A0A096NRS0_PAPAN Loading...

1-acyl-sn-glycerol-3-phosphate acyltransferase

Converts 1-acyl-sn-glycerol-3-phosphate (lysophosphatidic acid or LPA) into 1,2-diacyl-sn-glycerol-3-phosphate (phosphatidic acid or PA) by incorporating an acyl moiety at the sn-2 position of the glycerol backbone.

AlphaFold DB , UniProt , Accession A0A096NRS0, Species PAPAN (Papio anubis, Olive baboon), Gene AGPAT2, Length 278 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
1M64.4Low83.6Confident226 Ų226109.7 Ų109.7100%1.11360%0.599SS**  01190-77.5170.254.900107.6L3M1-L3 PolarHBondContact O-N 3.43Å
2E75.9Confident83.9Confident152 Ų152110.4 Ų110.471%0.7160%0.6SS**  trans-75.3119.9179-58.7-137.7145.800109.6W4 P5E2-W4 VanDerWaalsContact C-N 3.28Å; E2-W4 VanDerWaalsContact OE2-CD1 3.32Å; E2-P5 WeakPolarHBondContact O-CD 3.44Å
3L82.3Confident83.7Confident128 Ų128110.2 Ų110.267%0.6760%0.597SS**SBendtrans-78.5-14.9-177.5-68.3167.8000112.7M1 P5 C6 L7M1-L3 PolarHBondContact O-N 3.43Å; L3-P5 VanDerWaalsContact C-CD 3.43Å; L3-C6 PolarHBondContact O-N 2.65Å; L3-L7 HydrophobicContact CB-CD1 4.47Å; L3-L7 WeakPolarHBondContact O-CG 3.39Å; L3-L7 PolarHBondContact O-N 3.34Å; L3-L7 VanDerWaalsContact O-N 3.12Å
4W85.1Confident83.5Confident172 Ų172109.5 Ų109.565%0.65259%0.592SS**Hα-helixtrans-63.1-36.1-17499.3-95.6000115.2E2 L7 A8E2-W4 VanDerWaalsContact C-N 3.28Å; E2-W4 VanDerWaalsContact OE2-CD1 3.32Å; W4-L7 PolarHBondContact O-N 3.34Å; W4-A8 HydrophobicContact CE3-CB 4.24Å; W4-A8 HydrophobicContact CZ3-CB 4.23Å; W4-A8 WeakPolarHBondContact O-CB 3.45Å; W4-A8 PolarHBondContact O-N 3.27Å
5P89Confident83.5Confident64 Ų64108.4 Ų108.442%0.41659%0.585SS.*Hα-helixtrans-68.1-38.6178.7-15.831000111.7E2 L3 A8 A9E2-P5 WeakPolarHBondContact O-CD 3.44Å; L3-P5 VanDerWaalsContact C-CD 3.43Å; P5-A8 PolarHBondContact O-N 3.44Å; P5-A9 WeakPolarHBondContact O-CB 3.5Å; P5-A9 PolarHBondContact O-N 3.11Å
6C86.5Confident83.2Confident93 Ų93108 Ų10863%0.62858%0.582SS**Hα-helixtrans-66.2-40.9175.7-63.70000111.4L3 A10L3-C6 PolarHBondContact O-N 2.65Å; C6-A10 VanDerWaalsContact O-CB 3.28Å; C6-A10 WeakPolarHBondContact O-CB 3.48Å; C6-A10 PolarHBondContact O-N 3.34Å
7L87.4Confident82.8Confident120 Ų120107.3 Ų107.363%0.62858%0.577SS**Hα-helixtrans-64.7-42175.1-70.4169.9000111.7L3 W4 A10 L11L3-L7 HydrophobicContact CB-CD1 4.47Å; L3-L7 WeakPolarHBondContact O-CG 3.39Å; L3-L7 PolarHBondContact O-N 3.34Å; L3-L7 VanDerWaalsContact O-N 3.12Å; W4-L7 PolarHBondContact O-N 3.34Å; L7-A10 PolarHBondContact O-N 2.97Å; L7-L11 WeakPolarHBondContact O-CB 3.42Å; L7-L11 PolarHBondContact O-N 3.17Å
8A88.6Confident82.5Confident32 Ų32103.3 Ų103.326%0.26456%0.557SS.*Hα-helixtrans-64.9-44.9176.800000112W4 P5 L11 L12W4-A8 HydrophobicContact CE3-CB 4.24Å; W4-A8 HydrophobicContact CZ3-CB 4.23Å; W4-A8 WeakPolarHBondContact O-CB 3.45Å; W4-A8 PolarHBondContact O-N 3.27Å; P5-A8 PolarHBondContact O-N 3.44Å; A8-L11 PolarHBondContact O-N 3.22Å; A8-L12 WeakPolarHBondContact O-CB 3.48Å; A8-L12 WeakPolarHBondContact O-CG 3.36Å; A8-L12 PolarHBondContact O-N 3.17Å
