A0A3Q0KU48_SCHMA Loading...

Glyco_hydro_5_C domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KU48, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 141 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
1M67.4Low69.3Low203 Ų203130.1 Ų130.1100%164%0.642SS**  0-480-152165.977.700112.8Y3 T4 V5M1-Y3 PolarHBondContact O-N 3.13Å; M1-T4 PolarHBondContact O-N 2.84Å; M1-V5 PolarHBondContact O-N 3.18Å
2I71.7Confident69.6Low146 Ų146129.9 Ų129.975%0.74964%0.638SS**Hα-helixtrans-56.6-43.5-178.4-61.4168.6000113.4T4 V5 F6I2-T4 VanDerWaalsContact C-N 3.33Å; I2-T4 PolarHBondContact O-N 3.35Å; I2-V5 PolarHBondContact O-N 2.88Å; I2-F6 PolarHBondContact O-N 3.23Å
3Y63.6Low70.3Confident208 Ų208127.7 Ų127.782%0.81663%0.629SS**Hα-helixtrans-58.6-39.5179-100.8-86.3000113.8M1 K7M1-Y3 PolarHBondContact O-N 3.13Å; Y3-K7 PolarHBondContact O-N 3.06Å; Y3-K7 VanDerWaalsContact O-N 3.09Å
4T67.1Low70.7Confident99 Ų99127 Ų12761%0.60762%0.623SS**Hα-helixtrans-68.9-41-179.6-44.90000111.2M1 I2 K7 L8M1-T4 PolarHBondContact O-N 2.84Å; I2-T4 VanDerWaalsContact C-N 3.33Å; I2-T4 PolarHBondContact O-N 3.35Å; T4-K7 PolarHBondContact O-N 3.11Å; T4-L8 PolarHBondContact O-N 3.15Å
5V70Confident71.2Confident81 Ų81126.3 Ų126.349%0.49162%0.615SS.*Hα-helixtrans-64.2-45.3177.51780000110.7M1 I2 K7 L8 I9M1-V5 PolarHBondContact O-N 3.18Å; I2-V5 PolarHBondContact O-N 2.88Å; V5-K7 PolarHBondContact O-N 2.77Å; V5-L8 PolarHBondContact O-N 3.21Å; V5-I9 HydrophobicContact CG1-CD1 3.79Å; V5-I9 HydrophobicContact CG1-CG1 4.42Å; V5-I9 WeakPolarHBondContact O-CG1 3.35Å; V5-I9 PolarHBondContact O-N 3.43Å
6F63.6Low71.5Confident145 Ų145122.5 Ų122.564%0.63660%0.602SS**Hα-helixtrans-61-44.3177.7-163.7-95.2000111.6I2 L8 I9 T10I2-F6 PolarHBondContact O-N 3.23Å; F6-L8 VanDerWaalsContact C-N 3.31Å; F6-L8 PolarHBondContact O-N 3.02Å; F6-I9 PolarHBondContact O-N 3.31Å; F6-T10 WeakPolarHBondContact O-CB 3.27Å; F6-T10 PolarHBondContact O-N 2.84Å; F6-T10 PolarHBondContact O-OG1 2.84Å
7K71.4Confident72Confident165 Ų165120.8 Ų120.872%0.71760%0.595SS**Hα-helixtrans-61.3-38.2176.5-167175.7-177.4179.70112.5Y3 T4 V5 L11Y3-K7 PolarHBondContact O-N 3.06Å; Y3-K7 VanDerWaalsContact O-N 3.09Å; T4-K7 PolarHBondContact O-N 3.11Å; V5-K7 PolarHBondContact O-N 2.77Å; K7-L11 WeakPolarHBondContact O-CB 3.49Å; K7-L11 PolarHBondContact O-N 2.76Å
8L67.3Low72.4Confident123 Ų123119.9 Ų119.964%0.64459%0.593SS**Hα-helixtrans-68.8-43.8178.2-140.490.6000112T4 V5 F6 L11 H12T4-L8 PolarHBondContact O-N 3.15Å; V5-L8 PolarHBondContact O-N 3.21Å; F6-L8 VanDerWaalsContact C-N 3.31Å; F6-L8 PolarHBondContact O-N 3.02Å; L8-L11 PolarHBondContact O-N 2.99Å; L8-H12 WeakPolarHBondContact O-CB 3.43Å; L8-H12 PolarHBondContact O-N 3.12Å
9I74.2Confident72.8Confident89 Ų89119.1 Ų119.146%0.45659%0.587SS.*Hα-helixtrans-62.1-47.5176.9-67.8167.9000110V5 F6 L11 H12 I13V5-I9 HydrophobicContact CG1-CD1 3.79Å; V5-I9 HydrophobicContact CG1-CG1 4.42Å; V5-I9 WeakPolarHBondContact O-CG1 3.35Å; V5-I9 PolarHBondContact O-N 3.43Å; F6-I9 PolarHBondContact O-N 3.31Å; I9-L11 VanDerWaalsContact C-N 3.34Å; I9-L11 PolarHBondContact O-N 2.85Å; I9-H12 PolarHBondContact O-N 3.47Å; I9-I13 HydrophobicContact CG2-CD1 3.74Å; I9-I13 HydrophobicContact CG2-CG1 4.4Å; I9-I13 VanDerWaalsContact O-CG1 3.32Å; I9-I13 WeakPolarHBondContact O-CG1 3.46Å; I9-I13 PolarHBondContact O-N 3.5Å
10T70.7Confident73Confident50 Ų50120.8 Ų120.831%0.30759%0.588SS.*Hα-helixtrans-60.8-42.2177.8-57.60000111.6F6 I13 H14F6-T10 WeakPolarHBondContact O-CB 3.27Å; F6-T10 PolarHBondContact O-N 2.84Å; F6-T10 PolarHBondContact O-OG1 2.84Å; T10-I13 PolarHBondContact O-N 2.81Å; T10-H14 PolarHBondContact O-CD2 3.22Å; T10-H14 PolarHBondContact O-N 2.93Å
11L75.4Confident73.1Confident122 Ų122119 Ų11964%0.63958%0.581SS**Hα-helixtrans-62.7-42.5175.5-172.471.3000112K7 L8 I9 H14 F15K7-L11 WeakPolarHBondContact O-CB 3.49Å; K7-L11 PolarHBondContact O-N 2.76Å; L8-L11 PolarHBondContact O-N 2.99Å; I9-L11 VanDerWaalsContact C-N 3.34Å; I9-L11 PolarHBondContact O-N 2.85Å; L11-H14 PolarHBondContact O-N 2.84Å; L11-F15 WeakPolarHBondContact O-CB 3.29Å; L11-F15 PolarHBondContact O-N 2.95Å
12H73Confident73.6Confident128 Ų128112.8 Ų112.859%0.59355%0.553SS**Hα-helixtrans-63-46177.4-168.765.6000111.4L8 I9 H14 F15 T16L8-H12 WeakPolarHBondContact O-CB 3.43Å; L8-H12 PolarHBondContact O-N 3.12Å; I9-H12 PolarHBondContact O-N 3.47Å; H12-H14 PolarHBondContact O-N 2.92Å; H12-F15 PolarHBondContact O-N 3.43Å; H12-T16 PolarHBondContact O-N 3.18Å; H12-T16 PolarHBondContact O-OG1 2.01Å
13I79Confident73.7Confident101 Ų101109.3 Ų109.352%0.51854%0.542SS..Hα-helixtrans-59.6-45.2176.3-66.4166.9000111I9 T10 F15 T16 L17I9-I13 HydrophobicContact CG2-CD1 3.74Å; I9-I13 HydrophobicContact CG2-CG1 4.4Å; I9-I13 VanDerWaalsContact O-CG1 3.32Å; I9-I13 WeakPolarHBondContact O-CG1 3.46Å; I9-I13 PolarHBondContact O-N 3.5Å; T10-I13 PolarHBondContact O-N 2.81Å; I13-F15 VanDerWaalsContact C-N 3.33Å; I13-F15 PolarHBondContact O-N 2.89Å; I13-T16 PolarHBondContact O-N 2.78Å; I13-L17 VanDerWaalsContact O-CB 3.26Å; I13-L17 WeakPolarHBondContact O-CB 3.26Å; I13-L17 PolarHBondContact O-N 2.97Å
14H75.5Confident74Confident118 Ų118102.7 Ų102.755%0.54652%0.52SS..Hα-helixtrans-62.5-40176.6-81.9-65.7000112.5T10 L11 H12 L18T10-H14 PolarHBondContact O-CD2 3.22Å; T10-H14 PolarHBondContact O-N 2.93Å; L11-H14 PolarHBondContact O-N 2.84Å; H12-H14 PolarHBondContact O-N 2.92Å; H14-L18 VanDerWaalsContact O-CB 3.28Å; H14-L18 WeakPolarHBondContact O-CB 2.92Å; H14-L18 PolarHBondContact O-N 3.3Å
15F78.6Confident74.1Confident116 Ų116107 Ų10751%0.50953%0.526SS..Hα-helixtrans-65.5-47.1177.2-173-102.4000111.6L11 H12 I13 L17 L18 Q19L11-F15 WeakPolarHBondContact O-CB 3.29Å; L11-F15 PolarHBondContact O-N 2.95Å; H12-F15 PolarHBondContact O-N 3.43Å; I13-F15 VanDerWaalsContact C-N 3.33Å; I13-F15 PolarHBondContact O-N 2.89Å; F15-L17 PolarHBondContact O-N 3.37Å; F15-L18 PolarHBondContact O-N 3.19Å; F15-Q19 HydrophobicContact CD1-CG 4.32Å; F15-Q19 HydrophobicContact CE1-CG 4.1Å; F15-Q19 HydrophobicContact CZ-CG 4.36Å; F15-Q19 WeakPolarHBondContact O-CG 3.49Å; F15-Q19 PolarHBondContact O-N 3.04Å
16T76.3Confident74.1Confident66 Ų66108.1 Ų108.141%0.40553%0.529SS..Hα-helixtrans-63.1-42.1176.8-51.10000111.9H12 I13 Q19 Y20H12-T16 PolarHBondContact O-N 3.18Å; H12-T16 PolarHBondContact O-OG1 2.01Å; I13-T16 PolarHBondContact O-N 2.78Å; T16-Q19 PolarHBondContact O-N 2.82Å; T16-Y20 WeakPolarHBondContact O-CB 3.31Å; T16-Y20 PolarHBondContact O-N 3.2Å
17L79.4Confident74.3Confident93 Ų93106.8 Ų106.849%0.48752%0.523SS..Hα-helixtrans-63.2-42.5176.2-176.167.8000111.2I13 F15 Y20 I21I13-L17 VanDerWaalsContact O-CB 3.26Å; I13-L17 WeakPolarHBondContact O-CB 3.26Å; I13-L17 PolarHBondContact O-N 2.97Å; F15-L17 PolarHBondContact O-N 3.37Å; L17-Y20 PolarHBondContact O-N 2.65Å; L17-I21 HydrophobicContact CD1-CD1 4.45Å; L17-I21 HydrophobicContact CG-CD1 3.97Å; L17-I21 VanDerWaalsContact O-CG1 3.29Å; L17-I21 WeakPolarHBondContact O-CG1 3.32Å; L17-I21 PolarHBondContact O-N 2.83Å
18L78.2Confident73.8Confident105 Ų105104.7 Ų104.755%0.5551%0.514SS..Hα-helixtrans-62.6-44.5176.1-175.266.9000111.2H14 F15 Y20 I21 V22H14-L18 VanDerWaalsContact O-CB 3.28Å; H14-L18 WeakPolarHBondContact O-CB 2.92Å; H14-L18 PolarHBondContact O-N 3.3Å; F15-L18 PolarHBondContact O-N 3.19Å; L18-Y20 VanDerWaalsContact C-N 3.3Å; L18-Y20 PolarHBondContact O-N 2.95Å; L18-I21 PolarHBondContact O-N 2.84Å; L18-V22 WeakPolarHBondContact O-CB 3.23Å; L18-V22 VanDerWaalsContact O-CG2 3.3Å; L18-V22 WeakPolarHBondContact O-CG2 3.19Å; L18-V22 PolarHBondContact O-N 3.04Å
19Q80.2Confident73.7Confident105 Ų105102.2 Ų102.249%0.49151%0.507SS..Hα-helixtrans-58.9-42174.4-72.9-179.8-43.400111.8F15 T16 V22 S23F15-Q19 HydrophobicContact CD1-CG 4.32Å; F15-Q19 HydrophobicContact CE1-CG 4.1Å; F15-Q19 HydrophobicContact CZ-CG 4.36Å; F15-Q19 WeakPolarHBondContact O-CG 3.49Å; F15-Q19 PolarHBondContact O-N 3.04Å; T16-Q19 PolarHBondContact O-N 2.82Å; Q19-V22 PolarHBondContact O-N 2.82Å; Q19-S23 VanDerWaalsContact O-CB 3.31Å; Q19-S23 WeakPolarHBondContact O-CB 3.05Å; Q19-S23 PolarHBondContact O-N 3.49Å
20Y76.7Confident73Confident153 Ų153102.5 Ų102.560%0.651%0.509SS*.Hα-helixtrans-65.1-44.9176.5-171-96.5000112T16 L17 L18 V22 S23 L24T16-Y20 WeakPolarHBondContact O-CB 3.31Å; T16-Y20 PolarHBondContact O-N 3.2Å; L17-Y20 PolarHBondContact O-N 2.65Å; L18-Y20 VanDerWaalsContact C-N 3.3Å; L18-Y20 PolarHBondContact O-N 2.95Å; Y20-V22 PolarHBondContact O-N 2.69Å; Y20-S23 WeakPolarHBondContact O-CB 3.02Å; Y20-S23 PolarHBondContact O-N 3.3Å; Y20-L24 VanDerWaalsContact O-CB 3.3Å; Y20-L24 WeakPolarHBondContact O-CB 3.48Å; Y20-L24 PolarHBondContact O-N 2.93Å
21I75.4Confident72.6Confident84 Ų84104 Ų10443%0.43151%0.514SS..Hα-helixtrans-62-42.4176.9-69.2166.2000111.1L17 L18 L24 R25L17-I21 HydrophobicContact CD1-CD1 4.45Å; L17-I21 HydrophobicContact CG-CD1 3.97Å; L17-I21 VanDerWaalsContact O-CG1 3.29Å; L17-I21 WeakPolarHBondContact O-CG1 3.32Å; L17-I21 PolarHBondContact O-N 2.83Å; L18-I21 PolarHBondContact O-N 2.84Å; I21-L24 PolarHBondContact O-N 2.87Å; I21-R25 WeakPolarHBondContact O-CB 3.36Å; I21-R25 PolarHBondContact O-N 3.01Å
22V77.6Confident72.2Confident71 Ų71104 Ų10443%0.4351%0.51SS..Hα-helixtrans-64-45.5176170.70000110.6L18 Q19 Y20 L24 R25 N26L18-V22 WeakPolarHBondContact O-CB 3.23Å; L18-V22 VanDerWaalsContact O-CG2 3.3Å; L18-V22 WeakPolarHBondContact O-CG2 3.19Å; L18-V22 PolarHBondContact O-N 3.04Å; Q19-V22 PolarHBondContact O-N 2.82Å; Y20-V22 PolarHBondContact O-N 2.69Å; V22-L24 VanDerWaalsContact C-N 3.34Å; V22-L24 PolarHBondContact O-N 3.43Å; V22-R25 PolarHBondContact O-N 3.36Å; V22-N26 WeakPolarHBondContact O-CB 3.28Å; V22-N26 PolarHBondContact O-N 2.82Å; V22-N26 PolarHBondContact O-ND2 3.37Å
23S74.6Confident71.9Confident74 Ų74102.2 Ų102.252%0.51751%0.505SS..Hα-helixtrans-58.6-45.6175.3-1740000111.6Q19 Y20 N26 F27Q19-S23 VanDerWaalsContact O-CB 3.31Å; Q19-S23 WeakPolarHBondContact O-CB 3.05Å; Q19-S23 PolarHBondContact O-N 3.49Å; Y20-S23 WeakPolarHBondContact O-CB 3.02Å; Y20-S23 PolarHBondContact O-N 3.3Å; S23-N26 PolarHBondContact O-N 2.88Å; S23-F27 WeakPolarHBondContact O-CB 3.42Å; S23-F27 PolarHBondContact O-N 2.79Å
