3.33Å; T59-T61 PolarHBondContact O-N 3.27Å
60S66Low61.3Low66 Ų6698.3 Ų98.346%0.46255%0.549SS..G310 helixtrans-66.8-21.3177.766.10000115.4I58 W63I58-S60 WeakPolarHBondContact CG2-OG 3.37Å; I58-S60 PolarHBondContact O-N 3.49Å; S60-W63 PolarHBondContact O-NE1 2.98Å
61T74.5Confident64Low16 Ų1694.2 Ų94.210%0.09852%0.521CS..G310 helixtrans-95.4-9.4179.962.70000113.8I58 T59 I64 N65 I129I58-T61 PolarHBondContact O-N 2.87Å; I58-T61 PolarHBondContact O-OG1 3.16Å; T59-T61 VanDerWaalsContact C-N 3.33Å; T59-T61 PolarHBondContact O-N 3.27Å; T61-I64 VanDerWaalsContact O-CG2 3.24Å; T61-I64 WeakPolarHBondContact O-CG2 3.35Å; T61-N65 PolarHBondContact O-N 2.8Å; T61-N65 PolarHBondContact O-ND2 3.3Å; T61-I129 HydrophobicContact CG2-CD1 3.97Å; T61-I129 HydrophobicContact CG2-CG1 4.04Å
62V81.2Confident66.5Low68 Ų6888.5 Ų88.541%0.41249%0.485SS..Hα-helixtrans-61.8-53.1-176.71790000110.3I64 N65 E66V62-I64 VanDerWaalsContact C-N 3.31Å; V62-I64 PolarHBondContact O-N 3.08Å; V62-N65 PolarHBondContact O-N 3.33Å; V62-E66 HydrophobicContact CG1-CG 4.2Å; V62-E66 WeakPolarHBondContact O-CG 3.17Å; V62-E66 PolarHBondContact O-N 2.7Å
63W85.4Confident68.9Low163 Ų16387.1 Ų87.162%0.61747%0.469SS*.Hα-helixtrans-58.8-40.2-174.573.6-89000112.9S60 E66 V67S60-W63 PolarHBondContact O-NE1 2.98Å; W63-E66 PolarHBondContact O-N 3.03Å; W63-V67 HydrophobicContact CE3-CG2 4.22Å; W63-V67 WeakPolarHBondContact O-CG2 3.5Å; W63-V67 PolarHBondContact O-N 3.21Å
64I86.5Confident71.2Confident37 Ų3784.9 Ų84.919%0.1945%0.45CS..Hα-helixtrans-72.3-35.9-177.3-169.8165.9000111.1T61 V62 V67 I68 L126 I129T61-I64 VanDerWaalsContact O-CG2 3.24Å; T61-I64 WeakPolarHBondContact O-CG2 3.35Å; V62-I64 VanDerWaalsContact C-N 3.31Å; V62-I64 PolarHBondContact O-N 3.08Å; I64-V67 PolarHBondContact O-N 3.01Å; I64-I68 HydrophobicContact CG1-CD1 4.41Å; I64-I68 VanDerWaalsContact O-CG1 3.29Å; I64-I68 WeakPolarHBondContact O-CG1 3.26Å; I64-I68 PolarHBondContact O-N 3.37Å; I64-L126 HydrophobicContact CD1-CD1 3.79Å; I64-L126 HydrophobicContact CG1-CD1 4.16Å; I64-I129 HydrophobicContact CD1-CD1 4.31Å; I64-I129 HydrophobicContact CG2-CD1 3.72Å
65N89.7Confident73.2Confident19 Ų1982.3 Ų82.310%0.10242%0.424CS..Hα-helixtrans-70.2-35.1174-70.9-37000111.9T61 V62 V67 I68 R69 L126T61-N65 PolarHBondContact O-N 2.8Å; T61-N65 PolarHBondContact O-ND2 3.3Å; V62-N65 PolarHBondContact O-N 3.33Å; N65-V67 VanDerWaalsContact C-N 3.34Å; N65-I68 PolarHBondContact O-N 2.79Å; N65-R69 WeakPolarHBondContact O-CB 3.3Å; N65-R69 PolarHBondContact O-N 2.74Å; N65-L126 PolarHBondContact ND2-O 3.49Å; N65-L126 PolarHBondContact OD1-N 3.42Å; N65-L126 PolarHBondContact OD1-O 3.3Å
66E89Confident74.7Confident94 Ų9482.6 Ų82.644%0.43942%0.419SS..Hα-helixtrans-61.5-41.7169.5-67.6-50.1127.400111.8V62 W63 R69 W70V62-E66 HydrophobicContact CG1-CG 4.2Å; V62-E66 WeakPolarHBondContact O-CG 3.17Å; V62-E66 PolarHBondContact O-N 2.7Å; W63-E66 PolarHBondContact O-N 3.03Å; E66-R69 PolarHBondContact O-N 2.7Å; E66-R69 IonicContact OE1-CZ 2.71Å; E66-R69 IonicContact OE1-NH1 3.73Å; E66-R69 PolarHBondContact OE1-NH1 3.33Å; E66-R69 IonicContact OE1-NH2 3.6Å; E66-R69 IonicContact OE2-CZ 3.91Å; E66-R69 IonicContact OE2-NH1 3.76Å; E66-R69 PolarHBondContact OE2-NH1 3.49Å; E66-W70 WeakPolarHBondContact O-CB 3.19Å; E66-W70 PolarHBondContact O-N 3.4Å
67V85.5Confident75.9Confident67 Ų6777.4 Ų77.441%0.40641%0.412SS..Hα-helixtrans-64.3-44175.51710000111.2W63 I64 N65 W70 I71W63-V67 HydrophobicContact CE3-CG2 4.22Å; W63-V67 WeakPolarHBondContact O-CG2 3.5Å; W63-V67 PolarHBondContact O-N 3.21Å; I64-V67 PolarHBondContact O-N 3.01Å; N65-V67 VanDerWaalsContact C-N 3.34Å; V67-W70 PolarHBondContact O-N 3.29Å; V67-I71 HydrophobicContact CG1-CD1 3.98Å; V67-I71 VanDerWaalsContact O-CG1 3.31Å; V67-I71 WeakPolarHBondContact O-CG1 3.32Å; V67-I71 PolarHBondContact O-N 3.26Å
68I85.7Confident77.1Confident32 Ų3276.1 Ų76.116%0.16440%0.403CS..Hα-helixtrans-62.6-45.1177.4-66.3163000110.6I64 N65 W70 I71 V72 P123 P124 L126I64-I68 HydrophobicContact CG1-CD1 4.41Å; I64-I68 VanDerWaalsContact O-CG1 3.29Å; I64-I68 WeakPolarHBondContact O-CG1 3.26Å; I64-I68 PolarHBondContact O-N 3.37Å; N65-I68 PolarHBondContact O-N 2.79Å; I68-W70 VanDerWaalsContact C-N 3.33Å; I68-W70 PolarHBondContact O-N 3.34Å; I68-I71 PolarHBondContact O-N 3.16Å; I68-V72 HydrophobicContact CG2-CG2 4.41Å; I68-V72 WeakPolarHBondContact O-CG2 3.31Å; I68-V72 PolarHBondContact O-N 3.1Å; I68-P123 HydrophobicContact CG2-CB 4.29Å; I68-P124 HydrophobicContact CG2-CB 4.29Å; I68-P124 HydrophobicContact CG2-CG 4.4Å; I68-P124 VanDerWaalsContact CG2-O 3.26Å; I68-P124 WeakPolarHBondContact CG2-O 3.35Å; I68-L126 HydrophobicContact CD1-CD1 3.66Å; I68-L126 HydrophobicContact CD1-CG 3.73Å
69R85.2Confident78Confident79 Ų7973.3 Ų73.330%0.29839%0.392SS..Hα-helixtrans-56.8-48.9174.4-179.1-178.2-58.595.7-1.7111N65 E66 I71 V72 E73 P123N65-R69 WeakPolarHBondContact O-CB 3.3Å; N65-R69 PolarHBondContact O-N 2.74Å; E66-R69 PolarHBondContact O-N 2.7Å; E66-R69 IonicContact OE1-CZ 2.71Å; E66-R69 IonicContact OE1-NH1 3.73Å; E66-R69 PolarHBondContact OE1-NH1 3.33Å; E66-R69 IonicContact OE1-NH2 3.6Å; E66-R69 IonicContact OE2-CZ 3.91Å; E66-R69 IonicContact OE2-NH1 3.76Å; E66-R69 PolarHBondContact OE2-NH1 3.49Å; R69-I71 VanDerWaalsContact C-N 3.31Å; R69-I71 PolarHBondContact O-N 3.33Å; R69-V72 CarbonylContact O-C 3.58Å; R69-V72 PolarHBondContact O-N 3.05Å; R69-V72 VanDerWaalsContact O-N 3.1Å; R69-E73 WeakPolarHBondContact CD-OE1 2.94Å; R69-E73 HydrophobicContact CG-CG 4.3Å; R69-E73 VanDerWaalsContact CG-OE1 3.29Å; R69-E73 WeakPolarHBondContact CG-OE1 3.24Å; R69-E73 WeakPolarHBondContact O-CG 3.27Å; R69-E73 PolarHBondContact O-N 3.05Å; R69-P123 HydrophobicContact CB-CB 4.35Å; R69-P123 HydrophobicContact CB-CG 4.08Å; R69-P123 HydrophobicContact CG-CG 4.19Å
70W84.9Confident79.2Confident142 Ų14273.3 Ų73.354%0.53839%0.388SS..Hα-helixtrans-57.8-43.8177.9-177.286.8000111.8E66 V67 I68 V72 E73 H74E66-W70 WeakPolarHBondContact O-CB 3.19Å; E66-W70 PolarHBondContact O-N 3.4Å; V67-W70 PolarHBondContact O-N 3.29Å; I68-W70 VanDerWaalsContact C-N 3.33Å; I68-W70 PolarHBondContact O-N 3.34Å; W70-V72 PolarHBondContact O-N 3.11Å; W70-E73 PolarHBondContact O-N 3.31Å; W70-H74 AromaticContact CD1-CE1 3.47Å; W70-H74 VanDerWaalsContact CD1-CE1 3.47Å; W70-H74 AromaticContact CD1-ND1 3.51Å; W70-H74 AromaticContact CE2-CG 3.98Å; W70-H74 AromaticContact CE2-ND1 3.83Å; W70-H74 AromaticContact CG-ND1 3.82Å; W70-H74 HydrophobicContact CZ2-CB 4.42Å; W70-H74 AromaticContact NE1-CE1 3.45Å; W70-H74 PolarHBondContact NE1-CE1 3.24Å; W70-H74 AromaticContact NE1-CG 3.96Å; W70-H74 AromaticContact NE1-ND1 3.51Å; W70-H74 AromaticContact NE1-NE2 3.82Å; W70-H74 WeakPolarHBondContact O-CB 3.48Å; W70-H74 PolarHBondContact O-N 3.33Å; W70-H74 PolarHBondContact O-ND1 3.11Å
71I82.4Confident79.6Confident66 Ų6676.2 Ų76.234%0.33839%0.392SS..Hα-helixtrans-60.3-46175.6-68.1166.9000110.7V67 I68 R69 E73 H74 Y75V67-I71 HydrophobicContact CG1-CD1 3.98Å; V67-I71 VanDerWaalsContact O-CG1 3.31Å; V67-I71 WeakPolarHBondContact O-CG1 3.32Å; V67-I71 PolarHBondContact O-N 3.26Å; I68-I71 PolarHBondContact O-N 3.16Å; R69-I71 VanDerWaalsContact C-N 3.31Å; R69-I71 PolarHBondContact O-N 3.33Å; I71-E73 VanDerWaalsContact C-N 3.3Å; I71-E73 PolarHBondContact O-N 3.25Å; I71-H74 CarbonylContact O-C 3.54Å; I71-H74 PolarHBondContact O-N 2.84Å; I71-Y75 WeakPolarHBondContact O-CA 3.3Å; I71-Y75 WeakPolarHBondContact O-CB 3.49Å; I71-Y75 PolarHBondContact O-N 2.84Å
72V80Confident79.7Confident11 Ų1176.1 Ų76.17%0.06739%0.392CS..Hα-helixtrans-67.5-29.2179.7171.70000112.6I68 R69 W70 Y75 F117 A121 P123I68-V72 HydrophobicContact CG2-CG2 4.41Å; I68-V72 WeakPolarHBondContact O-CG2 3.31Å; I68-V72 PolarHBondContact O-N 3.1Å; R69-V72 CarbonylContact O-C 3.58Å; R69-V72 PolarHBondContact O-N 3.05Å; R69-V72 VanDerWaalsContact O-N 3.1Å; W70-V72 PolarHBondContact O-N 3.11Å; V72-Y75 WeakPolarHBondContact O-CD1 3.19Å; V72-Y75 WeakPolarHBondContact O-CE1 3.38Å; V72-F117 HydrophobicContact CB-CE2 4.38Å; V72-F117 HydrophobicContact CG1-CB 4.43Å; V72-F117 HydrophobicContact CG1-CD1 4.17Å; V72-F117 HydrophobicContact CG1-CD2 3.69Å; V72-F117 HydrophobicContact CG1-CE1 4.37Å; V72-F117 HydrophobicContact CG1-CE2 3.92Å; V72-F117 HydrophobicContact CG1-CG 3.83Å; V72-F117 HydrophobicContact CG1-CZ 4.25Å; V72-F117 HydrophobicContact CG2-CD2 4.49Å; V72-F117 HydrophobicContact CG2-CE1 4.16Å; V72-F117 HydrophobicContact CG2-CE2 3.87Å; V72-F117 HydrophobicContact CG2-CZ 3.69Å; V72-A121 HydrophobicContact CG1-CB 3.92Å; V72-P123 HydrophobicContact CB-CB 4.12Å; V72-P123 HydrophobicContact CG1-CB 4.32Å; V72-P123 HydrophobicContact CG2-CB 4Å
73E80.9Confident79.8Confident115 Ų11578 Ų7854%0.53740%0.396SS..Hα-helixtrans-79.1-23.6175.4-72.7172.3176.400112.5R69 W70 I71R69-E73 WeakPolarHBondContact CD-OE1 2.94Å; R69-E73 HydrophobicContact CG-CG 4.3Å; R69-E73 VanDerWaalsContact CG-OE1 3.29Å; R69-E73 WeakPolarHBondContact CG-OE1 3.24Å; R69-E73 WeakPolarHBondContact O-CG 3.27Å; R69-E73 PolarHBondContact O-N 3.05Å; W70-E73 PolarHBondContact O-N 3.31Å; I71-E73 VanDerWaalsContact C-N 3.3Å; I71-E73 PolarHBondContact O-N 3.25Å
74H77.3Confident79.7Confident81 Ų8176 Ų7638%0.37539%0.394SS..Hα-helixtrans-120.12.7-171.1-59.880.4000114.8W70 I71 C76 G77W70-H74 AromaticContact CD1-CE1 3.47Å; W70-H74 VanDerWaalsContact CD1-CE1 3.47Å; W70-H74 AromaticContact CD1-ND1 3.51Å; W70-H74 AromaticContact CE2-CG 3.98Å; W70-H74 AromaticContact CE2-ND1 3.83Å; W70-H74 AromaticContact CG-ND1 3.82Å; W70-H74 HydrophobicContact CZ2-CB 4.42Å; W70-H74 AromaticContact NE1-CE1 3.45Å; W70-H74 PolarHBondContact NE1-CE1 3.24Å; W70-H74 AromaticContact NE1-CG 3.96Å; W70-H74 AromaticContact NE1-ND1 3.51Å; W70-H74 AromaticContact NE1-NE2 3.82Å; W70-H74 WeakPolarHBondContact O-CB 3.48Å; W70-H74 PolarHBondContact O-N 3.33Å; W70-H74 PolarHBondContact O-ND1 3.11Å; I71-H74 CarbonylContact O-C 3.54Å; I71-H74 PolarHBondContact O-N 2.84Å; H74-C76 PolarHBondContact O-N 3.02Å; H74-C76 VanDerWaalsContact O-N 3.13Å; H74-G77 PolarHBondContact O-N 3.09Å
75Y73.4Confident79.5Confident56 Ų5678.7 Ų78.722%0.2240%0.401CS..G310 helixtrans-61-26.1-176.676.4-84.7000113.4I71 V72 G77 T78 V82 F117I71-Y75 WeakPolarHBondContact O-CA 3.3Å; I71-Y75 WeakPolarHBondContact O-CB 3.49Å; I71-Y75 PolarHBondContact O-N 2.84Å; V72-Y75 WeakPolarHBondContact O-CD1 3.19Å; V72-Y75 WeakPolarHBondContact O-CE1 3.38Å; Y75-G77 PolarHBondContact O-N 2.91Å; Y75-T78 CarbonylContact O-C 3.57Å; Y75-T78 VanDerWaalsContact O-C 3.23Å; Y75-T78 PolarHBondContact O-N 2.84Å; Y75-V82 HydrophobicContact CD2-CG2 3.6Å; Y75-V82 HydrophobicContact CE2-CG2 4.4Å; Y75-V82 HydrophobicContact CG-CG2 4.25Å; Y75-F117 HydrophobicContact CE1-CD2 4.01Å; Y75-F117 HydrophobicContact CE1-CE2 4.49Å
76C70Confident79.3Confident102 Ų10278.1 Ų78.169%0.68940%0.398SS*.G310 helixtrans-62.7-27.3175.456.50000112.5H74H74-C76 PolarHBondContact O-N 3.02Å; H74-C76 VanDerWaalsContact O-N 3.13Å
77G68.4Low79.2Confident64 Ų6479 Ų7966%0.6640%0.401SS*.G310 helixtrans-84.6-13.7173.200000114.3H74 Y75H74-G77 PolarHBondContact O-N 3.09Å; Y75-G77 PolarHBondContact O-N 2.91Å
78T68.4Low79.3Confident72 Ų7279.3 Ų79.344%0.44241%0.406SS..  trans-129.264.7-177.651.90000111.1Y75 D80 F81Y75-T78 CarbonylContact O-C 3.57Å; Y75-T78 VanDerWaalsContact O-C 3.23Å; Y75-T78 PolarHBondContact O-N 2.84Å; T78-D80 PolarHBondContact O-N 3.14Å; T78-F81 PolarHBondContact O-N 2.82Å
79P69.4Low79.4Confident66 Ų6679.2 Ų79.243%0.42941%0.405SS..Hα-helixtrans-61.9-24.3-169.726.2-35.8000113.2F81 V82 Q83P79-F81 VanDerWaalsContact C-N 3.26Å; P79-F81 PolarHBondContact O-N 2.91Å; P79-V82 PolarHBondContact O-N 3.47Å; P79-V82 VanDerWaalsContact O-N 3.11Å; P79-Q83 VanDerWaalsContact O-CG 3.28Å; P79-Q83 WeakPolarHBondContact O-CG 3.28Å; P79-Q83 PolarHBondContact O-N 3.36Å
80D78.8Confident79.7Confident123 Ų12377.3 Ų77.366%0.65840%0.401SS*.Hα-helixtrans-53.7-40.8-176.2-68.4-25000113T78 Q83 Q84T78-D80 PolarHBondContact O-N 3.14Å; D80-Q83 PolarHBondContact O-N 2.91Å; D80-Q84 WeakPolarHBondContact O-CG 3.32Å; D80-Q84 PolarHBondContact O-N 3.44Å
81F74.7Confident80Confident127 Ų12775.2 Ų75.256%0.55740%0.397SS*.Hα-helixtrans-61.7-49.5178.7174.7-101.2000111.6T78 P79 Q83 Q84 W85T78-F81 PolarHBondContact O-N 2.82Å; P79-F81 VanDerWaalsContact C-N 3.26Å; P79-F81 PolarHBondContact O-N 2.91Å; F81-Q83 VanDerWaalsContact C-N 3.33Å; F81-Q83 PolarHBondContact O-N 3.19Å; F81-Q84 PolarHBondContact O-N 3.34Å; F81-W85 PolarHBondContact O-N 2.94Å; F81-W85 VanDerWaalsContact O-N 3.08Å
82V77.3Confident80.2Confident15 Ų1574.5 Ų74.59%0.09140%0.4CS..Hα-helixtrans-66.5-37.4178.8178.30000111.1Y75 P79 W85 L86 V115Y75-V82 HydrophobicContact CD2-CG2 3.6Å; Y75-V82 HydrophobicContact CE2-CG2 4.4Å; Y75-V82 HydrophobicContact CG-CG2 4.25Å; P79-V82 PolarHBondContact O-N 3.47Å; P79-V82 VanDerWaalsContact O-N 3.11Å; V82-W85 PolarHBondContact O-N 2.7Å; V82-L86 HydrophobicContact CG1-CD1 4.06Å; V82-L86 HydrophobicContact CG1-CG 4.38Å; V82-L86 WeakPolarHBondContact O-CB 3.41Å; V82-L86 WeakPolarHBondContact O-CG 3.35Å; V82-L86 PolarHBondContact O-N 2.89Å; V82-V115 HydrophobicContact CG1-CB 4.14Å; V82-V115 HydrophobicContact CG1-CG2 4.49Å
83Q83.2Confident80.5Confident106 Ų10674.6 Ų74.650%0.49540%0.403SS..Hα-helixtrans-65.4-40.1176.8-67.8-56.8-4500112.5P79 D80 F81 W85 L86 K87P79-Q83 VanDerWaalsContact O-CG 3.28Å; P79-Q83 WeakPolarHBondContact O-CG 3.28Å; P79-Q83 PolarHBondContact O-N 3.36Å; D80-Q83 PolarHBondContact O-N 2.91Å; F81-Q83 VanDerWaalsContact C-N 3.33Å; F81-Q83 PolarHBondContact O-N 3.19Å; Q83-W85 VanDerWaalsContact C-N 3.32Å; Q83-L86 PolarHBondContact O-N 3.13Å; Q83-K87 WeakPolarHBondContact O-CB 3.5Å; Q83-K87 PolarHBondContact O-N 3.35Å
84Q82.7Confident80.7Confident122 Ų12275.6 Ų75.657%0.5741%0.405SS*.Hα-helixtrans-64.6-38.8173.4-69.3-56.6-31.300111.7D80 F81 K87 S88D80-Q84 WeakPolarHBondContact O-CG 3.32Å; D80-Q84 PolarHBondContact O-N 3.44Å; F81-Q84 PolarHBondContact O-N 3.34Å; Q84-K87 PolarHBondContact O-N 3.34Å; Q84-S88 PolarHBondContact O-N 2.81Å
85W82.6Confident81.1Confident94 Ų9477.7 Ų77.736%0.35641%0.413SS..Hα-helixtrans-64.3-48.7175.6-172.816.3000112F81 V82 Q83 K87 S88 M89 V115 L150F81-W85 PolarHBondContact O-N 2.94Å; F81-W85 VanDerWaalsContact O-N 3.08Å; V82-W85 PolarHBondContact O-N 2.7Å; Q83-W85 VanDerWaalsContact C-N 3.32Å; W85-K87 VanDerWaalsContact C-N 3.31Å; W85-K87 PolarHBondContact O-N 3.47Å; W85-S88 WeakPolarHBondContact O-CB 3.38Å; W85-S88 PolarHBondContact O-N 2.74Å; W85-S88 VanDerWaalsContact O-N 3.15Å; W85-M89 WeakPolarHBondContact O-CG 3.27Å; W85-M89 PolarHBondContact O-N 3.15Å; W85-V115 HydrophobicContact CE3-CG1 4.19Å; W85-V115 HydrophobicContact CH2-CG1 4.2Å; W85-V115 HydrophobicContact CZ3-CG1 3.69Å; W85-L150 HydrophobicContact CH2-CD1 4.47Å; W85-L150 HydrophobicContact CH2-CD2 3.48Å; W85-L150 VanDerWaalsContact CH2-CD2 3.48Å; W85-L150 HydrophobicContact CZ2-CD2 4.12Å; W85-L150 HydrophobicContact CZ3-CD2 4.34Å
86L86.4Confident81.5Confident6 Ų680.3 Ų80.33%0.03143%0.428CS..Hα-helixtrans-55.5-45174.2-78.8168.6000111.8V82 Q83 S88 M89 N90 F112 E113 V115V82-L86 HydrophobicContact CG1-CD1 4.06Å; V82-L86 HydrophobicContact CG1-CG 4.38Å; V82-L86 WeakPolarHBondContact O-CB 3.41Å; V82-L86 WeakPolarHBondContact O-CG 3.35Å; V82-L86 PolarHBondContact O-N 2.89Å; Q83-L86 PolarHBondContact O-N 3.13Å; L86-S88 PolarHBondContact O-N 2.97Å; L86-M89 HydrophobicContact CD2-CE 3.84Å; L86-M89 HydrophobicContact CG-CE 4.46Å; L86-M89 PolarHBondContact O-N 3.36Å; L86-N90 WeakPolarHBondContact O-CB 3.47Å; L86-N90 VanDerWaalsContact O-CG 3.3Å; L86-N90 PolarHBondContact O-N 2.88Å; L86-N90 PolarHBondContact O-ND2 3.28Å; L86-N90 VanDerWaalsContact O-ND2 3.1Å; L86-F112 HydrophobicContact CD2-CB 3.77Å; L86-E113 WeakPolarHBondContact CD1-O 3.44Å; L86-V115 HydrophobicContact CD2-CG2 3.62Å; L86-V115 HydrophobicContact CG-CG2 4.03Å
87K86.8Confident81.9Confident113 Ų11376.8 Ų76.849%0.49140%0.403SS..Hα-helixtrans-58.7-47.4176-176.5-176.5173.3-169.90111.7Q83 Q84 W85 N90 E91Q83-K87 WeakPolarHBondContact O-CB 3.5Å; Q83-K87 PolarHBondContact O-N 3.35Å; Q84-K87 PolarHBondContact O-N 3.34Å; W85-K87 VanDerWaalsContact C-N 3.31Å; W85-K87 PolarHBondContact O-N 3.47Å; K87-N90 PolarHBondContact O-N 3.38Å; K87-E91 WeakPolarHBondContact CE-OE1 3.4Å; K87-E91 WeakPolarHBondContact O-CG 3.41Å; K87-E91 PolarHBondContact O-N 3.07Å
88S86.5Confident82.4Confident73 Ų7379 Ų7951%0.5140%0.396SS..Hα-helixtrans-61.8-43.9178.1-176.20000112.3Q84 W85 L86 N90 E91 A92Q84-S88 PolarHBondContact O-N 2.81Å; W85-S88 WeakPolarHBondContact O-CB 3.38Å; W85-S88 PolarHBondContact O-N 2.74Å; W85-S88 VanDerWaalsContact O-N 3.15Å; L86-S88 PolarHBondContact O-N 2.97Å; S88-N90 VanDerWaalsContact C-N 3.34Å; S88-N90 PolarHBondContact O-N 2.95Å; S88-E91 PolarHBondContact O-N 3.15Å; S88-A92 WeakPolarHBondContact O-CB 3.23Å; S88-A92 PolarHBondContact O-N 2.74Å
89M87.4Confident82.8Confident31 Ų3182.2 Ų82.215%0.15340%0.404CS..Hα-helixtrans-62.7-40.6175.5-69.5-167.6-61.600112.1W85 L86 A92 A93 F112 V115 L152W85-M89 WeakPolarHBondContact O-CG 3.27Å; W85-M89 PolarHBondContact O-N 3.15Å; L86-M89 HydrophobicContact CD2-CE 3.84Å; L86-M89 HydrophobicContact CG-CE 4.46Å; L86-M89 PolarHBondContact O-N 3.36Å; M89-A92 PolarHBondContact O-N 3.3Å; M89-A93 WeakPolarHBondContact O-CB 3.11Å; M89-A93 PolarHBondContact O-N 2.97Å; M89-F112 HydrophobicContact CB-CD2 3.76Å; M89-F112 HydrophobicContact CB-CE2 4.1Å; M89-F112 HydrophobicContact CB-CG 4.24Å; M89-F112 HydrophobicContact CE-CB 4.25Å; M89-F112 HydrophobicContact CE-CD1 4.43Å; M89-F112 HydrophobicContact CE-CG 4.28Å; M89-V115 HydrophobicContact CE-CG2 3.68Å; M89-L152 HydrophobicContact CE-CD2 4.22Å; M89-L152 HydrophobicContact SD-CD1 4.37Å
90N92.2Very high82.7Confident38 Ų3884.1 Ų84.120%0.20341%0.414CS..Hα-helixtrans-65.7-41.3176.9-79-37.1000112.8L86 K87 S88 A92 A93 K94 V111 F112L86-N90 WeakPolarHBondContact O-CB 3.47Å; L86-N90 VanDerWaalsContact O-CG 3.3Å; L86-N90 PolarHBondContact O-N 2.88Å; L86-N90 PolarHBondContact O-ND2 3.28Å; L86-N90 VanDerWaalsContact O-ND2 3.1Å; K87-N90 PolarHBondContact O-N 3.38Å; S88-N90 VanDerWaalsContact C-N 3.34Å; S88-N90 PolarHBondContact O-N 2.95Å; N90-A92 VanDerWaalsContact C-N 3.33Å; N90-A92 PolarHBondContact O-N 2.82Å; N90-A93 PolarHBondContact O-N 3.34Å; N90-K94 WeakPolarHBondContact O-CB 3.35Å; N90-K94 PolarHBondContact O-N 3.19Å; N90-V111 WeakPolarHBondContact OD1-CA 3.29Å; N90-F112 PolarHBondContact ND2-O 3.09Å; N90-F112 PolarHBondContact OD1-N 3.39Å
91E90.3Very high81.6Confident99 Ų9980.6 Ų80.646%0.46340%0.399SS..Hα-helixtrans-63.6-39.6173.3-73.2179.7-165.100111.9K87 S88 K95K87-E91 WeakPolarHBondContact CE-OE1 3.4Å; K87-E91 WeakPolarHBondContact O-CG 3.41Å; K87-E91 PolarHBondContact O-N 3.07Å; S88-E91 PolarHBondContact O-N 3.15Å; E91-K95 WeakPolarHBondContact O-CG 3.39Å; E91-K95 PolarHBondContact O-N 2.92Å
92A86.6Confident80.8Confident50 Ų5080.3 Ų80.341%0.41341%0.408SS..Hα-helixtrans-65.7-45.1174.700000111.7S88 M89 N90 K94 K95 Q96S88-A92 WeakPolarHBondContact O-CB 3.23Å; S88-A92 PolarHBondContact O-N 2.74Å; M89-A92 PolarHBondContact O-N 3.3Å; N90-A92 VanDerWaalsContact C-N 3.33Å; N90-A92 PolarHBondContact O-N 2.82Å; A92-K94 PolarHBondContact O-N 3.24Å; A92-K95 PolarHBondContact O-N 3.48Å; A92-Q96 WeakPolarHBondContact O-CG 3.14Å; A92-Q96 PolarHBondContact O-N 2.88Å
93A87.1Confident79.7Confident14 Ų1484.3 Ų84.312%0.11643%0.432CS..Hα-helixtrans-58.1-47.6177.300000111.4M89 N90 K95 Q96 V97 F112M89-A93 WeakPolarHBondContact O-CB 3.11Å; M89-A93 PolarHBondContact O-N 2.97Å; N90-A93 PolarHBondContact O-N 3.34Å; A93-K95 VanDerWaalsContact C-N 3.34Å; A93-K95 PolarHBondContact O-N 2.85Å; A93-Q96 PolarHBondContact O-N 2.8Å; A93-Q96 VanDerWaalsContact O-N 3.08Å; A93-V97 WeakPolarHBondContact O-CG2 3.4Å; A93-V97 PolarHBondContact O-N 2.82Å; A93-F112 HydrophobicContact CB-CD2 4.45Å; A93-F112 HydrophobicContact CB-CE2 3.97Å
94K86.2Confident78.2Confident135 Ų13589.1 Ų89.159%0.58746%0.455SS*.Hα-helixtrans-54.5-49.3176.5-173.2-178.3178.3-174.50111.6N90 A92 Q96 V97 E98N90-K94 WeakPolarHBondContact O-CB 3.35Å; N90-K94 PolarHBondContact O-N 3.19Å; A92-K94 PolarHBondContact O-N 3.24Å; K94-Q96 VanDerWaalsContact C-N 3.31Å; K94-Q96 PolarHBondContact O-N 2.88Å; K94-V97 PolarHBondContact O-N 3.28Å; K94-E98 WeakPolarHBondContact CE-OE1 3.41Å; K94-E98 WeakPolarHBondContact O-CG 3.45Å; K94-E98 PolarHBondContact O-N 3.26Å
95K85.7Confident76.8Confident126 Ų12686.5 Ų86.555%0.54845%0.449SS..Hα-helixtrans-61.8-35.3177.5-70.6174.8-175.3173.30112.9E91 A92 A93 K99E91-K95 WeakPolarHBondContact O-CG 3.39Å; E91-K95 PolarHBondContact O-N 2.92Å; A92-K95 PolarHBondContact O-N 3.48Å; A93-K95 VanDerWaalsContact C-N 3.34Å; A93-K95 PolarHBondContact O-N 2.85Å; K95-K99 VanDerWaalsContact O-CG 3.31Å; K95-K99 WeakPolarHBondContact O-CG 3.18Å; K95-K99 PolarHBondContact O-N 3.33Å
96Q81.7Confident75.6Confident111 Ų11184 Ų8452%0.51945%0.446SS..Hα-helixtrans-72.3-40.7177-65.8-60.5-22.700111.8A92 A93 K94 E98 K99 V100A92-Q96 WeakPolarHBondContact O-CG 3.14Å; A92-Q96 PolarHBondContact O-N 2.88Å; A93-Q96 PolarHBondContact O-N 2.8Å; A93-Q96 VanDerWaalsContact O-N 3.08Å; K94-Q96 VanDerWaalsContact C-N 3.31Å; K94-Q96 PolarHBondContact O-N 2.88Å; Q96-E98 VanDerWaalsContact C-N 3.35Å; Q96-K99 WeakPolarHBondContact O-CB 3.45Å; Q96-K99 PolarHBondContact O-N 3.47Å; Q96-V100 WeakPolarHBondContact O-CG2 3.49Å; Q96-V100 PolarHBondContact O-N 3.47Å; Q96-V100 VanDerWaalsContact O-N 3.17Å
97V77.6Confident74.9Confident28 Ų2890.7 Ų90.717%0.1748%0.477CS..Hα-helixtrans-65.1-40.2177.5175.70000111.2A93 K94 K99 V100 S101 K108 V110A93-V97 WeakPolarHBondContact O-CG2 3.4Å; A93-V97 PolarHBondContact O-N 2.82Å; K94-V97 PolarHBondContact O-N 3.28Å; V97-K99 VanDerWaalsContact C-N 3.31Å; V97-K99 PolarHBondContact O-N 3.2Å; V97-V100 PolarHBondContact O-N 3.25Å; V97-S101 VanDerWaalsContact O-CB 3.31Å; V97-S101 WeakPolarHBondContact O-CB 3.49Å; V97-S101 PolarHBondContact O-N 3.37Å; V97-S101 PolarHBondContact O-OG 3.23Å; V97-K108 HydrophobicContact CG1-CB 3.97Å; V97-K108 WeakPolarHBondContact CG1-O 3.49Å; V97-V110 HydrophobicContact CG2-CG2 4.42Å
98E78.9Confident74.4Confident110 Ų11090.4 Ų90.451%0.51448%0.476SS..Hα-helixtrans-60.7-37.6173.9-73.8169.4178.100112.3K94 Q96 S101K94-E98 WeakPolarHBondContact CE-OE1 3.41Å; K94-E98 WeakPolarHBondContact O-CG 3.45Å; K94-E98 PolarHBondContact O-N 3.26Å; Q96-E98 VanDerWaalsContact C-N 3.35Å; E98-S101 PolarHBondContact O-N 2.53Å
99K76Confident74.1Confident139 Ų13988.9 Ų88.960%0.60447%0.468SS*.Hα-helixtrans-67.8-36.7176.6-74173.2-176.1-178.30113.6K95 Q96 V97 T102K95-K99 VanDerWaalsContact O-CG 3.31Å; K95-K99 WeakPolarHBondContact O-CG 3.18Å; K95-K99 PolarHBondContact O-N 3.33Å; Q96-K99 WeakPolarHBondContact O-CB 3.45Å; Q96-K99 PolarHBondContact O-N 3.47Å; V97-K99 VanDerWaalsContact C-N 3.31Å; V97-K99 PolarHBondContact O-N 3.2Å; K99-T102 WeakPolarHBondContact O-CG2 3.36Å
100V67.9Low74Confident107 Ų10789.7 Ų89.765%0.64847%0.474SS*.Hα-helixtrans-78.2-28.6178.6177.50000110.9Q96 V97 T102Q96-V100 WeakPolarHBondContact O-CG2 3.49Å; Q96-V100 PolarHBondContact O-N 3.47Å; Q96-V100 VanDerWaalsContact O-N 3.17Å; V97-V100 PolarHBondContact O-N 3.25Å; V100-T102 PolarHBondContact O-N 3.38Å
101S56.8Low73.7Confident48 Ų4891.1 Ų91.134%0.33648%0.484SS..  trans-79.952.7179.2-520000112V97 E98V97-S101 VanDerWaalsContact O-CB 3.31Å; V97-S101 WeakPolarHBondContact O-CB 3.49Å; V97-S101 PolarHBondContact O-N 3.37Å; V97-S101 PolarHBondContact O-OG 3.23Å; E98-S101 PolarHBondContact O-N 2.53Å
102T56.1Low73.5Confident121 Ų12188.3 Ų88.374%0.74247%0.47SS*.  trans-91.92173.147.70000113.3K99 V100K99-T102 WeakPolarHBondContact O-CG2 3.36Å; V100-T102 PolarHBondContact O-N 3.38Å
103T54.2Low73.3Confident99 Ų9991.1 Ų91.161%0.60748%0.475SS*.SBendtrans-126160175.933.40000109.3C105T103-C105 PolarHBondContact O-N 3.46Å
104H53.1Low73.2Confident208 Ų20894.7 Ų94.796%0.96349%0.489SS*.SBendtrans-51.819.8178.6-117.5-81.3000116.5S106H104-S106 PolarHBondContact O-N 3.24Å
105C53.9Low73.2Confident66 Ų6688.5 Ų88.545%0.44646%0.463SS..  trans-62.2123.7167.6-83.40000110T103T103-C105 PolarHBondContact O-N 3.46Å
106S57Low73.1Confident43 Ų4384.8 Ų84.830%0.30145%0.446SS..  trans-17.2128.9150.434.20000113.8H104 K108 I159H104-S106 PolarHBondContact O-N 3.24Å; S106-K108 PolarHBondContact O-N 3.19Å; S106-K108 VanDerWaalsContact O-N 3.15Å; S106-I159 WeakPolarHBondContact CB-O 3.22Å
107E70.1Confident73Confident146 Ų14681.4 Ų81.468%0.68243%0.429SS*.  trans-51.9118.6178.2-69.2-178.3-178.400110.4K158 I159E107-K158 WeakPolarHBondContact O-CA 3.1Å; E107-I159 HydrophobicContact CB-CD1 4.23Å; E107-I159 HydrophobicContact CB-CG1 4.49Å; E107-I159 PolarHBondContact O-N 3.05Å
108K77.5Confident72.8Confident107 Ų10782.2 Ų82.247%0.46543%0.434SS..EExtended strand (participates in β ladder)trans-103149.4173.4-64.1178.6-174.5173.40108.4V97 S106 S157 K158V97-K108 HydrophobicContact CG1-CB 3.97Å; V97-K108 WeakPolarHBondContact CG1-O 3.49Å; S106-K108 PolarHBondContact O-N 3.19Å; S106-K108 VanDerWaalsContact O-N 3.15Å; K108-S157 CarbonylContact C-O 3.47Å; K108-S157 WeakPolarHBondContact CA-O 3.4Å; K108-K158 HydrophobicContact CG-CB 4.49Å
109A80.9Confident72.2Confident41 Ų4181.9 Ų81.934%0.33945%0.451SS..EExtended strand (participates in β ladder)trans-145.1150.8168.600000110A156 S157A109-A156 WeakPolarHBondContact O-CA 3.45Å; A109-S157 PolarHBondContact N-O 2.91Å; A109-S157 PolarHBondContact O-N 3.03Å
110V84.8Confident71.8Confident48 Ų4881.1 Ų81.129%0.29146%0.459SS..EExtended strand (participates in β ladder)trans-130.2129173.21770000107.2V97 L154 T155 A156V97-V110 HydrophobicContact CG2-CG2 4.42Å; V110-L154 HydrophobicContact CG1-CD1 3.93Å; V110-T155 WeakPolarHBondContact CA-O 3.4Å; V110-A156 HydrophobicContact CG2-CB 4.29Å
111V84.9Confident72Confident67 Ų6778.4 Ų78.441%0.40645%0.448SS..EExtended strand (participates in β ladder)trans-127.3118.5-179.5-177.90000109N90 L154 T155N90-V111 WeakPolarHBondContact OD1-CA 3.29Å; V111-L154 CarbonylContact O-C 3.41Å; V111-L154 WeakPolarHBondContact O-CA 3.25Å; V111-T155 PolarHBondContact N-O 3.05Å; V111-T155 PolarHBondContact O-N 3.48Å
112F87.5Confident73Confident40 Ų4076.8 Ų76.818%0.17544%0.437CS..EExtended strand (participates in β ladder)trans-75.3126166.8-63.6-84.7000109.5L86 M89 N90 A93 L152 L154L86-F112 HydrophobicContact CD2-CB 3.77Å; M89-F112 HydrophobicContact CB-CD2 3.76Å; M89-F112 HydrophobicContact CB-CE2 4.1Å; M89-F112 HydrophobicContact CB-CG 4.24Å; M89-F112 HydrophobicContact CE-CB 4.25Å; M89-F112 HydrophobicContact CE-CD1 4.43Å; M89-F112 HydrophobicContact CE-CG 4.28Å; N90-F112 PolarHBondContact ND2-O 3.09Å; N90-F112 PolarHBondContact OD1-N 3.39Å; A93-F112 HydrophobicContact CB-CD2 4.45Å; A93-F112 HydrophobicContact CB-CE2 3.97Å; F112-L152 HydrophobicContact CD1-CB 4.23Å; F112-L152 HydrophobicContact CD1-CD1 4.27Å; F112-L152 HydrophobicContact CE1-CB 4.4Å; F112-L152 HydrophobicContact CE1-CD1 3.91Å; F112-L154 HydrophobicContact CD1-CB 3.86Å; F112-L154 HydrophobicContact CD1-CD2 4.17Å; F112-L154 HydrophobicContact CE1-CB 4.2Å; F112-L154 HydrophobicContact CE1-CD2 3.73Å; F112-L154 HydrophobicContact CG-CB 4.4Å
113E82.5Confident74.5Confident110 Ų11072.1 Ų72.151%0.51441%0.409SS..EExtended strand (participates in β ladder)trans-105.2-39.6-174.7-61.3-172.9164.500112L86 R153 T155L86-E113 WeakPolarHBondContact CD1-O 3.44Å; E113-R153 PolarHBondContact N-O 3.07Å; E113-T155 WeakPolarHBondContact OE1-CB 3.34Å; E113-T155 PolarHBondContact OE1-OG1 3.12Å
114E84.6Confident76.2Confident88 Ų8868.9 Ų68.941%0.41139%0.389SS..EExtended strand (participates in β ladder)trans-146.9148.7-171.3-160.8177.3-163.900111.2Y116 L152 R153E114-Y116 HydrophobicContact CG-CD1 4.06Å; E114-L152 WeakPolarHBondContact O-CA 3.46Å; E114-R153 HydrophobicContact CB-CB 4.06Å; E114-R153 PolarHBondContact N-O 3.09Å; E114-R153 PolarHBondContact O-N 3.18Å; E114-R153 VanDerWaalsContact OE2-CD 3.31Å; E114-R153 WeakPolarHBondContact OE2-CD 3.47Å; E114-R153 IonicContact OE2-NH1 2.67Å
115V84.7Confident78Confident6 Ų662.3 Ų62.34%0.03636%0.364CS..EExtended strand (participates in β ladder)trans-131.8127.9171.2-176.80000108.1V82 W85 L86 M89 L150 I151 L152V82-V115 HydrophobicContact CG1-CB 4.14Å; V82-V115 HydrophobicContact CG1-CG2 4.49Å; W85-V115 HydrophobicContact CE3-CG1 4.19Å; W85-V115 HydrophobicContact CH2-CG1 4.2Å; W85-V115 HydrophobicContact CZ3-CG1 3.69Å; L86-V115 HydrophobicContact CD2-CG2 3.62Å; L86-V115 HydrophobicContact CG-CG2 4.03Å; M89-V115 HydrophobicContact CE-CG2 3.68Å; V115-L150 HydrophobicContact CG1-CD1 3.64Å; V115-L150 HydrophobicContact CG1-CD2 4.19Å; V115-L150 HydrophobicContact CG1-CG 4.08Å; V115-I151 WeakPolarHBondContact CA-O 3.05Å; V115-L152 HydrophobicContact CB-CD2 4.05Å; V115-L152 HydrophobicContact CG1-CD2 3.71Å; V115-L152 HydrophobicContact CG2-CD2 3.52Å
116Y83.4Confident79.8Confident48 Ų4860.7 Ų60.719%0.18835%0.35CS..EExtended strand (participates in β ladder)trans-146.1157173.856.1-87.3000111.9E114 I151 R153 E170E114-Y116 HydrophobicContact CG-CD1 4.06Å; Y116-I151 HydrophobicContact CD2-CB 4Å; Y116-I151 HydrophobicContact CD2-CD1 4.28Å; Y116-I151 HydrophobicContact CE1-CB 4.32Å; Y116-I151 HydrophobicContact CE1-CG2 3.94Å; Y116-I151 HydrophobicContact CE2-CB 3.63Å; Y116-I151 HydrophobicContact CE2-CD1 3.59Å; Y116-I151 HydrophobicContact CE2-CG1 4.13Å; Y116-I151 HydrophobicContact CE2-CG2 3.75Å; Y116-I151 HydrophobicContact CG-CB 4.5Å; Y116-I151 VanDerWaalsContact CZ-CG2 3.41Å; Y116-I151 PolarHBondContact N-O 2.79Å; Y116-I151 PolarHBondContact O-N 3.07Å; Y116-I151 WeakPolarHBondContact OH-CG2 3.17Å; Y116-R153 HydrophobicContact CE1-CG 3.89Å; Y116-E170 PolarHBondContact OH-OE1 3.08Å; Y116-E170 PolarHBondContact OH-OE2 2.94Å