9A86.8Confident82.2Confident58 Ų58104.5 Ų104.548%0.47956%0.559SS.*Hα-helixtrans-63.5-41.6176.400000112.1P5 L12 L13P5-A9 WeakPolarHBondContact O-CB 3.5Å; P5-A9 PolarHBondContact O-N 3.11Å; A9-L12 PolarHBondContact O-N 3.22Å; A9-L13 WeakPolarHBondContact O-CB 3.32Å; A9-L13 PolarHBondContact O-N 3.39Å
10A85.7Confident82.1Confident58 Ų58105.8 Ų105.848%0.47957%0.565SS.*Hα-helixtrans-63.6-40.8175.200000112C6 L7 L13 L14C6-A10 VanDerWaalsContact O-CB 3.28Å; C6-A10 WeakPolarHBondContact O-CB 3.48Å; C6-A10 PolarHBondContact O-N 3.34Å; L7-A10 PolarHBondContact O-N 2.97Å; A10-L13 PolarHBondContact O-N 2.9Å; A10-L14 VanDerWaalsContact O-CB 3.31Å; A10-L14 WeakPolarHBondContact O-CB 3.44Å; A10-L14 PolarHBondContact O-N 3.32Å
11L87.9Confident82.5Confident104 Ų104103.1 Ų103.155%0.54556%0.555SS.*Hα-helixtrans-64.6-44.6175.4-175.966.8000111.5L7 A8 L14 L15L7-L11 WeakPolarHBondContact O-CB 3.42Å; L7-L11 PolarHBondContact O-N 3.17Å; A8-L11 PolarHBondContact O-N 3.22Å; L11-L14 PolarHBondContact O-N 2.76Å; L11-L15 HydrophobicContact CG-CD1 4.24Å; L11-L15 WeakPolarHBondContact O-CB 3.46Å; L11-L15 VanDerWaalsContact O-CG 3.25Å; L11-L15 WeakPolarHBondContact O-CG 3.48Å; L11-L15 PolarHBondContact O-N 3.35Å
12L87.3Confident83.5Confident118 Ų118101.6 Ų101.662%0.61854%0.537SS*.Hα-helixtrans-63.2-43.1177.1-73.9169.7000111.9A8 A9 L15 L16A8-L12 WeakPolarHBondContact O-CB 3.48Å; A8-L12 WeakPolarHBondContact O-CG 3.36Å; A8-L12 PolarHBondContact O-N 3.17Å; A9-L12 PolarHBondContact O-N 3.22Å; L12-L15 PolarHBondContact O-N 3.19Å; L12-L16 WeakPolarHBondContact O-CB 3.35Å; L12-L16 PolarHBondContact O-N 3.49Å
13L81.8Confident84.2Confident107 Ų10796.1 Ų96.156%0.5652%0.517SS*.Hα-helixtrans-63-43.2175.5-178.163.5000111.3A9 A10 L16 L17A9-L13 WeakPolarHBondContact O-CB 3.32Å; A9-L13 PolarHBondContact O-N 3.39Å; A10-L13 PolarHBondContact O-N 2.9Å; L13-L16 PolarHBondContact O-N 3.09Å; L13-L17 HydrophobicContact CD1-CG 4.46Å; L13-L17 HydrophobicContact CG-CD1 4.15Å; L13-L17 WeakPolarHBondContact O-CB 3.3Å; L13-L17 VanDerWaalsContact O-CG 3.25Å; L13-L17 WeakPolarHBondContact O-CG 3.5Å; L13-L17 PolarHBondContact O-N 3.41Å
14L80.8Confident84.7Confident101 Ų10191.6 Ų91.653%0.52950%0.498SS..Hα-helixtrans-61.5-46.4175.7178.865000111.5A10 L11 L16 L17 V18A10-L14 VanDerWaalsContact O-CB 3.31Å; A10-L14 WeakPolarHBondContact O-CB 3.44Å; A10-L14 PolarHBondContact O-N 3.32Å; L11-L14 PolarHBondContact O-N 2.76Å; L14-L16 VanDerWaalsContact C-N 3.3Å; L14-L16 PolarHBondContact O-N 2.84Å; L14-L17 PolarHBondContact O-N 2.68Å; L14-V18 WeakPolarHBondContact O-CG2 3.49Å; L14-V18 PolarHBondContact O-N 3.46Å
15L82.6Confident84.9Confident93 Ų9385.4 Ų85.449%0.48748%0.477SS..Hα-helixtrans-59.2-43.7176.1-72.7171.1000110.9L11 L12 V18 Q19L11-L15 HydrophobicContact CG-CD1 4.24Å; L11-L15 WeakPolarHBondContact O-CB 3.46Å; L11-L15 VanDerWaalsContact O-CG 3.25Å; L11-L15 WeakPolarHBondContact O-CG 3.48Å; L11-L15 PolarHBondContact O-N 3.35Å; L12-L15 PolarHBondContact O-N 3.19Å; L15-V18 PolarHBondContact O-N 2.83Å; L15-Q19 VanDerWaalsContact O-CG 3.27Å; L15-Q19 WeakPolarHBondContact O-CG 3.44Å; L15-Q19 PolarHBondContact O-N 3.09Å