24L70.5Confident71.5Confident68 Ų68101.4 Ų101.436%0.35650%0.497SS..Hα-helixtrans-65.7-42.5179.2-161.676000111.8Y20 I21 V22 N26 F27 F28Y20-L24 VanDerWaalsContact O-CB 3.3Å; Y20-L24 WeakPolarHBondContact O-CB 3.48Å; Y20-L24 PolarHBondContact O-N 2.93Å; I21-L24 PolarHBondContact O-N 2.87Å; V22-L24 VanDerWaalsContact C-N 3.34Å; V22-L24 PolarHBondContact O-N 3.43Å; L24-N26 VanDerWaalsContact C-N 3.34Å; L24-N26 PolarHBondContact O-N 2.84Å; L24-F27 WeakPolarHBondContact O-CB 3.35Å; L24-F27 PolarHBondContact O-N 3.41Å; L24-F28 HydrophobicContact CD1-CE2 4.16Å; L24-F28 HydrophobicContact CD2-CE2 3.83Å; L24-F28 HydrophobicContact CG-CD2 3.96Å; L24-F28 HydrophobicContact CG-CE2 3.58Å; L24-F28 WeakPolarHBondContact O-CD2 3.26Å; L24-F28 PolarHBondContact O-N 2.77Å
25R68.9Low71.2Confident191 Ų19198.7 Ų98.772%0.72149%0.492SS*.Hα-helixtrans-58.8-45.3172.2-101.4-175170.6-102.21111.7I21 V22 F27 F28 S29I21-R25 WeakPolarHBondContact O-CB 3.36Å; I21-R25 PolarHBondContact O-N 3.01Å; V22-R25 PolarHBondContact O-N 3.36Å; R25-F27 VanDerWaalsContact C-N 3.31Å; R25-F27 PolarHBondContact O-N 2.79Å; R25-F28 PolarHBondContact O-N 3.49Å; R25-S29 WeakPolarHBondContact O-CB 3.37Å; R25-S29 PolarHBondContact O-N 3.19Å
26N69.4Low71Confident104 Ų104101.4 Ų101.456%0.55650%0.504SS*.Hα-helixtrans-64-39.2178.3-70-17000111.2V22 S23 L24 S29 L30V22-N26 WeakPolarHBondContact O-CB 3.28Å; V22-N26 PolarHBondContact O-N 2.82Å; V22-N26 PolarHBondContact O-ND2 3.37Å; S23-N26 PolarHBondContact O-N 2.88Å; L24-N26 VanDerWaalsContact C-N 3.34Å; L24-N26 PolarHBondContact O-N 2.84Å; N26-S29 PolarHBondContact O-N 2.95Å; N26-L30 WeakPolarHBondContact O-CB 3.23Å; N26-L30 PolarHBondContact O-N 2.81Å
27F67.2Low71.2Confident117 Ų11799.3 Ų99.351%0.51349%0.492SS..Hα-helixtrans-62.8-48.8175.2-175.8-94.6000112.2S23 L24 R25 S29 L30 M31S23-F27 WeakPolarHBondContact O-CB 3.42Å; S23-F27 PolarHBondContact O-N 2.79Å; L24-F27 WeakPolarHBondContact O-CB 3.35Å; L24-F27 PolarHBondContact O-N 3.41Å; R25-F27 VanDerWaalsContact C-N 3.31Å; R25-F27 PolarHBondContact O-N 2.79Å; F27-S29 VanDerWaalsContact C-N 3.34Å; F27-S29 PolarHBondContact O-N 3.43Å; F27-L30 PolarHBondContact O-N 2.93Å; F27-M31 HydrophobicContact CD1-CG 4.45Å; F27-M31 HydrophobicContact CE1-CG 4.06Å; F27-M31 HydrophobicContact CE1-SD 3.95Å; F27-M31 HydrophobicContact CZ-CG 4.27Å; F27-M31 HydrophobicContact CZ-SD 4.11Å; F27-M31 PolarHBondContact O-N 3.07Å
28F61.6Low71.7Confident120 Ų12096.8 Ų96.853%0.52648%0.481SS..Hα-helixtrans-62.2-40.4176.3-78-62.4000112.4L24 R25 M31 Q32L24-F28 HydrophobicContact CD1-CE2 4.16Å; L24-F28 HydrophobicContact CD2-CE2 3.83Å; L24-F28 HydrophobicContact CG-CD2 3.96Å; L24-F28 HydrophobicContact CG-CE2 3.58Å; L24-F28 WeakPolarHBondContact O-CD2 3.26Å; L24-F28 PolarHBondContact O-N 2.77Å; R25-F28 PolarHBondContact O-N 3.49Å; F28-M31 PolarHBondContact O-N 3.24Å; F28-Q32 WeakPolarHBondContact O-CG 3.46Å; F28-Q32 PolarHBondContact O-N 2.88Å
29S65Low72.5Confident72 Ų7291.9 Ų91.950%0.50346%0.456SS..Hα-helixtrans-61.7-43.5175.6-175.40000111.8R25 N26 F27 M31 Q32 L33R25-S29 WeakPolarHBondContact O-CB 3.37Å; R25-S29 PolarHBondContact O-N 3.19Å; N26-S29 PolarHBondContact O-N 2.95Å; F27-S29 VanDerWaalsContact C-N 3.34Å; F27-S29 PolarHBondContact O-N 3.43Å; S29-M31 PolarHBondContact O-N 2.9Å; S29-Q32 PolarHBondContact O-N 2.85Å; S29-L33 PolarHBondContact O-N 2.92Å
30L59.9Low73.2Confident94 Ų9491.9 Ų91.949%0.49245%0.452SS..Hα-helixtrans-63.9-41.7177.7-171.571.6000112.1N26 F27 L33 K34N26-L30 WeakPolarHBondContact O-CB 3.23Å; N26-L30 PolarHBondContact O-N 2.81Å; F27-L30 PolarHBondContact O-N 2.93Å; L30-L33 PolarHBondContact O-N 2.9Å; L30-K34 PolarHBondContact O-N 2.85Å
31M61.6Low74.1Confident83 Ų8386.1 Ų86.141%0.40943%0.433SS..Hα-helixtrans-64.2-39.7176.1-74-135.572.600112.4F27 F28 S29 S35F27-M31 HydrophobicContact CD1-CG 4.45Å; F27-M31 HydrophobicContact CE1-CG 4.06Å; F27-M31 HydrophobicContact CE1-SD 3.95Å; F27-M31 HydrophobicContact CZ-CG 4.27Å; F27-M31 HydrophobicContact CZ-SD 4.11Å; F27-M31 PolarHBondContact O-N 3.07Å; F28-M31 PolarHBondContact O-N 3.24Å; S29-M31 PolarHBondContact O-N 2.9Å; M31-S35 PolarHBondContact O-N 2.82Å; M31-S35 VanDerWaalsContact O-N 3.13Å; M31-S35 PolarHBondContact O-OG 3.45Å
32Q67.2Low75Confident120 Ų12086.4 Ų86.456%0.56143%0.433SS*.Hα-helixtrans-62.1-47.5173.7-73.4176.27.200110.6F28 S29 K34 S35 F36F28-Q32 WeakPolarHBondContact O-CG 3.46Å; F28-Q32 PolarHBondContact O-N 2.88Å; S29-Q32 PolarHBondContact O-N 2.85Å; Q32-K34 VanDerWaalsContact C-N 3.34Å; Q32-K34 PolarHBondContact O-N 3.08Å; Q32-S35 PolarHBondContact O-N 3Å; Q32-S35 VanDerWaalsContact O-N 3.1Å; Q32-F36 HydrophobicContact CB-CD2 4.38Å; Q32-F36 HydrophobicContact CB-CE2 4.29Å; Q32-F36 WeakPolarHBondContact O-CD2 2.96Å; Q32-F36 PolarHBondContact O-N 3.12Å
33L67.7Low75.9Confident92 Ų9285.6 Ų85.648%0.48243%0.431SS..Hα-helixtrans-57.6-44.4179.8-163.191.9000112.4S29 L30 S35 F36 S37 I89S29-L33 PolarHBondContact O-N 2.92Å; L30-L33 PolarHBondContact O-N 2.9Å; L33-S35 VanDerWaalsContact C-N 3.34Å; L33-S35 PolarHBondContact O-N 2.98Å; L33-F36 PolarHBondContact O-N 3.07Å; L33-S37 VanDerWaalsContact O-CB 3.3Å; L33-S37 WeakPolarHBondContact O-CB 3.47Å; L33-S37 PolarHBondContact O-N 2.91Å; L33-S37 PolarHBondContact O-OG 2.86Å; L33-I89 HydrophobicContact CD2-CD1 3.98Å; L33-I89 HydrophobicContact CG-CD1 4.42Å
34K70.2Confident76.9Confident83 Ų8383.7 Ų83.736%0.36142%0.416SS..Hα-helixtrans-60.4-43.3175.8-75.7-173.4173.1-168.70112.1L30 Q32 F36 S37 I89 H90L30-K34 PolarHBondContact O-N 2.85Å; Q32-K34 VanDerWaalsContact C-N 3.34Å; Q32-K34 PolarHBondContact O-N 3.08Å; K34-F36 VanDerWaalsContact C-N 3.31Å; K34-F36 PolarHBondContact O-N 3.02Å; K34-S37 PolarHBondContact O-N 3.27Å; K34-I89 HydrophobicContact CB-CG2 4.44Å; K34-I89 HydrophobicContact CG-CG2 3.83Å; K34-H90 PolarHBondContact O-NE2 3.25Å; K34-H90 VanDerWaalsContact O-NE2 3.16Å
35S68.4Low77.9Confident61 Ų6181.6 Ų81.643%0.42741%0.408SS..Hα-helixtrans-69.4-29.1-178.6-54.20000113M31 Q32 L33 C38M31-S35 PolarHBondContact O-N 2.82Å; M31-S35 VanDerWaalsContact O-N 3.13Å; M31-S35 PolarHBondContact O-OG 3.45Å; Q32-S35 PolarHBondContact O-N 3Å; Q32-S35 VanDerWaalsContact O-N 3.1Å; L33-S35 VanDerWaalsContact C-N 3.34Å; L33-S35 PolarHBondContact O-N 2.98Å; S35-C38 PolarHBondContact O-SG 2.94Å
36F74.7Confident79.1Confident173 Ų17373 Ų7376%0.75938%0.379SS*.Hα-helixtrans-86.6-16.7176.8-72.4-65.9000113.8Q32 L33 K34 C38Q32-F36 HydrophobicContact CB-CD2 4.38Å; Q32-F36 HydrophobicContact CB-CE2 4.29Å; Q32-F36 WeakPolarHBondContact O-CD2 2.96Å; Q32-F36 PolarHBondContact O-N 3.12Å; L33-F36 PolarHBondContact O-N 3.07Å; K34-F36 VanDerWaalsContact C-N 3.31Å; K34-F36 PolarHBondContact O-N 3.02Å; F36-C38 PolarHBondContact O-N 3.45Å
37S81.9Confident80.4Confident23 Ų2374 Ų7416%0.16138%0.38CS..SBendtrans-102.351.8-176.5-51.40000111.5L33 K34 P86 I89 H90L33-S37 VanDerWaalsContact O-CB 3.3Å; L33-S37 WeakPolarHBondContact O-CB 3.47Å; L33-S37 PolarHBondContact O-N 2.91Å; L33-S37 PolarHBondContact O-OG 2.86Å; K34-S37 PolarHBondContact O-N 3.27Å; S37-P86 WeakPolarHBondContact O-CG 3.3Å; S37-I89 WeakPolarHBondContact OG-CD1 3.24Å; S37-H90 PolarHBondContact O-CD2 2.94Å; S37-H90 PolarHBondContact O-NE2 2.91Å
38C89.6Confident81.8Confident39 Ų3972.4 Ų72.426%0.26438%0.382SS..  trans-71.1152.6178.7-63.60000111.7S35 F36 Y40 F53S35-C38 PolarHBondContact O-SG 2.94Å; F36-C38 PolarHBondContact O-N 3.45Å; C38-Y40 WeakPolarHBondContact O-CD1 3.29Å; C38-F53 HydrophobicContact CB-CD1 3.65Å; C38-F53 HydrophobicContact CB-CE1 3.87Å; C38-F53 HydrophobicContact CB-CG 4.24Å; C38-F53 WeakPolarHBondContact SG-CD1 3.47Å
39T94.1Very high83.5Confident3 Ų371 Ų712%0.01838%0.383CS..  trans-72.1135.4164.5-600000110F60 I83 F84 V85 Y91 I136T39-F60 HydrophobicContact CG2-CB 3.88Å; T39-F60 HydrophobicContact CG2-CD1 3.81Å; T39-F60 HydrophobicContact CG2-CD2 3.37Å; T39-F60 HydrophobicContact CG2-CE1 4.13Å; T39-F60 HydrophobicContact CG2-CE2 3.68Å; T39-F60 HydrophobicContact CG2-CG 3.39Å; T39-F60 HydrophobicContact CG2-CZ 4.04Å; T39-F60 WeakPolarHBondContact O-CD2 3.41Å; T39-F60 VanDerWaalsContact O-CE2 3.23Å; T39-F60 WeakPolarHBondContact O-CE2 3.41Å; T39-I83 HydrophobicContact CG2-CG2 3.63Å; T39-F84 VanDerWaalsContact CA-O 3.24Å; T39-F84 WeakPolarHBondContact CA-O 2.96Å; T39-F84 VanDerWaalsContact CG2-O 3.3Å; T39-F84 WeakPolarHBondContact CG2-O 3.48Å; T39-V85 HydrophobicContact CG2-CG2 3.93Å; T39-Y91 WeakPolarHBondContact OG1-CE2 3.44Å; T39-Y91 PolarHBondContact OG1-OH 3.16Å; T39-I136 HydrophobicContact CG2-CD1 4.28Å
40Y94.7Very high85.1Confident105 Ų10571.9 Ų71.941%0.41238%0.379SS..EExtended strand (participates in β ladder)trans-154.4151.9179.668-89.7000112.9C38 Q42 I83 F84C38-Y40 WeakPolarHBondContact O-CD1 3.29Å; Y40-Q42 HydrophobicContact CD2-CG 4.45Å; Y40-Q42 HydrophobicContact CE2-CG 3.84Å; Y40-Q42 PolarHBondContact O-N 3.25Å; Y40-I83 WeakPolarHBondContact O-CG2 3.2Å; Y40-F84 HydrophobicContact CD1-CB 4.12Å; Y40-F84 AromaticContact CD1-CD1 3.8Å; Y40-F84 HydrophobicContact CD1-CD1 3.8Å; Y40-F84 HydrophobicContact CD1-CG 4.36Å; Y40-F84 HydrophobicContact CE1-CB 3.76Å; Y40-F84 AromaticContact CE1-CD1 3.27Å; Y40-F84 HydrophobicContact CE1-CD1 3.27Å; Y40-F84 HydrophobicContact CE1-CE1 4.07Å; Y40-F84 AromaticContact CE1-CG 3.72Å; Y40-F84 HydrophobicContact CE1-CG 3.72Å; Y40-F84 HydrophobicContact CE2-CB 4.2Å; Y40-F84 HydrophobicContact CG-CB 4.47Å; Y40-F84 PolarHBondContact N-O 3.06Å; Y40-F84 VanDerWaalsContact N-O 3.07Å; Y40-F84 PolarHBondContact O-N 3.13Å
41P96.4Very high86.8Confident31 Ų3171.8 Ų71.820%0.20138%0.378CS..EExtended strand (participates in β ladder)trans-71.5126.9174.230.6-34.7000110.7L51 Y62 E82P41-L51 HydrophobicContact CG-CD1 4.34Å; P41-Y62 HydrophobicContact CB-CD1 4.2Å; P41-Y62 HydrophobicContact CB-CE1 3.77Å; P41-Y62 HydrophobicContact CB-CE2 4.25Å; P41-Y62 HydrophobicContact CG-CD2 4.08Å; P41-Y62 HydrophobicContact CG-CE1 4.17Å; P41-Y62 HydrophobicContact CG-CE2 3.72Å; P41-Y62 HydrophobicContact CG-CG 4.47Å; P41-E82 CarbonylContact C-O 3.57Å