117F80.8Confident81.5Confident39 Ų3960.9 Ų60.917%0.17135%0.352CS..EExtended strand (participates in β ladder)trans-90.7147173.3-62-90.5000109.4V72 Y75 A121 L150V72-F117 HydrophobicContact CB-CE2 4.38Å; V72-F117 HydrophobicContact CG1-CB 4.43Å; V72-F117 HydrophobicContact CG1-CD1 4.17Å; V72-F117 HydrophobicContact CG1-CD2 3.69Å; V72-F117 HydrophobicContact CG1-CE1 4.37Å; V72-F117 HydrophobicContact CG1-CE2 3.92Å; V72-F117 HydrophobicContact CG1-CG 3.83Å; V72-F117 HydrophobicContact CG1-CZ 4.25Å; V72-F117 HydrophobicContact CG2-CD2 4.49Å; V72-F117 HydrophobicContact CG2-CE1 4.16Å; V72-F117 HydrophobicContact CG2-CE2 3.87Å; V72-F117 HydrophobicContact CG2-CZ 3.69Å; Y75-F117 HydrophobicContact CE1-CD2 4.01Å; Y75-F117 HydrophobicContact CE1-CE2 4.49Å; F117-A121 HydrophobicContact CB-CB 4.14Å; F117-L150 HydrophobicContact CD1-CD1 3.8Å; F117-L150 HydrophobicContact CD2-CD1 4.4Å; F117-L150 HydrophobicContact CE1-CD1 3.59Å; F117-L150 HydrophobicContact CE2-CD1 4.2Å; F117-L150 HydrophobicContact CG-CD1 4.21Å; F117-L150 HydrophobicContact CZ-CD1 3.8Å
118T73.6Confident82.4Confident46 Ų4657 Ų5728%0.28234%0.336SS..PPolyproline II helixtrans-63156.9171.449.60000110.7P120 A121 S149 I151T118-P120 CarbonylContact O-C 3.6Å; T118-A121 WeakPolarHBondContact O-CA 3.36Å; T118-A121 PolarHBondContact O-N 2.87Å; T118-S149 WeakPolarHBondContact CG2-OG 3.28Å; T118-I151 HydrophobicContact CG2-CD1 3.55Å; T118-I151 HydrophobicContact CG2-CG1 4.12Å
119A65.9Low83.1Confident103 Ų10354.9 Ų54.985%0.85133%0.329SS*.SBendtrans-100.3126.2169.400000109.7
120P67.9Low83.4Confident122 Ų12258 Ų5879%0.79233%0.332SS*.SBendcis-69.9144.5-1.330.5-34.5000112.3T118 S122T118-P120 CarbonylContact O-C 3.6Å; P120-S122 PolarHBondContact O-N 3.03Å
121A71.5Confident83.6Confident50 Ų5058.9 Ų58.941%0.41334%0.344SS..PPolyproline II helixtrans-67.6125.1-179.500000110.3V72 F117 T118 P123V72-A121 HydrophobicContact CG1-CB 3.92Å; F117-A121 HydrophobicContact CB-CB 4.14Å; T118-A121 WeakPolarHBondContact O-CA 3.36Å; T118-A121 PolarHBondContact O-N 2.87Å; A121-P123 WeakPolarHBondContact O-CD 3.13Å
122S78.9Confident83.7Confident14 Ų1460 Ų6010%0.09835%0.345CS..  trans-98.688170.962.40000108.5P120 E148 S149P120-S122 PolarHBondContact O-N 3.03Å; S122-E148 WeakPolarHBondContact OG-CB 3.49Å; S122-S149 PolarHBondContact OG-N 2.83Å
123P86.5Confident83.5Confident24 Ų2464 Ų6416%0.15638%0.375CS..  trans-61.8148.5-179.527.2-35.6000110.5I68 R69 V72 A121 V125I68-P123 HydrophobicContact CG2-CB 4.29Å; R69-P123 HydrophobicContact CB-CB 4.35Å; R69-P123 HydrophobicContact CB-CG 4.08Å; R69-P123 HydrophobicContact CG-CG 4.19Å; V72-P123 HydrophobicContact CB-CB 4.12Å; V72-P123 HydrophobicContact CG1-CB 4.32Å; V72-P123 HydrophobicContact CG2-CB 4Å; A121-P123 WeakPolarHBondContact O-CD 3.13Å; P123-V125 PolarHBondContact O-N 3.48Å
124P89.5Confident83.1Confident30 Ų3059.8 Ų59.820%0.19536%0.361CS..  trans-57.5133.6172.3-22.732.4000111.6I68 V145 A146 F147I68-P124 HydrophobicContact CG2-CB 4.29Å; I68-P124 HydrophobicContact CG2-CG 4.4Å; I68-P124 VanDerWaalsContact CG2-O 3.26Å; I68-P124 WeakPolarHBondContact CG2-O 3.35Å; P124-V145 HydrophobicContact CB-CG2 4.11Å; P124-A146 CarbonylContact C-O 3.56Å; P124-A146 WeakPolarHBondContact CA-O 3.42Å; P124-F147 HydrophobicContact CB-CB 4.1Å; P124-F147 HydrophobicContact CG-CB 4.08Å
125V92Very high82.5Confident71 Ų7160.7 Ų60.743%0.4338%0.375SS..EExtended strand (participates in β ladder)trans-106.1127.1177.6-179.40000108.8P123 V145 A146P123-V125 PolarHBondContact O-N 3.48Å; V125-V145 WeakPolarHBondContact O-CA 3.11Å; V125-A146 PolarHBondContact N-O 3.05Å; V125-A146 PolarHBondContact O-N 2.88Å
126L91.8Very high81.8Confident31 Ų3171 Ų7116%0.16241%0.413CS..EExtended strand (participates in β ladder)trans-95.2133.4169.7-63.7-179.9000110.8I64 N65 I68 I129 A143 Q144 V145I64-L126 HydrophobicContact CD1-CD1 3.79Å; I64-L126 HydrophobicContact CG1-CD1 4.16Å; N65-L126 PolarHBondContact ND2-O 3.49Å; N65-L126 PolarHBondContact OD1-N 3.42Å; N65-L126 PolarHBondContact OD1-O 3.3Å; I68-L126 HydrophobicContact CD1-CD1 3.66Å; I68-L126 HydrophobicContact CD1-CG 3.73Å; L126-I129 HydrophobicContact CB-CD1 4.19Å; L126-A143 HydrophobicContact CD2-CB 4.25Å; L126-Q144 CarbonylContact C-O 3.58Å; L126-Q144 VanDerWaalsContact CA-O 3.3Å; L126-Q144 WeakPolarHBondContact CA-O 3.28Å; L126-V145 HydrophobicContact CD2-CB 3.7Å; L126-V145 HydrophobicContact CD2-CG2 3.86Å
127S91.9Very high81.3Confident47 Ų4777.3 Ų77.333%0.32944%0.444SS..EExtended strand (participates in β ladder)trans-136.3167175.2690000111I129 Q144S127-I129 VanDerWaalsContact C-N 3.27Å; S127-I129 PolarHBondContact O-N 3.32Å; S127-Q144 PolarHBondContact N-O 2.99Å; S127-Q144 PolarHBondContact O-N 3.49Å; S127-Q144 WeakPolarHBondContact OG-CB 3.36Å
128N90.4Very high81.3Confident66 Ų6678.4 Ų78.435%0.35345%0.45SS..EExtended strand (participates in β ladder)trans51.743.5175.5-161.610.6000113.7R130 Q144N128-R130 PolarHBondContact ND2-NH1 2.94Å; N128-R130 PolarHBondContact O-N 2.96Å; N128-R130 PolarHBondContact OD1-NH1 3.27Å; N128-Q144 HydrophobicContact CB-CG 4.31Å; N128-Q144 PolarHBondContact ND2-NE2 3.24Å
129I90.3Very high82Confident61 Ų6179.6 Ų79.631%0.31345%0.454SS..EExtended strand (participates in β ladder)trans-70.6120.1-178.1-55-179.8000109T61 I64 L126 S127 V141 R142 A143T61-I129 HydrophobicContact CG2-CD1 3.97Å; T61-I129 HydrophobicContact CG2-CG1 4.04Å; I64-I129 HydrophobicContact CD1-CD1 4.31Å; I64-I129 HydrophobicContact CG2-CD1 3.72Å; L126-I129 HydrophobicContact CB-CD1 4.19Å; S127-I129 VanDerWaalsContact C-N 3.27Å; S127-I129 PolarHBondContact O-N 3.32Å; I129-V141 HydrophobicContact CG2-CG1 3.89Å; I129-R142 CarbonylContact C-O 3.43Å; I129-R142 WeakPolarHBondContact CA-O 3.34Å; I129-A143 HydrophobicContact CG1-CB 3.95Å
130R87.6Confident83Confident108 Ų10875.6 Ų75.641%0.40842%0.419SS..EExtended strand (participates in β ladder)trans-129.2139.9-179.8-66.1-177.4-71.3-1347.2109.6N128 V141 R142N128-R130 PolarHBondContact ND2-NH1 2.94Å; N128-R130 PolarHBondContact O-N 2.96Å; N128-R130 PolarHBondContact OD1-NH1 3.27Å; R130-V141 CarbonylContact O-C 3.57Å; R130-V141 WeakPolarHBondContact O-CA 3.41Å; R130-R142 PolarHBondContact N-O 3.27Å; R130-R142 PolarHBondContact O-N 2.79Å
131A89.3Confident84.1Confident66 Ų6671.5 Ų71.555%0.54539%0.391SS..EExtended strand (participates in β ladder)trans-119.4127.9177.400000109.3L139 T140 V141A131-L139 HydrophobicContact CB-CD1 4.15Å; A131-T140 WeakPolarHBondContact CA-O 3.31Å; A131-V141 HydrophobicContact CB-CG2 4.38Å
132E86.8Confident85Confident91 Ų9172.2 Ų72.243%0.42538%0.384SS..EExtended strand (participates in β ladder)trans-124.2133.6-177.5-67.8173.7-178.700109.8G134 T140 R142E132-G134 PolarHBondContact O-N 2.99Å; E132-T140 PolarHBondContact N-O 3.47Å; E132-T140 PolarHBondContact O-N 3.33Å; E132-R142 IonicContact OE2-NE 3.23Å
133P84.4Confident85.6Confident122 Ų12272 Ų7279%0.79238%0.382SS*.EExtended strand (participates in β ladder)trans-68120.917428-31.9000109.6
134G73.3Confident85.9Confident22 Ų2274.7 Ų74.723%0.22739%0.393CS..PPolyproline II helixtrans-88.3171.9170.400000112.1E132 H138E132-G134 PolarHBondContact O-N 2.99Å; G134-H138 WeakPolarHBondContact CA-O 3.48Å; G134-H138 PolarHBondContact N-O 3.39Å
135P71.5Confident86.1Confident108 Ų10874.2 Ų74.270%0.70139%0.389SS*.G310 helixtrans-61.6155.2172.926.6-33.4000111.4Q137 H138P135-Q137 PolarHBondContact O-N 3.27Å; P135-H138 WeakPolarHBondContact O-CB 3.03Å; P135-H138 PolarHBondContact O-N 3.4Å
136R70.1Confident86Confident223 Ų22373.1 Ų73.184%0.84239%0.388SS*.G310 helixtrans6039.9174.7-55.1-178.3178.7-175.7-0.8115.5H138R136-H138 PolarHBondContact O-CD2 2.92Å; R136-H138 PolarHBondContact O-N 3.47Å
137Q72.7Confident85.8Confident180 Ų18073 Ų7384%0.84139%0.386SS*.G310 helixtrans61.721-178.1-52.6177.1-26.600113.5P135P135-Q137 PolarHBondContact O-N 3.27Å
138H81.8Confident85.6Confident62 Ų6277 Ų7729%0.28740%0.4SS..  trans-80.3143.8171.1-65.2-167.7000109.3G134 P135 R136 L184G134-H138 WeakPolarHBondContact CA-O 3.48Å; G134-H138 PolarHBondContact N-O 3.39Å; P135-H138 WeakPolarHBondContact O-CB 3.03Å; P135-H138 PolarHBondContact O-N 3.4Å; R136-H138 PolarHBondContact O-CD2 2.92Å; R136-H138 PolarHBondContact O-N 3.47Å; H138-L184 CarbonylContact C-O 3.47Å; H138-L184 VanDerWaalsContact CA-O 3.31Å; H138-L184 WeakPolarHBondContact CA-O 3.48Å
139L87.5Confident85.4Confident70 Ų7074.5 Ų74.537%0.36639%0.387SS..EExtended strand (participates in β ladder)trans-109.8127.7170.6-177.666.2000108.3A131 V141 L184A131-L139 HydrophobicContact CB-CD1 4.15Å; L139-V141 HydrophobicContact CD2-CG2 4.37Å; L139-V141 HydrophobicContact CG-CG2 4.34Å; L139-L184 HydrophobicContact CB-CB 4.27Å; L139-L184 HydrophobicContact CD2-CD1 4.19Å; L139-L184 PolarHBondContact N-O 3.27Å; L139-L184 PolarHBondContact O-N 3.41Å
140T88.1Confident85.2Confident19 Ų1971.8 Ų71.812%0.11737%0.373CS..EExtended strand (participates in β ladder)trans-106.6117.8173.8-55.60000108.7A131 E132 R142 Q181 V182 R183A131-T140 WeakPolarHBondContact CA-O 3.31Å; E132-T140 PolarHBondContact N-O 3.47Å; E132-T140 PolarHBondContact O-N 3.33Å; T140-R142 HydrophobicContact CG2-CG 4.43Å; T140-Q181 HydrophobicContact CG2-CB 4.41Å; T140-V182 WeakPolarHBondContact CA-O 3.34Å; T140-R183 HydrophobicContact CG2-CG 4.27Å
141V89.5Confident85.2Confident36 Ų3667.1 Ų67.122%0.21836%0.356CS..EExtended strand (participates in β ladder)trans-100.4125.2174.1-175.10000108.1I129 R130 A131 L139 Q181 V182 L184I129-V141 HydrophobicContact CG2-CG1 3.89Å; R130-V141 CarbonylContact O-C 3.57Å; R130-V141 WeakPolarHBondContact O-CA 3.41Å; A131-V141 HydrophobicContact CB-CG2 4.38Å; L139-V141 HydrophobicContact CD2-CG2 4.37Å; L139-V141 HydrophobicContact CG-CG2 4.34Å; V141-Q181 CarbonylContact O-C 3.53Å; V141-Q181 WeakPolarHBondContact O-CA 3.15Å; V141-V182 PolarHBondContact N-O 2.98Å; V141-V182 PolarHBondContact O-N 3.42Å; V141-L184 HydrophobicContact CG2-CD1 4.12Å
142R91.4Very high85.2Confident66 Ų6664.5 Ų64.525%0.24933%0.333CS..EExtended strand (participates in β ladder)trans-109.4142.7174.2-62.2-178.8178.9-117.3-6109.7I129 R130 E132 T140 E179 T180 Q181 D198I129-R142 CarbonylContact C-O 3.43Å; I129-R142 WeakPolarHBondContact CA-O 3.34Å; R130-R142 PolarHBondContact N-O 3.27Å; R130-R142 PolarHBondContact O-N 2.79Å; E132-R142 IonicContact OE2-NE 3.23Å; T140-R142 HydrophobicContact CG2-CG 4.43Å; R142-E179 IonicContact NH1-OE1 3.48Å; R142-T180 CarbonylContact C-O 3.48Å; R142-T180 VanDerWaalsContact CA-O 3.25Å; R142-T180 WeakPolarHBondContact CA-O 3.04Å; R142-Q181 HydrophobicContact CG-CB 4.46Å; R142-D198 IonicContact CZ-OD2 3.75Å; R142-D198 IonicContact NH1-OD2 3.73Å; R142-D198 PolarHBondContact NH1-OD2 3.12Å; R142-D198 IonicContact NH2-OD2 3.91Å
143A91.7Very high85Confident9 Ų962.5 Ų62.57%0.07432%0.322CS..EExtended strand (participates in β ladder)trans-150.9150.2174.800000110.4L126 I129 T180L126-A143 HydrophobicContact CD2-CB 4.25Å; I129-A143 HydrophobicContact CG1-CB 3.95Å; A143-T180 PolarHBondContact N-O 3.27Å; A143-T180 PolarHBondContact O-N 3.11Å; A143-T180 PolarHBondContact O-OG1 3.26Å
144Q93.3Very high85Confident81 Ų8157.7 Ų57.738%0.37929%0.289SS..EExtended strand (participates in β ladder)trans-87132.7166.4-69.7173-9.600108.3L126 S127 N128 A178L126-Q144 CarbonylContact C-O 3.58Å; L126-Q144 VanDerWaalsContact CA-O 3.3Å; L126-Q144 WeakPolarHBondContact CA-O 3.28Å; S127-Q144 PolarHBondContact N-O 2.99Å; S127-Q144 PolarHBondContact O-N 3.49Å; S127-Q144 WeakPolarHBondContact OG-CB 3.36Å; N128-Q144 HydrophobicContact CB-CG 4.31Å; N128-Q144 PolarHBondContact ND2-NE2 3.24Å; Q144-A178 WeakPolarHBondContact CA-O 3.48Å
145V91.8Very high85.2Confident19 Ų1957.3 Ų57.312%0.11528%0.283CS..EExtended strand (participates in β ladder)trans-116.3134.9175.764.60000109.7P124 V125 L126 L176 A177 A178 T180 F197P124-V145 HydrophobicContact CB-CG2 4.11Å; V125-V145 WeakPolarHBondContact O-CA 3.11Å; L126-V145 HydrophobicContact CD2-CB 3.7Å; L126-V145 HydrophobicContact CD2-CG2 3.86Å; V145-L176 HydrophobicContact CG1-CD2 3.83Å; V145-A177 WeakPolarHBondContact O-CA 3.49Å; V145-A178 HydrophobicContact CG1-CB 3.97Å; V145-A178 PolarHBondContact N-O 2.89Å; V145-A178 PolarHBondContact O-N 2.66Å; V145-T180 HydrophobicContact CB-CG2 4.24Å; V145-T180 HydrophobicContact CG1-CG2 3.51Å; V145-F197 HydrophobicContact CG1-CE1 3.96Å
146A91.3Very high85.5Confident49 Ų4953.4 Ų53.441%0.40526%0.259SS..EExtended strand (participates in β ladder)trans-132.4138.7171.400000111P124 V125 L176P124-A146 CarbonylContact C-O 3.56Å; P124-A146 WeakPolarHBondContact CA-O 3.42Å; V125-A146 PolarHBondContact N-O 3.05Å; V125-A146 PolarHBondContact O-N 2.88Å; A146-L176 CarbonylContact C-O 3.54Å; A146-L176 WeakPolarHBondContact CA-O 3.2Å
147F86.7Confident85.7Confident27 Ų2743.6 Ų43.612%0.11823%0.225CC..EExtended strand (participates in β ladder)trans-145.8151.4167.977.2-106.6000111.2P124 L150 L173 L176P124-F147 HydrophobicContact CB-CB 4.1Å; P124-F147 HydrophobicContact CG-CB 4.08Å; F147-L150 HydrophobicContact CD2-CB 4.27Å; F147-L150 HydrophobicContact CE2-CB 3.53Å; F147-L150 HydrophobicContact CZ-CB 3.93Å; F147-L150 HydrophobicContact CZ-CD2 4.47Å; F147-L173 HydrophobicContact CE2-CB 4.25Å; F147-L173 HydrophobicContact CZ-CB 4.12Å; F147-L176 HydrophobicContact CD1-CB 3.51Å; F147-L176 HydrophobicContact CD1-CD1 4.35Å; F147-L176 HydrophobicContact CD1-CD2 3.81Å; F147-L176 HydrophobicContact CD1-CG 4.05Å; F147-L176 HydrophobicContact CD2-CB 4.3Å; F147-L176 HydrophobicContact CE1-CB 3.27Å; F147-L176 HydrophobicContact CE1-CD1 3.53Å; F147-L176 HydrophobicContact CE1-CD2 3.84Å; F147-L176 HydrophobicContact CE1-CG 3.69Å; F147-L176 HydrophobicContact CE2-CB 4.06Å; F147-L176 HydrophobicContact CG-CB 4.03Å; F147-L176 HydrophobicContact CZ-CB 3.54Å; F147-L176 HydrophobicContact CZ-CD1 4.04Å; F147-L176 HydrophobicContact CZ-CG 4.29Å; F147-L176 PolarHBondContact N-O 3.46Å; F147-L176 PolarHBondContact O-N 3.46Å
148E87.4Confident85.5Confident132 Ų13238.7 Ų38.762%0.61720%0.201SC*.EExtended strand (participates in β ladder)trans-86.4-50.7-173.1-54.3-175.3155.600113.3S122 Q174 H175S122-E148 WeakPolarHBondContact OG-CB 3.49Å; E148-Q174 CarbonylContact O-C 3.57Å; E148-Q174 VanDerWaalsContact O-CA 3.27Å; E148-Q174 WeakPolarHBondContact O-CA 3.36Å; E148-H175 PolarHBondContact O-N 3.14Å
149S86.8Confident84.7Confident13 Ų1338.9 Ų38.99%0.09120%0.203CC..EExtended strand (participates in β ladder)trans-147.3135.4179.9-163.10000114.2T118 S122 L173T118-S149 WeakPolarHBondContact CG2-OG 3.28Å; S122-S149 PolarHBondContact OG-N 2.83Å; S149-L173 WeakPolarHBondContact CA-O 3.26Å
150L86.9Confident83.2Confident4 Ų437.3 Ų37.32%0.02120%0.195CC..EExtended strand (participates in β ladder)trans-136.4138.1170.2-176.976.2000108.5W85 V115 F117 F147 L152 L173W85-L150 HydrophobicContact CH2-CD1 4.47Å; W85-L150 HydrophobicContact CH2-CD2 3.48Å; W85-L150 VanDerWaalsContact CH2-CD2 3.48Å; W85-L150 HydrophobicContact CZ2-CD2 4.12Å; W85-L150 HydrophobicContact CZ3-CD2 4.34Å; V115-L150 HydrophobicContact CG1-CD1 3.64Å; V115-L150 HydrophobicContact CG1-CD2 4.19Å; V115-L150 HydrophobicContact CG1-CG 4.08Å; F117-L150 HydrophobicContact CD1-CD1 3.8Å; F117-L150 HydrophobicContact CD2-CD1 4.4Å; F117-L150 HydrophobicContact CE1-CD1 3.59Å; F117-L150 HydrophobicContact CE2-CD1 4.2Å; F117-L150 HydrophobicContact CG-CD1 4.21Å; F117-L150 HydrophobicContact CZ-CD1 3.8Å; F147-L150 HydrophobicContact CD2-CB 4.27Å; F147-L150 HydrophobicContact CE2-CB 3.53Å; F147-L150 HydrophobicContact CZ-CB 3.93Å; F147-L150 HydrophobicContact CZ-CD2 4.47Å; L150-L152 HydrophobicContact CD2-CD2 4.09Å; L150-L152 HydrophobicContact CG-CD2 4.42Å; L150-L173 HydrophobicContact CB-CB 4.33Å; L150-L173 HydrophobicContact CD2-CD2 4.45Å; L150-L173 PolarHBondContact N-O 3.2Å; L150-L173 PolarHBondContact O-N 3.23Å
151I86.9Confident81.8Confident10 Ų1042.9 Ų42.95%0.05123%0.229CC..EExtended strand (participates in β ladder)trans-116131.9-179.7-59.2176.7000109.7V115 Y116 T118 E170 H172V115-I151 WeakPolarHBondContact CA-O 3.05Å; Y116-I151 HydrophobicContact CD2-CB 4Å; Y116-I151 HydrophobicContact CD2-CD1 4.28Å; Y116-I151 HydrophobicContact CE1-CB 4.32Å; Y116-I151 HydrophobicContact CE1-CG2 3.94Å; Y116-I151 HydrophobicContact CE2-CB 3.63Å; Y116-I151 HydrophobicContact CE2-CD1 3.59Å; Y116-I151 HydrophobicContact CE2-CG1 4.13Å; Y116-I151 HydrophobicContact CE2-CG2 3.75Å; Y116-I151 HydrophobicContact CG-CB 4.5Å; Y116-I151 VanDerWaalsContact CZ-CG2 3.41Å; Y116-I151 PolarHBondContact N-O 2.79Å; Y116-I151 PolarHBondContact O-N 3.07Å; Y116-I151 WeakPolarHBondContact OH-CG2 3.17Å; T118-I151 HydrophobicContact CG2-CD1 3.55Å; T118-I151 HydrophobicContact CG2-CG1 4.12Å; I151-E170 HydrophobicContact CG2-CG 3.3Å; I151-E170 WeakPolarHBondContact CG2-OE1 3.42Å; I151-H172 WeakPolarHBondContact CG1-ND1 3.32Å
152L88.5Confident80.4Confident11 Ų1149 Ų496%0.05826%0.261CS..EExtended strand (participates in β ladder)trans-115.4124.3174.7-51.1177.1000109.2M89 F112 E114 V115 L150 E170 A171 L173M89-L152 HydrophobicContact CE-CD2 4.22Å; M89-L152 HydrophobicContact SD-CD1 4.37Å; F112-L152 HydrophobicContact CD1-CB 4.23Å; F112-L152 HydrophobicContact CD1-CD1 4.27Å; F112-L152 HydrophobicContact CE1-CB 4.4Å; F112-L152 HydrophobicContact CE1-CD1 3.91Å; E114-L152 WeakPolarHBondContact O-CA 3.46Å; V115-L152 HydrophobicContact CB-CD2 4.05Å; V115-L152 HydrophobicContact CG1-CD2 3.71Å; V115-L152 HydrophobicContact CG2-CD2 3.52Å; L150-L152 HydrophobicContact CD2-CD2 4.09Å; L150-L152 HydrophobicContact CG-CD2 4.42Å; L152-E170 WeakPolarHBondContact O-CA 3.45Å; L152-A171 HydrophobicContact CB-CB 4.31Å; L152-A171 PolarHBondContact N-O 3.11Å; L152-A171 PolarHBondContact O-N 3.25Å; L152-L173 HydrophobicContact CD1-CD1 3.71Å; L152-L173 HydrophobicContact CD1-CD2 4.24Å; L152-L173 HydrophobicContact CG-CD1 3.98Å
153R84Confident78.4Confident50 Ų5052.9 Ų52.919%0.18928%0.275CS..EExtended strand (participates in β ladder)trans-92.5130.7166.7-67.6-178.8117.8167.92.9109.5E113 E114 Y116 F169 E170 S232E113-R153 PolarHBondContact N-O 3.07Å; E114-R153 HydrophobicContact CB-CB 4.06Å; E114-R153 PolarHBondContact N-O 3.09Å; E114-R153 PolarHBondContact O-N 3.18Å; E114-R153 VanDerWaalsContact OE2-CD 3.31Å; E114-R153 WeakPolarHBondContact OE2-CD 3.47Å; E114-R153 IonicContact OE2-NH1 2.67Å; Y116-R153 HydrophobicContact CE1-CG 3.89Å; R153-F169 WeakPolarHBondContact CA-O 3.42Å; R153-E170 HydrophobicContact CG-CG 4.3Å; R153-E170 IonicContact NE-OE2 2.93Å; R153-S232 PolarHBondContact NH2-OG 3.44Å; R153-S232 VanDerWaalsContact NH2-OG 3.15Å
154L83.1Confident76.5Confident21 Ų2157.6 Ų57.611%0.1130%0.297CS..EExtended strand (participates in β ladder)trans-141.7149.9-177.765.6100.7000111.3V110 V111 F112 F169 A171V110-L154 HydrophobicContact CG1-CD1 3.93Å; V111-L154 CarbonylContact O-C 3.41Å; V111-L154 WeakPolarHBondContact O-CA 3.25Å; F112-L154 HydrophobicContact CD1-CB 3.86Å; F112-L154 HydrophobicContact CD1-CD2 4.17Å; F112-L154 HydrophobicContact CE1-CB 4.2Å; F112-L154 HydrophobicContact CE1-CD2 3.73Å; F112-L154 HydrophobicContact CG-CB 4.4Å; L154-F169 HydrophobicContact CD1-CB 3.8Å; L154-F169 HydrophobicContact CD1-CD2 4.03Å; L154-F169 HydrophobicContact CD1-CG 4.25Å; L154-F169 HydrophobicContact CG-CB 3.95Å; L154-F169 PolarHBondContact N-O 3.24Å; L154-F169 PolarHBondContact O-N 3.19Å; L154-A171 HydrophobicContact CD2-CB 3.84Å
155T78.6Confident74.7Confident14 Ų1456.5 Ų56.59%0.08629%0.294CS..EExtended strand (participates in β ladder)trans-116.6120.3-179.9-650000108.2V110 V111 E113 T166 Q167 N168V110-T155 WeakPolarHBondContact CA-O 3.4Å; V111-T155 PolarHBondContact N-O 3.05Å; V111-T155 PolarHBondContact O-N 3.48Å; E113-T155 WeakPolarHBondContact OE1-CB 3.34Å; E113-T155 PolarHBondContact OE1-OG1 3.12Å; T155-T166 HydrophobicContact CG2-CG2 3.08Å; T155-Q167 CarbonylContact C-O 3.58Å; T155-Q167 WeakPolarHBondContact CA-O 3.23Å; T155-N168 PolarHBondContact OG1-OD1 3.45Å
156A78.2Confident73Confident26 Ų2656.5 Ų56.522%0.21529%0.294CS..EExtended strand (participates in β ladder)trans-99.2134.8172.300000109.5A109 V110 T166 Q167 F169A109-A156 WeakPolarHBondContact O-CA 3.45Å; V110-A156 HydrophobicContact CG2-CB 4.29Å; A156-T166 CarbonylContact O-C 3.49Å; A156-T166 WeakPolarHBondContact O-CA 3.18Å; A156-Q167 PolarHBondContact N-O 3.42Å; A156-Q167 PolarHBondContact O-N 3.47Å; A156-F169 HydrophobicContact CB-CD2 4.04Å; A156-F169 HydrophobicContact CB-CE2 3.61Å
157S72.5Confident71.5Confident16 Ų1659.2 Ų59.211%0.11230%0.298CS..EExtended strand (participates in β ladder)trans-130.2144.317861.40000111.7K108 A109 M164 I165K108-S157 CarbonylContact C-O 3.47Å; K108-S157 WeakPolarHBondContact CA-O 3.4Å; A109-S157 PolarHBondContact N-O 2.91Å; A109-S157 PolarHBondContact O-N 3.03Å; S157-M164 VanDerWaalsContact OG-CE 3.28Å; S157-M164 WeakPolarHBondContact OG-CE 3.41Å; S157-I165 CarbonylContact C-O 3.58Å; S157-I165 WeakPolarHBondContact CA-O 3.42Å
158K68.7Low71Confident77 Ų7759.5 Ų59.534%0.33530%0.301SS..EExtended strand (participates in β ladder)trans-130.6138.1171.9129177.8173.8173.70108.8E107 K108 D160 I165E107-K158 WeakPolarHBondContact O-CA 3.1Å; K108-K158 HydrophobicContact CG-CB 4.49Å; K158-D160 VanDerWaalsContact CE-CB 3.46Å; K158-D160 WeakPolarHBondContact CE-OD1 3.39Å; K158-D160 HydrophobicContact CG-CB 4.47Å; K158-D160 IonicContact NZ-OD1 2.74Å; K158-D160 PolarHBondContact NZ-OD1 3.15Å; K158-I165 PolarHBondContact N-O 3.07Å; K158-I165 PolarHBondContact O-N 3.45Å
159I66.2Low70.5Confident67 Ų6754.9 Ų54.934%0.34428%0.279SS..EExtended strand (participates in β ladder)trans-88.2113.1168.5-57.8179.1000108.7S106 E107 R163S106-I159 WeakPolarHBondContact CB-O 3.22Å; E107-I159 HydrophobicContact CB-CD1 4.23Å; E107-I159 HydrophobicContact CB-CG1 4.49Å; E107-I159 PolarHBondContact O-N 3.05Å; I159-R163 CarbonylContact C-O 3.59Å; I159-R163 WeakPolarHBondContact CA-O 3.48Å
160D55.1Low70.4Confident37 Ų3755.3 Ų55.320%0.19828%0.279CS..EExtended strand (participates in β ladder)trans-104.6109178.2-166.155.2000109.1K158 D162 R163 I165K158-D160 VanDerWaalsContact CE-CB 3.46Å; K158-D160 WeakPolarHBondContact CE-OD1 3.39Å; K158-D160 HydrophobicContact CG-CB 4.47Å; K158-D160 IonicContact NZ-OD1 2.74Å; K158-D160 PolarHBondContact NZ-OD1 3.15Å; D160-D162 VanDerWaalsContact C-N 3.33Å; D160-D162 PolarHBondContact O-N 3.25Å; D160-R163 HydrophobicContact CB-CG 4.09Å; D160-R163 PolarHBondContact N-O 2.87Å; D160-R163 WeakPolarHBondContact O-CG 3.49Å; D160-R163 PolarHBondContact O-N 3.09Å; D160-R163 IonicContact OD2-CZ 2.96Å; D160-R163 IonicContact OD2-NE 3.91Å; D160-R163 PolarHBondContact OD2-NE 3.4Å; D160-R163 IonicContact OD2-NH2 3.56Å; D160-R163 PolarHBondContact OD2-NH2 2.91Å; D160-I165 HydrophobicContact CB-CD1 3.64Å; D160-I165 HydrophobicContact CB-CG1 4.17Å
161T59.4Low70.3Confident136 Ų13655.3 Ų55.383%0.83428%0.28SS*.THydrogen-bonded Turntrans57.6-79.8-177.859.10000114.4
162D60.7Low70.2Confident164 Ų16456.9 Ų56.988%0.87729%0.287SS*.THydrogen-bonded Turntrans-138.313.1179.5-139.114.1000112.6D160D160-D162 VanDerWaalsContact C-N 3.33Å; D160-D162 PolarHBondContact O-N 3.25Å
163R48.8Very low70.2Confident147 Ų14757.6 Ų57.656%0.55529%0.291SS*.EExtended strand (participates in β ladder)trans-124.9139.117861.2173.9-179.5-164.5-0.9111.6I159 D160 I165I159-R163 CarbonylContact C-O 3.59Å; I159-R163 WeakPolarHBondContact CA-O 3.48Å; D160-R163 HydrophobicContact CB-CG 4.09Å; D160-R163 PolarHBondContact N-O 2.87Å; D160-R163 WeakPolarHBondContact O-CG 3.49Å; D160-R163 PolarHBondContact O-N 3.09Å; D160-R163 IonicContact OD2-CZ 2.96Å; D160-R163 IonicContact OD2-NE 3.91Å; D160-R163 PolarHBondContact OD2-NE 3.4Å; D160-R163 IonicContact OD2-NH2 3.56Å; D160-R163 PolarHBondContact OD2-NH2 2.91Å; R163-I165 HydrophobicContact CG-CG1 4.34Å
164M52.7Low70.4Confident109 Ų10958.1 Ų58.154%0.53730%0.295SS..EExtended strand (participates in β ladder)trans-84.5124.9166.3-172.4175.4-179.300108.3S157S157-M164 VanDerWaalsContact OG-CE 3.28Å; S157-M164 WeakPolarHBondContact OG-CE 3.41Å
165I55.4Low70.7Confident58 Ų5863.4 Ų63.430%0.29732%0.319SS..EExtended strand (participates in β ladder)trans-104.4121.9172.4-57176.5000106.7S157 K158 D160 R163S157-I165 CarbonylContact C-O 3.58Å; S157-I165 WeakPolarHBondContact CA-O 3.42Å; K158-I165 PolarHBondContact N-O 3.07Å; K158-I165 PolarHBondContact O-N 3.45Å; D160-I165 HydrophobicContact CB-CD1 3.64Å; D160-I165 HydrophobicContact CB-CG1 4.17Å; R163-I165 HydrophobicContact CG-CG1 4.34Å
166T55.4Low71.2Confident19 Ų1963.3 Ų63.312%0.11732%0.318CS..EExtended strand (participates in β ladder)trans-118.4136.4-176.9-48.20000110.4T155 A156 D263T155-T166 HydrophobicContact CG2-CG2 3.08Å; A156-T166 CarbonylContact O-C 3.49Å; A156-T166 WeakPolarHBondContact O-CA 3.18Å; T166-D263 VanDerWaalsContact CB-OD2 3.26Å; T166-D263 WeakPolarHBondContact CB-OD2 3.33Å; T166-D263 PolarHBondContact OG1-OD2 2.8Å
167Q59.9Low71.8Confident105 Ų10564.1 Ų64.149%0.49133%0.325SS..EExtended strand (participates in β ladder)trans-134.8135.8178.5-71.5-177.7-28.400109.9T155 A156 F169T155-Q167 CarbonylContact C-O 3.58Å; T155-Q167 WeakPolarHBondContact CA-O 3.23Å; A156-Q167 PolarHBondContact N-O 3.42Å; A156-Q167 PolarHBondContact O-N 3.47Å; Q167-F169 HydrophobicContact CB-CD2 4.4Å; Q167-F169 HydrophobicContact CB-CE2 3.49Å; Q167-F169 VanDerWaalsContact CB-CE2 3.49Å; Q167-F169 HydrophobicContact CB-CZ 3.82Å; Q167-F169 WeakPolarHBondContact O-CD2 3.03Å; Q167-F169 WeakPolarHBondContact O-CE2 3.49Å
168N75.1Confident72.7Confident34 Ų3464 Ų6418%0.18233%0.325CS..EExtended strand (participates in β ladder)trans-98.3138.4180-57.2-35.8000109.5T155 V210T155-N168 PolarHBondContact OG1-OD1 3.45Å; N168-V210 HydrophobicContact CB-CB 3.91Å; N168-V210 HydrophobicContact CB-CG2 4.5Å; N168-V210 PolarHBondContact O-N 2.89Å
169F77.7Confident73.8Confident35 Ų3563.3 Ų63.315%0.15432%0.323CS..EExtended strand (participates in β ladder)trans-133.8153.1-177.7-61.1-90.6000111R153 L154 A156 Q167 V207 S208 N209 V210R153-F169 WeakPolarHBondContact CA-O 3.42Å; L154-F169 HydrophobicContact CD1-CB 3.8Å; L154-F169 HydrophobicContact CD1-CD2 4.03Å; L154-F169 HydrophobicContact CD1-CG 4.25Å; L154-F169 HydrophobicContact CG-CB 3.95Å; L154-F169 PolarHBondContact N-O 3.24Å; L154-F169 PolarHBondContact O-N 3.19Å; A156-F169 HydrophobicContact CB-CD2 4.04Å; A156-F169 HydrophobicContact CB-CE2 3.61Å; Q167-F169 HydrophobicContact CB-CD2 4.4Å; Q167-F169 HydrophobicContact CB-CE2 3.49Å; Q167-F169 VanDerWaalsContact CB-CE2 3.49Å; Q167-F169 HydrophobicContact CB-CZ 3.82Å; Q167-F169 WeakPolarHBondContact O-CD2 3.03Å; Q167-F169 WeakPolarHBondContact O-CE2 3.49Å; F169-V207 HydrophobicContact CB-CG1 3.84Å; F169-V207 HydrophobicContact CD1-CG1 3.74Å; F169-V207 HydrophobicContact CG-CG1 4.09Å; F169-S208 CarbonylContact C-O 3.58Å; F169-S208 WeakPolarHBondContact CA-O 3.29Å; F169-N209 WeakPolarHBondContact CD1-OD1 3.4Å; F169-N209 WeakPolarHBondContact CE1-OD1 3.47Å; F169-N209 WeakPolarHBondContact CZ-OD1 3.07Å; F169-V210 VanDerWaalsContact C-CG2 3.48Å
170E84.5Confident74.9Confident21 Ų2161.4 Ų61.410%0.09831%0.314CS..EExtended strand (participates in β ladder)trans-119.8116.6171.9-158.7164.2144.800107.4Y116 I151 L152 R153 H172 V207 S208 V210Y116-E170 PolarHBondContact OH-OE1 3.08Å; Y116-E170 PolarHBondContact OH-OE2 2.94Å; I151-E170 HydrophobicContact CG2-CG 3.3Å; I151-E170 WeakPolarHBondContact CG2-OE1 3.42Å; L152-E170 WeakPolarHBondContact O-CA 3.45Å; R153-E170 HydrophobicContact CG-CG 4.3Å; R153-E170 IonicContact NE-OE2 2.93Å; E170-H172 IonicContact OE1-CE1 3.61Å; E170-H172 IonicContact OE1-NE2 2.85Å; E170-V207 WeakPolarHBondContact O-CA 3.15Å; E170-S208 PolarHBondContact N-O 2.67Å; E170-S208 PolarHBondContact O-N 3.49Å; E170-S208 PolarHBondContact O-OG 3.04Å; E170-V210 HydrophobicContact CB-CG2 3.71Å
171A85.4Confident76.5Confident5 Ų560.7 Ų60.74%0.04131%0.31CS..EExtended strand (participates in β ladder)trans-99.3115175.900000108.9L152 L154 L173 T206 V207L152-A171 HydrophobicContact CB-CB 4.31Å; L152-A171 PolarHBondContact N-O 3.11Å; L152-A171 PolarHBondContact O-N 3.25Å; L154-A171 HydrophobicContact CD2-CB 3.84Å; A171-L173 HydrophobicContact CB-CD1 4.28Å; A171-T206 CarbonylContact C-O 3.57Å; A171-T206 VanDerWaalsContact CA-O 3.27Å; A171-T206 WeakPolarHBondContact CA-O 2.95Å; A171-V207 HydrophobicContact CB-CG2 4.1Å
172H85.1Confident77.8Confident42 Ų4256.6 Ų56.619%0.19429%0.285CS..EExtended strand (participates in β ladder)trans-93.1118.3173.7-59.2-102.9000108.7I151 E170 Q174 I205 T206I151-H172 WeakPolarHBondContact CG1-ND1 3.32Å; E170-H172 IonicContact OE1-CE1 3.61Å; E170-H172 IonicContact OE1-NE2 2.85Å; H172-Q174 HydrophobicContact CB-CG 4.43Å; H172-I205 WeakPolarHBondContact O-CA 3.2Å; H172-T206 PolarHBondContact N-O 3.47Å; H172-T206 PolarHBondContact O-N 3.35Å
173L88.4Confident78.9Confident26 Ų2654.3 Ų54.314%0.13626%0.264CS..EExtended strand (participates in β ladder)trans-96.4117.1171.2-75.764.5000106.7F147 S149 L150 L152 A171 L203 L204 I205F147-L173 HydrophobicContact CE2-CB 4.25Å; F147-L173 HydrophobicContact CZ-CB 4.12Å; S149-L173 WeakPolarHBondContact CA-O 3.26Å; L150-L173 HydrophobicContact CB-CB 4.33Å; L150-L173 HydrophobicContact CD2-CD2 4.45Å; L150-L173 PolarHBondContact N-O 3.2Å; L150-L173 PolarHBondContact O-N 3.23Å; L152-L173 HydrophobicContact CD1-CD1 3.71Å; L152-L173 HydrophobicContact CD1-CD2 4.24Å; L152-L173 HydrophobicContact CG-CD1 3.98Å; A171-L173 HydrophobicContact CB-CD1 4.28Å; L173-L203 HydrophobicContact CB-CD1 4Å; L173-L203 HydrophobicContact CD2-CD1 3.9Å; L173-L203 HydrophobicContact CG-CD1 3.7Å; L173-L204 WeakPolarHBondContact CA-O 3.45Å; L173-I205 HydrophobicContact CG-CG1 4.42Å