16L79.3Confident85.2Confident102 Ų10282.8 Ų82.853%0.53446%0.459SS..Hα-helixtrans-65.7-42.5179-162143.7000111.6L12 L13 L14 V18 Q19 L20L12-L16 WeakPolarHBondContact O-CB 3.35Å; L12-L16 PolarHBondContact O-N 3.49Å; L13-L16 PolarHBondContact O-N 3.09Å; L14-L16 VanDerWaalsContact C-N 3.3Å; L14-L16 PolarHBondContact O-N 2.84Å; L16-V18 VanDerWaalsContact C-N 3.32Å; L16-V18 PolarHBondContact O-N 2.9Å; L16-Q19 PolarHBondContact O-N 2.77Å; L16-Q19 VanDerWaalsContact O-N 3.13Å; L16-L20 HydrophobicContact CD2-CD1 3.62Å; L16-L20 HydrophobicContact CD2-CG 4.11Å; L16-L20 WeakPolarHBondContact O-CG 3.23Å; L16-L20 PolarHBondContact O-N 3.02Å
17L76.8Confident85.5Confident96 Ų9684.4 Ų84.450%0.50345%0.453SS..Hα-helixtrans-62.6-36.6174.5-72171.1000112.7L13 L14 Q19 L20 S21L13-L17 HydrophobicContact CD1-CG 4.46Å; L13-L17 HydrophobicContact CG-CD1 4.15Å; L13-L17 WeakPolarHBondContact O-CB 3.3Å; L13-L17 VanDerWaalsContact O-CG 3.25Å; L13-L17 WeakPolarHBondContact O-CG 3.5Å; L13-L17 PolarHBondContact O-N 3.41Å; L14-L17 PolarHBondContact O-N 2.68Å; L17-Q19 VanDerWaalsContact C-N 3.35Å; L17-L20 HydrophobicContact CD2-CD1 4.46Å; L17-L20 PolarHBondContact O-N 3.34Å; L17-S21 PolarHBondContact O-N 3.06Å
18V77.6Confident85.8Confident35 Ų3580.9 Ų80.921%0.21244%0.441CS..Hα-helixtrans-64-41.2173169.30000110.8L14 L15 L16 L20 S21 A24 E25 A28L14-V18 WeakPolarHBondContact O-CG2 3.49Å; L14-V18 PolarHBondContact O-N 3.46Å; L15-V18 PolarHBondContact O-N 2.83Å; L16-V18 VanDerWaalsContact C-N 3.32Å; L16-V18 PolarHBondContact O-N 2.9Å; V18-L20 VanDerWaalsContact C-N 3.33Å; V18-L20 PolarHBondContact O-N 3.31Å; V18-S21 PolarHBondContact O-N 2.81Å; V18-A24 HydrophobicContact CG1-CB 4.39Å; V18-A24 HydrophobicContact CG2-CB 4.45Å; V18-E25 PolarHBondContact O-N 2.78Å; V18-A28 HydrophobicContact CG1-CB 4Å
19Q77.1Confident86Confident126 Ų12682 Ų8259%0.58944%0.439SS*.Hα-helixtrans-71-26.7178.3-64.3-66.9-28.900113.1L15 L16 L17 S21L15-Q19 VanDerWaalsContact O-CG 3.27Å; L15-Q19 WeakPolarHBondContact O-CG 3.44Å; L15-Q19 PolarHBondContact O-N 3.09Å; L16-Q19 PolarHBondContact O-N 2.77Å; L16-Q19 VanDerWaalsContact O-N 3.13Å; L17-Q19 VanDerWaalsContact C-N 3.35Å; Q19-S21 VanDerWaalsContact C-N 3.33Å
20L80.1Confident86.4Confident131 Ų13180.6 Ų80.669%0.68643%0.425SS*.Hα-helixtrans-74.9-23176.1-71.4173000112.9L16 L17 V18L16-L20 HydrophobicContact CD2-CD1 3.62Å; L16-L20 HydrophobicContact CD2-CG 4.11Å; L16-L20 WeakPolarHBondContact O-CG 3.23Å; L16-L20 PolarHBondContact O-N 3.02Å; L17-L20 HydrophobicContact CD2-CD1 4.46Å; L17-L20 PolarHBondContact O-N 3.34Å; V18-L20 VanDerWaalsContact C-N 3.33Å; V18-L20 PolarHBondContact O-N 3.31Å
21S89.2Confident86.8Confident50 Ų5080.7 Ų80.735%0.3543%0.426SS..  trans-110.5109.2179.7174.60000111.4L17 V18 Q19 A23 A24 E25L17-S21 PolarHBondContact O-N 3.06Å; V18-S21 PolarHBondContact O-N 2.81Å; Q19-S21 VanDerWaalsContact C-N 3.33Å; S21-A23 PolarHBondContact O-N 2.85Å; S21-A23 VanDerWaalsContact O-N 3.09Å; S21-A24 PolarHBondContact O-N 3.21Å; S21-A24 PolarHBondContact OG-N 3.27Å; S21-E25 PolarHBondContact O-N 2.85Å