42Q94.5Very high88.5Confident91 Ų9175.7 Ų75.743%0.42539%0.389SS..EExtended strand (participates in β ladder)trans-86.4-36.1172.2-68.3-164.7-34.700112.1Y40 E82 F84 L115Y40-Q42 HydrophobicContact CD2-CG 4.45Å; Y40-Q42 HydrophobicContact CE2-CG 3.84Å; Y40-Q42 PolarHBondContact O-N 3.25Å; Q42-E82 HydrophobicContact CB-CB 4.49Å; Q42-E82 PolarHBondContact N-O 3.01Å; Q42-F84 HydrophobicContact CG-CB 3.84Å; Q42-L115 HydrophobicContact CG-CD2 4.49Å
43S95.4Very high89.9Confident54 Ų5472 Ų7238%0.37837%0.371SS..EExtended strand (participates in β ladder)trans-149.3145.3-177.71540000109.1A81 E82S43-A81 WeakPolarHBondContact O-CA 3.23Å; S43-E82 PolarHBondContact N-O 3.32Å; S43-E82 PolarHBondContact O-N 3.45Å
44T95.5Very high91.1Very high34 Ų3471.3 Ų71.321%0.20937%0.367CS..EExtended strand (participates in β ladder)trans-150.1133.6179-60.50000110.3G46 Y62 F64 V80T44-G46 PolarHBondContact O-N 3.07Å; T44-Y62 WeakPolarHBondContact CB-OH 3.45Å; T44-Y62 HydrophobicContact CG2-CE1 4.03Å; T44-Y62 WeakPolarHBondContact CG2-OH 3.36Å; T44-Y62 WeakPolarHBondContact OG1-CE1 3.45Å; T44-Y62 PolarHBondContact OG1-OH 2.96Å; T44-F64 HydrophobicContact CG2-CB 3.89Å; T44-F64 HydrophobicContact CG2-CD1 3.72Å; T44-F64 HydrophobicContact CG2-CD2 3.31Å; T44-F64 HydrophobicContact CG2-CE1 3.99Å; T44-F64 HydrophobicContact CG2-CE2 3.6Å; T44-F64 HydrophobicContact CG2-CG 3.36Å; T44-F64 HydrophobicContact CG2-CZ 3.93Å; T44-V80 CarbonylContact C-O 3.46Å; T44-V80 WeakPolarHBondContact CA-O 3.47Å
45A93.3Very high92Very high24 Ų2469.5 Ų69.520%0.19836%0.364CS..SBendtrans-8454.1177.700000111.3T67 V80A45-T67 PolarHBondContact O-N 3.06Å; A45-V80 PolarHBondContact N-O 2.78Å
46G93.5Very high92.9Very high10 Ų1073.7 Ų73.710%0.10338%0.381CS..EExtended strand (participates in β ladder)trans177.2-174.3-172.200000114T44 V65T44-G46 PolarHBondContact O-N 3.07Å; G46-V65 CarbonylContact C-O 3.59Å; G46-V65 WeakPolarHBondContact CA-O 3.21Å
47Q95.4Very high93.8Very high124 Ų12467.8 Ų67.858%0.57936%0.361SS*.EExtended strand (participates in β ladder)trans-96.9117.1175.4-63.6-56-4600110V49 F64 V65 T67Q47-V49 PolarHBondContact O-N 2.76Å; Q47-F64 CarbonylContact O-C 3.52Å; Q47-F64 VanDerWaalsContact O-CA 3.23Å; Q47-F64 WeakPolarHBondContact O-CA 3.49Å; Q47-F64 WeakPolarHBondContact O-CB 3.37Å; Q47-V65 PolarHBondContact N-O 3.27Å; Q47-V65 PolarHBondContact O-N 3.5Å; Q47-T67 HydrophobicContact CG-CG2 3.95Å
48P97.3Very high94.3Very high85 Ų8566.8 Ų66.855%0.55235%0.354SS*.EExtended strand (participates in β ladder)trans-57.8135.6174.5-21.331.7000111.5Y62P48-Y62 HydrophobicContact CB-CE2 4.15Å; P48-Y62 WeakPolarHBondContact CG-OH 3.43Å
49V97Very high94.6Very high91 Ų9167.2 Ų67.255%0.55236%0.356SS*.EExtended strand (participates in β ladder)trans-111.1-45.9176.6177.80000110.5Q47 A63 V65 L131Q47-V49 PolarHBondContact O-N 2.76Å; V49-A63 PolarHBondContact N-O 3.17Å; V49-V65 HydrophobicContact CG2-CG2 3.64Å; V49-L131 HydrophobicContact CB-CD1 4.39Å; V49-L131 HydrophobicContact CG2-CD1 4.01Å
50Q98Very high94.8Very high89 Ų8967 Ų6742%0.41636%0.355SS..EExtended strand (participates in β ladder)trans-149.8139.8-174.7-169.8170.42700111.3R52 Y61 Y62 A63Q50-R52 HydrophobicContact CG-CG 4.33Å; Q50-Y61 HydrophobicContact CB-CE1 4.08Å; Q50-Y61 HydrophobicContact CG-CD1 4.3Å; Q50-Y61 HydrophobicContact CG-CE1 3.95Å; Q50-Y62 WeakPolarHBondContact O-CA 3.19Å; Q50-Y62 VanDerWaalsContact O-CD2 3.29Å; Q50-Y62 WeakPolarHBondContact O-CD2 3.44Å; Q50-A63 HydrophobicContact CB-CB 4.32Å; Q50-A63 PolarHBondContact N-O 2.94Å; Q50-A63 VanDerWaalsContact N-O 3.12Å; Q50-A63 PolarHBondContact O-N 3.33Å
51L97.6Very high95Very high92 Ų9264.2 Ų64.248%0.48234%0.344SS..EExtended strand (participates in β ladder)trans-136.5128.5176.3177.168.5000108.2P41 F60 Y62P41-L51 HydrophobicContact CG-CD1 4.34Å; L51-F60 HydrophobicContact CD1-CD2 4.41Å; L51-F60 HydrophobicContact CD1-CE2 3.4Å; L51-F60 VanDerWaalsContact CD1-CE2 3.4Å; L51-F60 HydrophobicContact CD1-CZ 3.72Å; L51-Y62 HydrophobicContact CB-CD2 4.26Å; L51-Y62 HydrophobicContact CD1-CD2 3.81Å; L51-Y62 HydrophobicContact CD1-CG 4.41Å
52R96.8Very high95.1Very high165 Ų16562.9 Ų62.962%0.62334%0.335SS*.EExtended strand (participates in β ladder)trans-140.9137.6175-60.9174.262.9174.7-1109.6Q50 Y61Q50-R52 HydrophobicContact CG-CG 4.33Å; R52-Y61 PolarHBondContact N-O 3.04Å; R52-Y61 PolarHBondContact O-N 3.08Å
53F95.2Very high95.2Very high44 Ų4458.6 Ų58.619%0.19332%0.315CS..EExtended strand (participates in β ladder)trans-135.8125.1171.5-177.2-109.3000108.7C38 V55 F60 H90C38-F53 HydrophobicContact CB-CD1 3.65Å; C38-F53 HydrophobicContact CB-CE1 3.87Å; C38-F53 HydrophobicContact CB-CG 4.24Å; C38-F53 WeakPolarHBondContact SG-CD1 3.47Å; F53-V55 HydrophobicContact CD1-CG2 3.95Å; F53-V55 HydrophobicContact CE1-CB 4.46Å; F53-V55 HydrophobicContact CE1-CG2 3.97Å; F53-F60 HydrophobicContact CB-CD2 4.42Å; F53-F60 HydrophobicContact CD2-CB 3.91Å; F53-F60 HydrophobicContact CD2-CD2 4.06Å; F53-F60 HydrophobicContact CE2-CB 4.4Å; F53-H90 AromaticContact CE1-CE1 3.87Å; F53-H90 AromaticContact CE1-NE2 4Å; F53-H90 AromaticContact CZ-CD2 3.81Å; F53-H90 AromaticContact CZ-CE1 3.67Å; F53-H90 AromaticContact CZ-CG 3.77Å; F53-H90 AromaticContact CZ-ND1 3.69Å; F53-H90 AromaticContact CZ-NE2 3.77Å
54D93.5Very high95.3Very high76 Ų7656 Ų5641%0.40630%0.297SS..  trans-97.8111.8173.2178-10.6000108.5D56 S57 G58 V59D54-D56 VanDerWaalsContact C-N 3.28Å; D54-D56 PolarHBondContact O-N 3.19Å; D54-D56 PolarHBondContact OD1-N 3.21Å; D54-S57 VanDerWaalsContact CB-OG 3.29Å; D54-S57 WeakPolarHBondContact CB-OG 3.35Å; D54-S57 PolarHBondContact OD1-N 3.02Å; D54-S57 WeakPolarHBondContact OD2-CB 3.29Å; D54-S57 PolarHBondContact OD2-OG 3Å; D54-G58 WeakPolarHBondContact O-CA 3.36Å; D54-G58 PolarHBondContact O-N 3.31Å; D54-V59 PolarHBondContact N-O 3.45Å; D54-V59 PolarHBondContact O-N 3.13Å
55V88.6Confident95.3Very high46 Ų4657.1 Ų57.128%0.27930%0.303SS..THydrogen-bonded Turntrans-66-33.2-176.6178.80000111.6F53F53-V55 HydrophobicContact CD1-CG2 3.95Å; F53-V55 HydrophobicContact CE1-CB 4.46Å; F53-V55 HydrophobicContact CE1-CG2 3.97Å
56D89.1Confident95.3Very high149 Ų14957.1 Ų57.180%0.79730%0.301SS*.THydrogen-bonded Turntrans-77.3-44.7-175.4-68.8-32.8000110.9D54D54-D56 VanDerWaalsContact C-N 3.28Å; D54-D56 PolarHBondContact O-N 3.19Å; D54-D56 PolarHBondContact OD1-N 3.21Å
57S92.2Very high95Very high48 Ų4860.7 Ų60.734%0.33632%0.321SS..THydrogen-bonded Turntrans-88.6-15.2179.369.80000114.1D54 V59 P138D54-S57 VanDerWaalsContact CB-OG 3.29Å; D54-S57 WeakPolarHBondContact CB-OG 3.35Å; D54-S57 PolarHBondContact OD1-N 3.02Å; D54-S57 WeakPolarHBondContact OD2-CB 3.29Å; D54-S57 PolarHBondContact OD2-OG 3Å; S57-V59 PolarHBondContact O-N 3.02Å; S57-V59 WeakPolarHBondContact OG-CB 3.32Å; S57-V59 WeakPolarHBondContact OG-CG2 3.48Å; S57-V59 PolarHBondContact OG-N 3.36Å; S57-P138 VanDerWaalsContact O-CG 3.32Å; S57-P138 WeakPolarHBondContact O-CG 3.49Å
58G92.5Very high94.2Very high2 Ų259 Ų592%0.02131%0.313CS..  trans68.210.6-172.300000113.7D54 Y91D54-G58 WeakPolarHBondContact O-CA 3.36Å; D54-G58 PolarHBondContact O-N 3.31Å; G58-Y91 VanDerWaalsContact O-CE1 3.26Å; G58-Y91 WeakPolarHBondContact O-CE1 3.32Å; G58-Y91 PolarHBondContact O-OH 3.41Å; G58-Y91 VanDerWaalsContact O-OH 3.08Å
59V96.6Very high92.9Very high48 Ų4860.3 Ų60.329%0.29132%0.316SS..  trans-77.9125.8-179.4177.20000109.7D54 S57 T135 I137D54-V59 PolarHBondContact N-O 3.45Å; D54-V59 PolarHBondContact O-N 3.13Å; S57-V59 PolarHBondContact O-N 3.02Å; S57-V59 WeakPolarHBondContact OG-CB 3.32Å; S57-V59 WeakPolarHBondContact OG-CG2 3.48Å; S57-V59 PolarHBondContact OG-N 3.36Å; V59-T135 HydrophobicContact CG1-CG2 4.27Å; V59-I137 HydrophobicContact CG2-CG2 4.35Å
60F97.6Very high91.8Very high0 Ų061.6 Ų61.60%032%0.32CS..EExtended strand (participates in β ladder)trans-110.9136.1176.2174.2-96.7000110.5T39 L51 F53 Y62 I83 T135 I136T39-F60 HydrophobicContact CG2-CB 3.88Å; T39-F60 HydrophobicContact CG2-CD1 3.81Å; T39-F60 HydrophobicContact CG2-CD2 3.37Å; T39-F60 HydrophobicContact CG2-CE1 4.13Å; T39-F60 HydrophobicContact CG2-CE2 3.68Å; T39-F60 HydrophobicContact CG2-CG 3.39Å; T39-F60 HydrophobicContact CG2-CZ 4.04Å; T39-F60 WeakPolarHBondContact O-CD2 3.41Å; T39-F60 VanDerWaalsContact O-CE2 3.23Å; T39-F60 WeakPolarHBondContact O-CE2 3.41Å; L51-F60 HydrophobicContact CD1-CD2 4.41Å; L51-F60 HydrophobicContact CD1-CE2 3.4Å; L51-F60 VanDerWaalsContact CD1-CE2 3.4Å; L51-F60 HydrophobicContact CD1-CZ 3.72Å; F53-F60 HydrophobicContact CB-CD2 4.42Å; F53-F60 HydrophobicContact CD2-CB 3.91Å; F53-F60 HydrophobicContact CD2-CD2 4.06Å; F53-F60 HydrophobicContact CE2-CB 4.4Å; F60-Y62 VanDerWaalsContact CE1-CB 3.45Å; F60-Y62 HydrophobicContact CE1-CG 4.46Å; F60-Y62 HydrophobicContact CZ-CG 4.21Å; F60-I83 HydrophobicContact CE1-CD1 3.74Å; F60-I83 HydrophobicContact CE1-CG2 3.97Å; F60-I83 HydrophobicContact CZ-CD1 4.22Å; F60-I83 HydrophobicContact CZ-CG2 3.93Å; F60-T135 CarbonylContact O-C 3.57Å; F60-T135 VanDerWaalsContact O-CA 3.28Å; F60-T135 WeakPolarHBondContact O-CA 3.49Å; F60-T135 WeakPolarHBondContact O-CG2 3.47Å; F60-I136 HydrophobicContact CB-CB 4.19Å; F60-I136 HydrophobicContact CD1-CB 4.34Å; F60-I136 HydrophobicContact CD1-CD1 3.77Å; F60-I136 HydrophobicContact CD1-CG1 4Å; F60-I136 HydrophobicContact CE1-CD1 4.27Å; F60-I136 PolarHBondContact N-O 3.42Å; F60-I136 PolarHBondContact O-N 3.1Å
61Y98.3Very high90.9Very high45 Ų4559.3 Ų59.318%0.17631%0.313CS..EExtended strand (participates in β ladder)trans-131.5132.6174.2174.2-91.2000110.1Q50 R52 A63 E133 I134Q50-Y61 HydrophobicContact CB-CE1 4.08Å; Q50-Y61 HydrophobicContact CG-CD1 4.3Å; Q50-Y61 HydrophobicContact CG-CE1 3.95Å; R52-Y61 PolarHBondContact N-O 3.04Å; R52-Y61 PolarHBondContact O-N 3.08Å; Y61-A63 HydrophobicContact CE1-CB 3.93Å; Y61-E133 HydrophobicContact CE2-CB 4.22Å; Y61-E133 VanDerWaalsContact CE2-OE2 3.27Å; Y61-E133 WeakPolarHBondContact CE2-OE2 3.3Å; Y61-E133 VanDerWaalsContact OH-CD 3.23Å; Y61-E133 PolarHBondContact OH-OE2 3.49Å; Y61-I134 WeakPolarHBondContact CA-O 3.29Å