174Q88Confident80.8Confident61 Ų6149.4 Ų49.429%0.28525%0.248SC..EExtended strand (participates in β ladder)trans-124.1143.6-175-66.5-179.8-41.100111.3E148 H172 L176 L204E148-Q174 CarbonylContact O-C 3.57Å; E148-Q174 VanDerWaalsContact O-CA 3.27Å; E148-Q174 WeakPolarHBondContact O-CA 3.36Å; H172-Q174 HydrophobicContact CB-CG 4.43Å; Q174-L176 PolarHBondContact O-N 2.95Å; Q174-L204 HydrophobicContact CB-CB 4.24Å; Q174-L204 PolarHBondContact N-O 2.82Å; Q174-L204 PolarHBondContact O-N 2.78Å
175H89.4Confident82.2Confident132 Ų13244.8 Ų44.861%0.61123%0.228SC*.EExtended strand (participates in β ladder)trans52.851.4173.9-49.8-56.9000112.8E148 A177E148-H175 PolarHBondContact O-N 3.14Å; H175-A177 PolarHBondContact O-N 2.85Å
176L88.2Confident83.4Confident12 Ų1249 Ų496%0.06324%0.241CC..EExtended strand (participates in β ladder)trans-69.7128.4174.4-175.8137000109.2V145 A146 F147 Q174 A178 F197 P201 E202 L203V145-L176 HydrophobicContact CG1-CD2 3.83Å; A146-L176 CarbonylContact C-O 3.54Å; A146-L176 WeakPolarHBondContact CA-O 3.2Å; F147-L176 HydrophobicContact CD1-CB 3.51Å; F147-L176 HydrophobicContact CD1-CD1 4.35Å; F147-L176 HydrophobicContact CD1-CD2 3.81Å; F147-L176 HydrophobicContact CD1-CG 4.05Å; F147-L176 HydrophobicContact CD2-CB 4.3Å; F147-L176 HydrophobicContact CE1-CB 3.27Å; F147-L176 HydrophobicContact CE1-CD1 3.53Å; F147-L176 HydrophobicContact CE1-CD2 3.84Å; F147-L176 HydrophobicContact CE1-CG 3.69Å; F147-L176 HydrophobicContact CE2-CB 4.06Å; F147-L176 HydrophobicContact CG-CB 4.03Å; F147-L176 HydrophobicContact CZ-CB 3.54Å; F147-L176 HydrophobicContact CZ-CD1 4.04Å; F147-L176 HydrophobicContact CZ-CG 4.29Å; F147-L176 PolarHBondContact N-O 3.46Å; F147-L176 PolarHBondContact O-N 3.46Å; Q174-L176 PolarHBondContact O-N 2.95Å; L176-A178 HydrophobicContact CD2-CB 4.15Å; L176-F197 HydrophobicContact CD1-CZ 4.32Å; L176-F197 HydrophobicContact CD2-CE1 4.5Å; L176-P201 HydrophobicContact CD1-CB 4.25Å; L176-E202 CarbonylContact C-O 3.47Å; L176-E202 VanDerWaalsContact CA-O 3.23Å; L176-E202 WeakPolarHBondContact CA-O 3.28Å; L176-L203 HydrophobicContact CB-CB 4.1Å; L176-L203 HydrophobicContact CD1-CB 4.33Å; L176-L203 HydrophobicContact CD1-CD1 4.49Å; L176-L203 HydrophobicContact CD1-CD2 4.09Å; L176-L203 HydrophobicContact CG-CB 4.37Å
177A91.5Very high84.5Confident44 Ų4452.2 Ų52.236%0.36426%0.257SS..EExtended strand (participates in β ladder)trans-134125.4166.700000108.5V145 H175 E202V145-A177 WeakPolarHBondContact O-CA 3.49Å; H175-A177 PolarHBondContact O-N 2.85Å; A177-E202 PolarHBondContact N-O 3.47Å; A177-E202 PolarHBondContact O-N 2.92Å
178A90.7Very high85.6Confident14 Ų1453.3 Ų53.312%0.11628%0.275CS..EExtended strand (participates in β ladder)trans-153.7154.5-178.400000112.3Q144 V145 L176 F197 P201Q144-A178 WeakPolarHBondContact CA-O 3.48Å; V145-A178 HydrophobicContact CG1-CB 3.97Å; V145-A178 PolarHBondContact N-O 2.89Å; V145-A178 PolarHBondContact O-N 2.66Å; L176-A178 HydrophobicContact CD2-CB 4.15Å; A178-F197 HydrophobicContact CB-CD1 3.42Å; A178-F197 VanDerWaalsContact CB-CD1 3.42Å; A178-F197 HydrophobicContact CB-CE1 3.6Å; A178-F197 HydrophobicContact CB-CG 4.4Å; A178-P201 HydrophobicContact CB-CB 3.62Å
179E91.7Very high86Confident61 Ų6156 Ų5629%0.28530%0.296SS..EExtended strand (participates in β ladder)trans-88.3137.1162-167.7164.3178.200109.1R142 F197 D198R142-E179 IonicContact NH1-OE1 3.48Å; E179-F197 CarbonylContact O-C 3.51Å; E179-F197 WeakPolarHBondContact O-CA 3.15Å; E179-D198 HydrophobicContact CB-CB 4.29Å; E179-D198 HydrophobicContact CG-CB 4.21Å; E179-D198 PolarHBondContact O-N 2.89Å
180T89.9Confident86.1Confident27 Ų2759 Ų5917%0.16631%0.314CS..EExtended strand (participates in β ladder)trans-121143.7179.557.10000109.5R142 A143 V145 C196 F197R142-T180 CarbonylContact C-O 3.48Å; R142-T180 VanDerWaalsContact CA-O 3.25Å; R142-T180 WeakPolarHBondContact CA-O 3.04Å; A143-T180 PolarHBondContact N-O 3.27Å; A143-T180 PolarHBondContact O-N 3.11Å; A143-T180 PolarHBondContact O-OG1 3.26Å; V145-T180 HydrophobicContact CB-CG2 4.24Å; V145-T180 HydrophobicContact CG1-CG2 3.51Å; T180-C196 WeakPolarHBondContact CA-O 3.39Å; T180-F197 HydrophobicContact CG2-CD1 3.57Å; T180-F197 HydrophobicContact CG2-CE1 3.69Å
181Q88Confident86Confident22 Ų2264 Ų6410%0.10334%0.34CS..EExtended strand (participates in β ladder)trans-124.5133.6170.465.5178.9-35.900109.7T140 V141 R142 G195 C196 D198T140-Q181 HydrophobicContact CG2-CB 4.41Å; V141-Q181 CarbonylContact O-C 3.53Å; V141-Q181 WeakPolarHBondContact O-CA 3.15Å; R142-Q181 HydrophobicContact CG-CB 4.46Å; Q181-G195 CarbonylContact O-C 3.59Å; Q181-G195 WeakPolarHBondContact O-CA 3.33Å; Q181-C196 WeakPolarHBondContact CG-SG 3.38Å; Q181-C196 PolarHBondContact N-O 2.76Å; Q181-C196 PolarHBondContact NE2-SG 3.1Å; Q181-C196 PolarHBondContact O-N 3.18Å; Q181-D198 HydrophobicContact CG-CB 4.46Å
182V87.4Confident85.7Confident51 Ų5168.9 Ų68.931%0.30936%0.361SS..EExtended strand (participates in β ladder)trans-118.9117.6172.6-178.10000108.1T140 V141 L184 A193 M194T140-V182 WeakPolarHBondContact CA-O 3.34Å; V141-V182 PolarHBondContact N-O 2.98Å; V141-V182 PolarHBondContact O-N 3.42Å; V182-L184 HydrophobicContact CG1-CD2 3.98Å; V182-L184 HydrophobicContact CG1-CG 4.39Å; V182-A193 HydrophobicContact CG1-CB 4.41Å; V182-M194 CarbonylContact C-O 3.55Å; V182-M194 WeakPolarHBondContact CA-O 3.31Å
183R84.2Confident85.5Confident115 Ų11570.3 Ų70.343%0.43438%0.38SS..EExtended strand (participates in β ladder)trans-94.7121.6174.9-65.4-176.7-175.9179.12109.4T140 A193 M194T140-R183 HydrophobicContact CG2-CG 4.27Å; R183-A193 WeakPolarHBondContact O-CA 3.32Å; R183-M194 PolarHBondContact N-O 2.78Å; R183-M194 PolarHBondContact O-N 2.83Å
184L88.2Confident85.1Confident45 Ų4574.5 Ų74.524%0.23640%0.4CS..EExtended strand (participates in β ladder)trans-105.6126.6176.7-57.5173.2000108.6H138 L139 V141 V182 L191 F192 A193H138-L184 CarbonylContact C-O 3.47Å; H138-L184 VanDerWaalsContact CA-O 3.31Å; H138-L184 WeakPolarHBondContact CA-O 3.48Å; L139-L184 HydrophobicContact CB-CB 4.27Å; L139-L184 HydrophobicContact CD2-CD1 4.19Å; L139-L184 PolarHBondContact N-O 3.27Å; L139-L184 PolarHBondContact O-N 3.41Å; V141-L184 HydrophobicContact CG2-CD1 4.12Å; V182-L184 HydrophobicContact CG1-CD2 3.98Å; V182-L184 HydrophobicContact CG1-CG 4.39Å; L184-L191 HydrophobicContact CB-CD1 4.46Å; L184-F192 CarbonylContact C-O 3.4Å; L184-F192 VanDerWaalsContact CA-O 3.31Å; L184-F192 WeakPolarHBondContact CA-O 3.22Å; L184-A193 HydrophobicContact CD2-CB 3.58Å
185A82.1Confident84.8Confident12 Ų1274.1 Ų74.110%0.09941%0.413CS..EExtended strand (participates in β ladder)trans-132.3133.9176.500000109.6L187 F192A185-L187 HydrophobicContact CB-CD1 4.35Å; A185-L187 HydrophobicContact CB-CG 4.35Å; A185-F192 PolarHBondContact N-O 3.26Å; A185-F192 PolarHBondContact O-N 2.84Å
186Y79.8Confident84.4Confident145 Ų14570.7 Ų70.757%0.56940%0.403SS*.EExtended strand (participates in β ladder)trans-101.6111.3173.3-178.8-105.4000108.8S189 D190Y186-S189 WeakPolarHBondContact OH-CA 3.36Å; Y186-D190 WeakPolarHBondContact CA-O 3.41Å
187L79.6Confident84.3Confident88 Ų8874.5 Ų74.546%0.46142%0.42SS..EExtended strand (participates in β ladder)trans-132.1124.1-174.6-63.2169.4000108.7A185 S189 D190 F192A185-L187 HydrophobicContact CB-CD1 4.35Å; A185-L187 HydrophobicContact CB-CG 4.35Å; L187-S189 PolarHBondContact O-N 2.69Å; L187-D190 PolarHBondContact N-O 2.84Å; L187-D190 PolarHBondContact O-N 2.8Å; L187-F192 HydrophobicContact CB-CD2 4.02Å; L187-F192 HydrophobicContact CB-CE2 3.88Å; L187-F192 HydrophobicContact CD1-CD2 4.08Å; L187-F192 HydrophobicContact CD1-CE2 4.38Å; L187-F192 HydrophobicContact CG-CD2 4.37Å
188C83.1Confident83.9Confident128 Ų12875.3 Ų75.387%0.86542%0.417SS*.THydrogen-bonded Turntrans51.241175.4-60.40000114.2D190C188-D190 PolarHBondContact O-N 3.25Å
189S83.7Confident83.7Confident90 Ų9077.3 Ų77.363%0.62944%0.44SS*.THydrogen-bonded Turntrans734.8-176.8-58.90000116.7Y186 L187Y186-S189 WeakPolarHBondContact OH-CA 3.36Å; L187-S189 PolarHBondContact O-N 2.69Å
190D80.1Confident83.4Confident98 Ų9885.7 Ų85.752%0.52447%0.469SS..EExtended strand (participates in β ladder)trans-106.5139.8173.7-68.1-31.7000111.3Y186 L187 C188 F192Y186-D190 WeakPolarHBondContact CA-O 3.41Å; L187-D190 PolarHBondContact N-O 2.84Å; L187-D190 PolarHBondContact O-N 2.8Å; C188-D190 PolarHBondContact O-N 3.25Å; D190-F192 HydrophobicContact CB-CD2 4.26Å; D190-F192 HydrophobicContact CB-CE2 3.54Å; D190-F192 HydrophobicContact CB-CZ 3.94Å
191L81.5Confident83.3Confident125 Ų12585.8 Ų85.865%0.65447%0.47SS*.EExtended strand (participates in β ladder)trans-93.7115.7172.1-179.667000109.6L184L184-L191 HydrophobicContact CB-CD1 4.46Å
192F79.9Confident83.3Confident108 Ų10891.9 Ų91.947%0.47450%0.498SS..EExtended strand (participates in β ladder)trans-100128.6175-66.1-89.5000110L184 A185 L187 D190L184-F192 CarbonylContact C-O 3.4Å; L184-F192 VanDerWaalsContact CA-O 3.31Å; L184-F192 WeakPolarHBondContact CA-O 3.22Å; A185-F192 PolarHBondContact N-O 3.26Å; A185-F192 PolarHBondContact O-N 2.84Å; L187-F192 HydrophobicContact CB-CD2 4.02Å; L187-F192 HydrophobicContact CB-CE2 3.88Å; L187-F192 HydrophobicContact CD1-CD2 4.08Å; L187-F192 HydrophobicContact CD1-CE2 4.38Å; L187-F192 HydrophobicContact CG-CD2 4.37Å; D190-F192 HydrophobicContact CB-CD2 4.26Å; D190-F192 HydrophobicContact CB-CE2 3.54Å; D190-F192 HydrophobicContact CB-CZ 3.94Å
193A81Confident83.3Confident73 Ų7392 Ų9260%0.60350%0.497SS*.EExtended strand (participates in β ladder)trans-118.9124.7173.400000110V182 R183 L184V182-A193 HydrophobicContact CG1-CB 4.41Å; R183-A193 WeakPolarHBondContact O-CA 3.32Å; L184-A193 HydrophobicContact CD2-CB 3.58Å
194M80.2Confident83.5Confident113 Ų11390.7 Ų90.756%0.55750%0.498SS*.EExtended strand (participates in β ladder)trans-124.1110.5175.2-176.5179.665.800109.4V182 R183V182-M194 CarbonylContact C-O 3.55Å; V182-M194 WeakPolarHBondContact CA-O 3.31Å; R183-M194 PolarHBondContact N-O 2.78Å; R183-M194 PolarHBondContact O-N 2.83Å
195G80.4Confident83.5Confident54 Ų5493.4 Ų93.456%0.55751%0.512SS*.EExtended strand (participates in β ladder)trans-98.5139.3176.600000112.4Q181Q181-G195 CarbonylContact O-C 3.59Å; Q181-G195 WeakPolarHBondContact O-CA 3.33Å
196C82.3Confident83.6Confident59 Ų5995.7 Ų95.740%0.39953%0.525SS..EExtended strand (participates in β ladder)trans-149165167.2600000111.3T180 Q181T180-C196 WeakPolarHBondContact CA-O 3.39Å; Q181-C196 WeakPolarHBondContact CG-SG 3.38Å; Q181-C196 PolarHBondContact N-O 2.76Å; Q181-C196 PolarHBondContact NE2-SG 3.1Å; Q181-C196 PolarHBondContact O-N 3.18Å
197F85Confident83.7Confident93 Ų9392.9 Ų92.941%0.40852%0.523SS..EExtended strand (participates in β ladder)trans-71.2136165.5-65.3-65.9000109.6V145 L176 A178 E179 T180 G199 P201V145-F197 HydrophobicContact CG1-CE1 3.96Å; L176-F197 HydrophobicContact CD1-CZ 4.32Å; L176-F197 HydrophobicContact CD2-CE1 4.5Å; A178-F197 HydrophobicContact CB-CD1 3.42Å; A178-F197 VanDerWaalsContact CB-CD1 3.42Å; A178-F197 HydrophobicContact CB-CE1 3.6Å; A178-F197 HydrophobicContact CB-CG 4.4Å; E179-F197 CarbonylContact O-C 3.51Å; E179-F197 WeakPolarHBondContact O-CA 3.15Å; T180-F197 HydrophobicContact CG2-CD1 3.57Å; T180-F197 HydrophobicContact CG2-CE1 3.69Å; F197-G199 PolarHBondContact O-N 2.84Å; F197-P201 HydrophobicContact CD1-CB 4.4Å; F197-P201 HydrophobicContact CD2-CG 4.13Å; F197-P201 HydrophobicContact CE2-CG 4.36Å; F197-P201 HydrophobicContact CG-CB 4.41Å; F197-P201 HydrophobicContact CG-CG 4.38Å
198D83.9Confident83.6Confident60 Ų6091 Ų9132%0.32152%0.517SS..SBendtrans-87.595.6168.9-165.210.8000108.4R142 E179 Q181R142-D198 IonicContact CZ-OD2 3.75Å; R142-D198 IonicContact NH1-OD2 3.73Å; R142-D198 PolarHBondContact NH1-OD2 3.12Å; R142-D198 IonicContact NH2-OD2 3.91Å; E179-D198 HydrophobicContact CB-CB 4.29Å; E179-D198 HydrophobicContact CG-CB 4.21Å; E179-D198 PolarHBondContact O-N 2.89Å; Q181-D198 HydrophobicContact CG-CB 4.46Å
199G85.2Confident83Confident57 Ų5788.4 Ų88.459%0.58849%0.494SS*.SBendtrans91.5-169.4-170.700000113.6F197F197-G199 PolarHBondContact O-N 2.84Å
200R85.4Confident82Confident236 Ų23684.7 Ų84.789%0.89147%0.468SS*.PPolyproline II helixtrans-86.1125.1179.6-178.2175.2-179.2151.1-0.1108.9
201P88.9Confident81.5Confident30 Ų3082.5 Ų82.520%0.19545%0.454CS..PPolyproline II helixtrans-65.4143.1174.228.7-35.2000110.5L176 A178 F197 L203L176-P201 HydrophobicContact CD1-CB 4.25Å; A178-P201 HydrophobicContact CB-CB 3.62Å; F197-P201 HydrophobicContact CD1-CB 4.4Å; F197-P201 HydrophobicContact CD2-CG 4.13Å; F197-P201 HydrophobicContact CE2-CG 4.36Å; F197-P201 HydrophobicContact CG-CB 4.41Å; F197-P201 HydrophobicContact CG-CG 4.38Å; P201-L203 HydrophobicContact CB-CD2 3.96Å; P201-L203 HydrophobicContact CG-CD2 3.8Å
202E86.7Confident81.1Confident149 Ų14979.8 Ų79.870%0.69644%0.437SS*.EExtended strand (participates in β ladder)trans-84.8119.2167.6-64.1-175.8174.800107.6L176 A177L176-E202 CarbonylContact C-O 3.47Å; L176-E202 VanDerWaalsContact CA-O 3.23Å; L176-E202 WeakPolarHBondContact CA-O 3.28Å; A177-E202 PolarHBondContact N-O 3.47Å; A177-E202 PolarHBondContact O-N 2.92Å
203L89.1Confident80.9Confident54 Ų5474.7 Ų74.728%0.28342%0.415SS..EExtended strand (participates in β ladder)trans-157153.9170.368.6146000110.4L173 L176 P201 I205L173-L203 HydrophobicContact CB-CD1 4Å; L173-L203 HydrophobicContact CD2-CD1 3.9Å; L173-L203 HydrophobicContact CG-CD1 3.7Å; L176-L203 HydrophobicContact CB-CB 4.1Å; L176-L203 HydrophobicContact CD1-CB 4.33Å; L176-L203 HydrophobicContact CD1-CD1 4.49Å; L176-L203 HydrophobicContact CD1-CD2 4.09Å; L176-L203 HydrophobicContact CG-CB 4.37Å; P201-L203 HydrophobicContact CB-CD2 3.96Å; P201-L203 HydrophobicContact CG-CD2 3.8Å; L203-I205 HydrophobicContact CD1-CD1 3.86Å; L203-I205 HydrophobicContact CD1-CG1 3.44Å; L203-I205 VanDerWaalsContact CD1-CG1 3.44Å; L203-I205 HydrophobicContact CG-CD1 4.37Å; L203-I205 HydrophobicContact CG-CG1 4Å
204L87.9Confident81Confident88 Ų8873 Ų7346%0.46139%0.393SS..EExtended strand (participates in β ladder)trans-91.3128.6167.5178.964.4000109L173 Q174 T206L173-L204 WeakPolarHBondContact CA-O 3.45Å; Q174-L204 HydrophobicContact CB-CB 4.24Å; Q174-L204 PolarHBondContact N-O 2.82Å; Q174-L204 PolarHBondContact O-N 2.78Å; L204-T206 HydrophobicContact CD1-CG2 4.38Å; L204-T206 HydrophobicContact CD2-CG2 4.32Å; L204-T206 HydrophobicContact CG-CG2 4.15Å
205I87.5Confident81.2Confident102 Ų10267.6 Ų67.652%0.52337%0.367SS..EExtended strand (participates in β ladder)trans-115.7117.4172.3-55.2175.3000107.6H172 L173 L203 V207H172-I205 WeakPolarHBondContact O-CA 3.2Å; L173-I205 HydrophobicContact CG-CG1 4.42Å; L203-I205 HydrophobicContact CD1-CD1 3.86Å; L203-I205 HydrophobicContact CD1-CG1 3.44Å; L203-I205 VanDerWaalsContact CD1-CG1 3.44Å; L203-I205 HydrophobicContact CG-CD1 4.37Å; L203-I205 HydrophobicContact CG-CG1 4Å; I205-V207 HydrophobicContact CG2-CG2 4.19Å
206T84.1Confident81.5Confident59 Ų5966.1 Ų66.136%0.36235%0.347SS..EExtended strand (participates in β ladder)trans-112.8138.6168.361.50000109A171 H172 L204A171-T206 CarbonylContact C-O 3.57Å; A171-T206 VanDerWaalsContact CA-O 3.27Å; A171-T206 WeakPolarHBondContact CA-O 2.95Å; H172-T206 PolarHBondContact N-O 3.47Å; H172-T206 PolarHBondContact O-N 3.35Å; L204-T206 HydrophobicContact CD1-CG2 4.38Å; L204-T206 HydrophobicContact CD2-CG2 4.32Å; L204-T206 HydrophobicContact CG-CG2 4.15Å
207V83Confident81.7Confident87 Ų8763.3 Ų63.353%0.52733%0.328SS..EExtended strand (participates in β ladder)trans-122.2121.5179.4-175.70000108.2F169 E170 A171 I205F169-V207 HydrophobicContact CB-CG1 3.84Å; F169-V207 HydrophobicContact CD1-CG1 3.74Å; F169-V207 HydrophobicContact CG-CG1 4.09Å; E170-V207 WeakPolarHBondContact O-CA 3.15Å; A171-V207 HydrophobicContact CB-CG2 4.1Å; I205-V207 HydrophobicContact CG2-CG2 4.19Å
208S76.7Confident81.9Confident49 Ų4962.4 Ų62.434%0.34333%0.325SS..EExtended strand (participates in β ladder)trans-115.5152.6177630000110.2F169 E170F169-S208 CarbonylContact C-O 3.58Å; F169-S208 WeakPolarHBondContact CA-O 3.29Å; E170-S208 PolarHBondContact N-O 2.67Å; E170-S208 PolarHBondContact O-N 3.49Å; E170-S208 PolarHBondContact O-OG 3.04Å
209N70.1Confident81.8Confident72 Ų7259.6 Ų59.639%0.38531%0.31SS..EExtended strand (participates in β ladder)trans-72.9135.7169.3-78.4-52.7000109.2F169 H211F169-N209 WeakPolarHBondContact CD1-OD1 3.4Å; F169-N209 WeakPolarHBondContact CE1-OD1 3.47Å; F169-N209 WeakPolarHBondContact CZ-OD1 3.07Å; N209-H211 PolarHBondContact O-N 3Å
210V64.1Low82Confident13 Ų1359.2 Ų59.28%0.07929%0.294CS..  trans-83.992.3169.6-178.50000107.7N168 F169 E170 K212N168-V210 HydrophobicContact CB-CB 3.91Å; N168-V210 HydrophobicContact CB-CG2 4.5Å; N168-V210 PolarHBondContact O-N 2.89Å; F169-V210 VanDerWaalsContact C-CG2 3.48Å; E170-V210 HydrophobicContact CB-CG2 3.71Å; V210-K212 HydrophobicContact CG1-CG 4.41Å
211H68.8Low81.8Confident51 Ų5150.6 Ų50.624%0.23627%0.268CS..  trans-71.2141.3162.5-62.9-71.5000108.6N209 P213 G233 D259N209-H211 PolarHBondContact O-N 3Å; H211-P213 VanDerWaalsContact O-CD 3.28Å; H211-P213 WeakPolarHBondContact O-CD 3.48Å; H211-G233 PolarHBondContact O-N 2.76Å; H211-D259 IonicContact CE1-OD2 3.8Å; H211-D259 IonicContact CG-OD2 3.61Å; H211-D259 IonicContact ND1-OD2 2.76Å; H211-D259 PolarHBondContact ND1-OD2 2.81Å
212K73.2Confident81.4Confident69 Ų6951.2 Ų51.230%0.327%0.272SS..  trans-115.264.1170.1-67.5-170.7-179.5-173.20110.1V210 S231 D259 H260V210-K212 HydrophobicContact CG1-CG 4.41Å; K212-S231 CarbonylContact C-O 3.5Å; K212-S231 VanDerWaalsContact CA-O 3.26Å; K212-S231 WeakPolarHBondContact CA-O 3.18Å; K212-D259 PolarHBondContact N-OD1 2.88Å; K212-H260 HydrophobicContact CB-CB 4.31Å; K212-H260 PolarHBondContact O-N 2.89Å; K212-H260 VanDerWaalsContact O-N 3.14Å
213P76.4Confident81.4Confident1 Ų148.1 Ų48.11%0.00627%0.267CS..EExtended strand (participates in β ladder)trans-68.9146.9-175.230.2-36.2000111.1H211 S231 P236 W238 V257 Y258 L270H211-P213 VanDerWaalsContact O-CD 3.28Å; H211-P213 WeakPolarHBondContact O-CD 3.48Å; P213-S231 VanDerWaalsContact CD-O 3.29Å; P213-S231 WeakPolarHBondContact CD-O 3.45Å; P213-S231 PolarHBondContact O-N 2.8Å; P213-P236 HydrophobicContact CB-CG 4.39Å; P213-P236 HydrophobicContact CG-CB 3.55Å; P213-P236 HydrophobicContact CG-CG 3.46Å; P213-P236 VanDerWaalsContact CG-CG 3.46Å; P213-W238 HydrophobicContact CB-CH2 4.4Å; P213-W238 HydrophobicContact CB-CZ2 3.86Å; P213-W238 HydrophobicContact CG-CZ2 4.09Å; P213-W238 WeakPolarHBondContact O-CZ2 3.35Å; P213-W238 PolarHBondContact O-NE1 3.24Å; P213-W238 VanDerWaalsContact O-NE1 3.11Å; P213-V257 HydrophobicContact CB-CG1 4.35Å; P213-Y258 CarbonylContact C-O 3.6Å; P213-Y258 WeakPolarHBondContact CA-O 3.24Å; P213-L270 HydrophobicContact CB-CD1 3.88Å
214Y82Confident81.2Confident37 Ų3747.3 Ų47.315%0.14526%0.262CS..EExtended strand (participates in β ladder)trans-137.5154166.966.6-87000108.8V216 V227 T228 Q230 Y258 H260 P267Y214-V216 HydrophobicContact CD2-CG2 4.2Å; Y214-V216 HydrophobicContact CE2-CG2 3.81Å; Y214-V227 HydrophobicContact CD2-CG1 3.58Å; Y214-V227 HydrophobicContact CE2-CG1 4.08Å; Y214-V227 HydrophobicContact CG-CG1 4.49Å; Y214-T228 WeakPolarHBondContact CA-OG1 3.34Å; Y214-Q230 HydrophobicContact CD1-CG 4.42Å; Y214-Y258 HydrophobicContact CE2-CD2 4.07Å; Y214-Y258 HydrophobicContact CE2-CG 4.34Å; Y214-Y258 PolarHBondContact N-O 3.43Å; Y214-Y258 PolarHBondContact O-N 3Å; Y214-H260 HydrophobicContact CD1-CB 4.23Å; Y214-H260 HydrophobicContact CE1-CB 4.09Å; Y214-P267 HydrophobicContact CE1-CB 4.37Å; Y214-P267 WeakPolarHBondContact OH-CB 3.19Å; Y214-P267 WeakPolarHBondContact OH-CG 3.44Å
215A83.5Confident81.1Confident0 Ų048 Ų480%027%0.266CS..EExtended strand (participates in β ladder)trans-110.3139176.300000110.5V227 T228 W238 E256 V257A215-V227 CarbonylContact O-C 3.55Å; A215-V227 WeakPolarHBondContact O-CA 3.43Å; A215-T228 HydrophobicContact CB-CG2 3.89Å; A215-T228 PolarHBondContact N-OG1 2.87Å; A215-T228 PolarHBondContact O-N 3.36Å; A215-W238 HydrophobicContact CB-CH2 4.44Å; A215-E256 CarbonylContact C-O 3.53Å; A215-E256 VanDerWaalsContact CA-O 3.24Å; A215-E256 WeakPolarHBondContact CA-O 3.16Å; A215-V257 HydrophobicContact CB-CG2 4.32Å
216V88.3Confident80.9Confident23 Ų2346 Ų4614%0.13925%0.254CS..EExtended strand (participates in β ladder)trans-102.1131.2167.3-176.30000107.2Y214 H226 V227 F255 E256 Y258Y214-V216 HydrophobicContact CD2-CG2 4.2Å; Y214-V216 HydrophobicContact CE2-CG2 3.81Å; V216-H226 CarbonylContact C-O 3.55Å; V216-H226 WeakPolarHBondContact CA-O 3.32Å; V216-V227 HydrophobicContact CG1-CG2 4.4Å; V216-V227 HydrophobicContact CG2-CG1 4.31Å; V216-V227 HydrophobicContact CG2-CG2 4.18Å; V216-F255 CarbonylContact O-C 3.41Å; V216-F255 WeakPolarHBondContact O-CA 3.08Å; V216-E256 HydrophobicContact CB-CB 4.49Å; V216-E256 PolarHBondContact N-O 3.33Å; V216-E256 PolarHBondContact O-N 3.39Å; V216-Y258 HydrophobicContact CG2-CD2 4.02Å; V216-Y258 HydrophobicContact CG2-CE2 4.06Å
217V85.6Confident80.9Confident0 Ų047 Ų470%026%0.259CS..EExtended strand (participates in β ladder)trans-119.6116.3-178.1-167.10000107.9N225 H226 F242 F244 L253 L254 F255 F362V217-N225 CarbonylContact O-C 3.58Å; V217-N225 VanDerWaalsContact O-CA 3.22Å; V217-N225 WeakPolarHBondContact O-CA 3.38Å; V217-H226 PolarHBondContact N-O 3.13Å; V217-H226 PolarHBondContact O-N 2.89Å; V217-F242 HydrophobicContact CG2-CD2 4.05Å; V217-F242 HydrophobicContact CG2-CE2 4.06Å; V217-F244 HydrophobicContact CB-CE2 4.43Å; V217-F244 HydrophobicContact CB-CZ 3.9Å; V217-F244 HydrophobicContact CG1-CE2 3.73Å; V217-F244 HydrophobicContact CG1-CZ 3.46Å; V217-F244 VanDerWaalsContact CG1-CZ 3.46Å; V217-L253 HydrophobicContact CG1-CD1 4.02Å; V217-L253 HydrophobicContact CG1-CD2 4.41Å; V217-L253 HydrophobicContact CG1-CG 4.22Å; V217-L254 CarbonylContact C-O 3.59Å; V217-L254 WeakPolarHBondContact CA-O 3.37Å; V217-F255 HydrophobicContact CB-CD1 4.34Å; V217-F255 HydrophobicContact CG1-CD1 3.66Å; V217-F255 HydrophobicContact CG1-CE1 3.51Å; V217-F255 HydrophobicContact CG2-CD1 4.09Å; V217-F255 HydrophobicContact CG2-CE1 4.47Å; V217-F362 HydrophobicContact CB-CZ 4.47Å; V217-F362 HydrophobicContact CG1-CZ 4.33Å; V217-F362 HydrophobicContact CG2-CE1 4.23Å; V217-F362 HydrophobicContact CG2-CE2 3.82Å; V217-F362 HydrophobicContact CG2-CZ 3.34Å
218E88.6Confident80.6Confident74 Ų7443.2 Ų43.235%0.34624%0.237SC..EExtended strand (participates in β ladder)trans-123.2130.8-174.7-174.4171.6171.600111.3Q224 N225 L253 L254E218-Q224 CarbonylContact C-O 3.57Å; E218-Q224 WeakPolarHBondContact CA-O 3.46Å; E218-N225 HydrophobicContact CB-CB 4.35Å; E218-N225 HydrophobicContact CG-CB 4.33Å; E218-L253 CarbonylContact O-C 3.01Å; E218-L253 WeakPolarHBondContact O-CA 3.31Å; E218-L253 WeakPolarHBondContact O-CD1 3.47Å; E218-L254 HydrophobicContact CB-CB 4.45Å; E218-L254 PolarHBondContact N-O 3.21Å; E218-L254 PolarHBondContact O-N 3.49Å
219L83.6Confident80.3Confident0 Ų042.7 Ų42.70%024%0.236CC..EExtended strand (participates in β ladder)trans-98.5142167.1-175.776.4000108.6S223 Q224 F244 L246 L253 I277L219-S223 VanDerWaalsContact O-CA 3.32Å; L219-S223 WeakPolarHBondContact O-CA 3.4Å; L219-Q224 HydrophobicContact CB-CB 4.26Å; L219-Q224 PolarHBondContact N-O 3.29Å; L219-Q224 PolarHBondContact O-N 2.8Å; L219-F244 HydrophobicContact CB-CD1 3.69Å; L219-F244 HydrophobicContact CB-CE1 3.93Å; L219-F244 HydrophobicContact CD2-CD1 4.33Å; L219-L246 HydrophobicContact CD1-CD2 3.6Å; L219-L246 HydrophobicContact CD2-CD2 3.78Å; L219-L246 HydrophobicContact CG-CD2 4.37Å; L219-L253 HydrophobicContact CB-CD1 3.97Å; L219-L253 HydrophobicContact CD1-CD1 4.05Å; L219-I277 HydrophobicContact CD1-CD1 3.74Å; L219-I277 HydrophobicContact CD1-CG1 4.22Å
220D88.6Confident80.6Confident50 Ų5042.8 Ų42.827%0.26723%0.234SC..THydrogen-bonded Turntrans-66.2-60.5178.962-14.1000114.1S223 S250 R251 E252D220-S223 WeakPolarHBondContact O-CA 3.4Å; D220-S223 WeakPolarHBondContact O-CB 3.44Å; D220-S223 PolarHBondContact O-N 3.35Å; D220-S223 VanDerWaalsContact O-N 3.09Å; D220-S250 WeakPolarHBondContact OD1-CA 3.44Å; D220-R251 PolarHBondContact OD1-N 3Å; D220-R251 WeakPolarHBondContact OD2-CA 3.39Å; D220-R251 VanDerWaalsContact OD2-CB 3.23Å; D220-R251 WeakPolarHBondContact OD2-CB 3.16Å; D220-R251 PolarHBondContact OD2-N 2.86Å; D220-E252 PolarHBondContact N-O 2.9Å; D220-E252 PolarHBondContact OD1-N 3.42Å; D220-E252 PolarHBondContact OD2-N 2.93Å; D220-E252 VanDerWaalsContact OD2-N 3.15Å
221V81.2Confident80.5Confident54 Ų5443.1 Ų43.133%0.32724%0.236SC..THydrogen-bonded Turntrans-139.4123.1-168.9-175.10000111.2E249 S250V221-E249 HydrophobicContact CB-CB 4.27Å; V221-E249 HydrophobicContact CG1-CB 3.67Å; V221-S250 VanDerWaalsContact O-CA 3.25Å; V221-S250 WeakPolarHBondContact O-CA 3.47Å; V221-S250 VanDerWaalsContact O-CB 3.29Å; V221-S250 WeakPolarHBondContact O-CB 3.47Å; V221-S250 PolarHBondContact O-N 3.38Å; V221-S250 PolarHBondContact O-OG 3.23Å
222P80.5Confident80.2Confident44 Ų4443.6 Ų43.629%0.28625%0.246SC..THydrogen-bonded Turncis-64.7138.3-15.128-31.2000109.1Q224 T247P222-Q224 WeakPolarHBondContact O-CG 3.41Å; P222-Q224 PolarHBondContact O-N 2.83Å; P222-Q224 VanDerWaalsContact O-N 3.11Å; P222-Q224 PolarHBondContact O-NE2 3.48Å; P222-Q224 VanDerWaalsContact O-NE2 3.07Å; P222-T247 HydrophobicContact CG-CG2 4.27Å
223S86.6Confident79.2Confident84 Ų8441.3 Ų41.359%0.58724%0.242SC*.THydrogen-bonded Turntrans-53.8120.5-177.7177.20000110.3L219 D220L219-S223 VanDerWaalsContact O-CA 3.32Å; L219-S223 WeakPolarHBondContact O-CA 3.4Å; D220-S223 WeakPolarHBondContact O-CA 3.4Å; D220-S223 WeakPolarHBondContact O-CB 3.44Å; D220-S223 PolarHBondContact O-N 3.35Å; D220-S223 VanDerWaalsContact O-N 3.09Å
224Q84.3Confident78Confident37 Ų3745.3 Ų45.317%0.17327%0.27CS..EExtended strand (participates in β ladder)trans-140.4128-179.7-77.9163.788.600107E218 L219 P222 F244 Q245E218-Q224 CarbonylContact C-O 3.57Å; E218-Q224 WeakPolarHBondContact CA-O 3.46Å; L219-Q224 HydrophobicContact CB-CB 4.26Å; L219-Q224 PolarHBondContact N-O 3.29Å; L219-Q224 PolarHBondContact O-N 2.8Å; P222-Q224 WeakPolarHBondContact O-CG 3.41Å; P222-Q224 PolarHBondContact O-N 2.83Å; P222-Q224 VanDerWaalsContact O-N 3.11Å; P222-Q224 PolarHBondContact O-NE2 3.48Å; P222-Q224 VanDerWaalsContact O-NE2 3.07Å; Q224-F244 HydrophobicContact CB-CD1 3.91Å; Q224-F244 HydrophobicContact CB-CE1 4.09Å; Q224-Q245 PolarHBondContact NE2-O 2.68Å
225N87.4Confident76.7Confident103 Ų10347.3 Ų47.355%0.55128%0.283SS*.EExtended strand (participates in β ladder)trans-126.3145.1174.666.2-24.5000111.4V217 E218V217-N225 CarbonylContact O-C 3.58Å; V217-N225 VanDerWaalsContact O-CA 3.22Å; V217-N225 WeakPolarHBondContact O-CA 3.38Å; E218-N225 HydrophobicContact CB-CB 4.35Å; E218-N225 HydrophobicContact CG-CB 4.33Å
226H81.3Confident75.7Confident60 Ų6047.4 Ų47.428%0.27828%0.284SS..EExtended strand (participates in β ladder)trans-133.6155.3174.4-67.7-77.7000109.6V216 V217 F242 F244V216-H226 CarbonylContact C-O 3.55Å; V216-H226 WeakPolarHBondContact CA-O 3.32Å; V217-H226 PolarHBondContact N-O 3.13Å; V217-H226 PolarHBondContact O-N 2.89Å; H226-F242 HydrophobicContact CB-CB 4.01Å; H226-F242 HydrophobicContact CB-CD1 3.37Å; H226-F242 HydrophobicContact CB-CD2 3.75Å; H226-F242 HydrophobicContact CB-CE1 3.69Å; H226-F242 HydrophobicContact CB-CE2 4.02Å; H226-F242 HydrophobicContact CB-CG 3.4Å; H226-F242 HydrophobicContact CB-CZ 4Å; H226-F242 AromaticContact CG-CD1 3.55Å; H226-F242 AromaticContact CG-CG 3.66Å; H226-F242 AromaticContact ND1-CD1 3.7Å; H226-F244 AromaticContact CD2-CE1 3.62Å; H226-F244 AromaticContact CD2-CZ 3.51Å
227V84.5Confident74.4Confident78 Ų7852.3 Ų52.347%0.47330%0.303SS..EExtended strand (participates in β ladder)trans-130129.8-178.8-171.50000108.5Y214 A215 V216 F242Y214-V227 HydrophobicContact CD2-CG1 3.58Å; Y214-V227 HydrophobicContact CE2-CG1 4.08Å; Y214-V227 HydrophobicContact CG-CG1 4.49Å; A215-V227 CarbonylContact O-C 3.55Å; A215-V227 WeakPolarHBondContact O-CA 3.43Å; V216-V227 HydrophobicContact CG1-CG2 4.4Å; V216-V227 HydrophobicContact CG2-CG1 4.31Å; V216-V227 HydrophobicContact CG2-CG2 4.18Å; V227-F242 VanDerWaalsContact C-CZ 3.49Å; V227-F242 VanDerWaalsContact O-CZ 3.31Å; V227-F242 WeakPolarHBondContact O-CZ 3.5Å
228T76.5Confident73.5Confident9 Ų952.5 Ų52.56%0.05530%0.304CS..PPolyproline II helixtrans-67.4162174.869.50000111.2Y214 A215 W238 F242 F362Y214-T228 WeakPolarHBondContact CA-OG1 3.34Å; A215-T228 HydrophobicContact CB-CG2 3.89Å; A215-T228 PolarHBondContact N-OG1 2.87Å; A215-T228 PolarHBondContact O-N 3.36Å; T228-W238 HydrophobicContact CG2-CB 4.12Å; T228-W238 HydrophobicContact CG2-CD2 4.43Å; T228-W238 HydrophobicContact CG2-CG 4.12Å; T228-W238 PolarHBondContact OG1-NE1 2.95Å; T228-F242 HydrophobicContact CG2-CE2 3.82Å; T228-F242 HydrophobicContact CG2-CZ 4.12Å; T228-F362 HydrophobicContact CG2-CD2 3.99Å; T228-F362 HydrophobicContact CG2-CE2 4.25Å
229A71.8Confident72.4Confident38 Ų3854.8 Ų54.831%0.31432%0.319SS..PPolyproline II helixtrans-56.8163160.900000110.8W238 S240A229-W238 PolarHBondContact O-NE1 2.71Å; A229-S240 PolarHBondContact N-OG 3.15Å
230Q74.7Confident71.7Confident73 Ų7355.7 Ų55.734%0.34133%0.325SS..PPolyproline II helixtrans-75.6138.5165.9-67.2-178.1-4.900109.4Y214 H260Y214-Q230 HydrophobicContact CD1-CG 4.42Å; Q230-H260 VanDerWaalsContact NE2-CB 3.26Å; Q230-H260 PolarHBondContact NE2-CD2 3.37Å; Q230-H260 VanDerWaalsContact NE2-CG 3.31Å
231S63Low70.6Confident20 Ų2058.6 Ų58.614%0.1434%0.337CS..  trans-112.1161.5171.1-168.10000109.2K212 P213 P236 F237K212-S231 CarbonylContact C-O 3.5Å; K212-S231 VanDerWaalsContact CA-O 3.26Å; K212-S231 WeakPolarHBondContact CA-O 3.18Å; P213-S231 VanDerWaalsContact CD-O 3.29Å; P213-S231 WeakPolarHBondContact CD-O 3.45Å; P213-S231 PolarHBondContact O-N 2.8Å; S231-P236 VanDerWaalsContact CB-CB 3.45Å; S231-P236 WeakPolarHBondContact OG-CA 3.44Å; S231-P236 WeakPolarHBondContact OG-CB 3.29Å; S231-F237 PolarHBondContact OG-N 2.87Å; S231-F237 PolarHBondContact OG-O 2.84Å