22R86.6Confident87Confident193 Ų19380 Ų8073%0.72842%0.422SS*.Hα-helixtrans-49.4-38.6173.1-75.3-178.3158.9-175.9-4.7113F26R22-F26 VanDerWaalsContact O-CB 3.29Å; R22-F26 WeakPolarHBondContact O-CB 3.49Å; R22-F26 PolarHBondContact O-N 2.66Å
23A91Very high87.3Confident37 Ų3774.9 Ų74.931%0.30640%0.395SS..Hα-helixtrans-68.7-44.2177.900000112.1S21 F26 Y27 K216S21-A23 PolarHBondContact O-N 2.85Å; S21-A23 VanDerWaalsContact O-N 3.09Å; A23-F26 PolarHBondContact O-N 3.33Å; A23-Y27 WeakPolarHBondContact O-CD2 3.33Å; A23-Y27 PolarHBondContact O-N 2.81Å; A23-K216 HydrophobicContact CB-CB 4.42Å; A23-K216 HydrophobicContact CB-CG 4.15Å
24A90.8Very high87.9Confident33 Ų3373.2 Ų73.227%0.27339%0.391SS..Hα-helixtrans-64.2-45.8177.300000111.1V18 S21 F26 Y27 A28V18-A24 HydrophobicContact CG1-CB 4.39Å; V18-A24 HydrophobicContact CG2-CB 4.45Å; S21-A24 PolarHBondContact O-N 3.21Å; S21-A24 PolarHBondContact OG-N 3.27Å; A24-F26 VanDerWaalsContact C-N 3.33Å; A24-F26 PolarHBondContact O-N 3.19Å; A24-Y27 PolarHBondContact O-N 3.4Å; A24-A28 VanDerWaalsContact O-CB 3.3Å; A24-A28 WeakPolarHBondContact O-CB 3.43Å; A24-A28 PolarHBondContact O-N 3.07Å
25E90.8Very high88.6Confident42 Ų4271.1 Ų71.120%0.19639%0.388CS..Hα-helixtrans-57-45.9175.6-167.2-164.6159.900111.6V18 S21 A28 K29V18-E25 PolarHBondContact O-N 2.78Å; S21-E25 PolarHBondContact O-N 2.85Å; E25-A28 PolarHBondContact O-N 2.93Å; E25-K29 HydrophobicContact CG-CD 4.38Å; E25-K29 WeakPolarHBondContact O-CB 3.48Å; E25-K29 WeakPolarHBondContact O-CG 3.41Å; E25-K29 PolarHBondContact O-N 3.19Å; E25-K29 WeakPolarHBondContact OE1-CE 3.34Å; E25-K29 IonicContact OE1-NZ 3.65Å; E25-K29 PolarHBondContact OE1-NZ 3Å
26F93.9Very high89.1Confident9 Ų968.5 Ų68.54%0.03938%0.375CS..Hα-helixtrans-58.2-51.6176.6175.7-91.2000112.1R22 A23 A24 A28 K29 V30 Y211 T213 K216 L217 F218R22-F26 VanDerWaalsContact O-CB 3.29Å; R22-F26 WeakPolarHBondContact O-CB 3.49Å; R22-F26 PolarHBondContact O-N 2.66Å; A23-F26 PolarHBondContact O-N 3.33Å; A24-F26 VanDerWaalsContact C-N 3.33Å; A24-F26 PolarHBondContact O-N 3.19Å; F26-A28 VanDerWaalsContact C-N 3.35Å; F26-A28 PolarHBondContact O-N 2.97Å; F26-K29 PolarHBondContact O-N 2.99Å; F26-V30 HydrophobicContact CD1-CG2 4.32Å; F26-V30 HydrophobicContact CE1-CG2 3.85Å; F26-V30 HydrophobicContact CE2-CG2 4.28Å; F26-V30 HydrophobicContact CZ-CG2 3.82Å; F26-V30 WeakPolarHBondContact O-CG2 3.35Å; F26-V30 PolarHBondContact O-N 2.73Å; F26-Y211 HydrophobicContact CE2-CD2 4.44Å; F26-Y211 HydrophobicContact CE2-CE2 4.02Å; F26-Y211 HydrophobicContact CZ-CE2 4.35Å; F26-T213 HydrophobicContact CZ-CG2 4.18Å; F26-K216 HydrophobicContact CB-CB 3.89Å; F26-K216 HydrophobicContact CD1-CB 4.42Å; F26-K216 HydrophobicContact CD1-CD 3.76Å; F26-K216 VanDerWaalsContact CD2-C 3.47Å; F26-K216 HydrophobicContact CD2-CB 4.47Å; F26-K216 HydrophobicContact CE1-CD 4.15Å; F26-K216 HydrophobicContact CG-CB 4.01Å; F26-K216 HydrophobicContact CG-CD 4.21Å; F26-L217 WeakPolarHBondContact CE2-O 3.38Å; F26-F218 HydrophobicContact CD2-CB 3.72Å; F26-F218 HydrophobicContact CE2-CB 4.13Å