62Y98.6Very high90Very high4 Ų462.2 Ų62.22%0.01634%0.335CS..EExtended strand (participates in β ladder)trans-141.9132.1176.9-177.8-125.7000111.2P41 T44 P48 Q50 L51 F60 F64 I83 E133 I134P41-Y62 HydrophobicContact CB-CD1 4.2Å; P41-Y62 HydrophobicContact CB-CE1 3.77Å; P41-Y62 HydrophobicContact CB-CE2 4.25Å; P41-Y62 HydrophobicContact CG-CD2 4.08Å; P41-Y62 HydrophobicContact CG-CE1 4.17Å; P41-Y62 HydrophobicContact CG-CE2 3.72Å; P41-Y62 HydrophobicContact CG-CG 4.47Å; T44-Y62 WeakPolarHBondContact CB-OH 3.45Å; T44-Y62 HydrophobicContact CG2-CE1 4.03Å; T44-Y62 WeakPolarHBondContact CG2-OH 3.36Å; T44-Y62 WeakPolarHBondContact OG1-CE1 3.45Å; T44-Y62 PolarHBondContact OG1-OH 2.96Å; P48-Y62 HydrophobicContact CB-CE2 4.15Å; P48-Y62 WeakPolarHBondContact CG-OH 3.43Å; Q50-Y62 WeakPolarHBondContact O-CA 3.19Å; Q50-Y62 VanDerWaalsContact O-CD2 3.29Å; Q50-Y62 WeakPolarHBondContact O-CD2 3.44Å; L51-Y62 HydrophobicContact CB-CD2 4.26Å; L51-Y62 HydrophobicContact CD1-CD2 3.81Å; L51-Y62 HydrophobicContact CD1-CG 4.41Å; F60-Y62 VanDerWaalsContact CE1-CB 3.45Å; F60-Y62 HydrophobicContact CE1-CG 4.46Å; F60-Y62 HydrophobicContact CZ-CG 4.21Å; Y62-F64 AromaticContact CD1-CD1 3.86Å; Y62-F64 HydrophobicContact CD1-CD1 3.86Å; Y62-F64 HydrophobicContact CD1-CE1 4.29Å; Y62-F64 HydrophobicContact CE1-CB 4.37Å; Y62-F64 AromaticContact CE1-CD1 3.44Å; Y62-F64 HydrophobicContact CE1-CD1 3.44Å; Y62-F64 VanDerWaalsContact CE1-CD1 3.44Å; Y62-F64 HydrophobicContact CE1-CE1 4.02Å; Y62-F64 HydrophobicContact CE1-CG 4.19Å; Y62-I83 HydrophobicContact CD1-CD1 4.29Å; Y62-E133 CarbonylContact O-C 3.56Å; Y62-E133 WeakPolarHBondContact O-CA 3.49Å; Y62-I134 PolarHBondContact N-O 3.35Å; Y62-I134 PolarHBondContact O-N 3.38Å
63A98.2Very high89.3Confident1 Ų158.3 Ų58.31%0.00833%0.326CS..EExtended strand (participates in β ladder)trans-131.2140.1177.100000111.4V49 Q50 Y61 L131 I132 E133V49-A63 PolarHBondContact N-O 3.17Å; Q50-A63 HydrophobicContact CB-CB 4.32Å; Q50-A63 PolarHBondContact N-O 2.94Å; Q50-A63 VanDerWaalsContact N-O 3.12Å; Q50-A63 PolarHBondContact O-N 3.33Å; Y61-A63 HydrophobicContact CE1-CB 3.93Å; A63-L131 HydrophobicContact CB-CD1 4.25Å; A63-I132 CarbonylContact C-O 3.51Å; A63-I132 WeakPolarHBondContact CA-O 3.32Å; A63-E133 HydrophobicContact CB-CG 4.07Å
64F97.2Very high88.4Confident0 Ų060 Ų600%034%0.34CS..EExtended strand (participates in β ladder)trans-151151.7179.665.6-86.2000112T44 Q47 Y62 V80 A81 I132 I134T44-F64 HydrophobicContact CG2-CB 3.89Å; T44-F64 HydrophobicContact CG2-CD1 3.72Å; T44-F64 HydrophobicContact CG2-CD2 3.31Å; T44-F64 HydrophobicContact CG2-CE1 3.99Å; T44-F64 HydrophobicContact CG2-CE2 3.6Å; T44-F64 HydrophobicContact CG2-CG 3.36Å; T44-F64 HydrophobicContact CG2-CZ 3.93Å; Q47-F64 CarbonylContact O-C 3.52Å; Q47-F64 VanDerWaalsContact O-CA 3.23Å; Q47-F64 WeakPolarHBondContact O-CA 3.49Å; Q47-F64 WeakPolarHBondContact O-CB 3.37Å; Y62-F64 AromaticContact CD1-CD1 3.86Å; Y62-F64 HydrophobicContact CD1-CD1 3.86Å; Y62-F64 HydrophobicContact CD1-CE1 4.29Å; Y62-F64 HydrophobicContact CE1-CB 4.37Å; Y62-F64 AromaticContact CE1-CD1 3.44Å; Y62-F64 HydrophobicContact CE1-CD1 3.44Å; Y62-F64 VanDerWaalsContact CE1-CD1 3.44Å; Y62-F64 HydrophobicContact CE1-CE1 4.02Å; Y62-F64 HydrophobicContact CE1-CG 4.19Å; F64-V80 HydrophobicContact CE2-CB 4.31Å; F64-V80 HydrophobicContact CZ-CB 3.96Å; F64-V80 HydrophobicContact CZ-CG2 4.09Å; F64-A81 HydrophobicContact CE1-CB 4.18Å; F64-A81 HydrophobicContact CZ-CB 4.29Å; F64-I132 HydrophobicContact CD1-CB 4.24Å; F64-I132 HydrophobicContact CD1-CG2 4.3Å; F64-I132 HydrophobicContact CD2-CB 4.42Å; F64-I132 HydrophobicContact CE1-CB 3.8Å; F64-I132 HydrophobicContact CE1-CG2 3.5Å; F64-I132 VanDerWaalsContact CE1-CG2 3.5Å; F64-I132 HydrophobicContact CE2-CB 4.02Å; F64-I132 HydrophobicContact CE2-CD1 3.75Å; F64-I132 HydrophobicContact CE2-CG1 4.35Å; F64-I132 HydrophobicContact CE2-CG2 4.38Å; F64-I132 HydrophobicContact CZ-CB 3.69Å; F64-I132 HydrophobicContact CZ-CD1 3.75Å; F64-I132 HydrophobicContact CZ-CG1 4.29Å; F64-I132 HydrophobicContact CZ-CG2 3.55Å; F64-I132 PolarHBondContact N-O 2.95Å; F64-I132 PolarHBondContact O-N 3.36Å; F64-I134 HydrophobicContact CE1-CD1 4.03Å
65V94.9Very high87.8Confident57 Ų5763.5 Ų63.535%0.34536%0.359SS..EExtended strand (participates in β ladder)trans-87.5119.2172.6-179.70000108.5G46 Q47 V49 T67 E130 L131G46-V65 CarbonylContact C-O 3.59Å; G46-V65 WeakPolarHBondContact CA-O 3.21Å; Q47-V65 PolarHBondContact N-O 3.27Å; Q47-V65 PolarHBondContact O-N 3.5Å; V49-V65 HydrophobicContact CG2-CG2 3.64Å; V65-T67 PolarHBondContact O-N 3.35Å; V65-E130 WeakPolarHBondContact CG2-O 3.2Å; V65-L131 HydrophobicContact CG2-CD1 4.37Å
66P92.6Very high87.8Confident24 Ų2463.1 Ų63.116%0.15636%0.358CS..EExtended strand (participates in β ladder)trans-66.7131.7178.427.8-33.1000110.6I129 I132P66-I129 HydrophobicContact CG-CB 4.36Å; P66-I129 HydrophobicContact CG-CG2 4.11Å; P66-I129 WeakPolarHBondContact CG-O 3.48Å; P66-I132 HydrophobicContact CB-CD1 4.07Å; P66-I132 HydrophobicContact CG-CD1 4.2Å; P66-I132 HydrophobicContact CG-CG1 4.34Å
67T89Confident87.8Confident85 Ų8559.8 Ų59.852%0.52134%0.343SS..  trans-94-18.6175.349.10000112.5A45 Q47 V65 N69A45-T67 PolarHBondContact O-N 3.06Å; Q47-T67 HydrophobicContact CG-CG2 3.95Å; V65-T67 PolarHBondContact O-N 3.35Å; T67-N69 PolarHBondContact O-N 3.33Å
68Q77.1Confident87.8Confident87 Ų8758.9 Ų58.941%0.40734%0.335SS..  trans-89.2110.5-177.9-167.7163.814.600110.7L78Q68-L78 HydrophobicContact CB-CD2 4.08Å; Q68-L78 HydrophobicContact CG-CD2 3.83Å
69N71.1Confident87.8Confident113 Ų11361.3 Ų61.360%0.60435%0.347SS*.  trans-106.53.7-178.262.9-10.9000113.5T67 I125T67-N69 PolarHBondContact O-N 3.33Å; N69-I125 WeakPolarHBondContact O-CG2 3.43Å
70N74.4Confident87.7Confident119 Ų11959.2 Ų59.264%0.63633%0.334SS*.  trans-124.6128.4-175.2-72.4-22.6000110.4
71C79.3Confident87.6Confident41 Ų4159.2 Ų59.228%0.27733%0.334SS..  trans-130.2132.2167.1178.10000110N73 S76 C122 I125C71-N73 PolarHBondContact SG-O 3.49Å; C71-S76 PolarHBondContact SG-OG 3.03Å; C71-C122 HydrophobicContact CB-CB 3.49Å; C71-C122 VanDerWaalsContact CB-CB 3.49Å; C71-C122 WeakPolarHBondContact CB-SG 3.34Å; C71-C122 WeakPolarHBondContact SG-CB 3.45Å; C71-C122 CovalentContact SG-SG 2.01Å; C71-C122 PolarHBondContact SG-SG 2.97Å; C71-I125 HydrophobicContact CB-CD1 3.37Å
72T77.9Confident87.6Confident153 Ų15359.4 Ų59.494%0.93934%0.337SS*.SBendtrans-76.8-29-173.550.70000112.7
73N80.9Confident87.5Confident83 Ų8359.2 Ų59.244%0.44434%0.336SS..  trans-126114.9179.7-177.6-8.4000110.8C71 N75 S76C71-N73 PolarHBondContact SG-O 3.49Å; N73-N75 PolarHBondContact O-N 3.06Å; N73-N75 VanDerWaalsContact O-N 3.15Å; N73-N75 PolarHBondContact OD1-N 2.76Å; N73-S76 WeakPolarHBondContact O-CB 3.24Å; N73-S76 PolarHBondContact O-N 3.21Å; N73-S76 PolarHBondContact O-OG 3.39Å
74V76.8Confident87.3Confident80 Ų8061.5 Ų61.549%0.48535%0.346SS..THydrogen-bonded Turntrans-58.9-26.8-179.7-66.60000114.1S76V74-S76 VanDerWaalsContact C-N 3.31Å
75N81.1Confident87.2Confident148 Ų14861.5 Ų61.579%0.79135%0.346SS*.THydrogen-bonded Turntrans-88.81.4178.5-65.3-24.1000112.9N73N73-N75 PolarHBondContact O-N 3.06Å; N73-N75 VanDerWaalsContact O-N 3.15Å; N73-N75 PolarHBondContact OD1-N 2.76Å
76S88Confident87Confident39 Ų3959 Ų5927%0.27333%0.33SS..SBendtrans-92.1166.817871.10000112C71 N73 V74 C122C71-S76 PolarHBondContact SG-OG 3.03Å; N73-S76 WeakPolarHBondContact O-CB 3.24Å; N73-S76 PolarHBondContact O-N 3.21Å; N73-S76 PolarHBondContact O-OG 3.39Å; V74-S76 VanDerWaalsContact C-N 3.31Å; S76-C122 WeakPolarHBondContact O-CB 3.41Å; S76-C122 PolarHBondContact O-N 2.99Å; S76-C122 PolarHBondContact O-SG 3.12Å; S76-C122 PolarHBondContact OG-SG 2.98Å; S76-C122 VanDerWaalsContact OG-SG 3.37Å
77T90.5Very high86.8Confident78 Ų7859.6 Ų59.648%0.47933%0.332SS..EExtended strand (participates in β ladder)trans-114143.3171.755.60000108.4M120T77-M120 WeakPolarHBondContact CA-O 3.3Å
78L91.3Very high86.7Confident30 Ų3060.2 Ų60.216%0.15734%0.339CS..EExtended strand (participates in β ladder)trans-103.6130.3179-179.966.7000109.2Q68 V80 Y119 M120 I125Q68-L78 HydrophobicContact CB-CD2 4.08Å; Q68-L78 HydrophobicContact CG-CD2 3.83Å; L78-V80 HydrophobicContact CD2-CG1 4.39Å; L78-V80 HydrophobicContact CG-CG1 4.4Å; L78-V80 PolarHBondContact O-N 3.07Å; L78-Y119 CarbonylContact O-C 3.6Å; L78-Y119 WeakPolarHBondContact O-CA 3.15Å; L78-M120 HydrophobicContact CD2-CE 4.4Å; L78-M120 PolarHBondContact N-O 2.91Å; L78-M120 PolarHBondContact O-N 2.89Å; L78-I125 HydrophobicContact CD2-CD1 4.16Å
79L93.1Very high87.2Confident53 Ų5358 Ų5828%0.27733%0.33SS..EExtended strand (participates in β ladder)trans-69.4120.6170.5-17968.1000108.9E82 F117 F118 Y119L79-E82 HydrophobicContact CD1-CG 4.39Å; L79-E82 HydrophobicContact CD2-CG 4.06Å; L79-E82 WeakPolarHBondContact CD2-OE1 3.4Å; L79-F117 HydrophobicContact CD1-CB 3.9Å; L79-F117 HydrophobicContact CD1-CD1 4.03Å; L79-F117 HydrophobicContact CD1-CG 4.49Å; L79-F117 HydrophobicContact CD2-CD1 4.48Å; L79-F118 WeakPolarHBondContact CD1-O 3.5Å; L79-Y119 HydrophobicContact CB-CD1 3.99Å; L79-Y119 HydrophobicContact CB-CE1 3.8Å; L79-Y119 HydrophobicContact CD1-CD1 4.11Å; L79-Y119 HydrophobicContact CD1-CE1 3.67Å; L79-Y119 HydrophobicContact CD1-CE2 4.29Å; L79-Y119 HydrophobicContact CG-CE1 4.3Å
80V94.3Very high88Confident3 Ų353.3 Ų53.32%0.01830%0.304CS..EExtended strand (participates in β ladder)trans-111.5-25.1-176.5-65.20000113.7T44 A45 F64 L78 L104 F118 M120 I132T44-V80 CarbonylContact C-O 3.46Å; T44-V80 WeakPolarHBondContact CA-O 3.47Å; A45-V80 PolarHBondContact N-O 2.78Å; F64-V80 HydrophobicContact CE2-CB 4.31Å; F64-V80 HydrophobicContact CZ-CB 3.96Å; F64-V80 HydrophobicContact CZ-CG2 4.09Å; L78-V80 HydrophobicContact CD2-CG1 4.39Å; L78-V80 HydrophobicContact CG-CG1 4.4Å; L78-V80 PolarHBondContact O-N 3.07Å; V80-L104 HydrophobicContact CG2-CD2 4.24Å; V80-F118 HydrophobicContact CG2-CB 4.21Å; V80-F118 WeakPolarHBondContact CG2-O 3.49Å; V80-F118 PolarHBondContact N-O 3.44Å; V80-M120 HydrophobicContact CG1-CB 3.62Å; V80-M120 HydrophobicContact CG1-CE 4.07Å; V80-M120 HydrophobicContact CG2-CB 4.39Å; V80-I132 HydrophobicContact CB-CD1 4.36Å; V80-I132 HydrophobicContact CG1-CD1 4.33Å; V80-I132 HydrophobicContact CG2-CD1 4.39Å
81A96.2Very high88.8Confident0 Ų047.8 Ų47.80%028%0.275CS..EExtended strand (participates in β ladder)trans-154.8147.317500000111.9S43 F64 I83 F118 I134S43-A81 WeakPolarHBondContact O-CA 3.23Å; F64-A81 HydrophobicContact CE1-CB 4.18Å; F64-A81 HydrophobicContact CZ-CB 4.29Å; A81-I83 HydrophobicContact CB-CG1 4.39Å; A81-F118 HydrophobicContact CB-CB 4.31Å; A81-F118 HydrophobicContact CB-CD2 4.39Å; A81-F118 PolarHBondContact N-O 3.44Å; A81-F118 PolarHBondContact O-N 2.92Å; A81-I134 HydrophobicContact CB-CD1 4.11Å