232S62.5Low70.1Confident61 Ų6157.1 Ų57.143%0.42733%0.326SS..  trans-114.8147179-66.90000110.5R153R153-S232 PolarHBondContact NH2-OG 3.44Å; R153-S232 VanDerWaalsContact NH2-OG 3.15Å
233G52.4Low69.5Low21 Ų2159.1 Ų59.122%0.21633%0.333CS..SBendtrans101.4-177.5173.600000113.7H211H211-G233 PolarHBondContact O-N 2.76Å
234S51.4Low68.8Low85 Ų8555.2 Ų55.259%0.59431%0.305SS*.SBendtrans-84.9-14-178.151.60000114.4
235D53.9Low68.1Low80 Ų8057.1 Ų57.143%0.42831%0.314SS..SBendtrans-125.265.7175.8-167.519.4000109.9F237 L364 R365D235-F237 PolarHBondContact O-N 2.77Å; D235-L364 WeakPolarHBondContact CA-O 3.45Å; D235-R365 VanDerWaalsContact OD1-CG 3.24Å; D235-R365 WeakPolarHBondContact OD1-CG 3.05Å
236P63.7Low67.4Low2 Ų252.7 Ų52.71%0.01329%0.29CS..  trans-62.2132.3-178.728.6-39.8000111.8P213 S231 W238 L364P213-P236 HydrophobicContact CB-CG 4.39Å; P213-P236 HydrophobicContact CG-CB 3.55Å; P213-P236 HydrophobicContact CG-CG 3.46Å; P213-P236 VanDerWaalsContact CG-CG 3.46Å; S231-P236 VanDerWaalsContact CB-CB 3.45Å; S231-P236 WeakPolarHBondContact OG-CA 3.44Å; S231-P236 WeakPolarHBondContact OG-CB 3.29Å; P236-W238 HydrophobicContact CB-CH2 4.28Å; P236-W238 HydrophobicContact CB-CZ2 4Å; P236-W238 HydrophobicContact CG-CH2 4.04Å; P236-W238 HydrophobicContact CG-CZ2 4.17Å; P236-L364 VanDerWaalsContact CD-O 3.25Å; P236-L364 WeakPolarHBondContact CD-O 3.4Å; P236-L364 HydrophobicContact CG-CB 3.99Å; P236-L364 HydrophobicContact CG-CD2 3.54Å; P236-L364 HydrophobicContact CG-CG 4.29Å; P236-L364 PolarHBondContact O-N 3.38Å
237F60.5Low66.8Low126 Ų12652.7 Ų52.755%0.55329%0.294SS*.EExtended strand (participates in β ladder)trans-112133.8168.5-179.7-105.2000109.1S231 D235 D239 F362S231-F237 PolarHBondContact OG-N 2.87Å; S231-F237 PolarHBondContact OG-O 2.84Å; D235-F237 PolarHBondContact O-N 2.77Å; F237-D239 HydrophobicContact CE1-CB 3.96Å; F237-F362 WeakPolarHBondContact CD2-O 3.49Å
238W67.5Low66.3Low3 Ų361.3 Ų61.31%0.01132%0.318CS..EExtended strand (participates in β ladder)trans-120.8116.1173.8-55.4-80.9000108.7P213 A215 T228 A229 P236 S240 V257 F362 L364P213-W238 HydrophobicContact CB-CH2 4.4Å; P213-W238 HydrophobicContact CB-CZ2 3.86Å; P213-W238 HydrophobicContact CG-CZ2 4.09Å; P213-W238 WeakPolarHBondContact O-CZ2 3.35Å; P213-W238 PolarHBondContact O-NE1 3.24Å; P213-W238 VanDerWaalsContact O-NE1 3.11Å; A215-W238 HydrophobicContact CB-CH2 4.44Å; T228-W238 HydrophobicContact CG2-CB 4.12Å; T228-W238 HydrophobicContact CG2-CD2 4.43Å; T228-W238 HydrophobicContact CG2-CG 4.12Å; T228-W238 PolarHBondContact OG1-NE1 2.95Å; A229-W238 PolarHBondContact O-NE1 2.71Å; P236-W238 HydrophobicContact CB-CH2 4.28Å; P236-W238 HydrophobicContact CB-CZ2 4Å; P236-W238 HydrophobicContact CG-CH2 4.04Å; P236-W238 HydrophobicContact CG-CZ2 4.17Å; W238-S240 PolarHBondContact O-N 3.23Å; W238-V257 HydrophobicContact CH2-CG1 4.13Å; W238-F362 HydrophobicContact CB-CB 4.41Å; W238-F362 HydrophobicContact CE3-CB 3.62Å; W238-F362 HydrophobicContact CZ3-CB 4.27Å; W238-F362 PolarHBondContact N-O 2.96Å; W238-L364 HydrophobicContact CH2-CB 3.91Å; W238-L364 HydrophobicContact CH2-CD2 3.88Å; W238-L364 HydrophobicContact CH2-CG 4.4Å; W238-L364 HydrophobicContact CZ3-CB 3.55Å; W238-L364 HydrophobicContact CZ3-CD2 4.41Å; W238-L364 HydrophobicContact CZ3-CG 4.46Å
239D65.2Low66.5Low123 Ų12367 Ų6766%0.65834%0.344SS*.EExtended strand (participates in β ladder)trans-80.614.5173.466.1-9.5000112.7F237F237-D239 HydrophobicContact CE1-CB 3.96Å
240S67.5Low66.9Low18 Ų1865.6 Ų65.613%0.12633%0.332CS..EExtended strand (participates in β ladder)trans-69.6134.5-179.5-55.40000111A229 W238A229-S240 PolarHBondContact N-OG 3.15Å; W238-S240 PolarHBondContact O-N 3.23Å
241Q66Low67.4Low111 Ų11170.8 Ų70.852%0.51935%0.349SS..EExtended strand (participates in β ladder)trans-118.2126.2178-64.2-179.7-45.900109.9Y361Q241-Y361 HydrophobicContact CG-CE1 4.36Å; Q241-Y361 VanDerWaalsContact NE2-CZ 3.3Å; Q241-Y361 PolarHBondContact NE2-OH 3.27Å
242F72.1Confident68.6Low23 Ų2374.1 Ų74.110%0.10136%0.362CS..EExtended strand (participates in β ladder)trans-118.6145.6176.8-52.6-54.9000111.1V217 H226 V227 T228 F244 F359 F362V217-F242 HydrophobicContact CG2-CD2 4.05Å; V217-F242 HydrophobicContact CG2-CE2 4.06Å; H226-F242 HydrophobicContact CB-CB 4.01Å; H226-F242 HydrophobicContact CB-CD1 3.37Å; H226-F242 HydrophobicContact CB-CD2 3.75Å; H226-F242 HydrophobicContact CB-CE1 3.69Å; H226-F242 HydrophobicContact CB-CE2 4.02Å; H226-F242 HydrophobicContact CB-CG 3.4Å; H226-F242 HydrophobicContact CB-CZ 4Å; H226-F242 AromaticContact CG-CD1 3.55Å; H226-F242 AromaticContact CG-CG 3.66Å; H226-F242 AromaticContact ND1-CD1 3.7Å; V227-F242 VanDerWaalsContact C-CZ 3.49Å; V227-F242 VanDerWaalsContact O-CZ 3.31Å; V227-F242 WeakPolarHBondContact O-CZ 3.5Å; T228-F242 HydrophobicContact CG2-CE2 3.82Å; T228-F242 HydrophobicContact CG2-CZ 4.12Å; F242-F244 HydrophobicContact CB-CE2 3.93Å; F242-F359 WeakPolarHBondContact O-CA 3.49Å; F242-F362 HydrophobicContact CD2-CE2 4.08Å; F242-F362 HydrophobicContact CE2-CE2 4.04Å
243M67.6Low69.7Low87 Ų8771.4 Ų71.443%0.42934%0.343SS..EExtended strand (participates in β ladder)trans-115.2118.6177.6-177.5178.467.200108.5L357 F359M243-L357 HydrophobicContact CG-CB 4.27Å; M243-L357 HydrophobicContact CG-CD1 4.5Å; M243-L357 HydrophobicContact CG-CD2 3.68Å; M243-L357 HydrophobicContact CG-CG 4.35Å; M243-L357 HydrophobicContact SD-CD1 3.72Å; M243-L357 HydrophobicContact SD-CD2 3.7Å; M243-L357 HydrophobicContact SD-CG 4.17Å; M243-F359 HydrophobicContact CB-CE1 4.37Å
244F71.4Confident71.5Confident2 Ų272.1 Ų72.11%0.00934%0.341CS..EExtended strand (participates in β ladder)trans-102.2133.9175.8-70.3-85.5000111V217 L219 Q224 H226 F242 L246 L253 V360V217-F244 HydrophobicContact CB-CE2 4.43Å; V217-F244 HydrophobicContact CB-CZ 3.9Å; V217-F244 HydrophobicContact CG1-CE2 3.73Å; V217-F244 HydrophobicContact CG1-CZ 3.46Å; V217-F244 VanDerWaalsContact CG1-CZ 3.46Å; L219-F244 HydrophobicContact CB-CD1 3.69Å; L219-F244 HydrophobicContact CB-CE1 3.93Å; L219-F244 HydrophobicContact CD2-CD1 4.33Å; Q224-F244 HydrophobicContact CB-CD1 3.91Å; Q224-F244 HydrophobicContact CB-CE1 4.09Å; H226-F244 AromaticContact CD2-CE1 3.62Å; H226-F244 AromaticContact CD2-CZ 3.51Å; F242-F244 HydrophobicContact CB-CE2 3.93Å; F244-L246 HydrophobicContact CB-CD2 4.39Å; F244-L246 PolarHBondContact O-N 2.84Å; F244-L253 HydrophobicContact CD1-CD1 4.3Å; F244-L253 HydrophobicContact CD2-CD1 4.43Å; F244-L253 HydrophobicContact CE1-CD1 4.01Å; F244-L253 HydrophobicContact CE2-CD1 4.15Å; F244-L253 HydrophobicContact CG-CD1 4.49Å; F244-L253 HydrophobicContact CZ-CD1 3.93Å; F244-V360 HydrophobicContact CD2-CG2 4.34Å; F244-V360 HydrophobicContact CE2-CG2 4.33Å
245Q70.1Confident73.1Confident76 Ų7668 Ų6836%0.35531%0.313SS..EExtended strand (participates in β ladder)trans-86.3104.5168.8-63.5-173.115.700109.1Q224 L357Q224-Q245 PolarHBondContact NE2-O 2.68Å; Q245-L357 HydrophobicContact CG-CD2 4.42Å
246L71.1Confident74.8Confident10 Ų1065.9 Ų65.95%0.05230%0.301CS..  trans-84.9141.3176.3-57.9-179.3000111L219 F244 S250 I277 F356 T358L219-L246 HydrophobicContact CD1-CD2 3.6Å; L219-L246 HydrophobicContact CD2-CD2 3.78Å; L219-L246 HydrophobicContact CG-CD2 4.37Å; F244-L246 HydrophobicContact CB-CD2 4.39Å; F244-L246 PolarHBondContact O-N 2.84Å; L246-S250 WeakPolarHBondContact CA-OG 3.09Å; L246-I277 HydrophobicContact CD1-CG2 3.92Å; L246-I277 HydrophobicContact CD2-CD1 3.9Å; L246-I277 HydrophobicContact CD2-CG1 4.4Å; L246-F356 HydrophobicContact CB-CB 4.45Å; L246-F356 PolarHBondContact N-O 3.08Å; L246-T358 WeakPolarHBondContact CD1-OG1 3.37Å
247T69.7Low75.8Confident60 Ų6065.8 Ų65.837%0.36830%0.3SS..  trans-118.1176.5170.570.20000109.6P222 E249 S250P222-T247 HydrophobicContact CG-CG2 4.27Å; T247-E249 PolarHBondContact O-N 3.34Å; T247-E249 PolarHBondContact OG1-N 3.34Å; T247-S250 PolarHBondContact N-OG 3.19Å; T247-S250 WeakPolarHBondContact O-CB 3.43Å; T247-S250 PolarHBondContact O-N 3.07Å; T247-S250 PolarHBondContact O-OG 3.32Å; T247-S250 PolarHBondContact OG1-N 3.3Å; T247-S250 PolarHBondContact OG1-OG 3.43Å
248R74.7Confident77Confident259 Ų25961.5 Ų61.598%0.97728%0.28SS*.THydrogen-bonded Turntrans-66.2-15.8172.6-64.2-177.4-177.3179.60.9112.8
249E79.8Confident77.5Confident128 Ų12861.9 Ų61.960%0.59828%0.282SS*.THydrogen-bonded Turntrans-92.5-11.3179.4-62.9176.5-176.200112.4V221 T247 R251V221-E249 HydrophobicContact CB-CB 4.27Å; V221-E249 HydrophobicContact CG1-CB 3.67Å; T247-E249 PolarHBondContact O-N 3.34Å; T247-E249 PolarHBondContact OG1-N 3.34Å; E249-R251 WeakPolarHBondContact O-CG 3.43Å; E249-R251 PolarHBondContact O-N 3.41Å
250S81.2Confident77.7Confident9 Ų959 Ų596%0.06327%0.265CS..  trans-67.4120.1175.6-53.10000110.6D220 V221 L246 T247D220-S250 WeakPolarHBondContact OD1-CA 3.44Å; V221-S250 VanDerWaalsContact O-CA 3.25Å; V221-S250 WeakPolarHBondContact O-CA 3.47Å; V221-S250 VanDerWaalsContact O-CB 3.29Å; V221-S250 WeakPolarHBondContact O-CB 3.47Å; V221-S250 PolarHBondContact O-N 3.38Å; V221-S250 PolarHBondContact O-OG 3.23Å; L246-S250 WeakPolarHBondContact CA-OG 3.09Å; T247-S250 PolarHBondContact N-OG 3.19Å; T247-S250 WeakPolarHBondContact O-CB 3.43Å; T247-S250 PolarHBondContact O-N 3.07Å; T247-S250 PolarHBondContact O-OG 3.32Å; T247-S250 PolarHBondContact OG1-N 3.3Å; T247-S250 PolarHBondContact OG1-OG 3.43Å
251R84.7Confident77.4Confident182 Ų18260.3 Ų60.369%0.68727%0.272SS*.  trans-117.2-36.7-177.1-56.3-179.3179.3-176.1-0.6113D220 E249 S276 I277D220-R251 PolarHBondContact OD1-N 3Å; D220-R251 WeakPolarHBondContact OD2-CA 3.39Å; D220-R251 VanDerWaalsContact OD2-CB 3.23Å; D220-R251 WeakPolarHBondContact OD2-CB 3.16Å; D220-R251 PolarHBondContact OD2-N 2.86Å; E249-R251 WeakPolarHBondContact O-CG 3.43Å; E249-R251 PolarHBondContact O-N 3.41Å; R251-S276 CarbonylContact O-C 3.57Å; R251-S276 WeakPolarHBondContact O-CA 3.32Å; R251-I277 PolarHBondContact O-N 2.88Å
252E87Confident76.9Confident90 Ų9056.7 Ų56.742%0.42126%0.259SS..EExtended strand (participates in β ladder)trans-139.1143.9-169.7-61.6-176.6152.900112.6D220 L274 I275D220-E252 PolarHBondContact N-O 2.9Å; D220-E252 PolarHBondContact OD1-N 3.42Å; D220-E252 PolarHBondContact OD2-N 2.93Å; D220-E252 VanDerWaalsContact OD2-N 3.15Å; E252-L274 HydrophobicContact CB-CD1 4.05Å; E252-I275 CarbonylContact C-O 3.52Å; E252-I275 WeakPolarHBondContact CA-O 3.24Å
253L86.2Confident76.1Confident4 Ų459.1 Ų59.12%0.02127%0.273CS..EExtended strand (participates in β ladder)trans-120.3122.4172.4-168.468.3000108.4V217 E218 L219 F244 F255 I275 I277 L280 V360V217-L253 HydrophobicContact CG1-CD1 4.02Å; V217-L253 HydrophobicContact CG1-CD2 4.41Å; V217-L253 HydrophobicContact CG1-CG 4.22Å; E218-L253 CarbonylContact O-C 3.01Å; E218-L253 WeakPolarHBondContact O-CA 3.31Å; E218-L253 WeakPolarHBondContact O-CD1 3.47Å; L219-L253 HydrophobicContact CB-CD1 3.97Å; L219-L253 HydrophobicContact CD1-CD1 4.05Å; F244-L253 HydrophobicContact CD1-CD1 4.3Å; F244-L253 HydrophobicContact CD2-CD1 4.43Å; F244-L253 HydrophobicContact CE1-CD1 4.01Å; F244-L253 HydrophobicContact CE2-CD1 4.15Å; F244-L253 HydrophobicContact CG-CD1 4.49Å; F244-L253 HydrophobicContact CZ-CD1 3.93Å; L253-F255 HydrophobicContact CD2-CE1 3.98Å; L253-F255 HydrophobicContact CD2-CE2 4.41Å; L253-F255 HydrophobicContact CD2-CZ 3.57Å; L253-F255 HydrophobicContact CG-CE1 4.31Å; L253-F255 HydrophobicContact CG-CZ 4.04Å; L253-I275 HydrophobicContact CB-CG2 4.14Å; L253-I275 PolarHBondContact N-O 3.49Å; L253-I275 PolarHBondContact O-N 3.35Å; L253-I277 HydrophobicContact CB-CD1 4.08Å; L253-L280 HydrophobicContact CD2-CD2 4.41Å; L253-V360 HydrophobicContact CD2-CG2 4.39Å
254L89.9Confident75.3Confident36 Ų3657 Ų5719%0.18827%0.267CS..EExtended strand (participates in β ladder)trans-104.2136-178.9175.764.4000110V217 E218 E256 L272 L274V217-L254 CarbonylContact C-O 3.59Å; V217-L254 WeakPolarHBondContact CA-O 3.37Å; E218-L254 HydrophobicContact CB-CB 4.45Å; E218-L254 PolarHBondContact N-O 3.21Å; E218-L254 PolarHBondContact O-N 3.49Å; L254-E256 HydrophobicContact CD1-CG 4.15Å; L254-E256 HydrophobicContact CD2-CG 3.92Å; L254-E256 HydrophobicContact CG-CG 3.89Å; L254-L272 HydrophobicContact CD1-CB 4.13Å; L254-L272 HydrophobicContact CD1-CD1 4.1Å; L254-L272 HydrophobicContact CD1-CD2 4.47Å; L254-L272 HydrophobicContact CD1-CG 4.47Å; L254-L274 HydrophobicContact CB-CD1 3.77Å; L254-L274 HydrophobicContact CD1-CB 4.37Å; L254-L274 HydrophobicContact CD1-CD1 4Å; L254-L274 HydrophobicContact CG-CD1 4.45Å
255F86.4Confident74.7Confident0 Ų063.5 Ų63.50%031%0.312CS..EExtended strand (participates in β ladder)trans-116.6120.7170.6-52.4-75.4000108.4V216 V217 L253 L272 A273 I275 F290 I306 V308 V360 F362V216-F255 CarbonylContact O-C 3.41Å; V216-F255 WeakPolarHBondContact O-CA 3.08Å; V217-F255 HydrophobicContact CB-CD1 4.34Å; V217-F255 HydrophobicContact CG1-CD1 3.66Å; V217-F255 HydrophobicContact CG1-CE1 3.51Å; V217-F255 HydrophobicContact CG2-CD1 4.09Å; V217-F255 HydrophobicContact CG2-CE1 4.47Å; L253-F255 HydrophobicContact CD2-CE1 3.98Å; L253-F255 HydrophobicContact CD2-CE2 4.41Å; L253-F255 HydrophobicContact CD2-CZ 3.57Å; L253-F255 HydrophobicContact CG-CE1 4.31Å; L253-F255 HydrophobicContact CG-CZ 4.04Å; F255-L272 CarbonylContact O-C 3.39Å; F255-L272 WeakPolarHBondContact O-CA 3.37Å; F255-L272 VanDerWaalsContact O-CB 3.31Å; F255-L272 WeakPolarHBondContact O-CB 3.38Å; F255-A273 HydrophobicContact CB-CB 4.37Å; F255-A273 HydrophobicContact CD2-CB 4.15Å; F255-A273 WeakPolarHBondContact CD2-O 3.48Å; F255-A273 PolarHBondContact N-O 3.41Å; F255-A273 PolarHBondContact O-N 3.28Å; F255-I275 HydrophobicContact CE2-CG2 3.78Å; F255-I275 HydrophobicContact CZ-CG2 4.49Å; F255-F290 HydrophobicContact CD2-CD2 4.35Å; F255-F290 HydrophobicContact CE2-CD2 4.09Å; F255-F290 AromaticContact CE2-CE2 3.89Å; F255-F290 HydrophobicContact CE2-CE2 3.89Å; F255-I306 HydrophobicContact CB-CD1 4.14Å; F255-V308 HydrophobicContact CE1-CG1 4.18Å; F255-V308 HydrophobicContact CE1-CG2 4.38Å; F255-V308 HydrophobicContact CE2-CG2 4.37Å; F255-V308 HydrophobicContact CZ-CG1 3.91Å; F255-V308 HydrophobicContact CZ-CG2 4.2Å; F255-V360 HydrophobicContact CE1-CG1 3.8Å; F255-V360 HydrophobicContact CZ-CG1 4.22Å; F255-F362 AromaticContact CD1-CE1 3.41Å; F255-F362 HydrophobicContact CD1-CE1 3.41Å; F255-F362 VanDerWaalsContact CD1-CE1 3.41Å; F255-F362 AromaticContact CD1-CZ 3.79Å; F255-F362 HydrophobicContact CD1-CZ 3.79Å; F255-F362 AromaticContact CE1-CE1 3.48Å; F255-F362 HydrophobicContact CE1-CE1 3.48Å; F255-F362 VanDerWaalsContact CE1-CE1 3.48Å; F255-F362 AromaticContact CE1-CZ 3.67Å; F255-F362 HydrophobicContact CE1-CZ 3.67Å; F255-F362 HydrophobicContact CG-CE1 4.38Å; F255-F362 HydrophobicContact CZ-CE1 4.48Å
256E89.2Confident74.5Confident35 Ų3567.3 Ų67.316%0.16433%0.328CS..EExtended strand (participates in β ladder)trans-118.4128.2173.5-61.3-171.3146.600109.8A215 V216 L254 Y258 L272A215-E256 CarbonylContact C-O 3.53Å; A215-E256 VanDerWaalsContact CA-O 3.24Å; A215-E256 WeakPolarHBondContact CA-O 3.16Å; V216-E256 HydrophobicContact CB-CB 4.49Å; V216-E256 PolarHBondContact N-O 3.33Å; V216-E256 PolarHBondContact O-N 3.39Å; L254-E256 HydrophobicContact CD1-CG 4.15Å; L254-E256 HydrophobicContact CD2-CG 3.92Å; L254-E256 HydrophobicContact CG-CG 3.89Å; E256-Y258 HydrophobicContact CB-CD2 4.16Å; E256-Y258 HydrophobicContact CB-CE2 3.4Å; E256-Y258 VanDerWaalsContact CD-OH 3.28Å; E256-Y258 HydrophobicContact CG-CE2 4.4Å; E256-Y258 VanDerWaalsContact OE2-CE2 3.32Å; E256-Y258 WeakPolarHBondContact OE2-CE2 3.37Å; E256-Y258 PolarHBondContact OE2-OH 2.57Å; E256-L272 HydrophobicContact CG-CB 4.08Å
257V84.7Confident74.7Confident0 Ų068.9 Ų68.90%034%0.339CS..EExtended strand (participates in β ladder)trans-107131.3-179.2-172.40000108.5P213 A215 W238 L270 G271 L292 I306 L364P213-V257 HydrophobicContact CB-CG1 4.35Å; A215-V257 HydrophobicContact CB-CG2 4.32Å; W238-V257 HydrophobicContact CH2-CG1 4.13Å; V257-L270 HydrophobicContact CB-CB 4.25Å; V257-L270 HydrophobicContact CG1-CB 4.12Å; V257-L270 HydrophobicContact CG1-CD1 3.96Å; V257-L270 WeakPolarHBondContact O-CA 3.28Å; V257-L270 WeakPolarHBondContact O-CB 3.18Å; V257-L270 PolarHBondContact O-N 2.76Å; V257-G271 PolarHBondContact N-O 2.84Å; V257-G271 PolarHBondContact O-N 2.91Å; V257-L292 HydrophobicContact CB-CD1 4.33Å; V257-L292 HydrophobicContact CG2-CD1 4.15Å; V257-L292 HydrophobicContact CG2-CD2 4.11Å; V257-I306 HydrophobicContact CG2-CD1 4.01Å; V257-L364 HydrophobicContact CG1-CD1 4.44Å; V257-L364 HydrophobicContact CG1-CD2 4Å; V257-L364 HydrophobicContact CG2-CD1 4.12Å
258Y84.4Confident75.2Confident36 Ų3669 Ų6914%0.14134%0.339CS..EExtended strand (participates in β ladder)trans-130.1140.6-176.7-70.4-78.8000109.8P213 Y214 V216 E256 P267 V268 F269P213-Y258 CarbonylContact C-O 3.6Å; P213-Y258 WeakPolarHBondContact CA-O 3.24Å; Y214-Y258 HydrophobicContact CE2-CD2 4.07Å; Y214-Y258 HydrophobicContact CE2-CG 4.34Å; Y214-Y258 PolarHBondContact N-O 3.43Å; Y214-Y258 PolarHBondContact O-N 3Å; V216-Y258 HydrophobicContact CG2-CD2 4.02Å; V216-Y258 HydrophobicContact CG2-CE2 4.06Å; E256-Y258 HydrophobicContact CB-CD2 4.16Å; E256-Y258 HydrophobicContact CB-CE2 3.4Å; E256-Y258 VanDerWaalsContact CD-OH 3.28Å; E256-Y258 HydrophobicContact CG-CE2 4.4Å; E256-Y258 VanDerWaalsContact OE2-CE2 3.32Å; E256-Y258 WeakPolarHBondContact OE2-CE2 3.37Å; E256-Y258 PolarHBondContact OE2-OH 2.57Å; Y258-P267 HydrophobicContact CD1-CB 3.76Å; Y258-P267 HydrophobicContact CD1-CG 3.83Å; Y258-P267 HydrophobicContact CE1-CG 4.23Å; Y258-P267 HydrophobicContact CG-CB 4.04Å; Y258-P267 HydrophobicContact CG-CG 4.29Å; Y258-V268 CarbonylContact C-O 3.59Å; Y258-V268 VanDerWaalsContact CA-O 3.24Å; Y258-V268 WeakPolarHBondContact CA-O 3.44Å; Y258-F269 HydrophobicContact CD1-CB 4.28Å; Y258-F269 HydrophobicContact CD1-CD2 4.39Å; Y258-F269 HydrophobicContact CE1-CB 4.06Å; Y258-F269 AromaticContact CE1-CD2 3.83Å; Y258-F269 HydrophobicContact CE1-CD2 3.83Å; Y258-F269 HydrophobicContact CE1-CG 4.46Å
259D78.1Confident75.7Confident10 Ų1058.2 Ų58.25%0.05330%0.299CS..EExtended strand (participates in β ladder)trans-91.2127.3165.3-169.714.6000110.1H211 K212 V261 V268 L270H211-D259 IonicContact CE1-OD2 3.8Å; H211-D259 IonicContact CG-OD2 3.61Å; H211-D259 IonicContact ND1-OD2 2.76Å; H211-D259 PolarHBondContact ND1-OD2 2.81Å; K212-D259 PolarHBondContact N-OD1 2.88Å; D259-V261 PolarHBondContact O-N 3.11Å; D259-V261 VanDerWaalsContact O-N 3.16Å; D259-V268 HydrophobicContact CB-CB 4.24Å; D259-V268 PolarHBondContact N-O 2.68Å; D259-V268 PolarHBondContact O-N 3.27Å; D259-L270 HydrophobicContact CB-CD1 3.76Å; D259-L270 HydrophobicContact CB-CD2 4.02Å; D259-L270 HydrophobicContact CB-CG 3.94Å
260H70.1Confident75.6Confident64 Ų6452.4 Ų52.430%0.29627%0.272SS..  trans-81.592.6169.7-167.559000110.6K212 Y214 Q230 S262K212-H260 HydrophobicContact CB-CB 4.31Å; K212-H260 PolarHBondContact O-N 2.89Å; K212-H260 VanDerWaalsContact O-N 3.14Å; Y214-H260 HydrophobicContact CD1-CB 4.23Å; Y214-H260 HydrophobicContact CE1-CB 4.09Å; Q230-H260 VanDerWaalsContact NE2-CB 3.26Å; Q230-H260 PolarHBondContact NE2-CD2 3.37Å; Q230-H260 VanDerWaalsContact NE2-CG 3.31Å; H260-S262 PolarHBondContact O-N 3Å
261V61.6Low75.6Confident45 Ų4552 Ų5227%0.27327%0.269SS..  trans-79.8122.4168.9-175.30000108.7D259 D263 S264 V268D259-V261 PolarHBondContact O-N 3.11Å; D259-V261 VanDerWaalsContact O-N 3.16Å; V261-D263 PolarHBondContact O-N 2.85Å; V261-S264 PolarHBondContact O-N 2.82Å; V261-S264 PolarHBondContact O-OG 3.01Å; V261-V268 HydrophobicContact CB-CG2 4.32Å; V261-V268 HydrophobicContact CG2-CB 4.29Å; V261-V268 HydrophobicContact CG2-CG2 3.55Å
262S54.9Low75.9Confident35 Ų3543.9 Ų43.925%0.24524%0.239CC..THydrogen-bonded Turntrans-53.6-25.7-172.463.80000114.5H260 K454H260-S262 PolarHBondContact O-N 3Å; S262-K454 WeakPolarHBondContact O-CE 3.41Å; S262-K454 PolarHBondContact O-NZ 3.25Å
263D54.8Low75.8Confident73 Ų7339.8 Ų39.839%0.3922%0.221SC..THydrogen-bonded Turntrans-107.5-3.4-176.3-97.5-13000116.5T166 V261 K454T166-D263 VanDerWaalsContact CB-OD2 3.26Å; T166-D263 WeakPolarHBondContact CB-OD2 3.33Å; T166-D263 PolarHBondContact OG1-OD2 2.8Å; V261-D263 PolarHBondContact O-N 2.85Å; D263-K454 IonicContact OD1-NZ 3.88Å; D263-K454 PolarHBondContact OD1-NZ 3.48Å
264S52.3Low75.9Confident43 Ų4344 Ų4430%0.30124%0.243SC..  trans-92.6132.3173.963.20000110.9V261 K266V261-S264 PolarHBondContact O-N 2.82Å; V261-S264 PolarHBondContact O-OG 3.01Å; S264-K266 WeakPolarHBondContact CB-O 3.45Å; S264-K266 PolarHBondContact O-N 3.41Å; S264-K266 PolarHBondContact OG-O 2.76Å
265S58Low75.8Confident138 Ų13842.4 Ų42.497%0.96524%0.235SC*.SBendtrans-64.5-29170.551.50000111.6
266K66.2Low75.7Confident156 Ų15644.2 Ų44.268%0.67825%0.248SC*.SBendtrans-104.2132.1177.6-165.6176-178179.80109.8S264S264-K266 WeakPolarHBondContact CB-O 3.45Å; S264-K266 PolarHBondContact O-N 3.41Å; S264-K266 PolarHBondContact OG-O 2.76Å
267P75.9Confident75.2Confident43 Ų4342.8 Ų42.828%0.27924%0.241SC..PPolyproline II helixtrans-61.5147.9173.826.8-34000111.2Y214 Y258Y214-P267 HydrophobicContact CE1-CB 4.37Å; Y214-P267 WeakPolarHBondContact OH-CB 3.19Å; Y214-P267 WeakPolarHBondContact OH-CG 3.44Å; Y258-P267 HydrophobicContact CD1-CB 3.76Å; Y258-P267 HydrophobicContact CD1-CG 3.83Å; Y258-P267 HydrophobicContact CE1-CG 4.23Å; Y258-P267 HydrophobicContact CG-CB 4.04Å; Y258-P267 HydrophobicContact CG-CG 4.29Å
268V79.6Confident74.7Confident62 Ų6248.7 Ų48.738%0.37627%0.273SS..EExtended strand (participates in β ladder)trans-82120.1175.9174.50000107.9Y258 D259 V261 L270Y258-V268 CarbonylContact C-O 3.59Å; Y258-V268 VanDerWaalsContact CA-O 3.24Å; Y258-V268 WeakPolarHBondContact CA-O 3.44Å; D259-V268 HydrophobicContact CB-CB 4.24Å; D259-V268 PolarHBondContact N-O 2.68Å; D259-V268 PolarHBondContact O-N 3.27Å; V261-V268 HydrophobicContact CB-CG2 4.32Å; V261-V268 HydrophobicContact CG2-CB 4.29Å; V261-V268 HydrophobicContact CG2-CG2 3.55Å; V268-L270 PolarHBondContact O-N 2.9Å
269F83.9Confident74.4Confident34 Ų3451.6 Ų51.615%0.14929%0.288CS..EExtended strand (participates in β ladder)trans-69.2127.5176.4177.6-107.7000110.3Y258 G271 L272 H295 E300 I302Y258-F269 HydrophobicContact CD1-CB 4.28Å; Y258-F269 HydrophobicContact CD1-CD2 4.39Å; Y258-F269 HydrophobicContact CE1-CB 4.06Å; Y258-F269 AromaticContact CE1-CD2 3.83Å; Y258-F269 HydrophobicContact CE1-CD2 3.83Å; Y258-F269 HydrophobicContact CE1-CG 4.46Å; F269-G271 VanDerWaalsContact CE1-CA 3.49Å; F269-L272 HydrophobicContact CE2-CB 3.95Å; F269-L272 HydrophobicContact CE2-CD2 4.22Å; F269-L272 HydrophobicContact CE2-CG 4.4Å; F269-L272 HydrophobicContact CZ-CB 3.88Å; F269-L272 HydrophobicContact CZ-CD2 3.88Å; F269-L272 HydrophobicContact CZ-CG 3.92Å; F269-H295 AromaticContact CD1-CE1 3.45Å; F269-H295 VanDerWaalsContact CD1-CE1 3.45Å; F269-H295 WeakPolarHBondContact CD1-CE1 3.5Å; F269-H295 AromaticContact CD1-ND1 3.68Å; F269-H295 AromaticContact CD2-CE1 3.46Å; F269-H295 VanDerWaalsContact CD2-CE1 3.46Å; F269-H295 WeakPolarHBondContact CD2-CE1 3.29Å; F269-H295 AromaticContact CD2-NE2 3.92Å; F269-H295 AromaticContact CE1-CE1 3.48Å; F269-H295 VanDerWaalsContact CE1-CE1 3.48Å; F269-H295 WeakPolarHBondContact CE1-CE1 3.28Å; F269-H295 AromaticContact CE1-ND1 3.44Å; F269-H295 WeakPolarHBondContact CE1-ND1 3.39Å; F269-H295 AromaticContact CE2-CE1 3.48Å; F269-H295 VanDerWaalsContact CE2-CE1 3.48Å; F269-H295 WeakPolarHBondContact CE2-CE1 3.29Å; F269-H295 AromaticContact CE2-NE2 3.74Å; F269-H295 AromaticContact CG-CE1 3.41Å; F269-H295 VanDerWaalsContact CG-CE1 3.41Å; F269-H295 WeakPolarHBondContact CG-CE1 3.42Å; F269-H295 AromaticContact CZ-CE1 3.48Å; F269-H295 VanDerWaalsContact CZ-CE1 3.48Å; F269-H295 WeakPolarHBondContact CZ-CE1 3.25Å; F269-H295 AromaticContact CZ-ND1 3.68Å; F269-H295 AromaticContact CZ-NE2 3.97Å; F269-E300 WeakPolarHBondContact CD1-OE2 3.43Å; F269-E300 WeakPolarHBondContact CE1-OE2 3.47Å; F269-I302 HydrophobicContact CD1-CD1 4.3Å; F269-I302 HydrophobicContact CE1-CD1 4.16Å; F269-I302 HydrophobicContact CE1-CG1 4.26Å
270L78.1Confident74.1Confident5 Ų551.6 Ų51.63%0.02629%0.288CS..EExtended strand (participates in β ladder)trans-104.6-16.8177.6-64.8178.9000112.6P213 V257 D259 V268 I302 I366 L369P213-L270 HydrophobicContact CB-CD1 3.88Å; V257-L270 HydrophobicContact CB-CB 4.25Å; V257-L270 HydrophobicContact CG1-CB 4.12Å; V257-L270 HydrophobicContact CG1-CD1 3.96Å; V257-L270 WeakPolarHBondContact O-CA 3.28Å; V257-L270 WeakPolarHBondContact O-CB 3.18Å; V257-L270 PolarHBondContact O-N 2.76Å; D259-L270 HydrophobicContact CB-CD1 3.76Å; D259-L270 HydrophobicContact CB-CD2 4.02Å; D259-L270 HydrophobicContact CB-CG 3.94Å; V268-L270 PolarHBondContact O-N 2.9Å; L270-I302 VanDerWaalsContact O-CG2 3.29Å; L270-I302 WeakPolarHBondContact O-CG2 3.14Å; L270-I366 HydrophobicContact CB-CD1 4.31Å; L270-I366 HydrophobicContact CD1-CD1 3.73Å; L270-I366 HydrophobicContact CG-CD1 4.45Å; L270-L369 HydrophobicContact CD2-CD1 4.48Å
271G81.9Confident74.1Confident0 Ų053 Ų530%029%0.294CS..EExtended strand (participates in β ladder)trans143161.7-179.500000113V257 F269 Q293V257-G271 PolarHBondContact N-O 2.84Å; V257-G271 PolarHBondContact O-N 2.91Å; F269-G271 VanDerWaalsContact CE1-CA 3.49Å; G271-Q293 WeakPolarHBondContact CA-O 3.16Å
272L90.4Very high74.5Confident12 Ų1255.2 Ų55.26%0.06331%0.311CS..EExtended strand (participates in β ladder)trans-128.3161.2175.467.682.3000112.9L254 F255 E256 F269 L292 Q293L254-L272 HydrophobicContact CD1-CB 4.13Å; L254-L272 HydrophobicContact CD1-CD1 4.1Å; L254-L272 HydrophobicContact CD1-CD2 4.47Å; L254-L272 HydrophobicContact CD1-CG 4.47Å; F255-L272 CarbonylContact O-C 3.39Å; F255-L272 WeakPolarHBondContact O-CA 3.37Å; F255-L272 VanDerWaalsContact O-CB 3.31Å; F255-L272 WeakPolarHBondContact O-CB 3.38Å; E256-L272 HydrophobicContact CG-CB 4.08Å; F269-L272 HydrophobicContact CE2-CB 3.95Å; F269-L272 HydrophobicContact CE2-CD2 4.22Å; F269-L272 HydrophobicContact CE2-CG 4.4Å; F269-L272 HydrophobicContact CZ-CB 3.88Å; F269-L272 HydrophobicContact CZ-CD2 3.88Å; F269-L272 HydrophobicContact CZ-CG 3.92Å; L272-L292 CarbonylContact O-C 3.58Å; L272-L292 WeakPolarHBondContact O-CA 3.48Å; L272-Q293 PolarHBondContact N-O 2.79Å; L272-Q293 PolarHBondContact O-N 2.66Å
273A84.7Confident75Confident5 Ų555 Ų554%0.04131%0.307CS..EExtended strand (participates in β ladder)trans-137.1134.6167.600000109.2F255 F290 L292 I306F255-A273 HydrophobicContact CB-CB 4.37Å; F255-A273 HydrophobicContact CD2-CB 4.15Å; F255-A273 WeakPolarHBondContact CD2-O 3.48Å; F255-A273 PolarHBondContact N-O 3.41Å; F255-A273 PolarHBondContact O-N 3.28Å; A273-F290 HydrophobicContact CB-CB 3.62Å; A273-F290 HydrophobicContact CB-CG 4.27Å; A273-L292 HydrophobicContact CB-CD2 4.28Å; A273-I306 HydrophobicContact CB-CG2 4Å
274L89.9Confident75.2Confident92 Ų9256.2 Ų56.248%0.48232%0.321SS..EExtended strand (participates in β ladder)trans-118.9135.7178.1-17371.6000108.7E252 L254E252-L274 HydrophobicContact CB-CD1 4.05Å; L254-L274 HydrophobicContact CB-CD1 3.77Å; L254-L274 HydrophobicContact CD1-CB 4.37Å; L254-L274 HydrophobicContact CD1-CD1 4Å; L254-L274 HydrophobicContact CG-CD1 4.45Å
275I86.4Confident75.7Confident3 Ų362.5 Ų62.52%0.01534%0.338CS..EExtended strand (participates in β ladder)trans-136.8141.1175.8-179158.6000111.2E252 L253 F255 E279 L280 M283 F290E252-I275 CarbonylContact C-O 3.52Å; E252-I275 WeakPolarHBondContact CA-O 3.24Å; L253-I275 HydrophobicContact CB-CG2 4.14Å; L253-I275 PolarHBondContact N-O 3.49Å; L253-I275 PolarHBondContact O-N 3.35Å; F255-I275 HydrophobicContact CE2-CG2 3.78Å; F255-I275 HydrophobicContact CZ-CG2 4.49Å; I275-E279 HydrophobicContact CD1-CB 4.33Å; I275-E279 HydrophobicContact CD1-CG 4.11Å; I275-E279 HydrophobicContact CG1-CB 4.15Å; I275-E279 HydrophobicContact CG1-CG 4.33Å; I275-L280 HydrophobicContact CD1-CB 4.18Å; I275-L280 HydrophobicContact CD1-CD1 3.8Å; I275-L280 HydrophobicContact CG1-CB 4.35Å; I275-L280 HydrophobicContact CG1-CD1 4.43Å; I275-L280 HydrophobicContact CG2-CD1 4.22Å; I275-M283 HydrophobicContact CD1-CE 3.4Å; I275-M283 HydrophobicContact CD1-SD 3.75Å; I275-F290 HydrophobicContact CB-CE1 4.32Å; I275-F290 HydrophobicContact CB-CZ 4.34Å; I275-F290 HydrophobicContact CD1-CE1 3.49Å; I275-F290 VanDerWaalsContact CD1-CE1 3.49Å; I275-F290 HydrophobicContact CD1-CZ 3.47Å; I275-F290 VanDerWaalsContact CD1-CZ 3.47Å; I275-F290 HydrophobicContact CG1-CE1 4.43Å; I275-F290 HydrophobicContact CG1-CZ 4.48Å; I275-F290 HydrophobicContact CG2-CZ 4.34Å
276S85.7Confident75.9Confident38 Ų3858.9 Ų58.927%0.26631%0.312SS..EExtended strand (participates in β ladder)trans-75.9143.3172.175.90000111.9R251 N278 E279 L280R251-S276 CarbonylContact O-C 3.57Å; R251-S276 WeakPolarHBondContact O-CA 3.32Å; S276-N278 PolarHBondContact O-N 2.79Å; S276-E279 PolarHBondContact O-N 2.93Å; S276-E279 VanDerWaalsContact O-N 3.12Å; S276-E279 WeakPolarHBondContact OG-CB 3.45Å; S276-E279 PolarHBondContact OG-N 2.64Å; S276-E279 VanDerWaalsContact OG-N 3.1Å; S276-L280 WeakPolarHBondContact O-CB 3.46Å; S276-L280 PolarHBondContact O-N 3.43Å
277I77.7Confident76Confident5 Ų556.3 Ų56.33%0.02631%0.305CS..Hα-helixtrans-59.7-33.9176.5-61.7-57.6000111.2L219 L246 R251 L253 L280 Q281L219-I277 HydrophobicContact CD1-CD1 3.74Å; L219-I277 HydrophobicContact CD1-CG1 4.22Å; L246-I277 HydrophobicContact CD1-CG2 3.92Å; L246-I277 HydrophobicContact CD2-CD1 3.9Å; L246-I277 HydrophobicContact CD2-CG1 4.4Å; R251-I277 PolarHBondContact O-N 2.88Å; L253-I277 HydrophobicContact CB-CD1 4.08Å; I277-L280 HydrophobicContact CD1-CD2 4.3Å; I277-L280 WeakPolarHBondContact O-CB 3.41Å; I277-L280 PolarHBondContact O-N 3.43Å; I277-Q281 HydrophobicContact CG2-CG 4.38Å; I277-Q281 WeakPolarHBondContact O-CB 3.26Å; I277-Q281 WeakPolarHBondContact O-CG 3.24Å; I277-Q281 PolarHBondContact O-N 3.2Å