27Y94.4Very high89.7Confident128 Ų12864.9 Ų64.950%0.50236%0.358SS..Hα-helixtrans-67.7-35.8-179.1-71.8-59.6000112.2A23 A24 V30 A31 K216A23-Y27 WeakPolarHBondContact O-CD2 3.33Å; A23-Y27 PolarHBondContact O-N 2.81Å; A24-Y27 PolarHBondContact O-N 3.4Å; Y27-V30 PolarHBondContact O-N 3.29Å; Y27-A31 VanDerWaalsContact O-CB 3.26Å; Y27-A31 WeakPolarHBondContact O-CB 3.41Å; Y27-A31 PolarHBondContact O-N 3.39Å; Y27-K216 HydrophobicContact CE2-CD 4.31Å; Y27-K216 WeakPolarHBondContact OH-CE 3.33Å; Y27-K216 PolarHBondContact OH-NZ 3.3Å
28A92.1Very high90.6Very high46 Ų4665.8 Ų65.838%0.3836%0.358SS..Hα-helixtrans-61-45.3173.500000111.4V18 A24 E25 F26 A31 L32V18-A28 HydrophobicContact CG1-CB 4Å; A24-A28 VanDerWaalsContact O-CB 3.3Å; A24-A28 WeakPolarHBondContact O-CB 3.43Å; A24-A28 PolarHBondContact O-N 3.07Å; E25-A28 PolarHBondContact O-N 2.93Å; F26-A28 VanDerWaalsContact C-N 3.35Å; F26-A28 PolarHBondContact O-N 2.97Å; A28-A31 PolarHBondContact O-N 3.43Å; A28-L32 WeakPolarHBondContact O-CB 3.45Å; A28-L32 PolarHBondContact O-N 3.1Å
29K93.4Very high91.4Very high54 Ų5466.5 Ų66.524%0.23537%0.368CS..Hα-helixtrans-63.4-41.5175.3-76.9174.8170.1170.80112.5E25 F26 Y33 Y74 F218E25-K29 HydrophobicContact CG-CD 4.38Å; E25-K29 WeakPolarHBondContact O-CB 3.48Å; E25-K29 WeakPolarHBondContact O-CG 3.41Å; E25-K29 PolarHBondContact O-N 3.19Å; E25-K29 WeakPolarHBondContact OE1-CE 3.34Å; E25-K29 IonicContact OE1-NZ 3.65Å; E25-K29 PolarHBondContact OE1-NZ 3Å; F26-K29 PolarHBondContact O-N 2.99Å; K29-Y33 WeakPolarHBondContact O-CB 3.02Å; K29-Y33 PolarHBondContact O-N 3.29Å; K29-Y74 HydrophobicContact CB-CE1 4.14Å; K29-Y74 HydrophobicContact CG-CE1 4.5Å; K29-Y74 PolarHBondContact O-OH 2.78Å; K29-F218 HydrophobicContact CB-CD1 3.59Å; K29-F218 HydrophobicContact CB-CE1 4.06Å; K29-F218 HydrophobicContact CB-CG 4.26Å; K29-F218 HydrophobicContact CD-CB 4.13Å; K29-F218 HydrophobicContact CD-CD1 4.37Å; K29-F218 HydrophobicContact CD-CG 4.2Å; K29-F218 VanDerWaalsContact CD-O 3.26Å; K29-F218 WeakPolarHBondContact CD-O 3.39Å; K29-F218 PolarHBondContact NZ-O 2.64Å
30V94.6Very high92.2Very high29 Ų2963 Ų6318%0.17635%0.352CS..Hα-helixtrans-66.7-41.7176172.30000111.4F26 Y27 Y33 C34 I101 F218F26-V30 HydrophobicContact CD1-CG2 4.32Å; F26-V30 HydrophobicContact CE1-CG2 3.85Å; F26-V30 HydrophobicContact CE2-CG2 4.28Å; F26-V30 HydrophobicContact CZ-CG2 3.82Å; F26-V30 WeakPolarHBondContact O-CG2 3.35Å; F26-V30 PolarHBondContact O-N 2.73Å; Y27-V30 PolarHBondContact O-N 3.29Å; V30-Y33 WeakPolarHBondContact O-CB 3.15Å; V30-Y33 PolarHBondContact O-N 3.34Å; V30-C34 PolarHBondContact O-N 3.43Å; V30-C34 PolarHBondContact O-SG 3.08Å; V30-C34 VanDerWaalsContact O-SG 3.39Å; V30-I101 HydrophobicContact CG1-CD1 4.34Å; V30-F218 HydrophobicContact CG2-CD1 4.24Å