82E96.6Very high89.2Confident50 Ų5050 Ų5023%0.23429%0.288CS..EExtended strand (participates in β ladder)trans-118125.2167.4-57.1176.6-158.700107.3P41 Q42 S43 L79 F117P41-E82 CarbonylContact C-O 3.57Å; Q42-E82 HydrophobicContact CB-CB 4.49Å; Q42-E82 PolarHBondContact N-O 3.01Å; S43-E82 PolarHBondContact N-O 3.32Å; S43-E82 PolarHBondContact O-N 3.45Å; L79-E82 HydrophobicContact CD1-CG 4.39Å; L79-E82 HydrophobicContact CD2-CG 4.06Å; L79-E82 WeakPolarHBondContact CD2-OE1 3.4Å; E82-F117 HydrophobicContact CG-CD1 3.77Å; E82-F117 HydrophobicContact CG-CE1 3.88Å
83I97.2Very high89.8Confident0 Ų047.1 Ų47.10%026%0.264CS..EExtended strand (participates in β ladder)trans-124128.4-174.7-53.4-170.5000108.8T39 Y40 F60 Y62 A81 V85 L115 M116 F118 I134 I136T39-I83 HydrophobicContact CG2-CG2 3.63Å; Y40-I83 WeakPolarHBondContact O-CG2 3.2Å; F60-I83 HydrophobicContact CE1-CD1 3.74Å; F60-I83 HydrophobicContact CE1-CG2 3.97Å; F60-I83 HydrophobicContact CZ-CD1 4.22Å; F60-I83 HydrophobicContact CZ-CG2 3.93Å; Y62-I83 HydrophobicContact CD1-CD1 4.29Å; A81-I83 HydrophobicContact CB-CG1 4.39Å; I83-V85 HydrophobicContact CB-CG2 4.29Å; I83-V85 HydrophobicContact CG2-CG2 3.85Å; I83-L115 WeakPolarHBondContact O-CA 3.3Å; I83-M116 PolarHBondContact N-O 3.39Å; I83-M116 PolarHBondContact O-N 2.91Å; I83-F118 HydrophobicContact CB-CE2 3.89Å; I83-F118 HydrophobicContact CD1-CD2 3.85Å; I83-F118 HydrophobicContact CD1-CE2 3.44Å; I83-F118 VanDerWaalsContact CD1-CE2 3.44Å; I83-F118 HydrophobicContact CD1-CZ 4.13Å; I83-F118 HydrophobicContact CG1-CD2 3.88Å; I83-F118 HydrophobicContact CG1-CE2 3.58Å; I83-I134 HydrophobicContact CD1-CD1 4.11Å; I83-I134 HydrophobicContact CD1-CG2 3.99Å; I83-I136 HydrophobicContact CG2-CD1 4.33Å
84F94.7Very high90.4Very high49 Ų4944.1 Ų44.122%0.21525%0.253CS..EExtended strand (participates in β ladder)trans-77119.3169.1179.2-99.1000109.7T39 Y40 Q42 P86 N114 L115T39-F84 VanDerWaalsContact CA-O 3.24Å; T39-F84 WeakPolarHBondContact CA-O 2.96Å; T39-F84 VanDerWaalsContact CG2-O 3.3Å; T39-F84 WeakPolarHBondContact CG2-O 3.48Å; Y40-F84 HydrophobicContact CD1-CB 4.12Å; Y40-F84 AromaticContact CD1-CD1 3.8Å; Y40-F84 HydrophobicContact CD1-CD1 3.8Å; Y40-F84 HydrophobicContact CD1-CG 4.36Å; Y40-F84 HydrophobicContact CE1-CB 3.76Å; Y40-F84 AromaticContact CE1-CD1 3.27Å; Y40-F84 HydrophobicContact CE1-CD1 3.27Å; Y40-F84 HydrophobicContact CE1-CE1 4.07Å; Y40-F84 AromaticContact CE1-CG 3.72Å; Y40-F84 HydrophobicContact CE1-CG 3.72Å; Y40-F84 HydrophobicContact CE2-CB 4.2Å; Y40-F84 HydrophobicContact CG-CB 4.47Å; Y40-F84 PolarHBondContact N-O 3.06Å; Y40-F84 VanDerWaalsContact N-O 3.07Å; Y40-F84 PolarHBondContact O-N 3.13Å; Q42-F84 HydrophobicContact CG-CB 3.84Å; F84-P86 HydrophobicContact CD1-CG 4.37Å; F84-P86 HydrophobicContact CE1-CB 3.9Å; F84-P86 HydrophobicContact CE1-CG 3.81Å; F84-P86 HydrophobicContact CZ-CB 4.13Å; F84-N114 CarbonylContact C-O 2.94Å; F84-N114 WeakPolarHBondContact CA-O 3.35Å; F84-N114 HydrophobicContact CD2-CB 4.13Å; F84-N114 WeakPolarHBondContact CD2-O 3.37Å; F84-N114 HydrophobicContact CE2-CB 3.68Å; F84-N114 HydrophobicContact CZ-CB 4.38Å; F84-L115 HydrophobicContact CB-CD2 4.25Å; F84-L115 HydrophobicContact CD2-CD2 4.13Å
85V94.1Very high91.2Very high0 Ų041.3 Ų41.30%024%0.236CC..  trans-128.396.8-175-173.30000107.9T39 I83 M87 Y91 N114 M116 I136T39-V85 HydrophobicContact CG2-CG2 3.93Å; I83-V85 HydrophobicContact CB-CG2 4.29Å; I83-V85 HydrophobicContact CG2-CG2 3.85Å; V85-M87 VanDerWaalsContact C-N 3.28Å; V85-M87 HydrophobicContact CG1-CG 4.45Å; V85-M87 HydrophobicContact CG1-SD 3.72Å; V85-M87 PolarHBondContact O-N 2.87Å; V85-Y91 HydrophobicContact CG1-CD2 3.5Å; V85-Y91 VanDerWaalsContact CG1-CD2 3.5Å; V85-Y91 HydrophobicContact CG1-CE2 3.32Å; V85-Y91 HydrophobicContact CG1-CG 4.35Å; V85-N114 PolarHBondContact N-O 2.94Å; V85-N114 CarbonylContact O-C 3.55Å; V85-N114 WeakPolarHBondContact O-CA 3.12Å; V85-N114 PolarHBondContact O-OD1 3.41Å; V85-M116 HydrophobicContact CB-CG 4.09Å; V85-M116 HydrophobicContact CB-SD 4.3Å; V85-M116 HydrophobicContact CG1-SD 4.22Å; V85-M116 HydrophobicContact CG2-CB 4.01Å; V85-M116 HydrophobicContact CG2-CG 3.54Å; V85-M116 HydrophobicContact CG2-SD 3.71Å; V85-I136 HydrophobicContact CG2-CD1 3.87Å
86P89.9Confident91.9Very high4 Ų440.4 Ų40.43%0.02623%0.225CC..  trans-71.984.7-179.323-25.5000110.9S37 F84 S88 I89 H90S37-P86 WeakPolarHBondContact O-CG 3.3Å; F84-P86 HydrophobicContact CD1-CG 4.37Å; F84-P86 HydrophobicContact CE1-CB 3.9Å; F84-P86 HydrophobicContact CE1-CG 3.81Å; F84-P86 HydrophobicContact CZ-CB 4.13Å; P86-S88 VanDerWaalsContact C-N 3.31Å; P86-S88 PolarHBondContact O-N 3.27Å; P86-I89 HydrophobicContact CB-CB 4.44Å; P86-I89 HydrophobicContact CB-CD1 4.32Å; P86-I89 PolarHBondContact O-N 3.27Å; P86-I89 VanDerWaalsContact O-N 3.07Å; P86-H90 PolarHBondContact O-N 3.26Å
87M89.7Confident92.3Very high37 Ų3740.2 Ų40.218%0.18222%0.222CC..Hα-helixtrans-57.6-41.9-169-71.1-65.1-74.700112.3V85 I89 Y91 V95 T113 N114V85-M87 VanDerWaalsContact C-N 3.28Å; V85-M87 HydrophobicContact CG1-CG 4.45Å; V85-M87 HydrophobicContact CG1-SD 3.72Å; V85-M87 PolarHBondContact O-N 2.87Å; M87-I89 PolarHBondContact O-N 3.49Å; M87-Y91 CarbonylContact O-C 3.13Å; M87-Y91 VanDerWaalsContact O-CA 3.3Å; M87-Y91 WeakPolarHBondContact O-CA 3.41Å; M87-Y91 PolarHBondContact O-N 3.42Å; M87-Y91 HydrophobicContact SD-CD2 4.3Å; M87-Y91 HydrophobicContact SD-CG 4.35Å; M87-V95 HydrophobicContact CE-CG1 4.12Å; M87-V95 HydrophobicContact SD-CG1 3.92Å; M87-T113 WeakPolarHBondContact CG-O 3.45Å; M87-N114 PolarHBondContact N-OD1 3.49Å
88S87.3Confident92.6Very high98 Ų9845 Ų4569%0.68523%0.232SC*.Hα-helixtrans-67.7-17.3-178.356.50000114.4P86P86-S88 VanDerWaalsContact C-N 3.31Å; P86-S88 PolarHBondContact O-N 3.27Å
89I86.4Confident92.9Very high39 Ų3944.9 Ų44.920%0.223%0.229CC..Hα-helixtrans-101.6-50.5-173.1-60.7177.6000111.1L33 K34 S37 P86 M87L33-I89 HydrophobicContact CD2-CD1 3.98Å; L33-I89 HydrophobicContact CG-CD1 4.42Å; K34-I89 HydrophobicContact CB-CG2 4.44Å; K34-I89 HydrophobicContact CG-CG2 3.83Å; S37-I89 WeakPolarHBondContact OG-CD1 3.24Å; P86-I89 HydrophobicContact CB-CB 4.44Å; P86-I89 HydrophobicContact CB-CD1 4.32Å; P86-I89 PolarHBondContact O-N 3.27Å; P86-I89 VanDerWaalsContact O-N 3.07Å; M87-I89 PolarHBondContact O-N 3.49Å
90H87.6Confident92.9Very high16 Ų1646.7 Ų46.77%0.07424%0.238CC..Hα-helixtrans-107.2-16-174.7-67.1-78000113.9K34 S37 F53 P86 P92K34-H90 PolarHBondContact O-NE2 3.25Å; K34-H90 VanDerWaalsContact O-NE2 3.16Å; S37-H90 PolarHBondContact O-CD2 2.94Å; S37-H90 PolarHBondContact O-NE2 2.91Å; F53-H90 AromaticContact CE1-CE1 3.87Å; F53-H90 AromaticContact CE1-NE2 4Å; F53-H90 AromaticContact CZ-CD2 3.81Å; F53-H90 AromaticContact CZ-CE1 3.67Å; F53-H90 AromaticContact CZ-CG 3.77Å; F53-H90 AromaticContact CZ-ND1 3.69Å; F53-H90 AromaticContact CZ-NE2 3.77Å; P86-H90 PolarHBondContact O-N 3.26Å; H90-P92 VanDerWaalsContact C-CD 3.44Å
91Y91Very high92.9Very high3 Ų347.6 Ų47.61%0.01224%0.244CC..  trans-13448.6-171.9-46.1-83.6000113.1T39 G58 V85 M87 H93 G94 V95 I136 P138T39-Y91 WeakPolarHBondContact OG1-CE2 3.44Å; T39-Y91 PolarHBondContact OG1-OH 3.16Å; G58-Y91 VanDerWaalsContact O-CE1 3.26Å; G58-Y91 WeakPolarHBondContact O-CE1 3.32Å; G58-Y91 PolarHBondContact O-OH 3.41Å; G58-Y91 VanDerWaalsContact O-OH 3.08Å; V85-Y91 HydrophobicContact CG1-CD2 3.5Å; V85-Y91 VanDerWaalsContact CG1-CD2 3.5Å; V85-Y91 HydrophobicContact CG1-CE2 3.32Å; V85-Y91 HydrophobicContact CG1-CG 4.35Å; M87-Y91 CarbonylContact O-C 3.13Å; M87-Y91 VanDerWaalsContact O-CA 3.3Å; M87-Y91 WeakPolarHBondContact O-CA 3.41Å; M87-Y91 PolarHBondContact O-N 3.42Å; M87-Y91 HydrophobicContact SD-CD2 4.3Å; M87-Y91 HydrophobicContact SD-CG 4.35Å; Y91-H93 PolarHBondContact O-N 2.82Å; Y91-H93 VanDerWaalsContact O-N 3.08Å; Y91-G94 PolarHBondContact O-N 3.46Å; Y91-V95 HydrophobicContact CD1-CG1 3.45Å; Y91-V95 VanDerWaalsContact CD1-CG1 3.45Å; Y91-V95 HydrophobicContact CD2-CG1 4.42Å; Y91-V95 HydrophobicContact CE1-CG1 4.12Å; Y91-V95 HydrophobicContact CG-CG1 3.6Å; Y91-I136 HydrophobicContact CD1-CG2 4.42Å; Y91-I136 HydrophobicContact CE1-CG2 3.78Å; Y91-P138 HydrophobicContact CD1-CB 3.98Å; Y91-P138 HydrophobicContact CD1-CG 3.65Å; Y91-P138 HydrophobicContact CE1-CG 3.71Å
92P88.5Confident92.8Very high86 Ų8655.6 Ų55.656%0.55828%0.282SS*.THydrogen-bonded Turntrans-61.5-23.1-172.925.3-35.1000113.9H90H90-P92 VanDerWaalsContact C-CD 3.44Å
93H91.4Very high92.6Very high93 Ų9358.6 Ų58.643%0.43130%0.296SS..THydrogen-bonded Turntrans-106.316.1178.4-43.1114.7000112.5Y91 N139 N141Y91-H93 PolarHBondContact O-N 2.82Å; Y91-H93 VanDerWaalsContact O-N 3.08Å; H93-N139 HydrophobicContact CB-CB 4.23Å; H93-N139 VanDerWaalsContact O-CB 3.32Å; H93-N139 WeakPolarHBondContact O-CB 3.44Å; H93-N139 PolarHBondContact O-ND2 3.34Å; H93-N141 PolarHBondContact CD2-OD1 3.04Å; H93-N141 PolarHBondContact CE1-ND2 3.28Å; H93-N141 PolarHBondContact CE1-OD1 2.89Å; H93-N141 PolarHBondContact ND1-OD1 3.46Å; H93-N141 PolarHBondContact NE2-ND2 3.36Å; H93-N141 PolarHBondContact NE2-OD1 3.42Å; H93-N141 VanDerWaalsContact NE2-OD1 3.12Å
94G92Very high92.5Very high21 Ų2159.1 Ų59.122%0.21630%0.299CS..  trans86.1-170.4-176.300000113.9Y91 N139Y91-G94 PolarHBondContact O-N 3.46Å; G94-N139 PolarHBondContact O-N 3.09Å
95V94.1Very high92.5Very high20 Ų2059.1 Ų59.112%0.12131%0.305CS..EExtended strand (participates in β ladder)trans-127.2148.5-171-59.80000112M87 Y91 T97 M116 I136 I137M87-V95 HydrophobicContact CE-CG1 4.12Å; M87-V95 HydrophobicContact SD-CG1 3.92Å; Y91-V95 HydrophobicContact CD1-CG1 3.45Å; Y91-V95 VanDerWaalsContact CD1-CG1 3.45Å; Y91-V95 HydrophobicContact CD2-CG1 4.42Å; Y91-V95 HydrophobicContact CE1-CG1 4.12Å; Y91-V95 HydrophobicContact CG-CG1 3.6Å; V95-T97 HydrophobicContact CG2-CG2 4.44Å; V95-M116 HydrophobicContact CG2-CE 3.93Å; V95-M116 HydrophobicContact CG2-SD 4.22Å; V95-I136 HydrophobicContact CB-CG2 3.85Å; V95-I136 HydrophobicContact CG1-CG2 3.7Å; V95-I137 CarbonylContact C-O 3.41Å; V95-I137 WeakPolarHBondContact CA-O 3.36Å