278N74.9Confident75.7Confident123 Ų12355.5 Ų55.566%0.65830%0.297SS*.Hα-helixtrans-65.7-44.8175.5-71.3-24.7000112S276 Q281 S282S276-N278 PolarHBondContact O-N 2.79Å; N278-Q281 PolarHBondContact O-N 3.03Å; N278-S282 WeakPolarHBondContact O-CB 3.48Å; N278-S282 PolarHBondContact O-N 3.44Å
279E77.8Confident75.2Confident98 Ų9860.8 Ų60.846%0.45831%0.31SS..Hα-helixtrans-62.9-45.6175.4-174.4-178.4176.300110.5I275 S276 Q281 S282 M283I275-E279 HydrophobicContact CD1-CB 4.33Å; I275-E279 HydrophobicContact CD1-CG 4.11Å; I275-E279 HydrophobicContact CG1-CB 4.15Å; I275-E279 HydrophobicContact CG1-CG 4.33Å; S276-E279 PolarHBondContact O-N 2.93Å; S276-E279 VanDerWaalsContact O-N 3.12Å; S276-E279 WeakPolarHBondContact OG-CB 3.45Å; S276-E279 PolarHBondContact OG-N 2.64Å; S276-E279 VanDerWaalsContact OG-N 3.1Å; E279-Q281 VanDerWaalsContact C-N 3.3Å; E279-Q281 PolarHBondContact O-N 2.96Å; E279-S282 WeakPolarHBondContact O-CB 3.44Å; E279-S282 PolarHBondContact O-N 2.67Å; E279-S282 PolarHBondContact O-OG 3.07Å; E279-M283 HydrophobicContact CG-CE 4.12Å; E279-M283 WeakPolarHBondContact O-CG 3.3Å; E279-M283 PolarHBondContact O-N 3.46Å
280L71.6Confident74.8Confident10 Ų1060.3 Ų60.35%0.05231%0.308CS..Hα-helixtrans-56.4-42.4176.7-164.274.7000112.4L253 I275 S276 I277 M283 V310 T358L253-L280 HydrophobicContact CD2-CD2 4.41Å; I275-L280 HydrophobicContact CD1-CB 4.18Å; I275-L280 HydrophobicContact CD1-CD1 3.8Å; I275-L280 HydrophobicContact CG1-CB 4.35Å; I275-L280 HydrophobicContact CG1-CD1 4.43Å; I275-L280 HydrophobicContact CG2-CD1 4.22Å; S276-L280 WeakPolarHBondContact O-CB 3.46Å; S276-L280 PolarHBondContact O-N 3.43Å; I277-L280 HydrophobicContact CD1-CD2 4.3Å; I277-L280 WeakPolarHBondContact O-CB 3.41Å; I277-L280 PolarHBondContact O-N 3.43Å; L280-M283 HydrophobicContact CD1-SD 4.32Å; L280-M283 PolarHBondContact O-N 3.16Å; L280-V310 HydrophobicContact CD1-CB 4.22Å; L280-V310 HydrophobicContact CD1-CG1 3.89Å; L280-V310 HydrophobicContact CD1-CG2 3.6Å; L280-V310 HydrophobicContact CD2-CG1 3.86Å; L280-V310 HydrophobicContact CG-CG1 3.78Å; L280-V310 HydrophobicContact CG-CG2 4.42Å; L280-T358 HydrophobicContact CD2-CG2 4.17Å
281Q69.6Low74.8Confident94 Ų9466.9 Ų66.944%0.43934%0.337SS..Hα-helixtrans-72.5-29.2177.1-73.7176.52.300113I277 N278 E279 M283I277-Q281 HydrophobicContact CG2-CG 4.38Å; I277-Q281 WeakPolarHBondContact O-CB 3.26Å; I277-Q281 WeakPolarHBondContact O-CG 3.24Å; I277-Q281 PolarHBondContact O-N 3.2Å; N278-Q281 PolarHBondContact O-N 3.03Å; E279-Q281 VanDerWaalsContact C-N 3.3Å; E279-Q281 PolarHBondContact O-N 2.96Å; Q281-M283 VanDerWaalsContact C-N 3.25Å; Q281-M283 PolarHBondContact O-N 3.21Å
282S69.7Low74.7Confident90 Ų9067 Ų6763%0.62934%0.337SS*.Hα-helixtrans-74.1-17.2177.779.40000113.3N278 E279 S284N278-S282 WeakPolarHBondContact O-CB 3.48Å; N278-S282 PolarHBondContact O-N 3.44Å; E279-S282 WeakPolarHBondContact O-CB 3.44Å; E279-S282 PolarHBondContact O-N 2.67Å; E279-S282 PolarHBondContact O-OG 3.07Å; S282-S284 PolarHBondContact O-N 3.32Å
283M67Low74.3Confident32 Ų3272.1 Ų72.116%0.15836%0.361CS..  trans-67.7132.1-177.4-74164.1162.800112.4I275 E279 L280 Q281 Q288 F290 R315I275-M283 HydrophobicContact CD1-CE 3.4Å; I275-M283 HydrophobicContact CD1-SD 3.75Å; E279-M283 HydrophobicContact CG-CE 4.12Å; E279-M283 WeakPolarHBondContact O-CG 3.3Å; E279-M283 PolarHBondContact O-N 3.46Å; L280-M283 HydrophobicContact CD1-SD 4.32Å; L280-M283 PolarHBondContact O-N 3.16Å; Q281-M283 VanDerWaalsContact C-N 3.25Å; Q281-M283 PolarHBondContact O-N 3.21Å; M283-Q288 HydrophobicContact CE-CG 4.34Å; M283-Q288 HydrophobicContact SD-CG 3.49Å; M283-Q288 WeakPolarHBondContact SD-CG 3.14Å; M283-Q288 PolarHBondContact SD-OE1 2.98Å; M283-F290 HydrophobicContact CE-CE1 4Å; M283-F290 HydrophobicContact CE-CZ 4.28Å; M283-R315 PolarHBondContact O-NH2 3.25Å
284S59.1Low73.9Confident98 Ų9872.5 Ų72.569%0.68537%0.366SS*.SBendtrans-83.7-30.9-177.758.40000113.2S282S282-S284 PolarHBondContact O-N 3.32Å
285R61.5Low73.6Confident174 Ų17471.1 Ų71.166%0.65736%0.357SS*.SBendtrans-94.8143.4-179.2-62.8-172.4178.9-160.5-0.7111.1Q288R285-Q288 PolarHBondContact O-NE2 2.72Å
286P61.7Low73.2Confident63 Ų6375.6 Ų75.641%0.40939%0.386SS..SBendtrans-64.8-51.6172.1-22.633.7000111.6Q288 E309 V310P286-Q288 PolarHBondContact O-N 3.14Å; P286-E309 HydrophobicContact CB-CG 3.74Å; P286-E309 CarbonylContact O-C 3.58Å; P286-E309 WeakPolarHBondContact O-CA 3.43Å; P286-V310 WeakPolarHBondContact CA-O 3.24Å; P286-V310 PolarHBondContact O-N 3.47Å
287L69.9Low72.6Confident102 Ų10285.4 Ų85.453%0.53442%0.419SS..EExtended strand (participates in β ladder)trans-76112.3179.9-171.868.2000112.1F307 E309L287-F307 HydrophobicContact CD1-CB 4.23Å; L287-E309 HydrophobicContact CD1-CB 4.02Å
288Q68Low72.5Confident26 Ų2687 Ų8712%0.12143%0.43CS..EExtended strand (participates in β ladder)trans-97.7160174.1-60.9-53.4-38.200112M283 R285 P286 F290 F307 V308 V310M283-Q288 HydrophobicContact CE-CG 4.34Å; M283-Q288 HydrophobicContact SD-CG 3.49Å; M283-Q288 WeakPolarHBondContact SD-CG 3.14Å; M283-Q288 PolarHBondContact SD-OE1 2.98Å; R285-Q288 PolarHBondContact O-NE2 2.72Å; P286-Q288 PolarHBondContact O-N 3.14Å; Q288-F290 HydrophobicContact CB-CE1 4.38Å; Q288-F290 HydrophobicContact CB-CE2 3.81Å; Q288-F290 HydrophobicContact CB-CZ 3.6Å; Q288-F290 HydrophobicContact CG-CZ 4.21Å; Q288-F307 CarbonylContact O-C 3.53Å; Q288-F307 WeakPolarHBondContact O-CA 3.48Å; Q288-V308 WeakPolarHBondContact CA-O 3.19Å; Q288-V308 HydrophobicContact CB-CB 4.43Å; Q288-V308 VanDerWaalsContact CB-O 3.29Å; Q288-V308 WeakPolarHBondContact CB-O 3.24Å; Q288-V308 PolarHBondContact N-O 3.14Å; Q288-V308 PolarHBondContact O-N 3.27Å; Q288-V310 HydrophobicContact CG-CG2 4.13Å
289R68.9Low72.2Confident172 Ų17289.3 Ų89.365%0.64944%0.442SS*.EExtended strand (participates in β ladder)trans-136.5125.7175.273.7-179.286.4111-6.4109.4F307R289-F307 HydrophobicContact CB-CD1 3.63Å; R289-F307 HydrophobicContact CB-CE1 3.75Å
290F76.8Confident71.8Confident24 Ų2488.6 Ų88.611%0.10544%0.439CS..EExtended strand (participates in β ladder)trans-119135.9178.2-53.9-63.4000109.6F255 A273 I275 M283 Q288 K305 I306 V308F255-F290 HydrophobicContact CD2-CD2 4.35Å; F255-F290 HydrophobicContact CE2-CD2 4.09Å; F255-F290 AromaticContact CE2-CE2 3.89Å; F255-F290 HydrophobicContact CE2-CE2 3.89Å; A273-F290 HydrophobicContact CB-CB 3.62Å; A273-F290 HydrophobicContact CB-CG 4.27Å; I275-F290 HydrophobicContact CB-CE1 4.32Å; I275-F290 HydrophobicContact CB-CZ 4.34Å; I275-F290 HydrophobicContact CD1-CE1 3.49Å; I275-F290 VanDerWaalsContact CD1-CE1 3.49Å; I275-F290 HydrophobicContact CD1-CZ 3.47Å; I275-F290 VanDerWaalsContact CD1-CZ 3.47Å; I275-F290 HydrophobicContact CG1-CE1 4.43Å; I275-F290 HydrophobicContact CG1-CZ 4.48Å; I275-F290 HydrophobicContact CG2-CZ 4.34Å; M283-F290 HydrophobicContact CE-CE1 4Å; M283-F290 HydrophobicContact CE-CZ 4.28Å; Q288-F290 HydrophobicContact CB-CE1 4.38Å; Q288-F290 HydrophobicContact CB-CE2 3.81Å; Q288-F290 HydrophobicContact CB-CZ 3.6Å; Q288-F290 HydrophobicContact CG-CZ 4.21Å; F290-K305 CarbonylContact O-C 3.57Å; F290-K305 WeakPolarHBondContact O-CA 3.35Å; F290-K305 WeakPolarHBondContact O-CB 3.33Å; F290-I306 HydrophobicContact CB-CG2 3.78Å; F290-I306 HydrophobicContact CD2-CG2 4.24Å; F290-I306 PolarHBondContact N-O 3.09Å; F290-I306 PolarHBondContact O-N 2.72Å; F290-V308 HydrophobicContact CD2-CB 4.16Å; F290-V308 HydrophobicContact CD2-CG2 3.64Å; F290-V308 HydrophobicContact CE2-CB 3.77Å; F290-V308 HydrophobicContact CE2-CG1 4.47Å; F290-V308 HydrophobicContact CE2-CG2 3.74Å
291K78.7Confident71.5Confident144 Ų14494.8 Ų94.863%0.62648%0.477SS*.EExtended strand (participates in β ladder)trans-78.9131.4170.2-173.6-175.4175.3-172.90107.5
292L79.1Confident71.4Confident1 Ų191.9 Ų91.91%0.00546%0.464CS..  trans-71.8145.8174.1-68.3-176000110.9V257 L272 A273 I302 G304 I306 L364V257-L292 HydrophobicContact CB-CD1 4.33Å; V257-L292 HydrophobicContact CG2-CD1 4.15Å; V257-L292 HydrophobicContact CG2-CD2 4.11Å; L272-L292 CarbonylContact O-C 3.58Å; L272-L292 WeakPolarHBondContact O-CA 3.48Å; A273-L292 HydrophobicContact CB-CD2 4.28Å; L292-I302 HydrophobicContact CB-CG2 3.61Å; L292-G304 PolarHBondContact N-O 3.04Å; L292-I306 HydrophobicContact CD2-CB 4.17Å; L292-I306 HydrophobicContact CD2-CG2 3.86Å; L292-L364 HydrophobicContact CD1-CD1 3.63Å; L292-L364 HydrophobicContact CG-CD1 4.33Å
293Q81Confident71.3Confident120 Ų12088.9 Ų88.956%0.56144%0.444SS*.BIsolated β-bridgetrans-131.7161.7-178.8-61.9-175.9-1600110.4G271 L272G271-Q293 WeakPolarHBondContact CA-O 3.16Å; L272-Q293 PolarHBondContact N-O 2.79Å; L272-Q293 PolarHBondContact O-N 2.66Å
294G77.2Confident71.3Confident14 Ų1488 Ų8814%0.14444%0.443CS..PPolyproline II helixtrans-66.9171.916800000111.9
295H82.8Confident71.7Confident63 Ų6388.5 Ų88.529%0.29243%0.433SS..PPolyproline II helixtrans-57.8148168.4-65.488.8000111.2F269 Y297 S298 E300F269-H295 AromaticContact CD1-CE1 3.45Å; F269-H295 VanDerWaalsContact CD1-CE1 3.45Å; F269-H295 WeakPolarHBondContact CD1-CE1 3.5Å; F269-H295 AromaticContact CD1-ND1 3.68Å; F269-H295 AromaticContact CD2-CE1 3.46Å; F269-H295 VanDerWaalsContact CD2-CE1 3.46Å; F269-H295 WeakPolarHBondContact CD2-CE1 3.29Å; F269-H295 AromaticContact CD2-NE2 3.92Å; F269-H295 AromaticContact CE1-CE1 3.48Å; F269-H295 VanDerWaalsContact CE1-CE1 3.48Å; F269-H295 WeakPolarHBondContact CE1-CE1 3.28Å; F269-H295 AromaticContact CE1-ND1 3.44Å; F269-H295 WeakPolarHBondContact CE1-ND1 3.39Å; F269-H295 AromaticContact CE2-CE1 3.48Å; F269-H295 VanDerWaalsContact CE2-CE1 3.48Å; F269-H295 WeakPolarHBondContact CE2-CE1 3.29Å; F269-H295 AromaticContact CE2-NE2 3.74Å; F269-H295 AromaticContact CG-CE1 3.41Å; F269-H295 VanDerWaalsContact CG-CE1 3.41Å; F269-H295 WeakPolarHBondContact CG-CE1 3.42Å; F269-H295 AromaticContact CZ-CE1 3.48Å; F269-H295 VanDerWaalsContact CZ-CE1 3.48Å; F269-H295 WeakPolarHBondContact CZ-CE1 3.25Å; F269-H295 AromaticContact CZ-ND1 3.68Å; F269-H295 AromaticContact CZ-NE2 3.97Å; H295-Y297 PolarHBondContact O-N 2.85Å; H295-S298 PolarHBondContact N-OG 2.82Å; H295-S298 VanDerWaalsContact O-CB 3.3Å; H295-S298 WeakPolarHBondContact O-CB 3.5Å; H295-S298 PolarHBondContact O-N 3.47Å; H295-S298 PolarHBondContact O-OG 2.86Å; H295-E300 IonicContact CE1-OE2 3.7Å; H295-E300 IonicContact CG-OE2 3.56Å; H295-E300 PolarHBondContact N-OE2 2.97Å; H295-E300 IonicContact ND1-OE1 3.88Å; H295-E300 IonicContact ND1-OE2 3.53Å; H295-E300 PolarHBondContact ND1-OE2 3.41Å
296P78.6Confident72.1Confident96 Ų9680.2 Ų80.262%0.62340%0.401SS*.THydrogen-bonded Turntrans-51134.3171.8-25.533.9000110.8S298P296-S298 PolarHBondContact O-N 3.44Å
297Y73.4Confident72.5Confident245 Ų24579.1 Ų79.196%0.96139%0.39SS*.THydrogen-bonded Turntrans63.617.9-177.9-41.7-76.2000115.3H295H295-Y297 PolarHBondContact O-N 2.85Å
298S75.3Confident72.7Confident39 Ų3974.2 Ų74.227%0.27337%0.365SS..  trans-101.4147.9169.576.80000111.5H295 P296 E300H295-S298 PolarHBondContact N-OG 2.82Å; H295-S298 VanDerWaalsContact O-CB 3.3Å; H295-S298 WeakPolarHBondContact O-CB 3.5Å; H295-S298 PolarHBondContact O-N 3.47Å; H295-S298 PolarHBondContact O-OG 2.86Å; P296-S298 PolarHBondContact O-N 3.44Å; S298-E300 PolarHBondContact O-N 3.3Å; S298-E300 PolarHBondContact OG-OE2 3.28Å
299D68.5Low72.6Confident170 Ų17075.9 Ų75.991%0.90937%0.372SS*.  trans-87.621.5172.2-64.1-41.6000111.9V301D299-V301 PolarHBondContact O-N 3.15Å
300E69.8Low72.5Confident83 Ų8368.1 Ų68.139%0.38834%0.344SS..  trans-66.1116.5-178.3-69.2172.7168.700110.4F269 H295 S298 I302F269-E300 WeakPolarHBondContact CD1-OE2 3.43Å; F269-E300 WeakPolarHBondContact CE1-OE2 3.47Å; H295-E300 IonicContact CE1-OE2 3.7Å; H295-E300 IonicContact CG-OE2 3.56Å; H295-E300 PolarHBondContact N-OE2 2.97Å; H295-E300 IonicContact ND1-OE1 3.88Å; H295-E300 IonicContact ND1-OE2 3.53Å; H295-E300 PolarHBondContact ND1-OE2 3.41Å; S298-E300 PolarHBondContact O-N 3.3Å; S298-E300 PolarHBondContact OG-OE2 3.28Å; E300-I302 HydrophobicContact CB-CD1 4.19Å; E300-I302 HydrophobicContact CB-CG1 4.11Å; E300-I302 PolarHBondContact O-N 3.06Å
301V65.2Low71.9Confident141 Ų14168.9 Ų68.986%0.85535%0.352SS*.  trans-79.492.9175-176.80000108.8D299D299-V301 PolarHBondContact O-N 3.15Å
302I68Low70.9Confident32 Ų3263.8 Ų63.816%0.16433%0.334CS..  trans-97.9131.5178.9-60.5-53000111.1F269 L270 L292 E300F269-I302 HydrophobicContact CD1-CD1 4.3Å; F269-I302 HydrophobicContact CE1-CD1 4.16Å; F269-I302 HydrophobicContact CE1-CG1 4.26Å; L270-I302 VanDerWaalsContact O-CG2 3.29Å; L270-I302 WeakPolarHBondContact O-CG2 3.14Å; L292-I302 HydrophobicContact CB-CG2 3.61Å; E300-I302 HydrophobicContact CB-CD1 4.19Å; E300-I302 HydrophobicContact CB-CG1 4.11Å; E300-I302 PolarHBondContact O-N 3.06Å
303S66.5Low69.6Low28 Ų2865.6 Ų65.620%0.19635%0.345CS..  trans-116.8160.5171.662.40000110.4G367 D368S303-G367 PolarHBondContact OG-O 3.07Å; S303-D368 PolarHBondContact OG-O 2.86Å
304G67.4Low68Low14 Ų1465.6 Ų65.614%0.14434%0.339CS..  trans108.6169.7178.800000114.7L292 R365L292-G304 PolarHBondContact N-O 3.04Å; G304-R365 WeakPolarHBondContact CA-O 3.38Å
305K67.5Low66.6Low108 Ų10871 Ų7147%0.4736%0.355SS..EExtended strand (participates in β ladder)trans-140.3139.8-177.6-63.1174.4-174.1167.20109.9F290 F307 L364 R365F290-K305 CarbonylContact O-C 3.57Å; F290-K305 WeakPolarHBondContact O-CA 3.35Å; F290-K305 WeakPolarHBondContact O-CB 3.33Å; K305-F307 HydrophobicContact CB-CE2 4.34Å; K305-L364 WeakPolarHBondContact O-CA 3.18Å; K305-L364 WeakPolarHBondContact O-CD1 2.91Å; K305-R365 PolarHBondContact N-O 3.05Å; K305-R365 PolarHBondContact O-N 2.9Å; K305-R365 VanDerWaalsContact O-N 3.07Å
306I70.2Confident64.6Low0 Ų076.7 Ų76.70%038%0.375CS..EExtended strand (participates in β ladder)trans-106122.3169.8-166.7172.8000108.9F255 V257 A273 F290 L292 V308 F362 S363 L364F255-I306 HydrophobicContact CB-CD1 4.14Å; V257-I306 HydrophobicContact CG2-CD1 4.01Å; A273-I306 HydrophobicContact CB-CG2 4Å; F290-I306 HydrophobicContact CB-CG2 3.78Å; F290-I306 HydrophobicContact CD2-CG2 4.24Å; F290-I306 PolarHBondContact N-O 3.09Å; F290-I306 PolarHBondContact O-N 2.72Å; L292-I306 HydrophobicContact CD2-CB 4.17Å; L292-I306 HydrophobicContact CD2-CG2 3.86Å; I306-V308 HydrophobicContact CD1-CG2 4.43Å; I306-V308 HydrophobicContact CG1-CG2 4.03Å; I306-V308 HydrophobicContact CG2-CG2 4.31Å; I306-F362 HydrophobicContact CD1-CD1 3.5Å; I306-F362 VanDerWaalsContact CD1-CD1 3.5Å; I306-F362 HydrophobicContact CD1-CE1 3.88Å; I306-F362 HydrophobicContact CG1-CD1 3.83Å; I306-S363 CarbonylContact C-O 3.48Å; I306-L364 HydrophobicContact CB-CD1 3.87Å; I306-L364 HydrophobicContact CG1-CD1 4.29Å
307F69.9Low62.9Low39 Ų3974.8 Ų74.817%0.17136%0.36CS..EExtended strand (participates in β ladder)trans-92.6131.6173.5-62.5-87.5000107.6L287 Q288 R289 K305 F362 S363 R365L287-F307 HydrophobicContact CD1-CB 4.23Å; Q288-F307 CarbonylContact O-C 3.53Å; Q288-F307 WeakPolarHBondContact O-CA 3.48Å; R289-F307 HydrophobicContact CB-CD1 3.63Å; R289-F307 HydrophobicContact CB-CE1 3.75Å; K305-F307 HydrophobicContact CB-CE2 4.34Å; F307-F362 CarbonylContact O-C 3.53Å; F307-F362 WeakPolarHBondContact O-CA 3.34Å; F307-S363 WeakPolarHBondContact CA-O 3.35Å; F307-S363 WeakPolarHBondContact CB-O 3.45Å; F307-S363 VanDerWaalsContact CD2-O 3.24Å; F307-S363 WeakPolarHBondContact CD2-O 3.21Å; F307-S363 PolarHBondContact N-O 3.04Å; F307-S363 PolarHBondContact O-N 2.8Å; F307-R365 HydrophobicContact CE2-CB 4.42Å; F307-R365 HydrophobicContact CE2-CG 4.16Å
308V72.9Confident61.6Low0 Ų066.9 Ų66.90%033%0.334CS..EExtended strand (participates in β ladder)trans-131.8113-171.1-174.90000111.2F255 Q288 F290 I306 V310 V360 Y361 F362F255-V308 HydrophobicContact CE1-CG1 4.18Å; F255-V308 HydrophobicContact CE1-CG2 4.38Å; F255-V308 HydrophobicContact CE2-CG2 4.37Å; F255-V308 HydrophobicContact CZ-CG1 3.91Å; F255-V308 HydrophobicContact CZ-CG2 4.2Å; Q288-V308 WeakPolarHBondContact CA-O 3.19Å; Q288-V308 HydrophobicContact CB-CB 4.43Å; Q288-V308 VanDerWaalsContact CB-O 3.29Å; Q288-V308 WeakPolarHBondContact CB-O 3.24Å; Q288-V308 PolarHBondContact N-O 3.14Å; Q288-V308 PolarHBondContact O-N 3.27Å; F290-V308 HydrophobicContact CD2-CB 4.16Å; F290-V308 HydrophobicContact CD2-CG2 3.64Å; F290-V308 HydrophobicContact CE2-CB 3.77Å; F290-V308 HydrophobicContact CE2-CG1 4.47Å; F290-V308 HydrophobicContact CE2-CG2 3.74Å; I306-V308 HydrophobicContact CD1-CG2 4.43Å; I306-V308 HydrophobicContact CG1-CG2 4.03Å; I306-V308 HydrophobicContact CG2-CG2 4.31Å; V308-V310 HydrophobicContact CG1-CG2 3.8Å; V308-V310 PolarHBondContact O-N 2.86Å; V308-V360 HydrophobicContact CG1-CB 4.37Å; V308-V360 HydrophobicContact CG1-CG1 3.13Å; V308-Y361 CarbonylContact C-O 3.36Å; V308-Y361 WeakPolarHBondContact CA-O 3.46Å; V308-F362 HydrophobicContact CB-CE1 4.49Å; V308-F362 HydrophobicContact CG1-CD1 4.42Å; V308-F362 HydrophobicContact CG1-CE1 4.01Å; V308-F362 HydrophobicContact CG2-CD1 3.76Å; V308-F362 HydrophobicContact CG2-CE1 3.74Å
309E67.1Low60.2Low61 Ų6168.9 Ų68.929%0.28535%0.348SS..EExtended strand (participates in β ladder)trans-88.3113.9176-169.6-176.4-176.800111.2P286 L287 V360 Y361P286-E309 HydrophobicContact CB-CG 3.74Å; P286-E309 CarbonylContact O-C 3.58Å; P286-E309 WeakPolarHBondContact O-CA 3.43Å; L287-E309 HydrophobicContact CD1-CB 4.02Å; E309-V360 CarbonylContact O-C 3.51Å; E309-V360 WeakPolarHBondContact O-CA 3.39Å; E309-Y361 HydrophobicContact CB-CD2 3.58Å; E309-Y361 HydrophobicContact CB-CG 3.82Å; E309-Y361 HydrophobicContact CG-CD2 4.01Å; E309-Y361 PolarHBondContact N-O 2.88Å; E309-Y361 PolarHBondContact O-N 2.85Å; E309-Y361 WeakPolarHBondContact OE2-CD2 3.42Å
310V67.4Low58.9Low9 Ų968.1 Ų68.16%0.05533%0.333CS..EExtended strand (participates in β ladder)trans-107.7117.1-173.5-172.60000109.7L280 P286 Q288 V308 P312 T358 F359L280-V310 HydrophobicContact CD1-CB 4.22Å; L280-V310 HydrophobicContact CD1-CG1 3.89Å; L280-V310 HydrophobicContact CD1-CG2 3.6Å; L280-V310 HydrophobicContact CD2-CG1 3.86Å; L280-V310 HydrophobicContact CG-CG1 3.78Å; L280-V310 HydrophobicContact CG-CG2 4.42Å; P286-V310 WeakPolarHBondContact CA-O 3.24Å; P286-V310 PolarHBondContact O-N 3.47Å; Q288-V310 HydrophobicContact CG-CG2 4.13Å; V308-V310 HydrophobicContact CG1-CG2 3.8Å; V308-V310 PolarHBondContact O-N 2.86Å; V310-P312 WeakPolarHBondContact O-CD 3.42Å; V310-T358 HydrophobicContact CG1-CG2 3.31Å; V310-F359 CarbonylContact C-O 3.57Å; V310-F359 WeakPolarHBondContact CA-O 3.46Å
311C63Low57.8Low39 Ų3966.5 Ų66.526%0.26433%0.325SS..EExtended strand (participates in β ladder)trans-118.3100.5-179.9-73.70000110.8V313 F359C311-V313 PolarHBondContact O-N 2.8Å; C311-F359 HydrophobicContact CB-CB 4.2Å; C311-F359 PolarHBondContact N-O 3.4Å; C311-F359 PolarHBondContact O-N 2.8Å; C311-F359 VanDerWaalsContact O-N 3.09Å
312P58.9Low57Low38 Ų3865.8 Ų65.825%0.24731%0.314CS..EExtended strand (participates in β ladder)trans-72.6118.1171.8-10.725.6000110.2V310 R314 R315V310-P312 WeakPolarHBondContact O-CD 3.42Å; P312-R314 PolarHBondContact O-N 2.84Å; P312-R314 VanDerWaalsContact O-N 3.12Å; P312-R315 PolarHBondContact O-N 3.17Å
313V51.3Low56Low39 Ų3967.9 Ų67.924%0.23633%0.331CS..Hα-helixtrans-62.4-22.9-177.1174.90000112.9C311 R315 Y316 L317 L357 F359C311-V313 PolarHBondContact O-N 2.8Å; V313-R315 VanDerWaalsContact C-N 3.25Å; V313-R315 PolarHBondContact O-N 3.25Å; V313-Y316 PolarHBondContact O-N 3.25Å; V313-Y316 VanDerWaalsContact O-N 3.08Å; V313-L317 HydrophobicContact CG1-CD1 4.37Å; V313-L317 HydrophobicContact CG1-CG 4.4Å; V313-L317 PolarHBondContact O-N 3.25Å; V313-L357 HydrophobicContact CB-CB 4.08Å; V313-L357 WeakPolarHBondContact CB-O 3.34Å; V313-L357 HydrophobicContact CG2-CB 3.74Å; V313-L357 WeakPolarHBondContact CG2-O 3.31Å; V313-L357 PolarHBondContact N-O 2.94Å; V313-F359 HydrophobicContact CG2-CD2 3.86Å; V313-F359 HydrophobicContact CG2-CE2 3.48Å; V313-F359 VanDerWaalsContact CG2-CE2 3.48Å
314R48Very low55.1Low120 Ų12068.9 Ų68.945%0.45334%0.336SS..Hα-helixtrans-53.2-43.9175.3-159.2-163.5-165.1152.61.2111.9P312 Y316 L317 D318 F356P312-R314 PolarHBondContact O-N 2.84Å; P312-R314 VanDerWaalsContact O-N 3.12Å; R314-Y316 VanDerWaalsContact C-N 3.3Å; R314-Y316 PolarHBondContact O-N 2.95Å; R314-L317 PolarHBondContact O-N 3.36Å; R314-D318 PolarHBondContact O-N 2.83Å; R314-F356 HydrophobicContact CB-CD1 4.2Å; R314-F356 HydrophobicContact CB-CE1 4.33Å; R314-F356 HydrophobicContact CG-CD1 4.42Å; R314-F356 HydrophobicContact CG-CE1 4.05Å
315R46Very low54Low127 Ų12770 Ų7048%0.47934%0.339SS..Hα-helixtrans-66.2-32.7-178.2-71.3-169.3-176.7165.58.9112.2M283 P312 V313 S319M283-R315 PolarHBondContact O-NH2 3.25Å; P312-R315 PolarHBondContact O-N 3.17Å; V313-R315 VanDerWaalsContact C-N 3.25Å; V313-R315 PolarHBondContact O-N 3.25Å; R315-S319 WeakPolarHBondContact O-CB 3.3Å; R315-S319 PolarHBondContact O-N 3.48Å
316Y42.4Very low53.2Low182 Ų18269.7 Ų69.771%0.71435%0.35SS*.Hα-helixtrans-73.3-44.3-179.2-124.2-84.8000111.6V313 R314 W320V313-Y316 PolarHBondContact O-N 3.25Å; V313-Y316 VanDerWaalsContact O-N 3.08Å; R314-Y316 VanDerWaalsContact C-N 3.3Å; R314-Y316 PolarHBondContact O-N 2.95Å; Y316-W320 WeakPolarHBondContact O-CB 3.26Å; Y316-W320 PolarHBondContact O-N 2.85Å
317L42.8Very low52.2Low57 Ų5772.6 Ų72.630%0.29838%0.38SS..Hα-helixtrans-61.2-51.5174.3-67.5173.9000109.4V313 R314 S319 W320 F321 I351V313-L317 HydrophobicContact CG1-CD1 4.37Å; V313-L317 HydrophobicContact CG1-CG 4.4Å; V313-L317 PolarHBondContact O-N 3.25Å; R314-L317 PolarHBondContact O-N 3.36Å; L317-S319 PolarHBondContact O-N 2.77Å; L317-W320 PolarHBondContact O-N 2.95Å; L317-F321 HydrophobicContact CB-CD2 4.3Å; L317-F321 HydrophobicContact CD2-CD2 4.5Å; L317-F321 HydrophobicContact CD2-CE2 4.17Å; L317-F321 WeakPolarHBondContact O-CB 3.36Å; L317-F321 WeakPolarHBondContact O-CD2 3.5Å; L317-F321 PolarHBondContact O-N 2.61Å; L317-I351 HydrophobicContact CD1-CD1 4.26Å; L317-I351 HydrophobicContact CD1-CG1 4.39Å; L317-I351 HydrophobicContact CD1-CG2 4.43Å
318D45.4Very low51Low78 Ų7877.6 Ų77.642%0.41740%0.404SS..Hα-helixtrans-60.3-44.1-179.1-68.7-25000112.8R314 M322R314-D318 PolarHBondContact O-N 2.83Å; D318-M322 WeakPolarHBondContact O-CB 3.31Å; D318-M322 WeakPolarHBondContact O-CG 3.4Å; D318-M322 PolarHBondContact O-N 3.38Å
319S47Very low49.7Very low82 Ų8281.3 Ų81.357%0.57342%0.42SS*.Hα-helixtrans-69.3-47.1-179.9173.50000113.1R315 L317 F321 M322 S323R315-S319 WeakPolarHBondContact O-CB 3.3Å; R315-S319 PolarHBondContact O-N 3.48Å; L317-S319 PolarHBondContact O-N 2.77Å; S319-F321 VanDerWaalsContact C-N 3.32Å; S319-M322 PolarHBondContact O-N 3.21Å; S319-S323 WeakPolarHBondContact O-CB 3.36Å; S319-S323 PolarHBondContact O-N 2.71Å
320W39.8Very low49Very low153 Ų15382.3 Ų82.358%0.5844%0.438SS*.Hα-helixtrans-65.4-38177.6-178.979.5000110.9Y316 L317 T324Y316-W320 WeakPolarHBondContact O-CB 3.26Å; Y316-W320 PolarHBondContact O-N 2.85Å; L317-W320 PolarHBondContact O-N 2.95Å; W320-T324 WeakPolarHBondContact O-CB 3.47Å; W320-T324 PolarHBondContact O-N 2.88Å; W320-T324 PolarHBondContact O-OG1 3.2Å
321F46.3Very low48.2Very low50 Ų5091.4 Ų91.422%0.21948%0.478CS..Hα-helixtrans-64.5-48.9173-92.7-96.5000111.7L317 S319 S323 T324 L325 L347L317-F321 HydrophobicContact CB-CD2 4.3Å; L317-F321 HydrophobicContact CD2-CD2 4.5Å; L317-F321 HydrophobicContact CD2-CE2 4.17Å; L317-F321 WeakPolarHBondContact O-CB 3.36Å; L317-F321 WeakPolarHBondContact O-CD2 3.5Å; L317-F321 PolarHBondContact O-N 2.61Å; S319-F321 VanDerWaalsContact C-N 3.32Å; F321-S323 VanDerWaalsContact C-N 3.29Å; F321-S323 PolarHBondContact O-N 3.05Å; F321-T324 PolarHBondContact O-N 3.11Å; F321-T324 VanDerWaalsContact O-N 3.15Å; F321-L325 WeakPolarHBondContact O-CB 3.28Å; F321-L325 VanDerWaalsContact O-CG 3.24Å; F321-L325 WeakPolarHBondContact O-CG 3.38Å; F321-L325 PolarHBondContact O-N 3.03Å; F321-L347 HydrophobicContact CE1-CD1 4.37Å; F321-L347 HydrophobicContact CZ-CD1 4.31Å
322M48.7Very low47.7Very low126 Ų12693 Ų9362%0.62148%0.482SS*.Hα-helixtrans-61.8-37.7179.5-73.6-65.6131.500112.3D318 S319 L325 S326D318-M322 WeakPolarHBondContact O-CB 3.31Å; D318-M322 WeakPolarHBondContact O-CG 3.4Å; D318-M322 PolarHBondContact O-N 3.38Å; S319-M322 PolarHBondContact O-N 3.21Å; M322-L325 HydrophobicContact CE-CD1 4.15Å; M322-S326 PolarHBondContact O-N 2.75Å; M322-S326 VanDerWaalsContact O-N 3.09Å; M322-S326 PolarHBondContact O-OG 3.2Å
323S48.3Very low47.9Very low75 Ų7597.2 Ų97.252%0.52450%0.503SS..Hα-helixtrans-64.2-42.5173.1156.50000112.7S319 F321 L325 S326 G327S319-S323 WeakPolarHBondContact O-CB 3.36Å; S319-S323 PolarHBondContact O-N 2.71Å; F321-S323 VanDerWaalsContact C-N 3.29Å; F321-S323 PolarHBondContact O-N 3.05Å; S323-L325 VanDerWaalsContact C-N 3.34Å; S323-S326 PolarHBondContact O-OG 3.04Å; S323-G327 PolarHBondContact O-N 3.05Å
324T46.2Very low48.4Very low50 Ų50103.7 Ų103.731%0.30753%0.53SS..Hα-helixtrans-68.4-38.4-179.2-56.60000110.9W320 F321 Q328W320-T324 WeakPolarHBondContact O-CB 3.47Å; W320-T324 PolarHBondContact O-N 2.88Å; W320-T324 PolarHBondContact O-OG1 3.2Å; F321-T324 PolarHBondContact O-N 3.11Å; F321-T324 VanDerWaalsContact O-N 3.15Å; T324-Q328 PolarHBondContact O-N 3.13Å
325L44.4Very low48.7Very low38 Ų38104.2 Ų104.220%0.19954%0.54CS..Hα-helixtrans-66.7-49178.1-71172.9000111.7F321 M322 S323 G327 Q328 F329F321-L325 WeakPolarHBondContact O-CB 3.28Å; F321-L325 VanDerWaalsContact O-CG 3.24Å; F321-L325 WeakPolarHBondContact O-CG 3.38Å; F321-L325 PolarHBondContact O-N 3.03Å; M322-L325 HydrophobicContact CE-CD1 4.15Å; S323-L325 VanDerWaalsContact C-N 3.34Å; L325-G327 PolarHBondContact O-N 3.44Å; L325-Q328 PolarHBondContact O-N 2.72Å; L325-F329 HydrophobicContact CB-CD2 3.87Å; L325-F329 HydrophobicContact CB-CE2 3.52Å; L325-F329 HydrophobicContact CD1-CE2 4.4Å; L325-F329 HydrophobicContact CD2-CD2 4.21Å; L325-F329 HydrophobicContact CD2-CE2 3.15Å; L325-F329 HydrophobicContact CD2-CZ 3.4Å; L325-F329 HydrophobicContact CG-CE2 3.78Å; L325-F329 HydrophobicContact CG-CZ 4.47Å; L325-F329 WeakPolarHBondContact O-CD2 3.19Å; L325-F329 PolarHBondContact O-N 3.17Å
326S50.6Low49.1Very low100 Ų100103.1 Ų103.170%0.69954%0.541SS*.Hα-helixtrans-63.1-29.6-178.8620000113.2M322 S323M322-S326 PolarHBondContact O-N 2.75Å; M322-S326 VanDerWaalsContact O-N 3.09Å; M322-S326 PolarHBondContact O-OG 3.2Å; S323-S326 PolarHBondContact O-OG 3.04Å
327G49.5Very low49.8Very low61 Ų6197.9 Ų97.963%0.62953%0.525SS*.Hα-helixtrans-77.4-32.8178.700000115.2S323 L325S323-G327 PolarHBondContact O-N 3.05Å; L325-G327 PolarHBondContact O-N 3.44Å
328Q45.6Very low50.6Low145 Ų145100.1 Ų100.168%0.67854%0.536SS*.Hα-helixtrans-101.3-16.5-171.7-73.5-172.3-8.600115.1T324 L325 A330T324-Q328 PolarHBondContact O-N 3.13Å; L325-Q328 PolarHBondContact O-N 2.72Å; Q328-A330 PolarHBondContact O-N 3.48Å; Q328-A330 VanDerWaalsContact O-N 3.16Å
329F44.7Very low51.1Low78 Ų78101 Ų10134%0.34254%0.541SS..THydrogen-bonded Turntrans-75-1.1-174.6-80.8-55.3000116.3L325 F331 M332 L337 S340L325-F329 HydrophobicContact CB-CD2 3.87Å; L325-F329 HydrophobicContact CB-CE2 3.52Å; L325-F329 HydrophobicContact CD1-CE2 4.4Å; L325-F329 HydrophobicContact CD2-CD2 4.21Å; L325-F329 HydrophobicContact CD2-CE2 3.15Å; L325-F329 HydrophobicContact CD2-CZ 3.4Å; L325-F329 HydrophobicContact CG-CE2 3.78Å; L325-F329 HydrophobicContact CG-CZ 4.47Å; L325-F329 WeakPolarHBondContact O-CD2 3.19Å; L325-F329 PolarHBondContact O-N 3.17Å; F329-F331 PolarHBondContact O-N 2.82Å; F329-M332 HydrophobicContact CD1-CE 4.32Å; F329-M332 HydrophobicContact CE1-CE 4.04Å; F329-L337 HydrophobicContact CD1-CD1 3.83Å; F329-L337 HydrophobicContact CE1-CD1 3.65Å; F329-L337 HydrophobicContact CZ-CD1 4.48Å; F329-S340 WeakPolarHBondContact CZ-OG 3.1Å
330A51.6Low51.4Low81 Ų8198.1 Ų98.167%0.66952%0.521SS*.THydrogen-bonded Turntrans-68.8-12.5-178.700000114.5Q328Q328-A330 PolarHBondContact O-N 3.48Å; Q328-A330 VanDerWaalsContact O-N 3.16Å
331F52.6Low52.3Low201 Ų20198.9 Ų98.988%0.88252%0.524SS*.SBendtrans-138.211.8-168.8-91.1-81.5000117.4F329F329-F331 PolarHBondContact O-N 2.82Å
332M51.1Low53.1Low71 Ų71101.5 Ų101.535%0.3554%0.539SS..  trans-93.8145.6-176.5-62.8-152.7-29.500114.7F329 E336F329-M332 HydrophobicContact CD1-CE 4.32Å; F329-M332 HydrophobicContact CE1-CE 4.04Å; M332-E336 HydrophobicContact CB-CB 4.18Å; M332-E336 HydrophobicContact CE-CB 3.47Å; M332-E336 VanDerWaalsContact CE-CB 3.47Å; M332-E336 WeakPolarHBondContact CE-O 3.37Å; M332-E336 HydrophobicContact SD-CB 3.89Å
333N63.1Low53.6Low128 Ų12899.6 Ų99.668%0.68453%0.53SS*.  trans-74.6160.6173.1-74.8-25.5000112.5I335 E336 L337N333-I335 VanDerWaalsContact C-N 3.29Å; N333-I335 PolarHBondContact O-N 3.23Å; N333-I335 VanDerWaalsContact O-N 3.16Å; N333-E336 PolarHBondContact O-N 3.03Å; N333-E336 VanDerWaalsContact O-N 3.09Å; N333-L337 PolarHBondContact O-N 3.43Å; N333-L337 VanDerWaalsContact O-N 3.08Å
334E62.8Low53.8Low174 Ų17497.6 Ų97.681%0.81351%0.513SS*.Hα-helixtrans-54.6-35.9-175.3-77-170.6158.700114.8L337 L338E334-L337 PolarHBondContact O-N 3.45Å; E334-L338 PolarHBondContact O-N 3.29Å
335I54.7Low54.2Low131 Ų13197.9 Ų97.967%0.67252%0.521SS*.Hα-helixtrans-69.6-41.3179.1-68.3-169.5000111.5N333 L337 L338 L339N333-I335 VanDerWaalsContact C-N 3.29Å; N333-I335 PolarHBondContact O-N 3.23Å; N333-I335 VanDerWaalsContact O-N 3.16Å; I335-L337 VanDerWaalsContact C-N 3.31Å; I335-L337 PolarHBondContact O-N 2.78Å; I335-L338 PolarHBondContact O-N 2.85Å; I335-L339 HydrophobicContact CG2-CD1 4.3Å; I335-L339 PolarHBondContact O-N 2.85Å