31A94.4Very high92.9Very high61 Ų6157.6 Ų57.650%0.50433%0.325SS..Hα-helixtrans-64-44.6177.100000111.4Y27 A28 Y33 C34 A35Y27-A31 VanDerWaalsContact O-CB 3.26Å; Y27-A31 WeakPolarHBondContact O-CB 3.41Å; Y27-A31 PolarHBondContact O-N 3.39Å; A28-A31 PolarHBondContact O-N 3.43Å; A31-Y33 VanDerWaalsContact C-N 3.28Å; A31-Y33 PolarHBondContact O-N 3.31Å; A31-C34 PolarHBondContact O-N 2.98Å; A31-A35 WeakPolarHBondContact O-CB 3.28Å; A31-A35 PolarHBondContact O-N 2.96Å
32L93.3Very high93.3Very high88 Ų8857.4 Ų57.446%0.46133%0.326SS..Hα-helixtrans-58.4-42173.2-179.562.6000111.1A28 A35 L36 Y74A28-L32 WeakPolarHBondContact O-CB 3.45Å; A28-L32 PolarHBondContact O-N 3.1Å; L32-A35 PolarHBondContact O-N 3.05Å; L32-L36 HydrophobicContact CD1-CD1 4.21Å; L32-L36 HydrophobicContact CD1-CG 4.16Å; L32-L36 HydrophobicContact CG-CD1 4.01Å; L32-L36 HydrophobicContact CG-CG 4.39Å; L32-L36 WeakPolarHBondContact O-CB 3.47Å; L32-L36 VanDerWaalsContact O-CG 3.28Å; L32-L36 WeakPolarHBondContact O-CG 3.47Å; L32-L36 PolarHBondContact O-N 3.43Å; L32-Y74 WeakPolarHBondContact CG-OH 3.24Å
33Y93.9Very high93.7Very high12 Ų1251.6 Ų51.65%0.04731%0.312CS..Hα-helixtrans-61.2-49.1178.2174.7-102.1000111K29 V30 A31 A35 L36 C37 F70 Y74 I101 L102 M105K29-Y33 WeakPolarHBondContact O-CB 3.02Å; K29-Y33 PolarHBondContact O-N 3.29Å; V30-Y33 WeakPolarHBondContact O-CB 3.15Å; V30-Y33 PolarHBondContact O-N 3.34Å; A31-Y33 VanDerWaalsContact C-N 3.28Å; A31-Y33 PolarHBondContact O-N 3.31Å; Y33-A35 PolarHBondContact O-N 2.66Å; Y33-L36 PolarHBondContact O-N 3.34Å; Y33-C37 VanDerWaalsContact CZ-SG 3.6Å; Y33-C37 WeakPolarHBondContact O-CB 3.25Å; Y33-C37 PolarHBondContact O-N 2.98Å; Y33-C37 PolarHBondContact O-SG 3.24Å; Y33-C37 VanDerWaalsContact O-SG 3.36Å; Y33-F70 HydrophobicContact CE2-CD2 4.31Å; Y33-Y74 WeakPolarHBondContact CA-OH 3.26Å; Y33-Y74 WeakPolarHBondContact CB-OH 3.28Å; Y33-Y74 HydrophobicContact CD2-CE2 4.1Å; Y33-Y74 PolarHBondContact N-OH 2.95Å; Y33-I101 HydrophobicContact CD1-CD1 3.67Å; Y33-I101 HydrophobicContact CD1-CG1 4.29Å; Y33-I101 HydrophobicContact CE1-CB 3.95Å; Y33-I101 HydrophobicContact CE1-CD1 3.84Å; Y33-I101 HydrophobicContact CE1-CG1 3.98Å; Y33-I101 PolarHBondContact OH-O 2.87Å; Y33-L102 HydrophobicContact CE2-CD2 4.46Å; Y33-M105 HydrophobicContact CD2-CE 3.44Å; Y33-M105 VanDerWaalsContact CD2-CE 3.44Å; Y33-M105 HydrophobicContact CE2-CE 3.19Å; Y33-M105 HydrophobicContact CE2-CG 4.35Å
34C94.2Very high94Very high71 Ų7149.9 Ų49.948%0.4830%0.298SS..Hα-helixtrans-61.5-42.2177.2-68.60000112.2V30 A31 C37 F38V30-C34 PolarHBondContact O-N 3.43Å; V30-C34 PolarHBondContact O-SG 3.08Å; V30-C34 VanDerWaalsContact O-SG 3.39Å; A31-C34 PolarHBondContact O-N 2.98Å; C34-C37 PolarHBondContact O-N 3.44Å; C34-F38 WeakPolarHBondContact O-CB 3.23Å; C34-F38 PolarHBondContact O-N 3.12Å
35A94.1Very high94.2Very high57 Ų5748.5 Ų48.547%0.47129%0.286SS..Hα-helixtrans-64-44.5178.100000111.9A31 L32 Y33 F38 A39A31-A35 WeakPolarHBondContact O-CB 3.28Å; A31-A35 PolarHBondContact O-N 2.96Å; L32-A35 PolarHBondContact O-N 3.05Å; Y33-A35 PolarHBondContact O-N 2.66Å; A35-F38 PolarHBondContact O-N 2.79Å; A35-A39 WeakPolarHBondContact O-CB 3.21Å; A35-A39 PolarHBondContact O-N 3.42Å