96K95.6Very high92.6Very high129 Ų12963.3 Ų63.356%0.56132%0.321SS*.EExtended strand (participates in β ladder)trans-104.6142.7156.7-83.9157.3-170-176.70108.3I137 N139K96-I137 HydrophobicContact CB-CB 4.36Å; K96-I137 PolarHBondContact N-O 3.43Å; K96-I137 PolarHBondContact O-N 3.28Å; K96-N139 WeakPolarHBondContact CD-OD1 3.49Å; K96-N139 VanDerWaalsContact CE-OD1 3.24Å; K96-N139 WeakPolarHBondContact CE-OD1 3.38Å; K96-N139 WeakPolarHBondContact CG-OD1 3.26Å
97T96.1Very high92.9Very high35 Ų3568.5 Ų68.522%0.21534%0.344CS..EExtended strand (participates in β ladder)trans-118.8149.5176.556.30000111V95 F99 Y106 M116 T135 I136V95-T97 HydrophobicContact CG2-CG2 4.44Å; T97-F99 HydrophobicContact CG2-CE1 4.18Å; T97-F99 HydrophobicContact CG2-CZ 3.92Å; T97-F99 VanDerWaalsContact OG1-CZ 3.26Å; T97-F99 WeakPolarHBondContact OG1-CZ 3.38Å; T97-Y106 HydrophobicContact CG2-CD1 4.12Å; T97-Y106 HydrophobicContact CG2-CE1 3.84Å; T97-Y106 WeakPolarHBondContact OG1-CE1 3.13Å; T97-M116 HydrophobicContact CG2-CE 4.01Å; T97-T135 CarbonylContact C-O 3.5Å; T97-T135 VanDerWaalsContact CA-O 3.29Å; T97-T135 WeakPolarHBondContact CA-O 3.34Å; T97-I136 HydrophobicContact CG2-CG1 4.49Å
98R97.5Very high93Very high180 Ų18069.6 Ų69.668%0.67935%0.352SS*.EExtended strand (participates in β ladder)trans-131.9136.1168.7-60.8-179.6179.6174.3-1108.4T135 I137R98-T135 PolarHBondContact N-O 2.9Å; R98-T135 PolarHBondContact O-N 3.06Å; R98-I137 HydrophobicContact CG-CD1 4.32Å
99F96.7Very high92.9Very high26 Ų2669.6 Ų69.611%0.11434%0.338CS..EExtended strand (participates in β ladder)trans-127.6143.9-174.8-53.3-44.7000111.7T97 P101 L104 Y106 F118 E133 I134T97-F99 HydrophobicContact CG2-CE1 4.18Å; T97-F99 HydrophobicContact CG2-CZ 3.92Å; T97-F99 VanDerWaalsContact OG1-CZ 3.26Å; T97-F99 WeakPolarHBondContact OG1-CZ 3.38Å; F99-P101 CarbonylContact C-O 3.6Å; F99-P101 VanDerWaalsContact CB-O 3.31Å; F99-P101 WeakPolarHBondContact CB-O 3.37Å; F99-L104 HydrophobicContact CB-CB 3.84Å; F99-L104 HydrophobicContact CD1-CB 4.44Å; F99-L104 HydrophobicContact CD2-CB 3.66Å; F99-L104 WeakPolarHBondContact CD2-O 3.32Å; F99-L104 HydrophobicContact CE2-CB 4.33Å; F99-L104 HydrophobicContact CG-CB 3.73Å; F99-Y106 AromaticContact CE2-CD1 3.89Å; F99-Y106 HydrophobicContact CE2-CD1 3.89Å; F99-Y106 AromaticContact CZ-CD1 3.58Å; F99-Y106 HydrophobicContact CZ-CD1 3.58Å; F99-Y106 HydrophobicContact CZ-CE1 4.33Å; F99-Y106 HydrophobicContact CZ-CG 4.29Å; F99-F118 AromaticContact CE1-CD1 3.71Å; F99-F118 HydrophobicContact CE1-CD1 3.71Å; F99-F118 AromaticContact CE1-CE1 3.45Å; F99-F118 HydrophobicContact CE1-CE1 3.45Å; F99-F118 VanDerWaalsContact CE1-CE1 3.45Å; F99-F118 AromaticContact CZ-CD1 3.89Å; F99-F118 HydrophobicContact CZ-CD1 3.89Å; F99-F118 AromaticContact CZ-CE1 3.68Å; F99-F118 HydrophobicContact CZ-CE1 3.68Å; F99-E133 WeakPolarHBondContact CA-O 3.26Å; F99-I134 HydrophobicContact CD1-CG1 4.26Å; F99-I134 HydrophobicContact CD1-CG2 4.46Å; F99-I134 HydrophobicContact CE1-CG2 4.15Å
100I95.1Very high92.5Very high91 Ų9177 Ų7747%0.46737%0.371SS..EExtended strand (participates in β ladder)trans-125.2122160.8-58.9177000105.9I132 E133I100-I132 CarbonylContact O-C 3.48Å; I100-I132 VanDerWaalsContact O-CA 3.26Å; I100-I132 WeakPolarHBondContact O-CA 2.95Å; I100-E133 HydrophobicContact CB-CB 4Å; I100-E133 HydrophobicContact CB-CG 4.2Å; I100-E133 HydrophobicContact CG1-CB 4.46Å; I100-E133 PolarHBondContact N-O 3.03Å; I100-E133 PolarHBondContact O-N 3.46Å
101P93.5Very high92Very high22 Ų2283.2 Ų83.214%0.14341%0.405CS..SBendcis-65.1156.5-1027.5-33.1000113.1F99 Q103 L104 L124 I129F99-P101 CarbonylContact C-O 3.6Å; F99-P101 VanDerWaalsContact CB-O 3.31Å; F99-P101 WeakPolarHBondContact CB-O 3.37Å; P101-Q103 PolarHBondContact O-N 2.87Å; P101-L104 HydrophobicContact CB-CD1 4.44Å; P101-L104 VanDerWaalsContact CD-CD1 3.44Å; P101-L104 HydrophobicContact CG-CD1 3.52Å; P101-L104 WeakPolarHBondContact O-CD1 3.2Å; P101-L104 PolarHBondContact O-N 3.29Å; P101-L124 HydrophobicContact CB-CD1 4.14Å; P101-L124 HydrophobicContact CG-CD1 3.67Å; P101-I129 HydrophobicContact CG-CD1 3.73Å; P101-I129 HydrophobicContact CG-CG1 4.36Å; P101-I129 HydrophobicContact CG-CG2 4.49Å
102E94.4Very high91.2Very high169 Ų16986.1 Ų86.179%0.7942%0.421SS*.THydrogen-bonded Turntrans-66.8-21.7-172.9-67.4-175.4167.800114.1L104E102-L104 PolarHBondContact O-N 2.87Å
103Q92.6Very high90.7Very high113 Ų11385.6 Ų85.653%0.52842%0.416SS..THydrogen-bonded Turntrans-79.14.4-175.7-50.782.5-16.700113.3P101 P121 L124P101-Q103 PolarHBondContact O-N 2.87Å; Q103-P121 HydrophobicContact CB-CG 4.12Å; Q103-P121 VanDerWaalsContact O-CD 3.23Å; Q103-P121 WeakPolarHBondContact O-CD 3.48Å; Q103-L124 HydrophobicContact CB-CD1 3.77Å; Q103-L124 HydrophobicContact CB-CG 4.38Å; Q103-L124 HydrophobicContact CG-CD1 4.45Å
104L94.4Very high90.6Very high10 Ų1083.5 Ų83.55%0.05241%0.408CS..  trans-61.9149.1168-87.382.2000110.2V80 F99 P101 E102 Y119 I132 I134V80-L104 HydrophobicContact CG2-CD2 4.24Å; F99-L104 HydrophobicContact CB-CB 3.84Å; F99-L104 HydrophobicContact CD1-CB 4.44Å; F99-L104 HydrophobicContact CD2-CB 3.66Å; F99-L104 WeakPolarHBondContact CD2-O 3.32Å; F99-L104 HydrophobicContact CE2-CB 4.33Å; F99-L104 HydrophobicContact CG-CB 3.73Å; P101-L104 HydrophobicContact CB-CD1 4.44Å; P101-L104 VanDerWaalsContact CD-CD1 3.44Å; P101-L104 HydrophobicContact CG-CD1 3.52Å; P101-L104 WeakPolarHBondContact O-CD1 3.2Å; P101-L104 PolarHBondContact O-N 3.29Å; E102-L104 PolarHBondContact O-N 2.87Å; L104-Y119 WeakPolarHBondContact CA-O 3.37Å; L104-I132 HydrophobicContact CD1-CG2 4.44Å; L104-I132 HydrophobicContact CD2-CG2 3.6Å; L104-I134 HydrophobicContact CD2-CG1 4.37Å
105S95.2Very high90.7Very high50 Ų5083.3 Ų83.335%0.3540%0.402SS..EExtended strand (participates in β ladder)trans-126.4160.617260.80000109.4F118 Y119S105-F118 CarbonylContact O-C 3.53Å; S105-F118 WeakPolarHBondContact O-CA 3.2Å; S105-Y119 PolarHBondContact N-O 2.92Å; S105-Y119 PolarHBondContact O-N 3.02Å
106Y95.9Very high90.7Very high88 Ų8882.4 Ų82.435%0.34540%0.397SS..EExtended strand (participates in β ladder)trans-134.7157175.173.8-85.2000111.4T97 F99 V108 M116 F117 F118T97-Y106 HydrophobicContact CG2-CD1 4.12Å; T97-Y106 HydrophobicContact CG2-CE1 3.84Å; T97-Y106 WeakPolarHBondContact OG1-CE1 3.13Å; F99-Y106 AromaticContact CE2-CD1 3.89Å; F99-Y106 HydrophobicContact CE2-CD1 3.89Å; F99-Y106 AromaticContact CZ-CD1 3.58Å; F99-Y106 HydrophobicContact CZ-CD1 3.58Å; F99-Y106 HydrophobicContact CZ-CE1 4.33Å; F99-Y106 HydrophobicContact CZ-CG 4.29Å; Y106-V108 HydrophobicContact CD2-CG2 4.14Å; Y106-V108 HydrophobicContact CE2-CG2 4.16Å; Y106-M116 HydrophobicContact CD2-CE 3.09Å; Y106-M116 HydrophobicContact CE2-CE 3.28Å; Y106-M116 HydrophobicContact CG-CE 3.77Å; Y106-F117 CarbonylContact C-O 3.59Å; Y106-F117 WeakPolarHBondContact CA-O 3.06Å; Y106-F118 HydrophobicContact CG-CE1 4.38Å
107K94.8Very high90.8Very high113 Ų11377.7 Ų77.749%0.49138%0.376SS..EExtended strand (participates in β ladder)trans-132.2145.4171.2-65-175.9178.71780110.2Y109 F117 Y119K107-Y109 HydrophobicContact CB-CE2 4.47Å; K107-F117 PolarHBondContact N-O 3.49Å; K107-F117 PolarHBondContact O-N 3.28Å; K107-Y119 HydrophobicContact CB-CE2 4.15Å; K107-Y119 HydrophobicContact CD-CE2 4.14Å; K107-Y119 HydrophobicContact CG-CE2 4.1Å
108V91.9Very high90.8Very high59 Ų5976 Ų7636%0.35837%0.366SS..EExtended strand (participates in β ladder)trans-121.6127.1169.2-173.10000106.1Y106 M116Y106-V108 HydrophobicContact CD2-CG2 4.14Å; Y106-V108 HydrophobicContact CE2-CG2 4.16Å; V108-M116 HydrophobicContact CG2-CE 4.06Å; V108-M116 HydrophobicContact CG2-CG 3.85Å
109Y85.5Confident90.6Very high99 Ų9968.9 Ų68.939%0.38834%0.339SS..EExtended strand (participates in β ladder)trans-94.3137.9-179.2-66.8-83.1000110.2K107 N111 N112 T113 F117 Y119K107-Y109 HydrophobicContact CB-CE2 4.47Å; Y109-N111 VanDerWaalsContact CB-OD1 3.27Å; Y109-N111 WeakPolarHBondContact CB-OD1 3.41Å; Y109-N111 PolarHBondContact O-N 2.91Å; Y109-N112 CarbonylContact O-C 3.59Å; Y109-N112 PolarHBondContact O-N 3.35Å; Y109-T113 PolarHBondContact O-N 3.36Å; Y109-F117 AromaticContact CD2-CD2 3.52Å; Y109-F117 HydrophobicContact CD2-CD2 3.52Å; Y109-F117 AromaticContact CD2-CE2 3.49Å; Y109-F117 HydrophobicContact CD2-CE2 3.49Å; Y109-F117 VanDerWaalsContact CD2-CE2 3.49Å; Y109-F117 HydrophobicContact CD2-CG 4.41Å; Y109-F117 HydrophobicContact CD2-CZ 4.35Å; Y109-F117 AromaticContact CE2-CD2 3.56Å; Y109-F117 HydrophobicContact CE2-CD2 3.56Å; Y109-F117 AromaticContact CE2-CE2 3.85Å; Y109-F117 HydrophobicContact CE2-CE2 3.85Å; Y109-F117 HydrophobicContact CE2-CG 4.01Å; Y109-F117 HydrophobicContact CE2-CZ 4.49Å; Y109-Y119 PolarHBondContact OH-OH 3.18Å
110E78.3Confident90.4Very high193 Ų19367.8 Ų67.890%0.90233%0.334SS*.THydrogen-bonded Turntrans-58.4-32.9-175.8-65.4-177.5172.600113.2N112E110-N112 VanDerWaalsContact C-N 3.28Å; E110-N112 PolarHBondContact O-N 3.33Å
111N78.1Confident90.2Very high148 Ų14864.6 Ų64.679%0.79132%0.32SS*.THydrogen-bonded Turntrans-74.9-15.5179.265.7-11.6000113.7Y109Y109-N111 VanDerWaalsContact CB-OD1 3.27Å; Y109-N111 WeakPolarHBondContact CB-OD1 3.41Å; Y109-N111 PolarHBondContact O-N 2.91Å
112N73.5Confident90Very high64 Ų6463.9 Ų63.934%0.34232%0.315SS..EExtended strand (participates in β ladder)trans-146.877.2178.3-166-13000110.1Y109 E110 N114 L115Y109-N112 CarbonylContact O-C 3.59Å; Y109-N112 PolarHBondContact O-N 3.35Å; E110-N112 VanDerWaalsContact C-N 3.28Å; E110-N112 PolarHBondContact O-N 3.33Å; N112-N114 PolarHBondContact O-N 3.46Å; N112-N114 PolarHBondContact OD1-N 3.42Å; N112-L115 WeakPolarHBondContact ND2-CD1 3.27Å; N112-L115 WeakPolarHBondContact ND2-CG 2.99Å; N112-L115 PolarHBondContact O-N 2.86Å
113T77.8Confident89.5Confident75 Ų7560.1 Ų60.146%0.4630%0.304SS..EExtended strand (participates in β ladder)trans-63.2-14.4-179.855.50000113.1M87 Y109M87-T113 WeakPolarHBondContact CG-O 3.45Å; Y109-T113 PolarHBondContact O-N 3.36Å