336E54Low54.7Low104 Ų10498.9 Ų98.949%0.48654%0.535SS..Hα-helixtrans-68-35176.7-67.2-172.4148.200111M332 N333 L338 L339 S340M332-E336 HydrophobicContact CB-CB 4.18Å; M332-E336 HydrophobicContact CE-CB 3.47Å; M332-E336 VanDerWaalsContact CE-CB 3.47Å; M332-E336 WeakPolarHBondContact CE-O 3.37Å; M332-E336 HydrophobicContact SD-CB 3.89Å; N333-E336 PolarHBondContact O-N 3.03Å; N333-E336 VanDerWaalsContact O-N 3.09Å; E336-L338 VanDerWaalsContact C-N 3.33Å; E336-L338 PolarHBondContact O-N 3.05Å; E336-L339 PolarHBondContact O-N 2.86Å; E336-S340 VanDerWaalsContact O-CB 3.28Å; E336-S340 WeakPolarHBondContact O-CB 3.37Å; E336-S340 PolarHBondContact O-N 3.36Å
337L56.3Low54.6Low73 Ų7397.2 Ų97.238%0.38252%0.518SS..Hα-helixtrans-61.7-41.8173.3-168.774.3000111.3F329 N333 E334 I335 R341F329-L337 HydrophobicContact CD1-CD1 3.83Å; F329-L337 HydrophobicContact CE1-CD1 3.65Å; F329-L337 HydrophobicContact CZ-CD1 4.48Å; N333-L337 PolarHBondContact O-N 3.43Å; N333-L337 VanDerWaalsContact O-N 3.08Å; E334-L337 PolarHBondContact O-N 3.45Å; I335-L337 VanDerWaalsContact C-N 3.31Å; I335-L337 PolarHBondContact O-N 2.78Å; L337-R341 VanDerWaalsContact O-CG 3.26Å; L337-R341 WeakPolarHBondContact O-CG 3.35Å; L337-R341 PolarHBondContact O-N 3.4Å
338L60.6Low54.7Low103 Ų10399.4 Ų99.454%0.53951%0.514SS..Hα-helixtrans-66.4-45.6177.1-161.284.9000111.8E334 I335 E336 S340 R341 I342E334-L338 PolarHBondContact O-N 3.29Å; I335-L338 PolarHBondContact O-N 2.85Å; E336-L338 VanDerWaalsContact C-N 3.33Å; E336-L338 PolarHBondContact O-N 3.05Å; L338-S340 VanDerWaalsContact C-N 3.35Å; L338-S340 PolarHBondContact O-N 3.47Å; L338-R341 PolarHBondContact O-N 3.37Å; L338-I342 HydrophobicContact CD2-CD1 4.32Å; L338-I342 HydrophobicContact CG-CD1 4.23Å; L338-I342 WeakPolarHBondContact O-CG1 3.37Å; L338-I342 PolarHBondContact O-N 2.81Å
339L55.9Low54.7Low96 Ų96102 Ų10250%0.50352%0.517SS..Hα-helixtrans-59.9-44.9176.4-109.7144.8000111.4I335 E336 R341 I342 I343I335-L339 HydrophobicContact CG2-CD1 4.3Å; I335-L339 PolarHBondContact O-N 2.85Å; E336-L339 PolarHBondContact O-N 2.86Å; L339-R341 PolarHBondContact O-N 3.32Å; L339-I342 PolarHBondContact O-N 3.34Å; L339-I343 HydrophobicContact CD2-CD1 4.06Å; L339-I343 WeakPolarHBondContact O-CB 3.39Å; L339-I343 VanDerWaalsContact O-CG1 3.28Å; L339-I343 WeakPolarHBondContact O-CG1 3.08Å; L339-I343 PolarHBondContact O-N 3.45Å
340S53.3Low54.7Low23 Ų23106.4 Ų106.416%0.16153%0.533CS..Hα-helixtrans-57.7-47.5172.9175.40000111.3F329 E336 L338 I342 I343 N344F329-S340 WeakPolarHBondContact CZ-OG 3.1Å; E336-S340 VanDerWaalsContact O-CB 3.28Å; E336-S340 WeakPolarHBondContact O-CB 3.37Å; E336-S340 PolarHBondContact O-N 3.36Å; L338-S340 VanDerWaalsContact C-N 3.35Å; L338-S340 PolarHBondContact O-N 3.47Å; S340-I342 VanDerWaalsContact C-N 3.34Å; S340-I342 PolarHBondContact O-N 3.4Å; S340-I343 PolarHBondContact O-N 2.76Å; S340-N344 WeakPolarHBondContact O-CB 3.36Å; S340-N344 PolarHBondContact O-N 2.97Å; S340-N344 PolarHBondContact O-ND2 2.78Å; S340-N344 PolarHBondContact OG-ND2 2.75Å
341R57.6Low54.3Low169 Ų169104.2 Ų104.264%0.63851%0.51SS*.Hα-helixtrans-60.7-38.8176.9-73.5173.370.8176.13.3113.1L337 L338 L339 A345L337-R341 VanDerWaalsContact O-CG 3.26Å; L337-R341 WeakPolarHBondContact O-CG 3.35Å; L337-R341 PolarHBondContact O-N 3.4Å; L338-R341 PolarHBondContact O-N 3.37Å; L339-R341 PolarHBondContact O-N 3.32Å; R341-A345 WeakPolarHBondContact O-CB 3.32Å; R341-A345 PolarHBondContact O-N 3.23Å
342I64.1Low53.8Low104 Ų10499.6 Ų99.653%0.53349%0.494SS..Hα-helixtrans-70.8-47.6178.7-67.1165.2000110.8L338 L339 S340 N344 A345 A346L338-I342 HydrophobicContact CD2-CD1 4.32Å; L338-I342 HydrophobicContact CG-CD1 4.23Å; L338-I342 WeakPolarHBondContact O-CG1 3.37Å; L338-I342 PolarHBondContact O-N 2.81Å; L339-I342 PolarHBondContact O-N 3.34Å; S340-I342 VanDerWaalsContact C-N 3.34Å; S340-I342 PolarHBondContact O-N 3.4Å; I342-N344 VanDerWaalsContact C-N 3.26Å; I342-N344 PolarHBondContact O-N 2.83Å; I342-A345 PolarHBondContact O-N 2.83Å; I342-A346 WeakPolarHBondContact O-CB 3.41Å; I342-A346 PolarHBondContact O-N 2.83Å
343I59.1Low53.4Low87 Ų87102 Ų10245%0.44651%0.513SS..Hα-helixtrans-59.5-41.2175.8-69.2166.8000109.8L339 S340 A346 L347L339-I343 HydrophobicContact CD2-CD1 4.06Å; L339-I343 WeakPolarHBondContact O-CB 3.39Å; L339-I343 VanDerWaalsContact O-CG1 3.28Å; L339-I343 WeakPolarHBondContact O-CG1 3.08Å; L339-I343 PolarHBondContact O-N 3.45Å; S340-I343 PolarHBondContact O-N 2.76Å; I343-A346 PolarHBondContact O-N 2.86Å; I343-L347 HydrophobicContact CG2-CD1 3.76Å; I343-L347 VanDerWaalsContact O-CB 3.31Å; I343-L347 WeakPolarHBondContact O-CB 3.34Å; I343-L347 PolarHBondContact O-N 2.88Å
344N52.2Low52.2Low32 Ų3298.1 Ų98.117%0.17150%0.496CS..Hα-helixtrans-66.2-43.3175.7-70.9-27.9000112.3S340 I342 A346 L347 I348S340-N344 WeakPolarHBondContact O-CB 3.36Å; S340-N344 PolarHBondContact O-N 2.97Å; S340-N344 PolarHBondContact O-ND2 2.78Å; S340-N344 PolarHBondContact OG-ND2 2.75Å; I342-N344 VanDerWaalsContact C-N 3.26Å; I342-N344 PolarHBondContact O-N 2.83Å; N344-A346 VanDerWaalsContact C-N 3.27Å; N344-A346 PolarHBondContact O-N 2.78Å; N344-L347 PolarHBondContact O-N 2.8Å; N344-I348 VanDerWaalsContact O-CB 3.27Å; N344-I348 WeakPolarHBondContact O-CB 3.46Å; N344-I348 WeakPolarHBondContact O-CG1 3.39Å; N344-I348 PolarHBondContact O-N 3.36Å
345A55.2Low51Low56 Ų5696 Ų9646%0.46348%0.483SS..Hα-helixtrans-63.7-37175.400000111.5R341 I342 R349R341-A345 WeakPolarHBondContact O-CB 3.32Å; R341-A345 PolarHBondContact O-N 3.23Å; I342-A345 PolarHBondContact O-N 2.83Å; A345-R349 WeakPolarHBondContact O-CB 3.29Å; A345-R349 PolarHBondContact O-N 2.92Å
346A54.2Low50.4Low59 Ų5993.3 Ų93.349%0.48847%0.467SS..Hα-helixtrans-69.1-43.4174.900000111.9I342 I343 N344 R349 Y350I342-A346 WeakPolarHBondContact O-CB 3.41Å; I342-A346 PolarHBondContact O-N 2.83Å; I343-A346 PolarHBondContact O-N 2.86Å; N344-A346 VanDerWaalsContact C-N 3.27Å; N344-A346 PolarHBondContact O-N 2.78Å; A346-R349 PolarHBondContact O-N 2.81Å; A346-Y350 WeakPolarHBondContact O-CB 3.43Å; A346-Y350 PolarHBondContact O-N 3.47Å
347L49.2Very low49.7Very low65 Ų6590.6 Ų90.634%0.3446%0.456SS..Hα-helixtrans-68.9-43.2176.8-93.5159.3000111.9F321 I343 N344 R349 Y350 I351F321-L347 HydrophobicContact CE1-CD1 4.37Å; F321-L347 HydrophobicContact CZ-CD1 4.31Å; I343-L347 HydrophobicContact CG2-CD1 3.76Å; I343-L347 VanDerWaalsContact O-CB 3.31Å; I343-L347 WeakPolarHBondContact O-CB 3.34Å; I343-L347 PolarHBondContact O-N 2.88Å; N344-L347 PolarHBondContact O-N 2.8Å; L347-R349 VanDerWaalsContact C-N 3.31Å; L347-R349 PolarHBondContact O-N 2.91Å; L347-Y350 CarbonylContact O-C 3.49Å; L347-Y350 PolarHBondContact O-N 3.1Å; L347-Y350 VanDerWaalsContact O-N 3.12Å; L347-I351 VanDerWaalsContact O-CB 3.32Å; L347-I351 WeakPolarHBondContact O-CB 3.5Å; L347-I351 WeakPolarHBondContact O-CG1 3.42Å; L347-I351 PolarHBondContact O-N 2.85Å
348I50.6Low48.8Very low108 Ų10887.6 Ų87.655%0.55444%0.44SS*.Hα-helixtrans-61.5-42.7173.3-69.9166.1000109.4N344 I351 N352N344-I348 VanDerWaalsContact O-CB 3.27Å; N344-I348 WeakPolarHBondContact O-CB 3.46Å; N344-I348 WeakPolarHBondContact O-CG1 3.39Å; N344-I348 PolarHBondContact O-N 3.36Å; I348-I351 PolarHBondContact O-N 3.38Å; I348-N352 VanDerWaalsContact O-CB 3.3Å; I348-N352 WeakPolarHBondContact O-CB 3.18Å; I348-N352 PolarHBondContact O-N 2.74Å
349R46.8Very low47.8Very low199 Ų19985.9 Ų85.975%0.75143%0.429SS*.Hα-helixtrans-60.5-45171.6-94-178.4173.1169.4-1111.5A345 A346 L347 I351 N352 V353A345-R349 WeakPolarHBondContact O-CB 3.29Å; A345-R349 PolarHBondContact O-N 2.92Å; A346-R349 PolarHBondContact O-N 2.81Å; L347-R349 VanDerWaalsContact C-N 3.31Å; L347-R349 PolarHBondContact O-N 2.91Å; R349-I351 VanDerWaalsContact C-N 3.34Å; R349-I351 PolarHBondContact O-N 2.77Å; R349-N352 PolarHBondContact O-N 2.91Å; R349-V353 WeakPolarHBondContact O-CB 3.28Å; R349-V353 WeakPolarHBondContact O-CG2 3.47Å; R349-V353 PolarHBondContact O-N 2.85Å
350Y43.4Very low46.9Very low170 Ų17081.3 Ų81.367%0.66741%0.405SS*.Hα-helixtrans-63.6-40.7178.8-164-93.3000111.5A346 L347 V353 S354A346-Y350 WeakPolarHBondContact O-CB 3.43Å; A346-Y350 PolarHBondContact O-N 3.47Å; L347-Y350 CarbonylContact O-C 3.49Å; L347-Y350 PolarHBondContact O-N 3.1Å; L347-Y350 VanDerWaalsContact O-N 3.12Å; Y350-V353 CarbonylContact O-C 3.4Å; Y350-V353 PolarHBondContact O-N 2.96Å; Y350-S354 VanDerWaalsContact O-CB 3.26Å; Y350-S354 WeakPolarHBondContact O-CB 3.2Å; Y350-S354 PolarHBondContact O-N 3.37Å
351I43.5Very low46Very low35 Ų3583.8 Ų83.818%0.17941%0.411CS..Hα-helixtrans-69.9-39.9177.3-68.1164.3000111L317 L347 I348 R349 V353 S354L317-I351 HydrophobicContact CD1-CD1 4.26Å; L317-I351 HydrophobicContact CD1-CG1 4.39Å; L317-I351 HydrophobicContact CD1-CG2 4.43Å; L347-I351 VanDerWaalsContact O-CB 3.32Å; L347-I351 WeakPolarHBondContact O-CB 3.5Å; L347-I351 WeakPolarHBondContact O-CG1 3.42Å; L347-I351 PolarHBondContact O-N 2.85Å; I348-I351 PolarHBondContact O-N 3.38Å; R349-I351 VanDerWaalsContact C-N 3.34Å; R349-I351 PolarHBondContact O-N 2.77Å; I351-V353 PolarHBondContact O-N 3.33Å; I351-S354 WeakPolarHBondContact CA-OG 3.16Å; I351-S354 CarbonylContact O-C 3.23Å; I351-S354 PolarHBondContact O-N 3.48Å; I351-S354 PolarHBondContact O-OG 3.25Å
352N42.2Very low45Very low104 Ų10475.9 Ų75.956%0.55638%0.381SS*.Hα-helixtrans-65-25.7173.4-125.7-11.4000111.8I348 R349I348-N352 VanDerWaalsContact O-CB 3.3Å; I348-N352 WeakPolarHBondContact O-CB 3.18Å; I348-N352 PolarHBondContact O-N 2.74Å; R349-N352 PolarHBondContact O-N 2.91Å
353V42.5Very low43.6Very low122 Ų12272.5 Ų72.574%0.73937%0.367SS*.Hα-helixtrans-87.3-24.1171.9-179.30000111R349 Y350 I351 K355R349-V353 WeakPolarHBondContact O-CB 3.28Å; R349-V353 WeakPolarHBondContact O-CG2 3.47Å; R349-V353 PolarHBondContact O-N 2.85Å; Y350-V353 CarbonylContact O-C 3.4Å; Y350-V353 PolarHBondContact O-N 2.96Å; I351-V353 PolarHBondContact O-N 3.33Å; V353-K355 PolarHBondContact O-N 3.44Å
354S37.8Very low42.6Very low47 Ų4768.4 Ų68.433%0.32935%0.346SS..SBendtrans-87.598.6-179.288.10000111.4Y350 I351Y350-S354 VanDerWaalsContact O-CB 3.26Å; Y350-S354 WeakPolarHBondContact O-CB 3.2Å; Y350-S354 PolarHBondContact O-N 3.37Å; I351-S354 WeakPolarHBondContact CA-OG 3.16Å; I351-S354 CarbonylContact O-C 3.23Å; I351-S354 PolarHBondContact O-N 3.48Å; I351-S354 PolarHBondContact O-OG 3.25Å
355K38.5Very low41.8Very low128 Ų12874.2 Ų74.256%0.55737%0.366SS*.  trans12.1110.7148.6-60.9-177.1175.3-170.10115.6V353 L357V353-K355 PolarHBondContact O-N 3.44Å; K355-L357 PolarHBondContact O-N 2.85Å
356F41Very low40.9Very low76 Ų7673.2 Ų73.233%0.33335%0.352SS..  trans-62130.3169.2-60.8-83.4000109.9L246 R314L246-F356 HydrophobicContact CB-CB 4.45Å; L246-F356 PolarHBondContact N-O 3.08Å; R314-F356 HydrophobicContact CB-CD1 4.2Å; R314-F356 HydrophobicContact CB-CE1 4.33Å; R314-F356 HydrophobicContact CG-CD1 4.42Å; R314-F356 HydrophobicContact CG-CE1 4.05Å
357L39.3Very low39.7Very low47 Ų4772.5 Ų72.525%0.24635%0.35CS..EExtended strand (participates in β ladder)trans-113132176.7-60.4172.3000108.8M243 Q245 V313 K355M243-L357 HydrophobicContact CG-CB 4.27Å; M243-L357 HydrophobicContact CG-CD1 4.5Å; M243-L357 HydrophobicContact CG-CD2 3.68Å; M243-L357 HydrophobicContact CG-CG 4.35Å; M243-L357 HydrophobicContact SD-CD1 3.72Å; M243-L357 HydrophobicContact SD-CD2 3.7Å; M243-L357 HydrophobicContact SD-CG 4.17Å; Q245-L357 HydrophobicContact CG-CD2 4.42Å; V313-L357 HydrophobicContact CB-CB 4.08Å; V313-L357 WeakPolarHBondContact CB-O 3.34Å; V313-L357 HydrophobicContact CG2-CB 3.74Å; V313-L357 WeakPolarHBondContact CG2-O 3.31Å; V313-L357 PolarHBondContact N-O 2.94Å; K355-L357 PolarHBondContact O-N 2.85Å
358T38.9Very low38.9Very low9 Ų976.3 Ų76.36%0.05537%0.371CS..EExtended strand (participates in β ladder)trans-121.6123.6178.9-57.90000108.6L246 L280 V310 V360L246-T358 WeakPolarHBondContact CD1-OG1 3.37Å; L280-T358 HydrophobicContact CD2-CG2 4.17Å; V310-T358 HydrophobicContact CG1-CG2 3.31Å; T358-V360 HydrophobicContact CG2-CG2 4.28Å
359F38.3Very low38.1Very low68 Ų6875.4 Ų75.430%0.29837%0.367SS..EExtended strand (participates in β ladder)trans-93.3150.8169.4-66-84.3000110.8F242 M243 V310 C311 V313F242-F359 WeakPolarHBondContact O-CA 3.49Å; M243-F359 HydrophobicContact CB-CE1 4.37Å; V310-F359 CarbonylContact C-O 3.57Å; V310-F359 WeakPolarHBondContact CA-O 3.46Å; C311-F359 HydrophobicContact CB-CB 4.2Å; C311-F359 PolarHBondContact N-O 3.4Å; C311-F359 PolarHBondContact O-N 2.8Å; C311-F359 VanDerWaalsContact O-N 3.09Å; V313-F359 HydrophobicContact CG2-CD2 3.86Å; V313-F359 HydrophobicContact CG2-CE2 3.48Å; V313-F359 VanDerWaalsContact CG2-CE2 3.48Å
360V37.9Very low37.2Very low0 Ų070 Ų700%036%0.364CS..EExtended strand (participates in β ladder)trans-141.4111-169.8-173.60000108.8F244 L253 F255 V308 E309 T358 F362F244-V360 HydrophobicContact CD2-CG2 4.34Å; F244-V360 HydrophobicContact CE2-CG2 4.33Å; L253-V360 HydrophobicContact CD2-CG2 4.39Å; F255-V360 HydrophobicContact CE1-CG1 3.8Å; F255-V360 HydrophobicContact CZ-CG1 4.22Å; V308-V360 HydrophobicContact CG1-CB 4.37Å; V308-V360 HydrophobicContact CG1-CG1 3.13Å; E309-V360 CarbonylContact O-C 3.51Å; E309-V360 WeakPolarHBondContact O-CA 3.39Å; T358-V360 HydrophobicContact CG2-CG2 4.28Å; V360-F362 HydrophobicContact CB-CE2 4.39Å; V360-F362 HydrophobicContact CB-CZ 4.22Å; V360-F362 HydrophobicContact CG1-CE1 3.77Å; V360-F362 HydrophobicContact CG1-CE2 3.78Å; V360-F362 HydrophobicContact CG1-CZ 3.23Å
361Y33.8Very low36.4Very low74 Ų7471.4 Ų71.429%0.2937%0.374SS..EExtended strand (participates in β ladder)trans-97.4164.7172.5-64.5-111000111.4Q241 V308 E309Q241-Y361 HydrophobicContact CG-CE1 4.36Å; Q241-Y361 VanDerWaalsContact NE2-CZ 3.3Å; Q241-Y361 PolarHBondContact NE2-OH 3.27Å; V308-Y361 CarbonylContact C-O 3.36Å; V308-Y361 WeakPolarHBondContact CA-O 3.46Å; E309-Y361 HydrophobicContact CB-CD2 3.58Å; E309-Y361 HydrophobicContact CB-CG 3.82Å; E309-Y361 HydrophobicContact CG-CD2 4.01Å; E309-Y361 PolarHBondContact N-O 2.88Å; E309-Y361 PolarHBondContact O-N 2.85Å; E309-Y361 WeakPolarHBondContact OE2-CD2 3.42Å
362F37.7Very low35.6Very low3 Ų377.6 Ų77.61%0.01341%0.408CS..EExtended strand (participates in β ladder)trans-135.9136.1-179.8-58.1-82.3000115.2V217 T228 F237 W238 F242 F255 I306 F307 V308 V360V217-F362 HydrophobicContact CB-CZ 4.47Å; V217-F362 HydrophobicContact CG1-CZ 4.33Å; V217-F362 HydrophobicContact CG2-CE1 4.23Å; V217-F362 HydrophobicContact CG2-CE2 3.82Å; V217-F362 HydrophobicContact CG2-CZ 3.34Å; T228-F362 HydrophobicContact CG2-CD2 3.99Å; T228-F362 HydrophobicContact CG2-CE2 4.25Å; F237-F362 WeakPolarHBondContact CD2-O 3.49Å; W238-F362 HydrophobicContact CB-CB 4.41Å; W238-F362 HydrophobicContact CE3-CB 3.62Å; W238-F362 HydrophobicContact CZ3-CB 4.27Å; W238-F362 PolarHBondContact N-O 2.96Å; F242-F362 HydrophobicContact CD2-CE2 4.08Å; F242-F362 HydrophobicContact CE2-CE2 4.04Å; F255-F362 AromaticContact CD1-CE1 3.41Å; F255-F362 HydrophobicContact CD1-CE1 3.41Å; F255-F362 VanDerWaalsContact CD1-CE1 3.41Å; F255-F362 AromaticContact CD1-CZ 3.79Å; F255-F362 HydrophobicContact CD1-CZ 3.79Å; F255-F362 AromaticContact CE1-CE1 3.48Å; F255-F362 HydrophobicContact CE1-CE1 3.48Å; F255-F362 VanDerWaalsContact CE1-CE1 3.48Å; F255-F362 AromaticContact CE1-CZ 3.67Å; F255-F362 HydrophobicContact CE1-CZ 3.67Å; F255-F362 HydrophobicContact CG-CE1 4.38Å; F255-F362 HydrophobicContact CZ-CE1 4.48Å; I306-F362 HydrophobicContact CD1-CD1 3.5Å; I306-F362 VanDerWaalsContact CD1-CD1 3.5Å; I306-F362 HydrophobicContact CD1-CE1 3.88Å; I306-F362 HydrophobicContact CG1-CD1 3.83Å; F307-F362 CarbonylContact O-C 3.53Å; F307-F362 WeakPolarHBondContact O-CA 3.34Å; V308-F362 HydrophobicContact CB-CE1 4.49Å; V308-F362 HydrophobicContact CG1-CD1 4.42Å; V308-F362 HydrophobicContact CG1-CE1 4.01Å; V308-F362 HydrophobicContact CG2-CD1 3.76Å; V308-F362 HydrophobicContact CG2-CE1 3.74Å; V360-F362 HydrophobicContact CB-CE2 4.39Å; V360-F362 HydrophobicContact CB-CZ 4.22Å; V360-F362 HydrophobicContact CG1-CE1 3.77Å; V360-F362 HydrophobicContact CG1-CE2 3.78Å; V360-F362 HydrophobicContact CG1-CZ 3.23Å
363S33Very low35Very low34 Ų3476.9 Ų76.924%0.23842%0.416CS..EExtended strand (participates in β ladder)trans-130.4138.3159158.50000107.8I306 F307I306-S363 CarbonylContact C-O 3.48Å; F307-S363 WeakPolarHBondContact CA-O 3.35Å; F307-S363 WeakPolarHBondContact CB-O 3.45Å; F307-S363 VanDerWaalsContact CD2-O 3.24Å; F307-S363 WeakPolarHBondContact CD2-O 3.21Å; F307-S363 PolarHBondContact N-O 3.04Å; F307-S363 PolarHBondContact O-N 2.8Å
364L37.8Very low34.1Very low0 Ų078.7 Ų78.70%042%0.421CS..EExtended strand (participates in β ladder)trans-130126.8-179.9173.4103.9000110.9D235 P236 W238 V257 L292 K305 I306 I366D235-L364 WeakPolarHBondContact CA-O 3.45Å; P236-L364 VanDerWaalsContact CD-O 3.25Å; P236-L364 WeakPolarHBondContact CD-O 3.4Å; P236-L364 HydrophobicContact CG-CB 3.99Å; P236-L364 HydrophobicContact CG-CD2 3.54Å; P236-L364 HydrophobicContact CG-CG 4.29Å; P236-L364 PolarHBondContact O-N 3.38Å; W238-L364 HydrophobicContact CH2-CB 3.91Å; W238-L364 HydrophobicContact CH2-CD2 3.88Å; W238-L364 HydrophobicContact CH2-CG 4.4Å; W238-L364 HydrophobicContact CZ3-CB 3.55Å; W238-L364 HydrophobicContact CZ3-CD2 4.41Å; W238-L364 HydrophobicContact CZ3-CG 4.46Å; V257-L364 HydrophobicContact CG1-CD1 4.44Å; V257-L364 HydrophobicContact CG1-CD2 4Å; V257-L364 HydrophobicContact CG2-CD1 4.12Å; L292-L364 HydrophobicContact CD1-CD1 3.63Å; L292-L364 HydrophobicContact CG-CD1 4.33Å; K305-L364 WeakPolarHBondContact O-CA 3.18Å; K305-L364 WeakPolarHBondContact O-CD1 2.91Å; I306-L364 HydrophobicContact CB-CD1 3.87Å; I306-L364 HydrophobicContact CG1-CD1 4.29Å; L364-I366 HydrophobicContact CD2-CD1 3.49Å; L364-I366 VanDerWaalsContact CD2-CD1 3.49Å; L364-I366 HydrophobicContact CD2-CG1 3.58Å; L364-I366 HydrophobicContact CG-CD1 4.45Å; L364-I366 HydrophobicContact CG-CG1 4.05Å
365R35.4Very low33.3Very low154 Ų15482 Ų8258%0.58144%0.444SS*.EExtended strand (participates in β ladder)trans-106.1111169.7-71.8-176.4-172-129.70.2109.4D235 G304 K305 F307D235-R365 VanDerWaalsContact OD1-CG 3.24Å; D235-R365 WeakPolarHBondContact OD1-CG 3.05Å; G304-R365 WeakPolarHBondContact CA-O 3.38Å; K305-R365 PolarHBondContact N-O 3.05Å; K305-R365 PolarHBondContact O-N 2.9Å; K305-R365 VanDerWaalsContact O-N 3.07Å; F307-R365 HydrophobicContact CE2-CB 4.42Å; F307-R365 HydrophobicContact CE2-CG 4.16Å
366I38.2Very low32.6Very low36 Ų3684.7 Ų84.719%0.18545%0.452CS..  trans-100.194.7165.2-63.6172.8000107.3L270 L364 L369L270-I366 HydrophobicContact CB-CD1 4.31Å; L270-I366 HydrophobicContact CD1-CD1 3.73Å; L270-I366 HydrophobicContact CG-CD1 4.45Å; L364-I366 HydrophobicContact CD2-CD1 3.49Å; L364-I366 VanDerWaalsContact CD2-CD1 3.49Å; L364-I366 HydrophobicContact CD2-CG1 3.58Å; L364-I366 HydrophobicContact CG-CD1 4.45Å; L364-I366 HydrophobicContact CG-CG1 4.05Å; I366-L369 HydrophobicContact CG2-CB 4.21Å; I366-L369 HydrophobicContact CG2-CD1 4.4Å
367G28.7Very low31.7Very low43 Ų4386.2 Ų86.244%0.44347%0.472SS..  trans-90140.2159.900000109.1S303S303-G367 PolarHBondContact OG-O 3.07Å
368D31.7Very low30.9Very low146 Ų14690.9 Ų90.978%0.78149%0.493SS*.  trans61.857.9170.1-54.2-37000115.5S303 A370S303-D368 PolarHBondContact OG-O 2.86Å; D368-A370 PolarHBondContact O-N 2.88Å
369L33.6Very low29.9Very low88 Ų8895.8 Ų95.846%0.46153%0.527SS..  trans-7076.1160.3-158.977.7000108.4L270 I366 K371L270-L369 HydrophobicContact CD2-CD1 4.48Å; I366-L369 HydrophobicContact CG2-CB 4.21Å; I366-L369 HydrophobicContact CG2-CD1 4.4Å; L369-K371 PolarHBondContact O-N 3.32Å
370A27.7Very low29.3Very low85 Ų85101.3 Ų101.370%0.70255%0.554SS**  trans-67.1112.8174.100000108.3D368 N372D368-A370 PolarHBondContact O-N 2.88Å; A370-N372 PolarHBondContact O-N 3.1Å
371K27.4Very low28.4Very low201 Ų201108.4 Ų108.487%0.87460%0.597SS**  trans-33.9125.7167.1-66171.9175.8174.20111.3L369L369-K371 PolarHBondContact O-N 3.32Å
372N27.2Very low27.9Very low164 Ų164109.6 Ų109.688%0.87762%0.616SS**  trans-164.5147.6148.3-100.2-19000113.1A370A370-N372 PolarHBondContact O-N 3.1Å
373A28.3Very low27.4Very low89 Ų89116.6 Ų116.674%0.73666%0.659SS**  trans74.289.317400000115.8
374L24Very low27.1Very low160 Ų160119.1 Ų119.184%0.83868%0.682SS**  54.7111.378.3-71.4159.2000114.1
375S21.8Very low26.7Very low116 Ų116122.6 Ų122.681%0.81171%0.707SS**  trans49.598.7148.564.20000117.7
376Y23.1Very low26.9Very low185 Ų185119.9 Ų119.973%0.72570%0.704SS**  trans-122.6117.2145.8-162.4-114.7000108.9E378Y376-E378 HydrophobicContact CD1-CB 4.4Å; Y376-E378 HydrophobicContact CD1-CG 4.11Å; Y376-E378 HydrophobicContact CE1-CB 4.31Å; Y376-E378 VanDerWaalsContact CE1-CD 3.4Å; Y376-E378 HydrophobicContact CE1-CG 3.54Å; Y376-E378 WeakPolarHBondContact CE1-OE1 3.4Å
377S21Very low27.3Very low109 Ų109124.9 Ų124.976%0.76273%0.726SS**  trans-82.3117.617052.10000108.1
378E23.5Very low27.9Very low145 Ų145126 Ų12668%0.67873%0.727SS**  trans-130.7104.8162.2-108.9178.7-179.900108.7Y376Y376-E378 HydrophobicContact CD1-CB 4.4Å; Y376-E378 HydrophobicContact CD1-CG 4.11Å; Y376-E378 HydrophobicContact CE1-CB 4.31Å; Y376-E378 VanDerWaalsContact CE1-CD 3.4Å; Y376-E378 HydrophobicContact CE1-CG 3.54Å; Y376-E378 WeakPolarHBondContact CE1-OE1 3.4Å
379S18.5Very low28.7Very low111 Ų111119.5 Ų119.578%0.77669%0.692SS**  trans-73.7120.6150.348.60000107.6
380E24Very low29.4Very low185 Ų185117.8 Ų117.886%0.86468%0.68SS**  trans-165.1102.5144.7-108.9174.8-147.100109.7S382E380-S382 PolarHBondContact O-N 2.94Å
381T20.3Very low30.7Very low148 Ų148121 Ų12191%0.90868%0.681SS**  trans-77.2106.9164.549.30000108.2
382S23.3Very low32.5Very low99 Ų99115.7 Ų115.769%0.69266%0.659SS**  trans-124.8118.7159.964.30000109.6E380 A384E380-S382 PolarHBondContact O-N 2.94Å; S382-A384 VanDerWaalsContact C-N 3.29Å; S382-A384 PolarHBondContact O-N 3.47Å
383V26Very low34.6Very low150 Ų150108.5 Ų108.591%0.90962%0.621SS**  trans-70.389175.2177.80000106.8S385V383-S385 PolarHBondContact O-N 3.36Å
384A26.7Very low36.9Very low87 Ų87107.9 Ų107.972%0.71961%0.608SS**  trans-61.9127.6178.900000110.4S382S382-A384 VanDerWaalsContact C-N 3.29Å; S382-A384 PolarHBondContact O-N 3.47Å
385S31.2Very low39.6Very low74 Ų74100.5 Ų100.552%0.51757%0.569SS.*  trans-70.7156.8-173.1520000112.9V383 E387 S388V383-S385 PolarHBondContact O-N 3.36Å; S385-E387 PolarHBondContact O-N 2.89Å; S385-S388 PolarHBondContact O-N 3.22Å; S385-S388 PolarHBondContact O-OG 2.91Å
386D38.7Very low42.5Very low97 Ų9795 Ų9552%0.51953%0.531SS..G310 helixtrans-57.7-4176.5-121.95000113.5L389D386-L389 PolarHBondContact O-N 3.4Å
387E46.3Very low45.5Very low141 Ų14186.2 Ų86.266%0.65950%0.497SS*.G310 helixtrans-68.2-30.2179.1-77.9-161.9143.500113.1S385 L389S385-E387 PolarHBondContact O-N 2.89Å; E387-L389 PolarHBondContact O-N 3.5Å
388S41.1Very low48.8Very low65 Ų6582 Ų8246%0.45547%0.465SS..G310 helixtrans-72.3-10.6179.859.30000114S385 Y390S385-S388 PolarHBondContact O-N 3.22Å; S385-S388 PolarHBondContact O-OG 2.91Å; S388-Y390 VanDerWaalsContact C-N 3.35Å; S388-Y390 PolarHBondContact O-N 3.22Å
389L48.6Very low51.8Low11 Ų1175.4 Ų75.46%0.05843%0.434CS..G310 helixtrans-69.8-28.9-176.3-115.488.7000113.9D386 E387 S393 Y465 K476D386-L389 PolarHBondContact O-N 3.4Å; E387-L389 PolarHBondContact O-N 3.5Å; L389-S393 PolarHBondContact O-OG 3.5Å; L389-Y465 HydrophobicContact CD2-CE2 3.83Å; L389-Y465 VanDerWaalsContact CD2-OH 3.28Å; L389-Y465 WeakPolarHBondContact CD2-OH 3.3Å; L389-K476 HydrophobicContact CD1-CB 4.45Å; L389-K476 HydrophobicContact CD2-CB 4.13Å
390Y49.7Very low54.9Low51 Ų5176.7 Ų76.720%0.243%0.428CS..G310 helixtrans-85.3-12.1-174.1-56.2-68.3000113.5S388 H392 L395 K429 H431S388-Y390 VanDerWaalsContact C-N 3.35Å; S388-Y390 PolarHBondContact O-N 3.22Å; Y390-H392 VanDerWaalsContact C-N 3.28Å; Y390-H392 PolarHBondContact O-N 2.84Å; Y390-L395 HydrophobicContact CD1-CB 4.08Å; Y390-L395 HydrophobicContact CD1-CD1 4.36Å; Y390-L395 HydrophobicContact CD1-CD2 3.8Å; Y390-L395 HydrophobicContact CD1-CG 4.29Å; Y390-L395 HydrophobicContact CE1-CB 4.45Å; Y390-L395 HydrophobicContact CE1-CD1 3.93Å; Y390-L395 HydrophobicContact CE1-CD2 3.52Å; Y390-L395 HydrophobicContact CE1-CG 4.16Å; Y390-K429 PolarHBondContact OH-NZ 2.93Å; Y390-H431 AromaticContact CD1-CE1 3.75Å; Y390-H431 AromaticContact CE1-CE1 3.49Å; Y390-H431 VanDerWaalsContact CE1-CE1 3.49Å; Y390-H431 WeakPolarHBondContact CE1-CE1 3.47Å
391Q55.1Low57.6Low154 Ų15469.9 Ų69.972%0.7240%0.396SS*.SBendtrans-75-20.3-174.7-163.2168.1-2.400112.9
392H64.3Low60.2Low89 Ų8973.1 Ų73.141%0.41240%0.398SS..SBendtrans-120.23.8-173.7-53.7-62000114Y390 F433 Y480Y390-H392 VanDerWaalsContact C-N 3.28Å; Y390-H392 PolarHBondContact O-N 2.84Å; H392-F433 WeakPolarHBondContact O-CD2 3.41Å; H392-Y480 VanDerWaalsContact CB-CB 3.47Å; H392-Y480 HydrophobicContact CB-CD1 4.13Å; H392-Y480 HydrophobicContact CB-CD2 3.51Å; H392-Y480 HydrophobicContact CB-CE2 4.25Å; H392-Y480 HydrophobicContact CB-CG 3.44Å; H392-Y480 VanDerWaalsContact CB-CG 3.44Å; H392-Y480 AromaticContact CD2-CD2 3.83Å; H392-Y480 AromaticContact CD2-CE2 3.66Å; H392-Y480 AromaticContact CD2-CZ 3.85Å; H392-Y480 AromaticContact CG-CD2 3.73Å; H392-Y480 AromaticContact CG-CE2 3.99Å
393S71.7Confident62.6Low13 Ų1375.3 Ų75.39%0.09140%0.401CS..SBendtrans-141.1152.717865.40000111.3L389 H431 H479L389-S393 PolarHBondContact O-OG 3.5Å; S393-H431 PolarHBondContact OG-ND1 3.18Å; S393-H479 WeakPolarHBondContact CB-NE2 3.47Å; S393-H479 PolarHBondContact OG-NE2 3.44Å
394V75.3Confident65.1Low75 Ų7574.7 Ų74.746%0.45539%0.389SS..EExtended strand (participates in β ladder)trans-81.3120.3176.2177.90000109.1V396 L409 V432V394-V396 HydrophobicContact CG1-CG2 4.24Å; V394-L409 HydrophobicContact CG1-CD1 3.21Å; V394-V432 HydrophobicContact CB-CB 4.22Å; V394-V432 PolarHBondContact N-O 2.84Å; V394-V432 PolarHBondContact O-N 3.45Å
395L81.9Confident67.8Low5 Ų576.2 Ų76.23%0.02638%0.379CS..EExtended strand (participates in β ladder)trans-86.7122.1176.2178.564000110.8Y390 I397 V410 I424 K429Y390-L395 HydrophobicContact CD1-CB 4.08Å; Y390-L395 HydrophobicContact CD1-CD1 4.36Å; Y390-L395 HydrophobicContact CD1-CD2 3.8Å; Y390-L395 HydrophobicContact CD1-CG 4.29Å; Y390-L395 HydrophobicContact CE1-CB 4.45Å; Y390-L395 HydrophobicContact CE1-CD1 3.93Å; Y390-L395 HydrophobicContact CE1-CD2 3.52Å; Y390-L395 HydrophobicContact CE1-CG 4.16Å; L395-I397 HydrophobicContact CD1-CD1 4Å; L395-I397 HydrophobicContact CD2-CD1 4.23Å; L395-I397 HydrophobicContact CG-CD1 4.09Å; L395-V410 HydrophobicContact CB-CB 4.31Å; L395-V410 HydrophobicContact CD2-CB 3.84Å; L395-V410 HydrophobicContact CD2-CG1 4.01Å; L395-V410 HydrophobicContact CD2-CG2 4.24Å; L395-V410 HydrophobicContact CG-CB 4.12Å; L395-V410 HydrophobicContact CG-CG2 4.49Å; L395-V410 PolarHBondContact O-N 2.89Å; L395-I424 HydrophobicContact CD2-CD1 4.44Å; L395-K429 HydrophobicContact CD1-CB 4.14Å
396V82.5Confident70Confident2 Ų276.2 Ų76.21%0.01237%0.37CS..EExtended strand (participates in β ladder)trans-119.7134.1172.6-177.20000109.6V394 Y407 Y408 L409 L430 V432 I496V394-V396 HydrophobicContact CG1-CG2 4.24Å; V396-Y407 HydrophobicContact CG1-CD1 4.08Å; V396-Y407 HydrophobicContact CG1-CG 4.46Å; V396-Y408 CarbonylContact C-O 3.59Å; V396-Y408 WeakPolarHBondContact CA-O 3.31Å; V396-L409 HydrophobicContact CG2-CD1 4.24Å; V396-L430 HydrophobicContact CB-CB 4.27Å; V396-L430 PolarHBondContact N-O 2.71Å; V396-L430 WeakPolarHBondContact O-CA 3.33Å; V396-L430 WeakPolarHBondContact O-CB 3.43Å; V396-L430 PolarHBondContact O-N 3.38Å; V396-V432 HydrophobicContact CG2-CG2 4.17Å; V396-I496 HydrophobicContact CG1-CD1 4.4Å; V396-I496 HydrophobicContact CG2-CD1 4.14Å
397I86.3Confident72Confident0 Ų072.5 Ų72.50%035%0.349CS..EExtended strand (participates in β ladder)trans-104.1118.3177.6-55.3-57.8000109.5L395 I399 Y407 Y408 V410 L423 I424 K429L395-I397 HydrophobicContact CD1-CD1 4Å; L395-I397 HydrophobicContact CD2-CD1 4.23Å; L395-I397 HydrophobicContact CG-CD1 4.09Å; I397-I399 HydrophobicContact CG2-CD1 4.22Å; I397-I399 HydrophobicContact CG2-CG1 3.96Å; I397-Y407 WeakPolarHBondContact O-CA 3.47Å; I397-Y408 PolarHBondContact N-O 3.16Å; I397-Y408 PolarHBondContact O-N 3.46Å; I397-V410 HydrophobicContact CG1-CG2 3.71Å; I397-L423 HydrophobicContact CG2-CG 4.46Å; I397-I424 HydrophobicContact CD1-CB 4.42Å; I397-I424 HydrophobicContact CD1-CG1 4.05Å; I397-I424 HydrophobicContact CD1-CG2 4.41Å; I397-I424 HydrophobicContact CG1-CG1 4.18Å; I397-K429 HydrophobicContact CD1-CB 4.46Å; I397-K429 HydrophobicContact CD1-CG 4.05Å
398E89.2Confident73.4Confident21 Ų2166.6 Ų66.610%0.09832%0.32CS..EExtended strand (participates in β ladder)trans-91.8121174.4178.418075.800109.7K406 Y407 G427 K428 L430 R468E398-K406 WeakPolarHBondContact CA-O 3.48Å; E398-Y407 HydrophobicContact CB-CD1 3.95Å; E398-Y407 HydrophobicContact CB-CE1 3.67Å; E398-Y407 HydrophobicContact CG-CD1 4.21Å; E398-Y407 HydrophobicContact CG-CE1 3.51Å; E398-Y407 VanDerWaalsContact OE2-CE1 3.27Å; E398-Y407 WeakPolarHBondContact OE2-CE1 3.5Å; E398-Y407 PolarHBondContact OE2-OH 3.31Å; E398-G427 CarbonylContact O-C 3.51Å; E398-G427 WeakPolarHBondContact O-CA 3.2Å; E398-K428 HydrophobicContact CB-CB 4.33Å; E398-K428 PolarHBondContact N-O 3.45Å; E398-K428 PolarHBondContact O-N 2.85Å; E398-K428 WeakPolarHBondContact OE1-CD 3.35Å; E398-L430 HydrophobicContact CB-CD1 3.96Å; E398-L430 HydrophobicContact CB-CG 4.22Å; E398-R468 VanDerWaalsContact CD-NH1 3.32Å; E398-R468 IonicContact OE1-NH1 3.3Å; E398-R468 PolarHBondContact OE1-NH1 2.88Å; E398-R468 IonicContact OE1-NH2 3.97Å; E398-R468 IonicContact OE2-CZ 3.42Å; E398-R468 IonicContact OE2-NH1 2.74Å; E398-R468 PolarHBondContact OE2-NH1 3.08Å; E398-R468 IonicContact OE2-NH2 3.15Å; E398-R468 PolarHBondContact OE2-NH2 3.01Å; E398-R468 VanDerWaalsContact OE2-NH2 3.15Å