36L92.8Very high94.5Very high39 Ų3951.4 Ų51.420%0.20430%0.303CS..Hα-helixtrans-62.5-45.6174.9-72.4172.9000111.5L32 Y33 F38 M40 F70 Y74L32-L36 HydrophobicContact CD1-CD1 4.21Å; L32-L36 HydrophobicContact CD1-CG 4.16Å; L32-L36 HydrophobicContact CG-CD1 4.01Å; L32-L36 HydrophobicContact CG-CG 4.39Å; L32-L36 WeakPolarHBondContact O-CB 3.47Å; L32-L36 VanDerWaalsContact O-CG 3.28Å; L32-L36 WeakPolarHBondContact O-CG 3.47Å; L32-L36 PolarHBondContact O-N 3.43Å; Y33-L36 PolarHBondContact O-N 3.34Å; L36-F38 VanDerWaalsContact C-N 3.3Å; L36-F38 PolarHBondContact O-N 3.4Å; L36-M40 VanDerWaalsContact O-CB 3.31Å; L36-M40 WeakPolarHBondContact O-CB 3.43Å; L36-M40 WeakPolarHBondContact O-CG 3.1Å; L36-M40 PolarHBondContact O-N 3.49Å; L36-F70 HydrophobicContact CB-CE1 4.34Å; L36-F70 HydrophobicContact CB-CE2 4.26Å; L36-F70 HydrophobicContact CB-CZ 4.1Å; L36-Y74 HydrophobicContact CD1-CE2 4.39Å
37C93.4Very high94.7Very high25 Ų2553.5 Ų53.517%0.16932%0.316CS..Hα-helixtrans-55.3-47.1173.8-75.90000111.3Y33 C34 S41Y33-C37 VanDerWaalsContact CZ-SG 3.6Å; Y33-C37 WeakPolarHBondContact O-CB 3.25Å; Y33-C37 PolarHBondContact O-N 2.98Å; Y33-C37 PolarHBondContact O-SG 3.24Å; Y33-C37 VanDerWaalsContact O-SG 3.36Å; C34-C37 PolarHBondContact O-N 3.44Å; C37-S41 WeakPolarHBondContact O-CB 3.37Å; C37-S41 PolarHBondContact O-N 2.97Å; C37-S41 PolarHBondContact O-OG 3.3Å
38F95.3Very high94.8Very high115 Ų11547.4 Ų47.450%0.50429%0.292SS..Hα-helixtrans-65.3-52.4-178.5-169-83.7000112.2C34 A35 L36 M40 S41 A42 P128C34-F38 WeakPolarHBondContact O-CB 3.23Å; C34-F38 PolarHBondContact O-N 3.12Å; A35-F38 PolarHBondContact O-N 2.79Å; L36-F38 VanDerWaalsContact C-N 3.3Å; L36-F38 PolarHBondContact O-N 3.4Å; F38-M40 PolarHBondContact O-N 3.44Å; F38-S41 PolarHBondContact O-N 3.35Å; F38-A42 PolarHBondContact O-N 2.84Å; F38-A42 VanDerWaalsContact O-N 3.16Å; F38-P128 HydrophobicContact CD1-CG 4.21Å; F38-P128 HydrophobicContact CD2-CG 4.41Å; F38-P128 HydrophobicContact CE1-CG 3.73Å; F38-P128 HydrophobicContact CE2-CG 3.98Å; F38-P128 HydrophobicContact CZ-CG 3.61Å
39A94.4Very high95.1Very high51 Ų5149 Ų4942%0.42129%0.294SS..Hα-helixtrans-61.1-47.4-177.500000111.7A35 S41 A42 V43A35-A39 WeakPolarHBondContact O-CB 3.21Å; A35-A39 PolarHBondContact O-N 3.42Å; A39-S41 VanDerWaalsContact C-N 3.34Å; A39-S41 PolarHBondContact O-N 2.92Å; A39-A42 WeakPolarHBondContact O-CB 3.33Å; A39-A42 PolarHBondContact O-N 3.45Å; A39-V43 PolarHBondContact O-N 3.36Å
40M93.2Very high95.3Very high53 Ų5353 Ų5326%0.26132%0.317SS..Hα-helixtrans-75.2-27-177.3-55.6-61.8-72.300112L36 F38 A42 V43 A44 F66 F70L36-M40 VanDerWaalsContact O-CB 3.31Å; L36-M40 WeakPolarHBondContact O-CB 3.43Å; L36-M40 WeakPolarHBondContact O-CG 3.1Å; L36-M40 PolarHBondContact O-N 3.49Å; F38-M40 PolarHBondContact O-N 3.44Å; M40-A42 VanDerWaalsContact C-N 3.29Å; M40-A42 PolarHBondContact O-N 2.83Å; M40-V43 PolarHBondContact O-N 3.01Å; M40-A44 WeakPolarHBondContact O-CB 3.36Å; M40-A44 PolarHBondContact O-N 3.43Å; M40-F66 HydrophobicContact CE-CD1 3.31Å; M40-F66 HydrophobicContact CE-CE1 3.65Å; M40-F66 HydrophobicContact CE-CG 4.47Å; M40-F70 HydrophobicContact CB-CE1 4.14Å; M40-F70 HydrophobicContact CB-CZ 3.78Å; M40-F70 HydrophobicContact CG-CE1 3.69Å; M40-F70 HydrophobicContact CG-CZ 3.71Å