114N89.8Confident89.2Confident49 Ų4955.4 Ų55.426%0.26228%0.282SS..EExtended strand (participates in β ladder)trans-89.94.1180-62.9-40.7000113.9F84 V85 M87 N112F84-N114 CarbonylContact C-O 2.94Å; F84-N114 WeakPolarHBondContact CA-O 3.35Å; F84-N114 HydrophobicContact CD2-CB 4.13Å; F84-N114 WeakPolarHBondContact CD2-O 3.37Å; F84-N114 HydrophobicContact CE2-CB 3.68Å; F84-N114 HydrophobicContact CZ-CB 4.38Å; V85-N114 PolarHBondContact N-O 2.94Å; V85-N114 CarbonylContact O-C 3.55Å; V85-N114 WeakPolarHBondContact O-CA 3.12Å; V85-N114 PolarHBondContact O-OD1 3.41Å; M87-N114 PolarHBondContact N-OD1 3.49Å; N112-N114 PolarHBondContact O-N 3.46Å; N112-N114 PolarHBondContact OD1-N 3.42Å
115L93Very high88.3Confident17 Ų1756.1 Ų56.19%0.08929%0.286CS..EExtended strand (participates in β ladder)trans-118.9130.4175.5-65-175.4000111.6Q42 I83 F84 N112 F117Q42-L115 HydrophobicContact CG-CD2 4.49Å; I83-L115 WeakPolarHBondContact O-CA 3.3Å; F84-L115 HydrophobicContact CB-CD2 4.25Å; F84-L115 HydrophobicContact CD2-CD2 4.13Å; N112-L115 WeakPolarHBondContact ND2-CD1 3.27Å; N112-L115 WeakPolarHBondContact ND2-CG 2.99Å; N112-L115 PolarHBondContact O-N 2.86Å; L115-F117 HydrophobicContact CB-CD2 4.38Å; L115-F117 HydrophobicContact CB-CE2 3.59Å; L115-F117 HydrophobicContact CB-CZ 3.98Å; L115-F117 HydrophobicContact CD1-CE2 4.3Å; L115-F117 HydrophobicContact CD1-CZ 3.87Å
116M95.8Very high87.2Confident0 Ų061.9 Ų61.90%031%0.305CS..EExtended strand (participates in β ladder)trans-109.2127168.1-63.2-168.272.900109.5I83 V85 V95 T97 Y106 V108 F118 I136I83-M116 PolarHBondContact N-O 3.39Å; I83-M116 PolarHBondContact O-N 2.91Å; V85-M116 HydrophobicContact CB-CG 4.09Å; V85-M116 HydrophobicContact CB-SD 4.3Å; V85-M116 HydrophobicContact CG1-SD 4.22Å; V85-M116 HydrophobicContact CG2-CB 4.01Å; V85-M116 HydrophobicContact CG2-CG 3.54Å; V85-M116 HydrophobicContact CG2-SD 3.71Å; V95-M116 HydrophobicContact CG2-CE 3.93Å; V95-M116 HydrophobicContact CG2-SD 4.22Å; T97-M116 HydrophobicContact CG2-CE 4.01Å; Y106-M116 HydrophobicContact CD2-CE 3.09Å; Y106-M116 HydrophobicContact CE2-CE 3.28Å; Y106-M116 HydrophobicContact CG-CE 3.77Å; V108-M116 HydrophobicContact CG2-CE 4.06Å; V108-M116 HydrophobicContact CG2-CG 3.85Å; M116-F118 HydrophobicContact CB-CD2 4.43Å; M116-F118 HydrophobicContact CB-CE2 3.5Å; M116-F118 HydrophobicContact CB-CZ 3.77Å; M116-F118 HydrophobicContact CE-CZ 4.07Å; M116-F118 HydrophobicContact SD-CZ 4.26Å; M116-I136 HydrophobicContact SD-CD1 3.9Å; M116-I136 HydrophobicContact SD-CG2 4.46Å
117F96.3Very high86.3Confident30 Ų3061.9 Ų61.913%0.13231%0.314CS..EExtended strand (participates in β ladder)trans-105.7122.5178.9-63.2-95.4000108.9L79 E82 Y106 K107 Y109 L115 Y119L79-F117 HydrophobicContact CD1-CB 3.9Å; L79-F117 HydrophobicContact CD1-CD1 4.03Å; L79-F117 HydrophobicContact CD1-CG 4.49Å; L79-F117 HydrophobicContact CD2-CD1 4.48Å; E82-F117 HydrophobicContact CG-CD1 3.77Å; E82-F117 HydrophobicContact CG-CE1 3.88Å; Y106-F117 CarbonylContact C-O 3.59Å; Y106-F117 WeakPolarHBondContact CA-O 3.06Å; K107-F117 PolarHBondContact N-O 3.49Å; K107-F117 PolarHBondContact O-N 3.28Å; Y109-F117 AromaticContact CD2-CD2 3.52Å; Y109-F117 HydrophobicContact CD2-CD2 3.52Å; Y109-F117 AromaticContact CD2-CE2 3.49Å; Y109-F117 HydrophobicContact CD2-CE2 3.49Å; Y109-F117 VanDerWaalsContact CD2-CE2 3.49Å; Y109-F117 HydrophobicContact CD2-CG 4.41Å; Y109-F117 HydrophobicContact CD2-CZ 4.35Å; Y109-F117 AromaticContact CE2-CD2 3.56Å; Y109-F117 HydrophobicContact CE2-CD2 3.56Å; Y109-F117 AromaticContact CE2-CE2 3.85Å; Y109-F117 HydrophobicContact CE2-CE2 3.85Å; Y109-F117 HydrophobicContact CE2-CG 4.01Å; Y109-F117 HydrophobicContact CE2-CZ 4.49Å; L115-F117 HydrophobicContact CB-CD2 4.38Å; L115-F117 HydrophobicContact CB-CE2 3.59Å; L115-F117 HydrophobicContact CB-CZ 3.98Å; L115-F117 HydrophobicContact CD1-CE2 4.3Å; L115-F117 HydrophobicContact CD1-CZ 3.87Å; F117-Y119 HydrophobicContact CB-CE2 3.59Å; F117-Y119 WeakPolarHBondContact O-CE2 3.3Å
118F95.8Very high85.5Confident0 Ų063 Ų630%033%0.325CS..EExtended strand (participates in β ladder)trans-107131-176.5-64.1-92.1000110.6L79 V80 A81 I83 F99 S105 Y106 M116 I134 I136L79-F118 WeakPolarHBondContact CD1-O 3.5Å; V80-F118 HydrophobicContact CG2-CB 4.21Å; V80-F118 WeakPolarHBondContact CG2-O 3.49Å; V80-F118 PolarHBondContact N-O 3.44Å; A81-F118 HydrophobicContact CB-CB 4.31Å; A81-F118 HydrophobicContact CB-CD2 4.39Å; A81-F118 PolarHBondContact N-O 3.44Å; A81-F118 PolarHBondContact O-N 2.92Å; I83-F118 HydrophobicContact CB-CE2 3.89Å; I83-F118 HydrophobicContact CD1-CD2 3.85Å; I83-F118 HydrophobicContact CD1-CE2 3.44Å; I83-F118 VanDerWaalsContact CD1-CE2 3.44Å; I83-F118 HydrophobicContact CD1-CZ 4.13Å; I83-F118 HydrophobicContact CG1-CD2 3.88Å; I83-F118 HydrophobicContact CG1-CE2 3.58Å; F99-F118 AromaticContact CE1-CD1 3.71Å; F99-F118 HydrophobicContact CE1-CD1 3.71Å; F99-F118 AromaticContact CE1-CE1 3.45Å; F99-F118 HydrophobicContact CE1-CE1 3.45Å; F99-F118 VanDerWaalsContact CE1-CE1 3.45Å; F99-F118 AromaticContact CZ-CD1 3.89Å; F99-F118 HydrophobicContact CZ-CD1 3.89Å; F99-F118 AromaticContact CZ-CE1 3.68Å; F99-F118 HydrophobicContact CZ-CE1 3.68Å; S105-F118 CarbonylContact O-C 3.53Å; S105-F118 WeakPolarHBondContact O-CA 3.2Å; Y106-F118 HydrophobicContact CG-CE1 4.38Å; M116-F118 HydrophobicContact CB-CD2 4.43Å; M116-F118 HydrophobicContact CB-CE2 3.5Å; M116-F118 HydrophobicContact CB-CZ 3.77Å; M116-F118 HydrophobicContact CE-CZ 4.07Å; M116-F118 HydrophobicContact SD-CZ 4.26Å; F118-I134 HydrophobicContact CB-CD1 3.95Å; F118-I134 HydrophobicContact CD1-CD1 3.85Å; F118-I134 HydrophobicContact CD1-CG1 4.2Å; F118-I134 HydrophobicContact CD1-CG2 4.14Å; F118-I134 HydrophobicContact CD2-CD1 4.01Å; F118-I134 HydrophobicContact CE1-CD1 4.41Å; F118-I134 HydrophobicContact CE1-CG2 3.64Å; F118-I134 HydrophobicContact CE2-CG2 4.32Å; F118-I134 HydrophobicContact CG-CD1 3.64Å; F118-I134 HydrophobicContact CG-CG1 4.48Å; F118-I134 HydrophobicContact CZ-CG2 3.73Å; F118-I136 HydrophobicContact CZ-CD1 4.02Å; F118-I136 HydrophobicContact CZ-CG1 4.38Å
119Y94.6Very high85.1Confident30 Ų3061.8 Ų61.812%0.11832%0.316CS..EExtended strand (participates in β ladder)trans-124137-174.1-59.5-90.7000111.4L78 L79 L104 S105 K107 Y109 F117L78-Y119 CarbonylContact O-C 3.6Å; L78-Y119 WeakPolarHBondContact O-CA 3.15Å; L79-Y119 HydrophobicContact CB-CD1 3.99Å; L79-Y119 HydrophobicContact CB-CE1 3.8Å; L79-Y119 HydrophobicContact CD1-CD1 4.11Å; L79-Y119 HydrophobicContact CD1-CE1 3.67Å; L79-Y119 HydrophobicContact CD1-CE2 4.29Å; L79-Y119 HydrophobicContact CG-CE1 4.3Å; L104-Y119 WeakPolarHBondContact CA-O 3.37Å; S105-Y119 PolarHBondContact N-O 2.92Å; S105-Y119 PolarHBondContact O-N 3.02Å; K107-Y119 HydrophobicContact CB-CE2 4.15Å; K107-Y119 HydrophobicContact CD-CE2 4.14Å; K107-Y119 HydrophobicContact CG-CE2 4.1Å; Y109-Y119 PolarHBondContact OH-OH 3.18Å; F117-Y119 HydrophobicContact CB-CE2 3.59Å; F117-Y119 WeakPolarHBondContact O-CE2 3.3Å
120M92.6Very high85.3Confident3 Ų364.7 Ų64.72%0.01533%0.334CS..EExtended strand (participates in β ladder)trans-106.4128.8173.5-177.2176.261.600109.6T77 L78 V80 L124 I125 I129 I132T77-M120 WeakPolarHBondContact CA-O 3.3Å; L78-M120 HydrophobicContact CD2-CE 4.4Å; L78-M120 PolarHBondContact N-O 2.91Å; L78-M120 PolarHBondContact O-N 2.89Å; V80-M120 HydrophobicContact CG1-CB 3.62Å; V80-M120 HydrophobicContact CG1-CE 4.07Å; V80-M120 HydrophobicContact CG2-CB 4.39Å; M120-L124 HydrophobicContact CG-CB 4.05Å; M120-L124 HydrophobicContact CG-CD1 4.05Å; M120-L124 HydrophobicContact SD-CB 4.32Å; M120-I125 HydrophobicContact CE-CD1 4.16Å; M120-I125 HydrophobicContact CE-CG1 3.52Å; M120-I129 HydrophobicContact SD-CD1 3.46Å; M120-I129 WeakPolarHBondContact SD-CD1 3.43Å; M120-I132 HydrophobicContact SD-CD1 4Å
121P91.3Very high86.1Confident25 Ų2558.2 Ų58.216%0.16231%0.305CS..EExtended strand (participates in β ladder)trans-63.9138.2173.527.6-35.2000110.5Q103 T123 L124Q103-P121 HydrophobicContact CB-CG 4.12Å; Q103-P121 VanDerWaalsContact O-CD 3.23Å; Q103-P121 WeakPolarHBondContact O-CD 3.48Å; P121-T123 PolarHBondContact O-N 3.39Å; P121-T123 VanDerWaalsContact O-N 3.11Å; P121-L124 HydrophobicContact CG-CB 4.37Å; P121-L124 HydrophobicContact CG-CD1 3.87Å; P121-L124 HydrophobicContact CG-CG 3.95Å; P121-L124 WeakPolarHBondContact O-CB 3.29Å; P121-L124 PolarHBondContact O-N 3.43Å
122C88.1Confident86.9Confident6 Ų651.2 Ų51.24%0.04127%0.267CS..G310 helixtrans-66-17.6-177.3-70.80000114.2C71 S76 L124 I125C71-C122 HydrophobicContact CB-CB 3.49Å; C71-C122 VanDerWaalsContact CB-CB 3.49Å; C71-C122 WeakPolarHBondContact CB-SG 3.34Å; C71-C122 WeakPolarHBondContact SG-CB 3.45Å; C71-C122 CovalentContact SG-SG 2.01Å; C71-C122 PolarHBondContact SG-SG 2.97Å; S76-C122 WeakPolarHBondContact O-CB 3.41Å; S76-C122 PolarHBondContact O-N 2.99Å; S76-C122 PolarHBondContact O-SG 3.12Å; S76-C122 PolarHBondContact OG-SG 2.98Å; S76-C122 VanDerWaalsContact OG-SG 3.37Å; C122-L124 PolarHBondContact O-N 3.42Å; C122-I125 HydrophobicContact CB-CD1 4.25Å; C122-I125 WeakPolarHBondContact O-CB 3.49Å; C122-I125 PolarHBondContact O-N 3.2Å
123T85.4Confident88.1Confident90 Ų9050.2 Ų50.255%0.55226%0.26SS*.G310 helixtrans-59.4-29.417152.50000112.9P121P121-T123 PolarHBondContact O-N 3.39Å; P121-T123 VanDerWaalsContact O-N 3.11Å
124L84.5Confident89Confident15 Ų1546.6 Ų46.68%0.07924%0.238CC..G310 helixtrans-78.1-19.6178.8-85.9-172.8000114P101 Q103 M120 P121 C122 K126 T127 I129P101-L124 HydrophobicContact CB-CD1 4.14Å; P101-L124 HydrophobicContact CG-CD1 3.67Å; Q103-L124 HydrophobicContact CB-CD1 3.77Å; Q103-L124 HydrophobicContact CB-CG 4.38Å; Q103-L124 HydrophobicContact CG-CD1 4.45Å; M120-L124 HydrophobicContact CG-CB 4.05Å; M120-L124 HydrophobicContact CG-CD1 4.05Å; M120-L124 HydrophobicContact SD-CB 4.32Å; P121-L124 HydrophobicContact CG-CB 4.37Å; P121-L124 HydrophobicContact CG-CD1 3.87Å; P121-L124 HydrophobicContact CG-CG 3.95Å; P121-L124 WeakPolarHBondContact O-CB 3.29Å; P121-L124 PolarHBondContact O-N 3.43Å; C122-L124 PolarHBondContact O-N 3.42Å; L124-K126 PolarHBondContact O-N 3.44Å; L124-T127 PolarHBondContact O-N 2.98Å; L124-T127 PolarHBondContact O-OG1 3.42Å; L124-I129 HydrophobicContact CB-CD1 3.65Å; L124-I129 HydrophobicContact CD1-CD1 4.05Å; L124-I129 HydrophobicContact CD2-CD1 4.4Å; L124-I129 HydrophobicContact CG-CD1 4.26Å