399I87Confident75Confident6 Ų666.7 Ų66.73%0.03132%0.316CS..EExtended strand (participates in β ladder)trans-124.4134.5175.8-55.5-175.4000108.8I397 E401 K406 Y408 L423 K426I397-I399 HydrophobicContact CG2-CD1 4.22Å; I397-I399 HydrophobicContact CG2-CG1 3.96Å; I399-E401 HydrophobicContact CG2-CG 3.99Å; I399-K406 PolarHBondContact N-O 2.93Å; I399-K406 PolarHBondContact O-N 3.36Å; I399-Y408 HydrophobicContact CB-CE2 4.28Å; I399-Y408 HydrophobicContact CD1-CD2 4.08Å; I399-Y408 HydrophobicContact CD1-CE2 3.96Å; I399-Y408 HydrophobicContact CG1-CD2 4.28Å; I399-Y408 HydrophobicContact CG1-CE2 4.23Å; I399-L423 HydrophobicContact CD1-CD1 3.31Å; I399-L423 HydrophobicContact CD1-CG 4.09Å; I399-K426 HydrophobicContact CD1-CD 4.41Å
400Q83.4Confident76.1Confident137 Ų13766.8 Ų66.864%0.6432%0.316SS*.EExtended strand (participates in β ladder)trans-91.3113.9172.3-169.6171.2-12.100108.9
401E80.3Confident76.7Confident43 Ų4367 Ų6720%0.20133%0.325CS..EExtended strand (participates in β ladder)trans-124.4125.5175.6-73.3-170.3165.800109.5I399 D403 E404 K406 K426 Y503I399-E401 HydrophobicContact CG2-CG 3.99Å; E401-D403 PolarHBondContact O-N 2.87Å; E401-D403 VanDerWaalsContact O-N 3.13Å; E401-E404 PolarHBondContact N-O 3.28Å; E401-E404 PolarHBondContact O-N 3.31Å; E401-K406 IonicContact OE2-NZ 2.8Å; E401-K406 PolarHBondContact OE2-NZ 3.42Å; E401-K426 IonicContact OE1-NZ 3.57Å; E401-Y503 PolarHBondContact OE1-OH 2.84Å; E401-Y503 VanDerWaalsContact OE1-OH 3.13Å
402K75.1Confident77Confident216 Ų21663.6 Ų63.694%0.93932%0.324SS*.THydrogen-bonded Turntrans47.542.7176.9-58.9-175.5-179.6-1790113.5E404K402-E404 PolarHBondContact O-N 2.97Å
403D74.7Confident77Confident144 Ų14461.4 Ų61.477%0.7733%0.326SS*.THydrogen-bonded Turntrans70.63.1-179.3-134.321000116.9E401E401-D403 PolarHBondContact O-N 2.87Å; E401-D403 VanDerWaalsContact O-N 3.13Å
404E78.2Confident76.8Confident138 Ų13861.5 Ų61.565%0.64533%0.325SS*.EExtended strand (participates in β ladder)trans-103.8144.9170.8-69.3-173.7152.600111.7E401 K402E401-E404 PolarHBondContact N-O 3.28Å; E401-E404 PolarHBondContact O-N 3.31Å; K402-E404 PolarHBondContact O-N 2.97Å
405K82.4Confident76.4Confident118 Ų11859.6 Ų59.651%0.51331%0.312SS..EExtended strand (participates in β ladder)trans-88.8120.2173.6-67-179.6-172.9168.60109.5Y407K405-Y407 HydrophobicContact CB-CE2 3.97Å; K405-Y407 WeakPolarHBondContact CD-OH 3.45Å
406K79.4Confident76Confident74 Ų7466 Ų6632%0.32234%0.34SS..EExtended strand (participates in β ladder)trans-106.3142.4171.6-65.7-175.2-175.1168.80110.4E398 I399 E401 Y408E398-K406 WeakPolarHBondContact CA-O 3.48Å; I399-K406 PolarHBondContact N-O 2.93Å; I399-K406 PolarHBondContact O-N 3.36Å; E401-K406 IonicContact OE2-NZ 2.8Å; E401-K406 PolarHBondContact OE2-NZ 3.42Å; K406-Y408 HydrophobicContact CB-CE2 3.79Å; K406-Y408 WeakPolarHBondContact CD-OH 3.37Å
407Y79.2Confident75.5Confident19 Ų1968.5 Ų68.58%0.07535%0.353CS..EExtended strand (participates in β ladder)trans-119.3127.9-176.9-62.4-76.1000109.9V396 I397 E398 K405 L430 L494 P497V396-Y407 HydrophobicContact CG1-CD1 4.08Å; V396-Y407 HydrophobicContact CG1-CG 4.46Å; I397-Y407 WeakPolarHBondContact O-CA 3.47Å; E398-Y407 HydrophobicContact CB-CD1 3.95Å; E398-Y407 HydrophobicContact CB-CE1 3.67Å; E398-Y407 HydrophobicContact CG-CD1 4.21Å; E398-Y407 HydrophobicContact CG-CE1 3.51Å; E398-Y407 VanDerWaalsContact OE2-CE1 3.27Å; E398-Y407 WeakPolarHBondContact OE2-CE1 3.5Å; E398-Y407 PolarHBondContact OE2-OH 3.31Å; K405-Y407 HydrophobicContact CB-CE2 3.97Å; K405-Y407 WeakPolarHBondContact CD-OH 3.45Å; Y407-L430 HydrophobicContact CD1-CD1 4.15Å; Y407-L430 HydrophobicContact CE1-CD1 3.93Å; Y407-L494 HydrophobicContact CD1-CD2 3.86Å; Y407-L494 HydrophobicContact CD2-CB 4.15Å; Y407-L494 HydrophobicContact CD2-CD2 4.2Å; Y407-L494 HydrophobicContact CE1-CD2 3.42Å; Y407-L494 VanDerWaalsContact CE1-CD2 3.42Å; Y407-L494 HydrophobicContact CE2-CB 4.45Å; Y407-L494 HydrophobicContact CE2-CD2 3.79Å; Y407-L494 HydrophobicContact CG-CB 4.19Å; Y407-L494 HydrophobicContact CG-CD2 4.23Å; Y407-P497 WeakPolarHBondContact O-CD 3.33Å
408Y76.6Confident75Confident17 Ų1773 Ų737%0.06738%0.382CS..EExtended strand (participates in β ladder)trans-121122.3-179.5-59-84.1000110.2V396 I397 I399 K406 L423 L500 Y503V396-Y408 CarbonylContact C-O 3.59Å; V396-Y408 WeakPolarHBondContact CA-O 3.31Å; I397-Y408 PolarHBondContact N-O 3.16Å; I397-Y408 PolarHBondContact O-N 3.46Å; I399-Y408 HydrophobicContact CB-CE2 4.28Å; I399-Y408 HydrophobicContact CD1-CD2 4.08Å; I399-Y408 HydrophobicContact CD1-CE2 3.96Å; I399-Y408 HydrophobicContact CG1-CD2 4.28Å; I399-Y408 HydrophobicContact CG1-CE2 4.23Å; K406-Y408 HydrophobicContact CB-CE2 3.79Å; K406-Y408 WeakPolarHBondContact CD-OH 3.37Å; Y408-L423 HydrophobicContact CD2-CD1 4.13Å; Y408-L423 HydrophobicContact CD2-CD2 4.49Å; Y408-L423 HydrophobicContact CE2-CD1 4.37Å; Y408-L423 HydrophobicContact CG-CD1 4.39Å; Y408-L423 HydrophobicContact CG-CD2 4.08Å; Y408-L500 HydrophobicContact CD1-CD2 3.81Å; Y408-Y503 HydrophobicContact CE1-CD2 4.13Å; Y408-Y503 AromaticContact CE1-CE2 3.88Å; Y408-Y503 HydrophobicContact CE1-CE2 3.88Å; Y408-Y503 AromaticContact CZ-CE2 3.84Å
409L73.7Confident74.4Confident68 Ų6874.7 Ų74.736%0.35640%0.396SS..EExtended strand (participates in β ladder)trans-74.9131174-175.169000109.9V394 V396 I496V394-L409 HydrophobicContact CG1-CD1 3.21Å; V396-L409 HydrophobicContact CG2-CD1 4.24Å; L409-I496 HydrophobicContact CB-CG2 3.99Å
410V72.3Confident73.9Confident12 Ų1274.7 Ų74.77%0.07340%0.396CS..EExtended strand (participates in β ladder)trans-112.9107.8174.1179.40000108.6L395 I397 D415 V420 I424L395-V410 HydrophobicContact CB-CB 4.31Å; L395-V410 HydrophobicContact CD2-CB 3.84Å; L395-V410 HydrophobicContact CD2-CG1 4.01Å; L395-V410 HydrophobicContact CD2-CG2 4.24Å; L395-V410 HydrophobicContact CG-CB 4.12Å; L395-V410 HydrophobicContact CG-CG2 4.49Å; L395-V410 PolarHBondContact O-N 2.89Å; I397-V410 HydrophobicContact CG1-CG2 3.71Å; V410-D415 HydrophobicContact CG1-CB 4.04Å; V410-V420 HydrophobicContact CG1-CG1 3.82Å; V410-V420 HydrophobicContact CG2-CG1 4.21Å; V410-I424 HydrophobicContact CG1-CD1 4.33Å; V410-I424 HydrophobicContact CG2-CG1 4.38Å
411S61.2Low73.8Confident55 Ų5573.3 Ų73.339%0.38539%0.388SS..  trans-71.3147.5175.3-52.80000111.6G413 L414S411-G413 PolarHBondContact O-N 3.26Å; S411-L414 PolarHBondContact O-N 3.34Å; S411-L414 VanDerWaalsContact O-N 3.14Å
412A62.5Low73.9Confident83 Ų8378.8 Ų78.869%0.68641%0.411SS*.THydrogen-bonded Turntrans-55.6130.3175.700000110.9
413G64.1Low74.1Confident44 Ų4469.2 Ų69.245%0.45437%0.37SS..THydrogen-bonded Turntrans96.2-31.5-177.700000113.9S411 D415S411-G413 PolarHBondContact O-N 3.26Å; G413-D415 VanDerWaalsContact C-N 3.29Å; G413-D415 WeakPolarHBondContact CA-OD1 3.48Å; G413-D415 PolarHBondContact N-OD1 2.91Å; G413-D415 PolarHBondContact O-N 2.9Å
414L66.8Low74.6Confident14 Ų1463.3 Ų63.37%0.07334%0.338CS..G310 helixtrans-75.4-19.3177.2-63.5-178.9000112.7S411 K416 L417 V420 V509S411-L414 PolarHBondContact O-N 3.34Å; S411-L414 VanDerWaalsContact O-N 3.14Å; L414-K416 PolarHBondContact O-N 3.4Å; L414-K416 VanDerWaalsContact O-N 3.09Å; L414-L417 HydrophobicContact CB-CD1 4.38Å; L414-L417 HydrophobicContact CD2-CD1 3.78Å; L414-L417 WeakPolarHBondContact O-CB 3.34Å; L414-L417 PolarHBondContact O-N 3.37Å; L414-V420 VanDerWaalsContact O-CB 3.32Å; L414-V420 WeakPolarHBondContact O-CB 3.32Å; L414-V420 WeakPolarHBondContact O-CG2 3.41Å; L414-V509 HydrophobicContact CD2-CG1 3.95Å
415D68.3Low75Confident35 Ų3565.6 Ų65.619%0.18735%0.346CS..G310 helixtrans-60.5-17.2176.165.5-63.2000113.3V410 G413 K421 I424V410-D415 HydrophobicContact CG1-CB 4.04Å; G413-D415 VanDerWaalsContact C-N 3.29Å; G413-D415 WeakPolarHBondContact CA-OD1 3.48Å; G413-D415 PolarHBondContact N-OD1 2.91Å; G413-D415 PolarHBondContact O-N 2.9Å; D415-K421 WeakPolarHBondContact O-CE 3.47Å; D415-K421 WeakPolarHBondContact O-CG 3.45Å; D415-I424 HydrophobicContact CB-CD1 4.05Å
416K73Confident75.2Confident139 Ų13966.4 Ų66.460%0.60435%0.35SS*.G310 helixtrans-76.8-23.1175.2-62.5-173.4-179.7-178.80113.2L414 K421L414-K416 PolarHBondContact O-N 3.4Å; L414-K416 VanDerWaalsContact O-N 3.09Å; K416-K421 WeakPolarHBondContact O-CE 3.39Å
417L71.1Confident75.6Confident56 Ų5663.8 Ų63.829%0.29334%0.343SS..SBendtrans-66.4138.5-177.4-69.2169.4000112.1L414 S419 V420 K421 V509L414-L417 HydrophobicContact CB-CD1 4.38Å; L414-L417 HydrophobicContact CD2-CD1 3.78Å; L414-L417 WeakPolarHBondContact O-CB 3.34Å; L414-L417 PolarHBondContact O-N 3.37Å; L417-S419 PolarHBondContact O-N 2.76Å; L417-V420 HydrophobicContact CB-CB 4.18Å; L417-V420 HydrophobicContact CB-CG2 3.92Å; L417-V420 HydrophobicContact CD1-CG2 4.25Å; L417-V420 PolarHBondContact O-N 2.97Å; L417-K421 WeakPolarHBondContact O-CG 3.27Å; L417-K421 PolarHBondContact O-N 2.85Å; L417-V509 HydrophobicContact CD1-CG1 4.02Å
418P77.4Confident76.1Confident95 Ų9567.3 Ų67.362%0.61736%0.359SS*.Hα-helixtrans-58.7-39.3-178.3-26.234.3000114.8K421 K422P418-K421 PolarHBondContact O-N 2.87Å; P418-K422 WeakPolarHBondContact O-CG 3.41Å; P418-K422 PolarHBondContact O-N 2.88Å
419S75.8Confident76.8Confident56 Ų5670.4 Ų70.439%0.39237%0.373SS..Hα-helixtrans-63.6-45.2176.547.10000111.4L417 K422 L423L417-S419 PolarHBondContact O-N 2.76Å; S419-K422 WeakPolarHBondContact O-CB 3.35Å; S419-K422 PolarHBondContact O-N 2.84Å; S419-L423 PolarHBondContact O-N 2.67Å
420V75.7Confident77.5Confident5 Ų567.2 Ų67.23%0.0336%0.356CS..Hα-helixtrans-67-41177-1770000111V410 L414 L417 K422 L423 I424 I505V410-V420 HydrophobicContact CG1-CG1 3.82Å; V410-V420 HydrophobicContact CG2-CG1 4.21Å; L414-V420 VanDerWaalsContact O-CB 3.32Å; L414-V420 WeakPolarHBondContact O-CB 3.32Å; L414-V420 WeakPolarHBondContact O-CG2 3.41Å; L417-V420 HydrophobicContact CB-CB 4.18Å; L417-V420 HydrophobicContact CB-CG2 3.92Å; L417-V420 HydrophobicContact CD1-CG2 4.25Å; L417-V420 PolarHBondContact O-N 2.97Å; V420-K422 VanDerWaalsContact C-N 3.29Å; V420-K422 PolarHBondContact O-N 3Å; V420-L423 WeakPolarHBondContact O-CB 3.4Å; V420-L423 PolarHBondContact O-N 3.15Å; V420-L423 VanDerWaalsContact O-N 3.11Å; V420-I424 HydrophobicContact CG1-CD1 3.86Å; V420-I424 HydrophobicContact CG1-CG1 4.23Å; V420-I424 VanDerWaalsContact O-CG1 3.28Å; V420-I424 WeakPolarHBondContact O-CG1 2.91Å; V420-I424 PolarHBondContact O-N 3.48Å; V420-I505 HydrophobicContact CG2-CD1 3.9Å
421K81.7Confident78.2Confident109 Ų10966.7 Ų66.747%0.47435%0.353SS..Hα-helixtrans-58.6-38.9172.7-75.5-174.8177.9171.60112.5D415 K416 L417 P418 K425D415-K421 WeakPolarHBondContact O-CE 3.47Å; D415-K421 WeakPolarHBondContact O-CG 3.45Å; K416-K421 WeakPolarHBondContact O-CE 3.39Å; L417-K421 WeakPolarHBondContact O-CG 3.27Å; L417-K421 PolarHBondContact O-N 2.85Å; P418-K421 PolarHBondContact O-N 2.87Å; K421-K425 WeakPolarHBondContact O-CB 3.09Å; K421-K425 VanDerWaalsContact O-CG 3.3Å; K421-K425 WeakPolarHBondContact O-CG 3.11Å; K421-K425 PolarHBondContact O-N 2.84Å; K421-K425 VanDerWaalsContact O-N 3.1Å
422K82.2Confident79Confident158 Ų15865.1 Ų65.169%0.68734%0.341SS*.Hα-helixtrans-64.9-43.8174.1-74.1176.9-177.6178.90111.2P418 S419 V420 K425 K426P418-K422 WeakPolarHBondContact O-CG 3.41Å; P418-K422 PolarHBondContact O-N 2.88Å; S419-K422 WeakPolarHBondContact O-CB 3.35Å; S419-K422 PolarHBondContact O-N 2.84Å; V420-K422 VanDerWaalsContact C-N 3.29Å; V420-K422 PolarHBondContact O-N 3Å; K422-K425 PolarHBondContact O-N 3.44Å; K422-K426 WeakPolarHBondContact O-CB 3.36Å; K422-K426 PolarHBondContact O-N 2.9Å
423L80.1Confident79.8Confident14 Ų1463.7 Ų63.77%0.07332%0.32CS..Hα-helixtrans-59.3-50.3175.9-172.875.9000111.7I397 I399 Y408 S419 V420 K425 K426 G427 Y503I397-L423 HydrophobicContact CG2-CG 4.46Å; I399-L423 HydrophobicContact CD1-CD1 3.31Å; I399-L423 HydrophobicContact CD1-CG 4.09Å; Y408-L423 HydrophobicContact CD2-CD1 4.13Å; Y408-L423 HydrophobicContact CD2-CD2 4.49Å; Y408-L423 HydrophobicContact CE2-CD1 4.37Å; Y408-L423 HydrophobicContact CG-CD1 4.39Å; Y408-L423 HydrophobicContact CG-CD2 4.08Å; S419-L423 PolarHBondContact O-N 2.67Å; V420-L423 WeakPolarHBondContact O-CB 3.4Å; V420-L423 PolarHBondContact O-N 3.15Å; V420-L423 VanDerWaalsContact O-N 3.11Å; L423-K425 VanDerWaalsContact C-N 3.27Å; L423-K425 PolarHBondContact O-N 3.27Å; L423-K426 PolarHBondContact O-N 3.46Å; L423-K426 VanDerWaalsContact O-N 3.11Å; L423-G427 PolarHBondContact O-N 3.35Å; L423-Y503 HydrophobicContact CD1-CE2 4.49Å
424I84.8Confident80.1Confident20 Ų2064 Ų6410%0.10331%0.311CS..Hα-helixtrans-59.1-37.9178.5-67.5169.1000111.5L395 I397 V410 D415 V420 K429L395-I424 HydrophobicContact CD2-CD1 4.44Å; I397-I424 HydrophobicContact CD1-CB 4.42Å; I397-I424 HydrophobicContact CD1-CG1 4.05Å; I397-I424 HydrophobicContact CD1-CG2 4.41Å; I397-I424 HydrophobicContact CG1-CG1 4.18Å; V410-I424 HydrophobicContact CG1-CD1 4.33Å; V410-I424 HydrophobicContact CG2-CG1 4.38Å; D415-I424 HydrophobicContact CB-CD1 4.05Å; V420-I424 HydrophobicContact CG1-CD1 3.86Å; V420-I424 HydrophobicContact CG1-CG1 4.23Å; V420-I424 VanDerWaalsContact O-CG1 3.28Å; V420-I424 WeakPolarHBondContact O-CG1 2.91Å; V420-I424 PolarHBondContact O-N 3.48Å; I424-K429 HydrophobicContact CG2-CD 4.39Å; I424-K429 VanDerWaalsContact CG2-CE 3.47Å
425K86.4Confident80.6Confident187 Ų18766.7 Ų66.781%0.81332%0.323SS*.Hα-helixtrans-71.7-33.1177.4-76.6178.2-179.3-175.90112.9K421 K422 L423K421-K425 WeakPolarHBondContact O-CB 3.09Å; K421-K425 VanDerWaalsContact O-CG 3.3Å; K421-K425 WeakPolarHBondContact O-CG 3.11Å; K421-K425 PolarHBondContact O-N 2.84Å; K421-K425 VanDerWaalsContact O-N 3.1Å; K422-K425 PolarHBondContact O-N 3.44Å; L423-K425 VanDerWaalsContact C-N 3.27Å; L423-K425 PolarHBondContact O-N 3.27Å
426K86.5Confident81.2Confident135 Ų13565.1 Ų65.159%0.58732%0.315SS*.Hα-helixtrans-76.2-33.9-179.2-173.3-178.3174.7-166.40112.1I399 E401 K422 L423I399-K426 HydrophobicContact CD1-CD 4.41Å; E401-K426 IonicContact OE1-NZ 3.57Å; K422-K426 WeakPolarHBondContact O-CB 3.36Å; K422-K426 PolarHBondContact O-N 2.9Å; L423-K426 PolarHBondContact O-N 3.46Å; L423-K426 VanDerWaalsContact O-N 3.11Å
427G87.5Confident81.8Confident18 Ų1858.7 Ų58.719%0.18629%0.287CS..SBendtrans-103170.2-172.500000115.9E398 L423E398-G427 CarbonylContact O-C 3.51Å; E398-G427 WeakPolarHBondContact O-CA 3.2Å; L423-G427 PolarHBondContact O-N 3.35Å
428K90.4Very high82.8Confident93 Ų9356 Ų5640%0.40427%0.273SS..EExtended strand (participates in β ladder)trans-85.7126.8172.6-175.4-175.8180-173.30109.6E398 L430E398-K428 HydrophobicContact CB-CB 4.33Å; E398-K428 PolarHBondContact N-O 3.45Å; E398-K428 PolarHBondContact O-N 2.85Å; E398-K428 WeakPolarHBondContact OE1-CD 3.35Å; K428-L430 HydrophobicContact CD-CD2 4.3Å; K428-L430 HydrophobicContact CG-CD2 4.32Å
429K90.3Very high83.5Confident83 Ų8352.3 Ų52.336%0.36125%0.248SC..EExtended strand (participates in β ladder)trans-76.1125.2177.4-54.1-175-172.9-167.30111.1Y390 L395 I397 I424Y390-K429 PolarHBondContact OH-NZ 2.93Å; L395-K429 HydrophobicContact CD1-CB 4.14Å; I397-K429 HydrophobicContact CD1-CB 4.46Å; I397-K429 HydrophobicContact CD1-CG 4.05Å; I424-K429 HydrophobicContact CG2-CD 4.39Å; I424-K429 VanDerWaalsContact CG2-CE 3.47Å
430L89Confident84.2Confident0 Ų051.2 Ų51.20%024%0.243CC..EExtended strand (participates in β ladder)trans-115.6127.3171.2-47.7-176.6000107.9V396 E398 Y407 K428 T437 T439V396-L430 HydrophobicContact CB-CB 4.27Å; V396-L430 PolarHBondContact N-O 2.71Å; V396-L430 WeakPolarHBondContact O-CA 3.33Å; V396-L430 WeakPolarHBondContact O-CB 3.43Å; V396-L430 PolarHBondContact O-N 3.38Å; E398-L430 HydrophobicContact CB-CD1 3.96Å; E398-L430 HydrophobicContact CB-CG 4.22Å; Y407-L430 HydrophobicContact CD1-CD1 4.15Å; Y407-L430 HydrophobicContact CE1-CD1 3.93Å; K428-L430 HydrophobicContact CD-CD2 4.3Å; K428-L430 HydrophobicContact CG-CD2 4.32Å; L430-T437 HydrophobicContact CB-CG2 3.97Å; L430-T437 HydrophobicContact CD1-CG2 3.97Å; L430-T437 HydrophobicContact CD2-CG2 4.39Å; L430-T437 HydrophobicContact CG-CG2 4.34Å; L430-T439 HydrophobicContact CD2-CG2 3.37Å
431H87.4Confident84.8Confident2 Ų252.7 Ų52.71%0.00925%0.252CS..EExtended strand (participates in β ladder)trans-105.3117.6175.5-70.4-100000108.5Y390 S393 F438 Y465Y390-H431 AromaticContact CD1-CE1 3.75Å; Y390-H431 AromaticContact CE1-CE1 3.49Å; Y390-H431 VanDerWaalsContact CE1-CE1 3.49Å; Y390-H431 WeakPolarHBondContact CE1-CE1 3.47Å; S393-H431 PolarHBondContact OG-ND1 3.18Å; H431-F438 HydrophobicContact CB-CB 4.19Å; H431-F438 PolarHBondContact N-O 3.3Å; H431-F438 WeakPolarHBondContact O-CB 3.37Å; H431-F438 PolarHBondContact O-N 3.21Å; H431-Y465 HydrophobicContact CB-CD2 4.49Å; H431-Y465 HydrophobicContact CB-CE2 3.91Å; H431-Y465 AromaticContact CD2-CE2 3.62Å; H431-Y465 AromaticContact CD2-CZ 3.48Å; H431-Y465 VanDerWaalsContact CD2-CZ 3.48Å; H431-Y465 PolarHBondContact CD2-OH 3.5Å; H431-Y465 PolarHBondContact CE1-OH 3.31Å; H431-Y465 AromaticContact CG-CE2 3.63Å; H431-Y465 AromaticContact CG-CZ 3.98Å; H431-Y465 AromaticContact NE2-CZ 3.75Å; H431-Y465 PolarHBondContact NE2-OH 2.97Å
432V78.5Confident84.9Confident22 Ų2253.8 Ų53.813%0.13326%0.257CS..EExtended strand (participates in β ladder)trans-105.6122.2-176.4179.10000109.6V394 V396 H436 T437 I491V394-V432 HydrophobicContact CB-CB 4.22Å; V394-V432 PolarHBondContact N-O 2.84Å; V394-V432 PolarHBondContact O-N 3.45Å; V396-V432 HydrophobicContact CG2-CG2 4.17Å; V432-H436 WeakPolarHBondContact CA-O 3.41Å; V432-T437 HydrophobicContact CG2-CG2 4.47Å; V432-I491 HydrophobicContact CG1-CD1 3.48Å; V432-I491 VanDerWaalsContact CG1-CD1 3.48Å; V432-I491 HydrophobicContact CG1-CG1 4.25Å
433F78.2Confident84.5Confident53 Ų5346.7 Ų46.723%0.23223%0.226CC..EExtended strand (participates in β ladder)trans-155.7139.4176-177.9-95000109.6H392 E435 H436 H479 Y480 T482H392-F433 WeakPolarHBondContact O-CD2 3.41Å; F433-E435 PolarHBondContact O-N 2.97Å; F433-E435 VanDerWaalsContact O-N 3.14Å; F433-H436 PolarHBondContact N-O 3.02Å; F433-H436 WeakPolarHBondContact O-CB 3.42Å; F433-H436 PolarHBondContact O-N 3.44Å; F433-H479 WeakPolarHBondContact CD1-O 3.44Å; F433-Y480 WeakPolarHBondContact CE1-O 3.41Å; F433-Y480 WeakPolarHBondContact CZ-O 3.31Å; F433-T482 VanDerWaalsContact CD1-OG1 3.28Å; F433-T482 WeakPolarHBondContact CD1-OG1 3.27Å
434N71.7Confident84.1Confident49 Ų4949.5 Ų49.526%0.26225%0.247SC..THydrogen-bonded Turntrans41.449.2-174.9-76.44.6000113.3H436 T482 H485 C486N434-H436 PolarHBondContact O-CD2 2.93Å; N434-H436 PolarHBondContact O-N 2.83Å; N434-T482 PolarHBondContact ND2-O 3.44Å; N434-H485 WeakPolarHBondContact O-CA 3.39Å; N434-C486 PolarHBondContact O-N 3.28Å; N434-C486 VanDerWaalsContact O-N 3.07Å
435E76.2Confident83.2Confident72 Ų7253 Ų5334%0.33627%0.274SS..THydrogen-bonded Turntrans60.38.7-179-58-174.2-176.600116.6F433 H485 C486 S489 I491F433-E435 PolarHBondContact O-N 2.97Å; F433-E435 VanDerWaalsContact O-N 3.14Å; E435-H485 IonicContact OE1-ND1 2.83Å; E435-C486 VanDerWaalsContact C-CB 3.41Å; E435-C486 HydrophobicContact CB-CB 4.06Å; E435-C486 WeakPolarHBondContact O-CB 3.44Å; E435-S489 PolarHBondContact O-OG 3.38Å; E435-I491 HydrophobicContact CB-CD1 4.18Å; E435-I491 WeakPolarHBondContact O-CD1 3.35Å
436H81.2Confident81.9Confident2 Ų246.6 Ų46.61%0.00926%0.261CS..EExtended strand (participates in β ladder)trans-91132.8172.2-68.5-77.6000111.4V432 F433 N434 F438 C467 C470 M472 T484 C486V432-H436 WeakPolarHBondContact CA-O 3.41Å; F433-H436 PolarHBondContact N-O 3.02Å; F433-H436 WeakPolarHBondContact O-CB 3.42Å; F433-H436 PolarHBondContact O-N 3.44Å; N434-H436 PolarHBondContact O-CD2 2.93Å; N434-H436 PolarHBondContact O-N 2.83Å; H436-F438 HydrophobicContact CB-CD2 3.92Å; H436-F438 HydrophobicContact CB-CE1 4Å; H436-F438 HydrophobicContact CB-CE2 3.28Å; H436-F438 HydrophobicContact CB-CZ 3.28Å; H436-F438 AromaticContact CG-CZ 3.63Å; H436-F438 PolarHBondContact O-N 3.17Å; H436-C467 HydrophobicContact CB-CB 4.27Å; H436-C467 PolarHBondContact ND1-SG 2.97Å; H436-C470 PolarHBondContact CE1-SG 3.41Å; H436-C470 PolarHBondContact ND1-SG 2.93Å; H436-M472 VanDerWaalsContact CE1-CE 3.48Å; H436-M472 WeakPolarHBondContact CE1-CE 3.31Å; H436-M472 VanDerWaalsContact NE2-CE 3.34Å; H436-M472 WeakPolarHBondContact NE2-CE 3.5Å; H436-T484 PolarHBondContact NE2-O 2.82Å; H436-C486 HydrophobicContact CB-CB 4.38Å; H436-C486 WeakPolarHBondContact CE1-CA 3.48Å; H436-C486 VanDerWaalsContact CE1-CB 3.48Å; H436-C486 WeakPolarHBondContact CE1-CB 3.45Å; H436-C486 VanDerWaalsContact ND1-CB 3.31Å; H436-C486 WeakPolarHBondContact ND1-CB 3.34Å; H436-C486 PolarHBondContact ND1-SG 2.94Å
437T86Confident81.2Confident3 Ų343.7 Ų43.72%0.01825%0.249CC..EExtended strand (participates in β ladder)trans-94.289.1170.4-48.90000111L430 V432 C467 R468 D469 I491L430-T437 HydrophobicContact CB-CG2 3.97Å; L430-T437 HydrophobicContact CD1-CG2 3.97Å; L430-T437 HydrophobicContact CD2-CG2 4.39Å; L430-T437 HydrophobicContact CG-CG2 4.34Å; V432-T437 HydrophobicContact CG2-CG2 4.47Å; T437-C467 WeakPolarHBondContact O-CA 3.47Å; T437-R468 PolarHBondContact O-N 3.46Å; T437-D469 PolarHBondContact OG1-OD2 3.24Å; T437-I491 WeakPolarHBondContact OG1-CG1 3.49Å
438F91.1Very high80.8Confident0 Ų048.9 Ų48.90%027%0.267CS..EExtended strand (participates in β ladder)trans-79137.1-177.8-66-70.1000113.5H431 H436 Y465 C467 M472 H479 T482H431-F438 HydrophobicContact CB-CB 4.19Å; H431-F438 PolarHBondContact N-O 3.3Å; H431-F438 WeakPolarHBondContact O-CB 3.37Å; H431-F438 PolarHBondContact O-N 3.21Å; H436-F438 HydrophobicContact CB-CD2 3.92Å; H436-F438 HydrophobicContact CB-CE1 4Å; H436-F438 HydrophobicContact CB-CE2 3.28Å; H436-F438 HydrophobicContact CB-CZ 3.28Å; H436-F438 AromaticContact CG-CZ 3.63Å; H436-F438 PolarHBondContact O-N 3.17Å; F438-Y465 HydrophobicContact CB-CD2 3.71Å; F438-Y465 HydrophobicContact CB-CE2 4.48Å; F438-Y465 HydrophobicContact CB-CG 4.01Å; F438-Y465 HydrophobicContact CG-CD2 4.31Å; F438-C467 HydrophobicContact CD1-CB 4.14Å; F438-C467 HydrophobicContact CE1-CB 3.93Å; F438-M472 HydrophobicContact CE1-CE 3.82Å; F438-M472 HydrophobicContact CZ-CE 3.49Å; F438-M472 VanDerWaalsContact CZ-CE 3.49Å; F438-H479 HydrophobicContact CD1-CB 4.43Å; F438-H479 HydrophobicContact CD2-CB 3.76Å; F438-H479 AromaticContact CD2-CD2 3.86Å; F438-H479 HydrophobicContact CE2-CB 3.9Å; F438-H479 HydrophobicContact CG-CB 4.04Å; F438-H479 HydrophobicContact CZ-CB 4.35Å; F438-T482 HydrophobicContact CE2-CG2 4.36Å; F438-T482 HydrophobicContact CZ-CG2 3.82Å
439T92.5Very high80.1Confident17 Ų1744.4 Ų44.410%0.10425%0.247CC..EExtended strand (participates in β ladder)trans-130.3144.8173.458.70000111.9L430 T441 Y465 R466 R468L430-T439 HydrophobicContact CD2-CG2 3.37Å; T439-T441 PolarHBondContact O-N 3.01Å; T439-Y465 WeakPolarHBondContact O-CA 3.46Å; T439-R466 PolarHBondContact N-O 2.9Å; T439-R466 PolarHBondContact O-N 3.37Å; T439-R466 PolarHBondContact OG1-O 3.41Å; T439-R468 HydrophobicContact CG2-CG 3.77Å
440A91.2Very high79.7Confident33 Ų3343.1 Ų43.127%0.27325%0.249SC..EExtended strand (participates in β ladder)trans-62.8120.3175.400000110.7R462 G464 Y465A440-R462 HydrophobicContact CB-CB 4.01Å; A440-R462 WeakPolarHBondContact O-CD 3.48Å; A440-G464 WeakPolarHBondContact CA-O 3.23Å; A440-Y465 HydrophobicContact CB-CD1 4.28Å; A440-Y465 HydrophobicContact CB-CE1 3.92Å
441T87.2Confident79.1Confident36 Ų3645.2 Ų45.222%0.22126%0.262CS..EExtended strand (participates in β ladder)trans-124.1152.5179.1-170.80000111.7T439 V443 R462 Q463 G464 R466 L473T439-T441 PolarHBondContact O-N 3.01Å; T441-V443 HydrophobicContact CG2-CG2 3.98Å; T441-R462 CarbonylContact O-C 3.5Å; T441-R462 WeakPolarHBondContact O-CA 3.37Å; T441-Q463 PolarHBondContact O-N 2.92Å; T441-G464 PolarHBondContact N-O 2.9Å; T441-G464 PolarHBondContact O-N 3.37Å; T441-R466 HydrophobicContact CG2-CB 3.62Å; T441-L473 HydrophobicContact CG2-CD1 4.05Å
442K83.6Confident78.3Confident132 Ų13247.3 Ų47.357%0.57428%0.276SS*.  trans-74147.6160.4-65.9-176.7-179.7179.10108F460 R462K442-F460 WeakPolarHBondContact CE-O 3.3Å; K442-R462 HydrophobicContact CG-CG 3.9Å
443V75.3Confident78Confident9 Ų952.4 Ų52.46%0.05530%0.299CS..  trans-128.8128.5-177.8-171.50000106.9T441 H447 V456 S458 L473T441-V443 HydrophobicContact CG2-CG2 3.98Å; V443-H447 HydrophobicContact CG1-CB 3.55Å; V443-V456 HydrophobicContact CB-CG1 4.2Å; V443-V456 HydrophobicContact CG1-CB 4.2Å; V443-V456 HydrophobicContact CG1-CG1 4.29Å; V443-V456 HydrophobicContact CG2-CG1 3.79Å; V443-S458 WeakPolarHBondContact O-CA 3.37Å; V443-S458 PolarHBondContact O-OG 3.15Å; V443-L473 HydrophobicContact CG1-CD2 3.8Å; V443-L473 HydrophobicContact CG2-CD1 3.78Å
444S71.4Confident78Confident73 Ų7353.8 Ų53.851%0.5131%0.305SS..  trans-72.4159.9172.149.40000110.5H447S444-H447 PolarHBondContact O-ND1 2.94Å; S444-H447 PolarHBondContact OG-CE1 3.38Å; S444-H447 PolarHBondContact OG-ND1 2.87Å
445S65.2Low78.3Confident95 Ų9554.8 Ų54.866%0.66431%0.313SS*.THydrogen-bonded Turntrans-56.7147.8178.1470000111.6S458S445-S458 PolarHBondContact N-OG 3.39Å
446G59.8Low78Confident52 Ų5251.3 Ų51.354%0.53630%0.297SS..THydrogen-bonded Turntrans86.74.5174.500000116.2
447H72.2Confident77.4Confident74 Ų7460.2 Ų60.234%0.34333%0.331SS..PPolyproline II helixtrans-90.5137.6174.7-73.974.5000112.5V443 S444 T455 V456 L473V443-H447 HydrophobicContact CG1-CB 3.55Å; S444-H447 PolarHBondContact O-ND1 2.94Å; S444-H447 PolarHBondContact OG-CE1 3.38Å; S444-H447 PolarHBondContact OG-ND1 2.87Å; H447-T455 WeakPolarHBondContact O-CG2 3.29Å; H447-V456 PolarHBondContact O-N 2.8Å; H447-L473 HydrophobicContact CB-CD2 3.55Å
448F77.4Confident76.2Confident126 Ų12663 Ų6355%0.55335%0.351SS*.BIsolated β-bridgetrans-99.5150.4178.8-57.9-79.1000111.9M453 T455F448-M453 VanDerWaalsContact CD1-O 3.28Å; F448-M453 WeakPolarHBondContact CD1-O 3.26Å; F448-T455 WeakPolarHBondContact CE1-OG1 3.34Å
449C77.7Confident74.6Confident0 Ų065.7 Ų65.70%037%0.367CS..PPolyproline II helixtrans-75.9125.3172.4172.20000109.3V451 M453 K454 V456 L473 C474 H475C449-V451 PolarHBondContact O-N 2.89Å; C449-V451 PolarHBondContact SG-N 2.91Å; C449-V451 VanDerWaalsContact SG-N 3.43Å; C449-M453 WeakPolarHBondContact O-CA 3.19Å; C449-M453 PolarHBondContact O-N 3.37Å; C449-K454 WeakPolarHBondContact CB-O 3.4Å; C449-K454 PolarHBondContact N-O 3.31Å; C449-V456 HydrophobicContact CB-CG2 3.78Å; C449-L473 CarbonylContact C-O 3.59Å; C449-C474 WeakPolarHBondContact SG-CA 3.48Å; C449-C474 VanDerWaalsContact SG-CB 3.53Å; C449-H475 VanDerWaalsContact CB-CE1 3.43Å; C449-H475 WeakPolarHBondContact CB-CE1 3.35Å; C449-H475 WeakPolarHBondContact CB-ND1 3.16Å; C449-H475 PolarHBondContact SG-N 3.07Å
450S81.4Confident73.1Confident56 Ų5674.3 Ų74.339%0.39240%0.403SS..THydrogen-bonded Turntrans-64.4-8178.9-55.10000115.1M453 L473S450-M453 VanDerWaalsContact O-CE 3.32Å; S450-M453 WeakPolarHBondContact O-CE 3.46Å; S450-L473 PolarHBondContact N-O 2.99Å; S450-L473 PolarHBondContact OG-O 3.37Å
451V75.4Confident71.9Confident44 Ų4482.3 Ų82.327%0.26743%0.426SS..THydrogen-bonded Turntrans-101.7-57.2-177.3-179.50000110.9C449 C474 C478 K481 T482C449-V451 PolarHBondContact O-N 2.89Å; C449-V451 PolarHBondContact SG-N 2.91Å; C449-V451 VanDerWaalsContact SG-N 3.43Å; V451-C474 HydrophobicContact CG2-CB 3.94Å; V451-C478 HydrophobicContact CB-CB 3.97Å; V451-C478 HydrophobicContact CG1-CB 4.16Å; V451-C478 HydrophobicContact CG2-CB 4.35Å; V451-K481 HydrophobicContact CG1-CB 3.83Å; V451-K481 WeakPolarHBondContact CG1-O 3.46Å; V451-T482 HydrophobicContact CG2-CG2 3.48Å; V451-T482 VanDerWaalsContact CG2-CG2 3.48Å
452C71.5Confident70.9Confident45 Ų4587.7 Ų87.730%0.30444%0.442SS..THydrogen-bonded Turntrans-98.90.1-179.269.10000114K454 H475C452-K454 PolarHBondContact O-N 3.18Å; C452-H475 PolarHBondContact SG-CE1 3.36Å; C452-H475 PolarHBondContact SG-ND1 2.89Å
453M72.4Confident70.5Confident129 Ų12984.6 Ų84.664%0.63543%0.43SS*.  trans56.5-3.5-176.2-56-55.2178.300116.8F448 C449 S450F448-M453 VanDerWaalsContact CD1-O 3.28Å; F448-M453 WeakPolarHBondContact CD1-O 3.26Å; C449-M453 WeakPolarHBondContact O-CA 3.19Å; C449-M453 PolarHBondContact O-N 3.37Å; S450-M453 VanDerWaalsContact O-CE 3.32Å; S450-M453 WeakPolarHBondContact O-CE 3.46Å
454K78.1Confident71.1Confident82 Ų8284.2 Ų84.236%0.35743%0.428SS..SBendtrans-69.8150.7169.5-57.5-168.7-179.1-162.70112S262 D263 C449 C452 V456 H475S262-K454 WeakPolarHBondContact O-CE 3.41Å; S262-K454 PolarHBondContact O-NZ 3.25Å; D263-K454 IonicContact OD1-NZ 3.88Å; D263-K454 PolarHBondContact OD1-NZ 3.48Å; C449-K454 WeakPolarHBondContact CB-O 3.4Å; C449-K454 PolarHBondContact N-O 3.31Å; C452-K454 PolarHBondContact O-N 3.18Å; K454-V456 PolarHBondContact O-N 3.49Å; K454-H475 PolarHBondContact O-CE1 3.4Å
455T76.8Confident72.1Confident70 Ų7081.3 Ų81.343%0.42941%0.406SS..BIsolated β-bridgetrans-58.9135.2179.6-46.30000112.2H447 F448 R457 H475H447-T455 WeakPolarHBondContact O-CG2 3.29Å; F448-T455 WeakPolarHBondContact CE1-OG1 3.34Å; T455-R457 PolarHBondContact O-N 3.04Å; T455-H475 PolarHBondContact O-NE2 3.05Å
456V71.1Confident73.4Confident0 Ų080.1 Ų80.10%039%0.387CS..  trans-84.5107.2168.3-174.50000107.7V443 H447 C449 K454 S458 L473V443-V456 HydrophobicContact CB-CG1 4.2Å; V443-V456 HydrophobicContact CG1-CB 4.2Å; V443-V456 HydrophobicContact CG1-CG1 4.29Å; V443-V456 HydrophobicContact CG2-CG1 3.79Å; H447-V456 PolarHBondContact O-N 2.8Å; C449-V456 HydrophobicContact CB-CG2 3.78Å; K454-V456 PolarHBondContact O-N 3.49Å; V456-S458 PolarHBondContact O-N 3.26Å; V456-L473 HydrophobicContact CG2-CD2 4.34Å; V456-L473 HydrophobicContact CG2-CG 4.3Å
457R68.4Low74.9Confident189 Ų18977.7 Ų77.771%0.71336%0.362SS*.  trans-53.2123.3-172.7-73.4-178.5-177.8167.40111.5T455 T459T455-R457 PolarHBondContact O-N 3.04Å; R457-T459 PolarHBondContact O-N 2.96Å