125I76.4Confident89.4Confident24 Ų2445.7 Ų45.712%0.12323%0.234CC..G310 helixtrans-63.5-28.8-177-72.2170.6000111.8N69 C71 L78 M120 C122 T127N69-I125 WeakPolarHBondContact O-CG2 3.43Å; C71-I125 HydrophobicContact CB-CD1 3.37Å; L78-I125 HydrophobicContact CD2-CD1 4.16Å; M120-I125 HydrophobicContact CE-CD1 4.16Å; M120-I125 HydrophobicContact CE-CG1 3.52Å; C122-I125 HydrophobicContact CB-CD1 4.25Å; C122-I125 WeakPolarHBondContact O-CB 3.49Å; C122-I125 PolarHBondContact O-N 3.2Å; I125-T127 PolarHBondContact O-N 3.2Å
126K71.3Confident89.7Confident172 Ų17244.9 Ų44.975%0.74823%0.23SC*.G310 helixtrans-74.5-10178.7-64-173.2179.5-177.30113.9L124L124-K126 PolarHBondContact O-N 3.44Å
127T77.8Confident89.7Confident88 Ų8846.5 Ų46.554%0.5424%0.239SC..G310 helixtrans-93.813-173.467.30000113.6L124 I125L124-T127 PolarHBondContact O-N 2.98Å; L124-T127 PolarHBondContact O-OG1 3.42Å; I125-T127 PolarHBondContact O-N 3.2Å
128N77.3Confident89.7Confident137 Ų13745.7 Ų45.773%0.73324%0.237SC*.  trans49.161.1-176.8-68.8-13.5000112.1E130N128-E130 PolarHBondContact O-N 2.94Å; N128-E130 VanDerWaalsContact O-N 3.13Å
129I84Confident89.6Confident32 Ų3247.9 Ų47.916%0.16425%0.248CC..  trans-66.3115.2175.5-65.5167.9000108.9P66 P101 M120 L124 L131 I132P66-I129 HydrophobicContact CG-CB 4.36Å; P66-I129 HydrophobicContact CG-CG2 4.11Å; P66-I129 WeakPolarHBondContact CG-O 3.48Å; P101-I129 HydrophobicContact CG-CD1 3.73Å; P101-I129 HydrophobicContact CG-CG1 4.36Å; P101-I129 HydrophobicContact CG-CG2 4.49Å; M120-I129 HydrophobicContact SD-CD1 3.46Å; M120-I129 WeakPolarHBondContact SD-CD1 3.43Å; L124-I129 HydrophobicContact CB-CD1 3.65Å; L124-I129 HydrophobicContact CD1-CD1 4.05Å; L124-I129 HydrophobicContact CD2-CD1 4.4Å; L124-I129 HydrophobicContact CG-CD1 4.26Å; I129-L131 VanDerWaalsContact CG2-O 3.29Å; I129-L131 WeakPolarHBondContact CG2-O 3.31Å; I129-I132 HydrophobicContact CG2-CG1 3.93Å
130E89.5Confident89.2Confident161 Ų16153.7 Ų53.775%0.75228%0.276SS*.  trans-84.4-25.6179.4-61.1-175.7163.600112.2V65 N128V65-E130 WeakPolarHBondContact CG2-O 3.2Å; N128-E130 PolarHBondContact O-N 2.94Å; N128-E130 VanDerWaalsContact O-N 3.13Å
131L94.3Very high88.1Confident57 Ų5762.4 Ų62.430%0.29832%0.323SS..  trans-150.8136.1-175-165.668.4000111V49 A63 V65 I129 E133V49-L131 HydrophobicContact CB-CD1 4.39Å; V49-L131 HydrophobicContact CG2-CD1 4.01Å; A63-L131 HydrophobicContact CB-CD1 4.25Å; V65-L131 HydrophobicContact CG2-CD1 4.37Å; I129-L131 VanDerWaalsContact CG2-O 3.29Å; I129-L131 WeakPolarHBondContact CG2-O 3.31Å; L131-E133 HydrophobicContact CD2-CG 3.89Å; L131-E133 WeakPolarHBondContact CD2-OE1 3.28Å; L131-E133 HydrophobicContact CG-CG 4.09Å
132I95.6Very high87.9Confident0 Ų064.3 Ų64.30%033%0.331CS..EExtended strand (participates in β ladder)trans-109.7128.8166.7-65.5176.9000107.8A63 F64 P66 V80 I100 L104 M120 I129 I134A63-I132 CarbonylContact C-O 3.51Å; A63-I132 WeakPolarHBondContact CA-O 3.32Å; F64-I132 HydrophobicContact CD1-CB 4.24Å; F64-I132 HydrophobicContact CD1-CG2 4.3Å; F64-I132 HydrophobicContact CD2-CB 4.42Å; F64-I132 HydrophobicContact CE1-CB 3.8Å; F64-I132 HydrophobicContact CE1-CG2 3.5Å; F64-I132 VanDerWaalsContact CE1-CG2 3.5Å; F64-I132 HydrophobicContact CE2-CB 4.02Å; F64-I132 HydrophobicContact CE2-CD1 3.75Å; F64-I132 HydrophobicContact CE2-CG1 4.35Å; F64-I132 HydrophobicContact CE2-CG2 4.38Å; F64-I132 HydrophobicContact CZ-CB 3.69Å; F64-I132 HydrophobicContact CZ-CD1 3.75Å; F64-I132 HydrophobicContact CZ-CG1 4.29Å; F64-I132 HydrophobicContact CZ-CG2 3.55Å; F64-I132 PolarHBondContact N-O 2.95Å; F64-I132 PolarHBondContact O-N 3.36Å; P66-I132 HydrophobicContact CB-CD1 4.07Å; P66-I132 HydrophobicContact CG-CD1 4.2Å; P66-I132 HydrophobicContact CG-CG1 4.34Å; V80-I132 HydrophobicContact CB-CD1 4.36Å; V80-I132 HydrophobicContact CG1-CD1 4.33Å; V80-I132 HydrophobicContact CG2-CD1 4.39Å; I100-I132 CarbonylContact O-C 3.48Å; I100-I132 VanDerWaalsContact O-CA 3.26Å; I100-I132 WeakPolarHBondContact O-CA 2.95Å; L104-I132 HydrophobicContact CD1-CG2 4.44Å; L104-I132 HydrophobicContact CD2-CG2 3.6Å; M120-I132 HydrophobicContact SD-CD1 4Å; I129-I132 HydrophobicContact CG2-CG1 3.93Å; I132-I134 HydrophobicContact CG2-CD1 4.48Å; I132-I134 HydrophobicContact CG2-CG1 4.28Å
133E98.1Very high87.9Confident43 Ų4367.3 Ų67.320%0.20135%0.346CS..EExtended strand (participates in β ladder)trans-119.9131.3174.7-50.6-175.1-149.200110.3Y61 Y62 A63 F99 I100 L131Y61-E133 HydrophobicContact CE2-CB 4.22Å; Y61-E133 VanDerWaalsContact CE2-OE2 3.27Å; Y61-E133 WeakPolarHBondContact CE2-OE2 3.3Å; Y61-E133 VanDerWaalsContact OH-CD 3.23Å; Y61-E133 PolarHBondContact OH-OE2 3.49Å; Y62-E133 CarbonylContact O-C 3.56Å; Y62-E133 WeakPolarHBondContact O-CA 3.49Å; A63-E133 HydrophobicContact CB-CG 4.07Å; F99-E133 WeakPolarHBondContact CA-O 3.26Å; I100-E133 HydrophobicContact CB-CB 4Å; I100-E133 HydrophobicContact CB-CG 4.2Å; I100-E133 HydrophobicContact CG1-CB 4.46Å; I100-E133 PolarHBondContact N-O 3.03Å; I100-E133 PolarHBondContact O-N 3.46Å; L131-E133 HydrophobicContact CD2-CG 3.89Å; L131-E133 WeakPolarHBondContact CD2-OE1 3.28Å; L131-E133 HydrophobicContact CG-CG 4.09Å
134I98.3Very high88.1Confident0 Ų066.1 Ų66.10%034%0.335CS..EExtended strand (participates in β ladder)trans-123118.6178.3-65.8167.9000107.4Y61 Y62 F64 A81 I83 F99 L104 F118 I132 I136Y61-I134 WeakPolarHBondContact CA-O 3.29Å; Y62-I134 PolarHBondContact N-O 3.35Å; Y62-I134 PolarHBondContact O-N 3.38Å; F64-I134 HydrophobicContact CE1-CD1 4.03Å; A81-I134 HydrophobicContact CB-CD1 4.11Å; I83-I134 HydrophobicContact CD1-CD1 4.11Å; I83-I134 HydrophobicContact CD1-CG2 3.99Å; F99-I134 HydrophobicContact CD1-CG1 4.26Å; F99-I134 HydrophobicContact CD1-CG2 4.46Å; F99-I134 HydrophobicContact CE1-CG2 4.15Å; L104-I134 HydrophobicContact CD2-CG1 4.37Å; F118-I134 HydrophobicContact CB-CD1 3.95Å; F118-I134 HydrophobicContact CD1-CD1 3.85Å; F118-I134 HydrophobicContact CD1-CG1 4.2Å; F118-I134 HydrophobicContact CD1-CG2 4.14Å; F118-I134 HydrophobicContact CD2-CD1 4.01Å; F118-I134 HydrophobicContact CE1-CD1 4.41Å; F118-I134 HydrophobicContact CE1-CG2 3.64Å; F118-I134 HydrophobicContact CE2-CG2 4.32Å; F118-I134 HydrophobicContact CG-CD1 3.64Å; F118-I134 HydrophobicContact CG-CG1 4.48Å; F118-I134 HydrophobicContact CZ-CG2 3.73Å; I132-I134 HydrophobicContact CG2-CD1 4.48Å; I132-I134 HydrophobicContact CG2-CG1 4.28Å; I134-I136 HydrophobicContact CG2-CG1 4.16Å
135T98.2Very high88.3Confident29 Ų2969.1 Ų69.118%0.17835%0.35CS..EExtended strand (participates in β ladder)trans-114.4128.7170.3-50.10000109.5V59 F60 T97 R98 I137V59-T135 HydrophobicContact CG1-CG2 4.27Å; F60-T135 CarbonylContact O-C 3.57Å; F60-T135 VanDerWaalsContact O-CA 3.28Å; F60-T135 WeakPolarHBondContact O-CA 3.49Å; F60-T135 WeakPolarHBondContact O-CG2 3.47Å; T97-T135 CarbonylContact C-O 3.5Å; T97-T135 VanDerWaalsContact CA-O 3.29Å; T97-T135 WeakPolarHBondContact CA-O 3.34Å; R98-T135 PolarHBondContact N-O 2.9Å; R98-T135 PolarHBondContact O-N 3.06Å; T135-I137 HydrophobicContact CG2-CD1 4.18Å; T135-I137 HydrophobicContact CG2-CG1 3.84Å
136I97.7Very high89Confident0 Ų071.9 Ų71.90%036%0.364CS..EExtended strand (participates in β ladder)trans-114.5125.9174.2-51.8170.5000107.4T39 F60 I83 V85 Y91 V95 T97 M116 F118 I134T39-I136 HydrophobicContact CG2-CD1 4.28Å; F60-I136 HydrophobicContact CB-CB 4.19Å; F60-I136 HydrophobicContact CD1-CB 4.34Å; F60-I136 HydrophobicContact CD1-CD1 3.77Å; F60-I136 HydrophobicContact CD1-CG1 4Å; F60-I136 HydrophobicContact CE1-CD1 4.27Å; F60-I136 PolarHBondContact N-O 3.42Å; F60-I136 PolarHBondContact O-N 3.1Å; I83-I136 HydrophobicContact CG2-CD1 4.33Å; V85-I136 HydrophobicContact CG2-CD1 3.87Å; Y91-I136 HydrophobicContact CD1-CG2 4.42Å; Y91-I136 HydrophobicContact CE1-CG2 3.78Å; V95-I136 HydrophobicContact CB-CG2 3.85Å; V95-I136 HydrophobicContact CG1-CG2 3.7Å; T97-I136 HydrophobicContact CG2-CG1 4.49Å; M116-I136 HydrophobicContact SD-CD1 3.9Å; M116-I136 HydrophobicContact SD-CG2 4.46Å; F118-I136 HydrophobicContact CZ-CD1 4.02Å; F118-I136 HydrophobicContact CZ-CG1 4.38Å; I134-I136 HydrophobicContact CG2-CG1 4.16Å
137I97Very high90.2Very high34 Ų3465.2 Ų65.217%0.17434%0.338CS..EExtended strand (participates in β ladder)trans-124.4130.6-174-54.2174000107.6V59 V95 K96 R98 T135V59-I137 HydrophobicContact CG2-CG2 4.35Å; V95-I137 CarbonylContact C-O 3.41Å; V95-I137 WeakPolarHBondContact CA-O 3.36Å; K96-I137 HydrophobicContact CB-CB 4.36Å; K96-I137 PolarHBondContact N-O 3.43Å; K96-I137 PolarHBondContact O-N 3.28Å; R98-I137 HydrophobicContact CG-CD1 4.32Å; T135-I137 HydrophobicContact CG2-CD1 4.18Å; T135-I137 HydrophobicContact CG2-CG1 3.84Å
138P95.1Very high91.1Very high14 Ų1463.6 Ų63.69%0.09132%0.324CS..EExtended strand (participates in β ladder)trans-60.8139.5173.1-23.134.2000112.4S57 Y91 Q140S57-P138 VanDerWaalsContact O-CG 3.32Å; S57-P138 WeakPolarHBondContact O-CG 3.49Å; Y91-P138 HydrophobicContact CD1-CB 3.98Å; Y91-P138 HydrophobicContact CD1-CG 3.65Å; Y91-P138 HydrophobicContact CE1-CG 3.71Å; P138-Q140 PolarHBondContact O-N 3.25Å
139N94.4Very high92.1Very high45 Ų4557.9 Ų57.924%0.24129%0.293CS..PPolyproline II helixtrans-64.7130.2165.2-78.2-22.8000109.6H93 G94 K96H93-N139 HydrophobicContact CB-CB 4.23Å; H93-N139 VanDerWaalsContact O-CB 3.32Å; H93-N139 WeakPolarHBondContact O-CB 3.44Å; H93-N139 PolarHBondContact O-ND2 3.34Å; G94-N139 PolarHBondContact O-N 3.09Å; K96-N139 WeakPolarHBondContact CD-OD1 3.49Å; K96-N139 VanDerWaalsContact CE-OD1 3.24Å; K96-N139 WeakPolarHBondContact CE-OD1 3.38Å; K96-N139 WeakPolarHBondContact CG-OD1 3.26Å
140Q85.8Confident92.8Very high152 Ų15260.1 Ų60.171%0.7130%0.303SS*.PPolyproline II helixtrans-74.3144.7170.4-57.4-61-38.300109P138P138-Q140 PolarHBondContact O-N 3.25Å
141N69.7Low93.1Very high186 Ų18650.9 Ų50.9100%0.99526%0.263SS*.  trans-69.10165.8-88.8-14.8000111.8H93H93-N141 PolarHBondContact CD2-OD1 3.04Å; H93-N141 PolarHBondContact CE1-ND2 3.28Å; H93-N141 PolarHBondContact CE1-OD1 2.89Å; H93-N141 PolarHBondContact ND1-OD1 3.46Å; H93-N141 PolarHBondContact NE2-ND2 3.36Å; H93-N141 PolarHBondContact NE2-OD1 3.42Å; H93-N141 VanDerWaalsContact NE2-OD1 3.12Å

Retrieved 141 of 141 residues in 223.1 ms (Link to these results)

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