458S60.3Low75.8Confident62 Ų6278 Ų7843%0.43436%0.36SS..  trans-73.4113.8170.7178.80000109.3V443 S445 V456V443-S458 WeakPolarHBondContact O-CA 3.37Å; V443-S458 PolarHBondContact O-OG 3.15Å; S445-S458 PolarHBondContact N-OG 3.39Å; V456-S458 PolarHBondContact O-N 3.26Å
459T57.9Low76.2Confident55 Ų5573.9 Ų73.934%0.33734%0.344SS..  trans-144.4167.6170.663.50000109.2R457 R461 Q463R457-T459 PolarHBondContact O-N 2.96Å; T459-R461 PolarHBondContact O-N 3.36Å; T459-R461 PolarHBondContact OG1-N 3.23Å; T459-Q463 VanDerWaalsContact OG1-CD 3.3Å; T459-Q463 WeakPolarHBondContact OG1-CG 3.47Å; T459-Q463 PolarHBondContact OG1-NE2 3.25Å
460F60.8Low76.4Confident199 Ų19975.7 Ų75.787%0.87336%0.356SS*.SBendtrans-60.5-11.9174.5-59.6-79.8000114K442K442-F460 WeakPolarHBondContact CE-O 3.3Å
461R65.5Low76.9Confident200 Ų20081.9 Ų81.976%0.75537%0.37SS*.SBendtrans-92.3149.8176.5-63.5-172.6-172.4-1141.8111.4T459 Q463T459-R461 PolarHBondContact O-N 3.36Å; T459-R461 PolarHBondContact OG1-N 3.23Å; R461-Q463 VanDerWaalsContact C-N 3.32Å; R461-Q463 HydrophobicContact CB-CG 4.26Å; R461-Q463 PolarHBondContact O-N 3.38Å
462R67.3Low77.5Confident149 Ų14981.3 Ų81.356%0.56237%0.365SS*.  trans-72.281.8174.3-65.5176.7177.1-178.65.1110.4A440 T441 K442 K476A440-R462 HydrophobicContact CB-CB 4.01Å; A440-R462 WeakPolarHBondContact O-CD 3.48Å; T441-R462 CarbonylContact O-C 3.5Å; T441-R462 WeakPolarHBondContact O-CA 3.37Å; K442-R462 HydrophobicContact CG-CG 3.9Å; R462-K476 WeakPolarHBondContact O-CE 3.31Å
463Q74.5Confident78.4Confident68 Ų6879.5 Ų79.532%0.31835%0.353SS..  trans-90.5-11.8-175.9-68-161.716.300114.7T441 T459 R461T441-Q463 PolarHBondContact O-N 2.92Å; T459-Q463 VanDerWaalsContact OG1-CD 3.3Å; T459-Q463 WeakPolarHBondContact OG1-CG 3.47Å; T459-Q463 PolarHBondContact OG1-NE2 3.25Å; R461-Q463 VanDerWaalsContact C-N 3.32Å; R461-Q463 HydrophobicContact CB-CG 4.26Å; R461-Q463 PolarHBondContact O-N 3.38Å
464G87.5Confident79Confident0 Ų073.4 Ų73.40%032%0.323CS..EExtended strand (participates in β ladder)trans-104.8152.8176.800000112.6A440 T441 C474A440-G464 WeakPolarHBondContact CA-O 3.23Å; T441-G464 PolarHBondContact N-O 2.9Å; T441-G464 PolarHBondContact O-N 3.37Å; G464-C474 CarbonylContact C-O 3.55Å; G464-C474 WeakPolarHBondContact CA-O 3.14Å
465Y93Very high79.3Confident13 Ų1370.8 Ų70.85%0.05131%0.312CS..EExtended strand (participates in β ladder)trans-100.5130.3161.5-888.1000109L389 H431 F438 T439 A440 L473 C474 K476 H479L389-Y465 HydrophobicContact CD2-CE2 3.83Å; L389-Y465 VanDerWaalsContact CD2-OH 3.28Å; L389-Y465 WeakPolarHBondContact CD2-OH 3.3Å; H431-Y465 HydrophobicContact CB-CD2 4.49Å; H431-Y465 HydrophobicContact CB-CE2 3.91Å; H431-Y465 AromaticContact CD2-CE2 3.62Å; H431-Y465 AromaticContact CD2-CZ 3.48Å; H431-Y465 VanDerWaalsContact CD2-CZ 3.48Å; H431-Y465 PolarHBondContact CD2-OH 3.5Å; H431-Y465 PolarHBondContact CE1-OH 3.31Å; H431-Y465 AromaticContact CG-CE2 3.63Å; H431-Y465 AromaticContact CG-CZ 3.98Å; H431-Y465 AromaticContact NE2-CZ 3.75Å; H431-Y465 PolarHBondContact NE2-OH 2.97Å; F438-Y465 HydrophobicContact CB-CD2 3.71Å; F438-Y465 HydrophobicContact CB-CE2 4.48Å; F438-Y465 HydrophobicContact CB-CG 4.01Å; F438-Y465 HydrophobicContact CG-CD2 4.31Å; T439-Y465 WeakPolarHBondContact O-CA 3.46Å; A440-Y465 HydrophobicContact CB-CD1 4.28Å; A440-Y465 HydrophobicContact CB-CE1 3.92Å; Y465-L473 CarbonylContact O-C 3.56Å; Y465-L473 WeakPolarHBondContact O-CA 3.27Å; Y465-C474 PolarHBondContact N-O 2.91Å; Y465-C474 PolarHBondContact O-N 3.26Å; Y465-K476 HydrophobicContact CD1-CG 3.73Å; Y465-K476 HydrophobicContact CE1-CB 4.45Å; Y465-K476 HydrophobicContact CE1-CD 4.12Å; Y465-K476 HydrophobicContact CE1-CG 3.66Å; Y465-K476 HydrophobicContact CG-CG 4.32Å; Y465-H479 HydrophobicContact CD2-CB 3.72Å; Y465-H479 AromaticContact CD2-CG 3.6Å; Y465-H479 AromaticContact CD2-ND1 3.8Å; Y465-H479 AromaticContact CE2-CG 3.97Å; Y465-H479 AromaticContact CE2-ND1 3.83Å
466R92.9Very high79.9Confident69 Ų6970.1 Ų70.126%0.2630%0.303SS..EExtended strand (participates in β ladder)trans-120.7126.3173.4-172.5177.2-64.4-848.1109.3T439 T441 R468 R471 M472 L473T439-R466 PolarHBondContact N-O 2.9Å; T439-R466 PolarHBondContact O-N 3.37Å; T439-R466 PolarHBondContact OG1-O 3.41Å; T441-R466 HydrophobicContact CG2-CB 3.62Å; R466-R468 PolarHBondContact O-N 2.94Å; R466-R471 WeakPolarHBondContact CG-O 3.38Å; R466-R471 PolarHBondContact NH1-O 2.84Å; R466-M472 CarbonylContact C-O 3.5Å; R466-M472 VanDerWaalsContact CA-O 3.29Å; R466-M472 WeakPolarHBondContact CA-O 3.17Å; R466-L473 HydrophobicContact CB-CD1 4.43Å
467C90.4Very high80.5Confident2 Ų278 Ų781%0.01433%0.333CS..EExtended strand (participates in β ladder)trans-61.2131.4171.1-177.80000108.6H436 T437 F438 D469 C470 R471 M472H436-C467 HydrophobicContact CB-CB 4.27Å; H436-C467 PolarHBondContact ND1-SG 2.97Å; T437-C467 WeakPolarHBondContact O-CA 3.47Å; F438-C467 HydrophobicContact CD1-CB 4.14Å; F438-C467 HydrophobicContact CE1-CB 3.93Å; C467-D469 PolarHBondContact O-N 2.81Å; C467-D469 PolarHBondContact SG-N 2.55Å; C467-C470 VanDerWaalsContact SG-SG 3.67Å; C467-R471 WeakPolarHBondContact O-CA 3.24Å; C467-R471 PolarHBondContact O-N 3.38Å; C467-M472 HydrophobicContact CB-CB 4.28Å; C467-M472 PolarHBondContact N-O 2.77Å
468R91Very high81.3Confident80 Ų8069.3 Ų69.330%0.30230%0.301SS..THydrogen-bonded Turntrans-66.7-28.2178.3-70.217266.8165.8-1.4112.5E398 T437 T439 R466E398-R468 VanDerWaalsContact CD-NH1 3.32Å; E398-R468 IonicContact OE1-NH1 3.3Å; E398-R468 PolarHBondContact OE1-NH1 2.88Å; E398-R468 IonicContact OE1-NH2 3.97Å; E398-R468 IonicContact OE2-CZ 3.42Å; E398-R468 IonicContact OE2-NH1 2.74Å; E398-R468 PolarHBondContact OE2-NH1 3.08Å; E398-R468 IonicContact OE2-NH2 3.15Å; E398-R468 PolarHBondContact OE2-NH2 3.01Å; E398-R468 VanDerWaalsContact OE2-NH2 3.15Å; T437-R468 PolarHBondContact O-N 3.46Å; T439-R468 HydrophobicContact CG2-CG 3.77Å; R466-R468 PolarHBondContact O-N 2.94Å
469D85.7Confident82.4Confident40 Ų4066.4 Ų66.421%0.21428%0.28CS..THydrogen-bonded Turntrans-94-69.8-166.5-47.4-46.7000110.3T437 C467 R471 S488T437-D469 PolarHBondContact OG1-OD2 3.24Å; C467-D469 PolarHBondContact O-N 2.81Å; C467-D469 PolarHBondContact SG-N 2.55Å; D469-R471 VanDerWaalsContact C-N 3.32Å; D469-R471 PolarHBondContact O-N 2.85Å; D469-S488 VanDerWaalsContact CB-O 3.28Å; D469-S488 WeakPolarHBondContact CB-O 3.48Å
470C83.3Confident83.6Confident38 Ų3866.8 Ų66.826%0.25728%0.276SS..THydrogen-bonded Turntrans-83.6-1.3178.673.10000114.7H436 C467 M472 P487H436-C470 PolarHBondContact CE1-SG 3.41Å; H436-C470 PolarHBondContact ND1-SG 2.93Å; C467-C470 VanDerWaalsContact SG-SG 3.67Å; C470-M472 PolarHBondContact O-N 2.86Å; C470-M472 VanDerWaalsContact O-N 3.11Å; C470-M472 VanDerWaalsContact SG-CB 3.51Å; C470-P487 HydrophobicContact CB-CG 4.09Å
471R91.3Very high84.5Confident185 Ų18562.7 Ų62.770%0.69826%0.258SS*.  trans63.29-178.3-55.1-128.6-177.1125.41.2117R466 C467 D469 L473R466-R471 WeakPolarHBondContact CG-O 3.38Å; R466-R471 PolarHBondContact NH1-O 2.84Å; C467-R471 WeakPolarHBondContact O-CA 3.24Å; C467-R471 PolarHBondContact O-N 3.38Å; D469-R471 VanDerWaalsContact C-N 3.32Å; D469-R471 PolarHBondContact O-N 2.85Å; R471-L473 PolarHBondContact O-N 2.95Å
472M88.1Confident84.5Confident32 Ų3253.3 Ų53.316%0.15822%0.223CC..  trans-52.1131174.8-176.8171.568.300111.3H436 F438 R466 C467 C470 T482H436-M472 VanDerWaalsContact CE1-CE 3.48Å; H436-M472 WeakPolarHBondContact CE1-CE 3.31Å; H436-M472 VanDerWaalsContact NE2-CE 3.34Å; H436-M472 WeakPolarHBondContact NE2-CE 3.5Å; F438-M472 HydrophobicContact CE1-CE 3.82Å; F438-M472 HydrophobicContact CZ-CE 3.49Å; F438-M472 VanDerWaalsContact CZ-CE 3.49Å; R466-M472 CarbonylContact C-O 3.5Å; R466-M472 VanDerWaalsContact CA-O 3.29Å; R466-M472 WeakPolarHBondContact CA-O 3.17Å; C467-M472 HydrophobicContact CB-CB 4.28Å; C467-M472 PolarHBondContact N-O 2.77Å; C470-M472 PolarHBondContact O-N 2.86Å; C470-M472 VanDerWaalsContact O-N 3.11Å; C470-M472 VanDerWaalsContact SG-CB 3.51Å; M472-T482 HydrophobicContact CE-CG2 3.31Å; M472-T482 HydrophobicContact SD-CG2 4.41Å
473L89.5Confident84.3Confident8 Ų852.3 Ų52.34%0.04222%0.224CC..EExtended strand (participates in β ladder)trans-107.7129.2-178.6176.470000110.2T441 V443 H447 C449 S450 V456 Y465 R466 R471T441-L473 HydrophobicContact CG2-CD1 4.05Å; V443-L473 HydrophobicContact CG1-CD2 3.8Å; V443-L473 HydrophobicContact CG2-CD1 3.78Å; H447-L473 HydrophobicContact CB-CD2 3.55Å; C449-L473 CarbonylContact C-O 3.59Å; S450-L473 PolarHBondContact N-O 2.99Å; S450-L473 PolarHBondContact OG-O 3.37Å; V456-L473 HydrophobicContact CG2-CD2 4.34Å; V456-L473 HydrophobicContact CG2-CG 4.3Å; Y465-L473 CarbonylContact O-C 3.56Å; Y465-L473 WeakPolarHBondContact O-CA 3.27Å; R466-L473 HydrophobicContact CB-CD1 4.43Å; R471-L473 PolarHBondContact O-N 2.95Å
474C85.4Confident83.6Confident0 Ų053.5 Ų53.50%024%0.237CC..EExtended strand (participates in β ladder)trans-142.1169.1174.9630000112.2C449 V451 G464 Y465 C478 H479C449-C474 WeakPolarHBondContact SG-CA 3.48Å; C449-C474 VanDerWaalsContact SG-CB 3.53Å; V451-C474 HydrophobicContact CG2-CB 3.94Å; G464-C474 CarbonylContact C-O 3.55Å; G464-C474 WeakPolarHBondContact CA-O 3.14Å; Y465-C474 PolarHBondContact N-O 2.91Å; Y465-C474 PolarHBondContact O-N 3.26Å; C474-C478 HydrophobicContact CB-CB 4.31Å; C474-H479 VanDerWaalsContact SG-CB 3.6Å
475H85.2Confident82.7Confident28 Ų2859 Ų5913%0.1326%0.262CS..EExtended strand (participates in β ladder)trans-67.8152.5166.3-56.4108.8000110.1C449 C452 K454 T455 R477 C478 H479C449-H475 VanDerWaalsContact CB-CE1 3.43Å; C449-H475 WeakPolarHBondContact CB-CE1 3.35Å; C449-H475 WeakPolarHBondContact CB-ND1 3.16Å; C449-H475 PolarHBondContact SG-N 3.07Å; C452-H475 PolarHBondContact SG-CE1 3.36Å; C452-H475 PolarHBondContact SG-ND1 2.89Å; K454-H475 PolarHBondContact O-CE1 3.4Å; T455-H475 PolarHBondContact O-NE2 3.05Å; H475-R477 HydrophobicContact CB-CG 4.13Å; H475-R477 PolarHBondContact O-N 2.78Å; H475-R477 VanDerWaalsContact O-N 3.13Å; H475-C478 HydrophobicContact CB-CB 4.07Å; H475-C478 PolarHBondContact O-N 3.06Å; H475-H479 PolarHBondContact O-N 2.96Å
476K88.5Confident81.4Confident56 Ų5658.6 Ų58.624%0.24326%0.261CS..THydrogen-bonded Turntrans-49.4-38.9170.8-70.4-167.9178.4-1760113.7L389 R462 Y465 C478 H479L389-K476 HydrophobicContact CD1-CB 4.45Å; L389-K476 HydrophobicContact CD2-CB 4.13Å; R462-K476 WeakPolarHBondContact O-CE 3.31Å; Y465-K476 HydrophobicContact CD1-CG 3.73Å; Y465-K476 HydrophobicContact CE1-CB 4.45Å; Y465-K476 HydrophobicContact CE1-CD 4.12Å; Y465-K476 HydrophobicContact CE1-CG 3.66Å; Y465-K476 HydrophobicContact CG-CG 4.32Å; K476-C478 VanDerWaalsContact C-N 3.35Å; K476-H479 PolarHBondContact O-CE1 3.24Å; K476-H479 PolarHBondContact O-ND1 2.65Å
477R84.9Confident80.3Confident165 Ų16560.7 Ų60.762%0.62328%0.284SS*.THydrogen-bonded Turntrans-83.1-7.2178.867.1178-175.9155.72.4114.7H475 Y480H475-R477 HydrophobicContact CB-CG 4.13Å; H475-R477 PolarHBondContact O-N 2.78Å; H475-R477 VanDerWaalsContact O-N 3.13Å; R477-Y480 WeakPolarHBondContact O-CE1 3.35Å
478C85Confident79.9Confident7 Ų764 Ų645%0.04731%0.306CS..THydrogen-bonded Turntrans-102.1-13.7-177.4-68.30000112.4V451 C474 H475 K476 Y480 K481V451-C478 HydrophobicContact CB-CB 3.97Å; V451-C478 HydrophobicContact CG1-CB 4.16Å; V451-C478 HydrophobicContact CG2-CB 4.35Å; C474-C478 HydrophobicContact CB-CB 4.31Å; H475-C478 HydrophobicContact CB-CB 4.07Å; H475-C478 PolarHBondContact O-N 3.06Å; K476-C478 VanDerWaalsContact C-N 3.35Å; C478-Y480 VanDerWaalsContact C-N 3.28Å; C478-Y480 PolarHBondContact O-N 3.29Å; C478-K481 WeakPolarHBondContact O-CB 3.42Å; C478-K481 PolarHBondContact O-N 3.41Å
479H83.1Confident78.9Confident0 Ų061.2 Ų61.20%030%0.3CS..G310 helixtrans-62.4-31.1-173.181.3-77.5000114.4S393 F433 F438 Y465 C474 H475 K476 K481 T482S393-H479 WeakPolarHBondContact CB-NE2 3.47Å; S393-H479 PolarHBondContact OG-NE2 3.44Å; F433-H479 WeakPolarHBondContact CD1-O 3.44Å; F438-H479 HydrophobicContact CD1-CB 4.43Å; F438-H479 HydrophobicContact CD2-CB 3.76Å; F438-H479 AromaticContact CD2-CD2 3.86Å; F438-H479 HydrophobicContact CE2-CB 3.9Å; F438-H479 HydrophobicContact CG-CB 4.04Å; F438-H479 HydrophobicContact CZ-CB 4.35Å; Y465-H479 HydrophobicContact CD2-CB 3.72Å; Y465-H479 AromaticContact CD2-CG 3.6Å; Y465-H479 AromaticContact CD2-ND1 3.8Å; Y465-H479 AromaticContact CE2-CG 3.97Å; Y465-H479 AromaticContact CE2-ND1 3.83Å; C474-H479 VanDerWaalsContact SG-CB 3.6Å; H475-H479 PolarHBondContact O-N 2.96Å; K476-H479 PolarHBondContact O-CE1 3.24Å; K476-H479 PolarHBondContact O-ND1 2.65Å; H479-K481 PolarHBondContact O-N 3.31Å; H479-T482 VanDerWaalsContact O-CG2 3.26Å; H479-T482 WeakPolarHBondContact O-CG2 3.4Å; H479-T482 PolarHBondContact O-OG1 3.36Å
480Y81.8Confident78.2Confident64 Ų6463 Ų6325%0.25131%0.309SS..G310 helixtrans-83.63.8176.667.6-94.2000113.3H392 F433 R477 C478H392-Y480 VanDerWaalsContact CB-CB 3.47Å; H392-Y480 HydrophobicContact CB-CD1 4.13Å; H392-Y480 HydrophobicContact CB-CD2 3.51Å; H392-Y480 HydrophobicContact CB-CE2 4.25Å; H392-Y480 HydrophobicContact CB-CG 3.44Å; H392-Y480 VanDerWaalsContact CB-CG 3.44Å; H392-Y480 AromaticContact CD2-CD2 3.83Å; H392-Y480 AromaticContact CD2-CE2 3.66Å; H392-Y480 AromaticContact CD2-CZ 3.85Å; H392-Y480 AromaticContact CG-CD2 3.73Å; H392-Y480 AromaticContact CG-CE2 3.99Å; F433-Y480 WeakPolarHBondContact CE1-O 3.41Å; F433-Y480 WeakPolarHBondContact CZ-O 3.31Å; R477-Y480 WeakPolarHBondContact O-CE1 3.35Å; C478-Y480 VanDerWaalsContact C-N 3.28Å; C478-Y480 PolarHBondContact O-N 3.29Å
481K80.9Confident77.3Confident112 Ų11263 Ų6349%0.48731%0.306SS..G310 helixtrans-110.414.3176.8-58.7-175.2178-166.70111.7V451 C478 H479 E483V451-K481 HydrophobicContact CG1-CB 3.83Å; V451-K481 WeakPolarHBondContact CG1-O 3.46Å; C478-K481 WeakPolarHBondContact O-CB 3.42Å; C478-K481 PolarHBondContact O-N 3.41Å; H479-K481 PolarHBondContact O-N 3.31Å; K481-E483 PolarHBondContact O-N 2.69Å
482T64.9Low76Confident4 Ų461.9 Ų61.93%0.02531%0.307CS..  trans-74.4122.3179.1540000109F433 N434 F438 V451 M472 H479F433-T482 VanDerWaalsContact CD1-OG1 3.28Å; F433-T482 WeakPolarHBondContact CD1-OG1 3.27Å; N434-T482 PolarHBondContact ND2-O 3.44Å; F438-T482 HydrophobicContact CE2-CG2 4.36Å; F438-T482 HydrophobicContact CZ-CG2 3.82Å; V451-T482 HydrophobicContact CG2-CG2 3.48Å; V451-T482 VanDerWaalsContact CG2-CG2 3.48Å; M472-T482 HydrophobicContact CE-CG2 3.31Å; M472-T482 HydrophobicContact SD-CG2 4.41Å; H479-T482 VanDerWaalsContact O-CG2 3.26Å; H479-T482 WeakPolarHBondContact O-CG2 3.4Å; H479-T482 PolarHBondContact O-OG1 3.36Å
483E62.9Low75.1Confident127 Ų12766.3 Ų66.359%0.59333%0.331SS*.  trans-82.3-30.8-171.4-61.4177.5167.200112.9K481K481-E483 PolarHBondContact O-N 2.69Å
484T59.5Low74Confident94 Ų9467 Ų6758%0.57733%0.334SS*.SBendtrans-94.3147.1-178.1540000112.2H436H436-T484 PolarHBondContact NE2-O 2.82Å
485H69.7Low73Confident115 Ų11575 Ų7553%0.53237%0.371SS..PPolyproline II helixtrans-69.9149.6168.2-71-100.5000110.5N434 E435 P487N434-H485 WeakPolarHBondContact O-CA 3.39Å; E435-H485 IonicContact OE1-ND1 2.83Å; H485-P487 WeakPolarHBondContact O-CD 3.44Å
486C66.2Low71.8Confident5 Ų576.6 Ų76.63%0.03438%0.38CS..PPolyproline II helixtrans-65.1117177.6-173.80000111.8N434 E435 H436 S488 S489N434-C486 PolarHBondContact O-N 3.28Å; N434-C486 VanDerWaalsContact O-N 3.07Å; E435-C486 VanDerWaalsContact C-CB 3.41Å; E435-C486 HydrophobicContact CB-CB 4.06Å; E435-C486 WeakPolarHBondContact O-CB 3.44Å; H436-C486 HydrophobicContact CB-CB 4.38Å; H436-C486 WeakPolarHBondContact CE1-CA 3.48Å; H436-C486 VanDerWaalsContact CE1-CB 3.48Å; H436-C486 WeakPolarHBondContact CE1-CB 3.45Å; H436-C486 VanDerWaalsContact ND1-CB 3.31Å; H436-C486 WeakPolarHBondContact ND1-CB 3.34Å; H436-C486 PolarHBondContact ND1-SG 2.94Å; C486-S488 PolarHBondContact O-N 3.29Å; C486-S489 PolarHBondContact O-N 3.17Å
487P69.8Low69.8Low113 Ų11376.6 Ų76.673%0.73439%0.386SS*.THydrogen-bonded Turntrans-69.6-10.8-177.229.7-37.2000113.4C470 H485C470-P487 HydrophobicContact CB-CG 4.09Å; H485-P487 WeakPolarHBondContact O-CD 3.44Å
488S80.6Confident67.6Low70 Ų7074.3 Ų74.349%0.4940%0.402SS..THydrogen-bonded Turntrans-125.724-179.5-48.50000111.5D469 C486 N490D469-S488 VanDerWaalsContact CB-O 3.28Å; D469-S488 WeakPolarHBondContact CB-O 3.48Å; C486-S488 PolarHBondContact O-N 3.29Å; S488-N490 PolarHBondContact O-N 2.9Å
489S70.7Confident65.5Low23 Ų2379 Ų7916%0.16143%0.427CS..  trans-47127-176.3-179.70000112E435 C486E435-S489 PolarHBondContact O-OG 3.38Å; C486-S489 PolarHBondContact O-N 3.17Å
490N72Confident63.5Low78 Ų7881 Ų8142%0.41744%0.437SS..  trans-116.119.3175.2-154.414000111.9S488 F492 N493S488-N490 PolarHBondContact O-N 2.9Å; N490-F492 VanDerWaalsContact C-N 3.26Å; N490-F492 PolarHBondContact O-N 2.91Å; N490-N493 PolarHBondContact O-N 3.17Å; N490-N493 PolarHBondContact OD1-ND2 2.9Å
491I63.8Low61.5Low36 Ų3681 Ų8119%0.18545%0.447CS..G310 helixtrans-63.3-33.6-176.3-72161.9000111.6V432 E435 T437 N493 L494V432-I491 HydrophobicContact CG1-CD1 3.48Å; V432-I491 VanDerWaalsContact CG1-CD1 3.48Å; V432-I491 HydrophobicContact CG1-CG1 4.25Å; E435-I491 HydrophobicContact CB-CD1 4.18Å; E435-I491 WeakPolarHBondContact O-CD1 3.35Å; T437-I491 WeakPolarHBondContact OG1-CG1 3.49Å; I491-N493 PolarHBondContact O-N 2.81Å; I491-N493 VanDerWaalsContact O-N 3.13Å; I491-L494 HydrophobicContact CB-CD1 4.39Å; I491-L494 HydrophobicContact CG1-CD1 4.26Å; I491-L494 HydrophobicContact CG2-CD1 4.31Å; I491-L494 VanDerWaalsContact O-CB 3.23Å; I491-L494 WeakPolarHBondContact O-CB 3.47Å; I491-L494 WeakPolarHBondContact O-CG 3.31Å; I491-L494 PolarHBondContact O-N 2.91Å
492F63.3Low59.5Low163 Ų16383.9 Ų83.972%0.71546%0.462SS*.G310 helixtrans-61.7-21.3179.1-51.6-73.6000113.3N490N490-F492 VanDerWaalsContact C-N 3.26Å; N490-F492 PolarHBondContact O-N 2.91Å
493N68.9Low58.4Low124 Ų12487.9 Ų87.966%0.66348%0.477SS*.G310 helixtrans-87.8-4.7174.9-74.6-22.4000113.3N490 I491 H495N490-N493 PolarHBondContact O-N 3.17Å; N490-N493 PolarHBondContact OD1-ND2 2.9Å; I491-N493 PolarHBondContact O-N 2.81Å; I491-N493 VanDerWaalsContact O-N 3.13Å; N493-H495 PolarHBondContact O-N 2.84Å; N493-H495 VanDerWaalsContact O-N 3.08Å
494L67.3Low57.1Low22 Ų2285 Ų8512%0.11548%0.481CS..  trans-77.491.3170.2-53.7175.3000107.6Y407 I491 I496Y407-L494 HydrophobicContact CD1-CD2 3.86Å; Y407-L494 HydrophobicContact CD2-CB 4.15Å; Y407-L494 HydrophobicContact CD2-CD2 4.2Å; Y407-L494 HydrophobicContact CE1-CD2 3.42Å; Y407-L494 VanDerWaalsContact CE1-CD2 3.42Å; Y407-L494 HydrophobicContact CE2-CB 4.45Å; Y407-L494 HydrophobicContact CE2-CD2 3.79Å; Y407-L494 HydrophobicContact CG-CB 4.19Å; Y407-L494 HydrophobicContact CG-CD2 4.23Å; I491-L494 HydrophobicContact CB-CD1 4.39Å; I491-L494 HydrophobicContact CG1-CD1 4.26Å; I491-L494 HydrophobicContact CG2-CD1 4.31Å; I491-L494 VanDerWaalsContact O-CB 3.23Å; I491-L494 WeakPolarHBondContact O-CB 3.47Å; I491-L494 WeakPolarHBondContact O-CG 3.31Å; I491-L494 PolarHBondContact O-N 2.91Å; L494-I496 VanDerWaalsContact C-N 3.27Å; L494-I496 HydrophobicContact CB-CG1 4.38Å; L494-I496 PolarHBondContact O-N 2.9Å
495H63.9Low56.1Low168 Ų16881.4 Ų81.478%0.77846%0.459SS*.  trans-6986.3176.7-150.2-79.2000109.4N493 P497N493-H495 PolarHBondContact O-N 2.84Å; N493-H495 VanDerWaalsContact O-N 3.08Å; H495-P497 WeakPolarHBondContact O-CD 3.33Å
496I59.4Low54.4Low62 Ų6282 Ų8232%0.31846%0.461SS..  trans-84.5109.9176.8-60.4167.6000106.4V396 L409 L494 A498V396-I496 HydrophobicContact CG1-CD1 4.4Å; V396-I496 HydrophobicContact CG2-CD1 4.14Å; L409-I496 HydrophobicContact CB-CG2 3.99Å; L494-I496 VanDerWaalsContact C-N 3.27Å; L494-I496 HydrophobicContact CB-CG1 4.38Å; L494-I496 PolarHBondContact O-N 2.9Å; I496-A498 PolarHBondContact O-N 2.86Å
497P48.1Very low52.8Low57 Ų5788.6 Ų88.637%0.3749%0.491SS..  trans-62.2128.217521-18.9000108.3Y407 H495 D499Y407-P497 WeakPolarHBondContact O-CD 3.33Å; H495-P497 WeakPolarHBondContact O-CD 3.33Å; P497-D499 PolarHBondContact O-N 2.76Å; P497-D499 VanDerWaalsContact O-N 3.1Å
498A38.9Very low51.1Low116 Ų11687 Ų8796%0.95948%0.48SS*.SBendtrans-62.3-14.9177.700000112.8I496I496-A498 PolarHBondContact O-N 2.86Å
499D39.6Very low49Very low106 Ų10685.7 Ų85.757%0.56747%0.469SS*.  trans-117114.8-172.9-173.711.8000111.9P497 S501P497-D499 PolarHBondContact O-N 2.76Å; P497-D499 VanDerWaalsContact O-N 3.1Å; D499-S501 WeakPolarHBondContact OD1-CB 3.42Å; D499-S501 PolarHBondContact OD1-N 2.85Å; D499-S501 PolarHBondContact OD1-OG 2.83Å; D499-S501 VanDerWaalsContact OD1-OG 3.05Å; D499-S501 PolarHBondContact OD2-OG 2.91Å
500L42Very low47.1Very low41 Ų4188.6 Ų88.622%0.21548%0.482CS..  trans-91.58177.4-76.3165.1000112.9Y408 H502 Y503 I505Y408-L500 HydrophobicContact CD1-CD2 3.81Å; L500-H502 PolarHBondContact O-N 2.85Å; L500-Y503 PolarHBondContact O-N 2.87Å; L500-Y503 VanDerWaalsContact O-N 3.15Å; L500-I505 HydrophobicContact CB-CB 4.36Å; L500-I505 HydrophobicContact CB-CD1 4.38Å; L500-I505 HydrophobicContact CD1-CD1 4.43Å
501S38.5Very low45.1Very low65 Ų6593 Ų9346%0.45549%0.493SS..G310 helixtrans-50.5-32.1-177.357.50000113.8D499 Y503 G504D499-S501 WeakPolarHBondContact OD1-CB 3.42Å; D499-S501 PolarHBondContact OD1-N 2.85Å; D499-S501 PolarHBondContact OD1-OG 2.83Å; D499-S501 VanDerWaalsContact OD1-OG 3.05Å; D499-S501 PolarHBondContact OD2-OG 2.91Å; S501-Y503 PolarHBondContact O-N 2.77Å; S501-Y503 VanDerWaalsContact O-N 3.08Å; S501-G504 PolarHBondContact O-N 2.96Å; S501-G504 VanDerWaalsContact O-N 3.15Å
502H39.2Very low43.5Very low173 Ų17398 Ų9880%0.80152%0.515SS*.G310 helixtrans-65.5-12.9-177.1-136.150.7000115.5L500L500-H502 PolarHBondContact O-N 2.85Å
503Y41.7Very low42Very low87 Ų8793.5 Ų93.534%0.34150%0.501SS..G310 helixtrans-112.717.9176.8-81.2-81.5000114E401 Y408 L423 L500 S501 I505E401-Y503 PolarHBondContact OE1-OH 2.84Å; E401-Y503 VanDerWaalsContact OE1-OH 3.13Å; Y408-Y503 HydrophobicContact CE1-CD2 4.13Å; Y408-Y503 AromaticContact CE1-CE2 3.88Å; Y408-Y503 HydrophobicContact CE1-CE2 3.88Å; Y408-Y503 AromaticContact CZ-CE2 3.84Å; L423-Y503 HydrophobicContact CD1-CE2 4.49Å; L500-Y503 PolarHBondContact O-N 2.87Å; L500-Y503 VanDerWaalsContact O-N 3.15Å; S501-Y503 PolarHBondContact O-N 2.77Å; S501-Y503 VanDerWaalsContact O-N 3.08Å; Y503-I505 VanDerWaalsContact C-N 3.25Å; Y503-I505 PolarHBondContact O-N 2.89Å
504G35.3Very low40.1Very low66 Ų6691.4 Ų91.468%0.6849%0.49SS*.THydrogen-bonded Turntrans73.516.4176.700000113.9S501 H506S501-G504 PolarHBondContact O-N 2.96Å; S501-G504 VanDerWaalsContact O-N 3.15Å; G504-H506 PolarHBondContact O-N 3.18Å
505I39.3Very low38.2Very low20 Ų2095.1 Ų95.110%0.10351%0.509CS..  trans-84.575.4169.5-53.2172.8000106V420 L500 Y503V420-I505 HydrophobicContact CG2-CD1 3.9Å; L500-I505 HydrophobicContact CB-CB 4.36Å; L500-I505 HydrophobicContact CB-CD1 4.38Å; L500-I505 HydrophobicContact CD1-CD1 4.43Å; Y503-I505 VanDerWaalsContact C-N 3.25Å; Y503-I505 PolarHBondContact O-N 2.89Å
506H33.4Very low36.5Very low128 Ų12896.6 Ų96.659%0.59351%0.509SS*.  trans-68.3150.8-179-151.8-93.6000109.6G504 T508 V509G504-H506 PolarHBondContact O-N 3.18Å; H506-T508 PolarHBondContact O-N 3.26Å; H506-V509 PolarHBondContact O-N 3.47Å
507E32.8Very low34.9Very low142 Ų14297.4 Ų97.466%0.66452%0.521SS*.Hα-helixtrans-49.9-17.8-179.7-158.8174.8-17600114L510 R511E507-L510 PolarHBondContact O-N 3.44Å; E507-R511 PolarHBondContact O-N 2.97Å
508T34.5Very low33.8Very low81 Ų81101.9 Ų101.950%0.49753%0.531SS..Hα-helixtrans-65.6-36.9171.723.90000114.1H506 L510 R511 E512H506-T508 PolarHBondContact O-N 3.26Å; T508-L510 VanDerWaalsContact C-N 3.34Å; T508-R511 CarbonylContact O-C 3.59Å; T508-R511 PolarHBondContact O-N 3.24Å; T508-E512 PolarHBondContact O-N 2.79Å
509V36Very low33.1Very low42 Ų42100 Ų10026%0.25551%0.511SS..Hα-helixtrans-71.8-34.5176.2-178.70000110.5L414 L417 H506 E512 T513L414-V509 HydrophobicContact CD2-CG1 3.95Å; L417-V509 HydrophobicContact CD1-CG1 4.02Å; H506-V509 PolarHBondContact O-N 3.47Å; V509-E512 PolarHBondContact O-N 3.32Å; V509-T513 PolarHBondContact O-N 2.9Å; V509-T513 PolarHBondContact O-OG1 3Å
510L30.7Very low32.5Very low83 Ų83101.2 Ų101.244%0.43552%0.517SS..Hα-helixtrans-66.2-40.7169.9-80.5164.9000110.8E507 T508 E512 T513 I514E507-L510 PolarHBondContact O-N 3.44Å; T508-L510 VanDerWaalsContact C-N 3.34Å; L510-E512 PolarHBondContact O-N 3.42Å; L510-T513 PolarHBondContact O-N 2.81Å; L510-I514 WeakPolarHBondContact O-CB 3.35Å; L510-I514 WeakPolarHBondContact O-CD1 3.46Å; L510-I514 WeakPolarHBondContact O-CG1 3.5Å; L510-I514 PolarHBondContact O-N 2.94Å
511R29.9Very low31.7Very low171 Ų171107.6 Ų107.665%0.64554%0.539SS*.Hα-helixtrans-64.1-36.5173.6-89-177.1171-177.7-0.6113.4E507 T508 N515E507-R511 PolarHBondContact O-N 2.97Å; T508-R511 CarbonylContact O-C 3.59Å; T508-R511 PolarHBondContact O-N 3.24Å; R511-N515 WeakPolarHBondContact O-CB 3.35Å; R511-N515 PolarHBondContact O-N 2.89Å; R511-N515 PolarHBondContact O-ND2 3.2Å
512E31.6Very low31Very low141 Ų141115.2 Ų115.266%0.65956%0.558SS**Hα-helixtrans-72.9-36.3176.9-76.3-179.117300112.2T508 V509 L510 N515 Y516T508-E512 PolarHBondContact O-N 2.79Å; V509-E512 PolarHBondContact O-N 3.32Å; L510-E512 PolarHBondContact O-N 3.42Å; E512-N515 PolarHBondContact O-N 2.83Å; E512-Y516 PolarHBondContact O-N 2.83Å
513T30.4Very low30.3Very low68 Ų68115 Ų11542%0.41756%0.559SS.*Hα-helixtrans-73.5-36.3176.2-36.90000111.5V509 L510 N515 Y516 S517V509-T513 PolarHBondContact O-N 2.9Å; V509-T513 PolarHBondContact O-OG1 3Å; L510-T513 PolarHBondContact O-N 2.81Å; T513-N515 VanDerWaalsContact C-N 3.34Å; T513-Y516 PolarHBondContact O-N 2.95Å; T513-S517 PolarHBondContact O-N 2.76Å; T513-S517 PolarHBondContact O-OG 3.32Å
514I29.9Very low29.4Very low81 Ų81114.3 Ų114.342%0.41558%0.579SS.*Hα-helixtrans-68.7-34.3171-68.6167.1000110.2L510 Y516 S517 Y518L510-I514 WeakPolarHBondContact O-CB 3.35Å; L510-I514 WeakPolarHBondContact O-CD1 3.46Å; L510-I514 WeakPolarHBondContact O-CG1 3.5Å; L510-I514 PolarHBondContact O-N 2.94Å; I514-Y516 VanDerWaalsContact C-N 3.32Å; I514-Y516 PolarHBondContact O-N 3.13Å; I514-S517 PolarHBondContact O-N 3.08Å; I514-S517 PolarHBondContact O-OG 3.49Å; I514-Y518 HydrophobicContact CG2-CD2 3.47Å; I514-Y518 VanDerWaalsContact CG2-CD2 3.47Å; I514-Y518 HydrophobicContact CG2-CE2 3.81Å; I514-Y518 HydrophobicContact CG2-CG 4.48Å; I514-Y518 VanDerWaalsContact O-CB 3.29Å; I514-Y518 WeakPolarHBondContact O-CB 3.39Å; I514-Y518 WeakPolarHBondContact O-CD2 3.25Å; I514-Y518 PolarHBondContact O-N 3.2Å
515N27.9Very low28.8Very low100 Ų100115.4 Ų115.454%0.53558%0.581SS.*Hα-helixtrans-71.6-25.6176-78-20.3000113R511 E512 T513 S519R511-N515 WeakPolarHBondContact O-CB 3.35Å; R511-N515 PolarHBondContact O-N 2.89Å; R511-N515 PolarHBondContact O-ND2 3.2Å; E512-N515 PolarHBondContact O-N 2.83Å; T513-N515 VanDerWaalsContact C-N 3.34Å; N515-S519 VanDerWaalsContact O-CB 3.29Å; N515-S519 WeakPolarHBondContact O-CB 3.35Å; N515-S519 PolarHBondContact O-N 3.46Å; N515-S519 PolarHBondContact O-OG 3.41Å
516Y26.4Very low28.4Very low198 Ų198124.8 Ų124.878%0.77664%0.639SS**Hα-helixtrans-75-26.6172.5-135.3-85.7000112.7E512 T513 I514 S519E512-Y516 PolarHBondContact O-N 2.83Å; T513-Y516 PolarHBondContact O-N 2.95Å; I514-Y516 VanDerWaalsContact C-N 3.32Å; I514-Y516 PolarHBondContact O-N 3.13Å; Y516-S519 PolarHBondContact O-OG 3.26Å
517S27.7Very low28.1Very low79 Ų79124.6 Ų124.655%0.55264%0.641SS**Hα-helixtrans-85.9-24.5169.952.90000113.2T513 I514T513-S517 PolarHBondContact O-N 2.76Å; T513-S517 PolarHBondContact O-OG 3.32Å; I514-S517 PolarHBondContact O-N 3.08Å; I514-S517 PolarHBondContact O-OG 3.49Å
518Y24Very low27.9Very low152 Ų152123.7 Ų123.760%0.59664%0.64SS**Hα-helixtrans-88.7-13.2175.4-91.4-92.4000114.7I514 L520 Y521I514-Y518 HydrophobicContact CG2-CD2 3.47Å; I514-Y518 VanDerWaalsContact CG2-CD2 3.47Å; I514-Y518 HydrophobicContact CG2-CE2 3.81Å; I514-Y518 HydrophobicContact CG2-CG 4.48Å; I514-Y518 VanDerWaalsContact O-CB 3.29Å; I514-Y518 WeakPolarHBondContact O-CB 3.39Å; I514-Y518 WeakPolarHBondContact O-CD2 3.25Å; I514-Y518 PolarHBondContact O-N 3.2Å; Y518-L520 PolarHBondContact O-N 3.26Å; Y518-L520 VanDerWaalsContact O-N 3.16Å; Y518-Y521 PolarHBondContact O-N 2.77Å
519S25.1Very low27.5Very low77 Ų77126.1 Ų126.154%0.53865%0.648SS.*THydrogen-bonded Turntrans-66.5-15.117861.80000113.5N515 Y516N515-S519 VanDerWaalsContact O-CB 3.29Å; N515-S519 WeakPolarHBondContact O-CB 3.35Å; N515-S519 PolarHBondContact O-N 3.46Å; N515-S519 PolarHBondContact O-OG 3.41Å; Y516-S519 PolarHBondContact O-OG 3.26Å
520L25.4Very low27Very low130 Ų130131 Ų13168%0.68167%0.671SS**THydrogen-bonded Turntrans-85.6-21.3170.6-79.3162.6000113.3Y518Y518-L520 PolarHBondContact O-N 3.26Å; Y518-L520 VanDerWaalsContact O-N 3.16Å
521Y25.3Very low26.8Very low176 Ų176134 Ų13469%0.6969%0.686SS**THydrogen-bonded Turntrans-89.8-2.4-171.9-115.2-83.4000115Y518Y518-Y521 PolarHBondContact O-N 2.77Å
522R23.5Very low26.6Very low225 Ų225131.5 Ų131.585%0.84969%0.689SS**THydrogen-bonded Turntrans-98.36.9178.8-121.1-171.7-164.1-154.34.7115.7G524R522-G524 PolarHBondContact O-N 2.74Å
523M24.7Very low26.2Very low168 Ų168130.9 Ų130.983%0.82869%0.691SS**THydrogen-bonded Turntrans-80.410.9171-71.5-159.8-63.500114.5
524G23.9Very low25.9Very low73 Ų73135.7 Ų135.775%0.75371%0.712SS**THydrogen-bonded Turntrans-12615.1-175.300000117.2R522R522-G524 PolarHBondContact O-N 2.74Å
525A22.9Very low25.5Very low88 Ų88140.3 Ų140.373%0.72774%0.737SS**  trans-117.671.7178.500000111.9
526V29.6Very low25.3Very low217 Ų217143.9 Ų143.9100%1.31576%0.755SS**  trans-133.80144.9177.20000107.3

Retrieved 526 of 526 residues in 329.9 ms (Link to these results)