41S95.6Very high95.4Very high16 Ų1659.9 Ų59.911%0.11234%0.34CS..Hα-helixtrans-64.1-36.1169.9-63.50000111.6C37 F38 A39 S45 P128 I132C37-S41 WeakPolarHBondContact O-CB 3.37Å; C37-S41 PolarHBondContact O-N 2.97Å; C37-S41 PolarHBondContact O-OG 3.3Å; F38-S41 PolarHBondContact O-N 3.35Å; A39-S41 VanDerWaalsContact C-N 3.34Å; A39-S41 PolarHBondContact O-N 2.92Å; S41-S45 VanDerWaalsContact O-CB 3.26Å; S41-S45 WeakPolarHBondContact O-CB 3.46Å; S41-S45 PolarHBondContact O-N 3.39Å; S41-S45 PolarHBondContact O-OG 3.49Å; S41-P128 WeakPolarHBondContact CB-O 3.31Å; S41-I132 WeakPolarHBondContact OG-CG2 3.26Å
42A96.4Very high95.5Very high46 Ų4660.2 Ų60.238%0.3833%0.331SS..Hα-helixtrans-65.8-47.3175.300000111.4F38 A39 M40 S45 L46 P128F38-A42 PolarHBondContact O-N 2.84Å; F38-A42 VanDerWaalsContact O-N 3.16Å; A39-A42 WeakPolarHBondContact O-CB 3.33Å; A39-A42 PolarHBondContact O-N 3.45Å; M40-A42 VanDerWaalsContact C-N 3.29Å; M40-A42 PolarHBondContact O-N 2.83Å; A42-S45 PolarHBondContact O-N 2.94Å; A42-L46 PolarHBondContact O-N 2.99Å; A42-P128 HydrophobicContact CB-CB 3.97Å; A42-P128 HydrophobicContact CB-CG 4.15Å
43V96.3Very high95.6Very high71 Ų7159.2 Ų59.243%0.4334%0.341SS..Hα-helixtrans-62.5-49176.6178.80000111.1A39 M40 S45 L46 V47 F66A39-V43 PolarHBondContact O-N 3.36Å; M40-V43 PolarHBondContact O-N 3.01Å; V43-S45 VanDerWaalsContact C-N 3.29Å; V43-S45 PolarHBondContact O-N 3.32Å; V43-L46 WeakPolarHBondContact O-CB 3.37Å; V43-L46 PolarHBondContact O-N 3.45Å; V43-V47 WeakPolarHBondContact O-CG2 3.38Å; V43-V47 PolarHBondContact O-N 3.39Å; V43-F66 HydrophobicContact CG1-CE1 4.07Å; V43-F66 HydrophobicContact CG1-CZ 3.9Å
44A95.8Very high95.6Very high2 Ų259.5 Ų59.52%0.01735%0.349CS..Hα-helixtrans-60.8-38.3178.700000111.8M40 L46 V47 C48 F66 I132M40-A44 WeakPolarHBondContact O-CB 3.36Å; M40-A44 PolarHBondContact O-N 3.43Å; A44-L46 VanDerWaalsContact C-N 3.34Å; A44-L46 PolarHBondContact O-N 3.44Å; A44-V47 PolarHBondContact O-N 2.96Å; A44-C48 WeakPolarHBondContact O-CB 3.38Å; A44-C48 PolarHBondContact O-N 3.45Å; A44-C48 PolarHBondContact O-SG 3.13Å; A44-F66 HydrophobicContact CB-CD2 3.51Å; A44-F66 HydrophobicContact CB-CE2 3.79Å; A44-F66 HydrophobicContact CB-CG 4.18Å; A44-I132 HydrophobicContact CB-CD1 3.85Å; A44-I132 HydrophobicContact CB-CG1 4.11Å
45S96.7Very high95.7Very high3 Ų359.6 Ų59.62%0.02134%0.339CS..Hα-helixtrans-61-43.6176.4-63.50000111.6S41 A42 V43 C48 L49 I132S41-S45 VanDerWaalsContact O-CB 3.26Å; S41-S45 WeakPolarHBondContact O-CB 3.46Å; S41-S45 PolarHBondContact O-N 3.39Å; S41-S45 PolarHBondContact O-OG 3.49Å; A42-S45 PolarHBondContact O-N 2.94Å; V43-S45 VanDerWaalsContact C-N 3.29Å; V43-S45 PolarHBondContact O-N 3.32Å; S45-C48 PolarHBondContact O-N 3.14Å; S45-L49 WeakPolarHBondContact O-CB 3.49Å; S45-L49 VanDerWaalsContact O-CG 3.28Å; S45-L49 WeakPolarHBondContact O-CG 3.5Å; S45-L49 PolarHBondContact O-N 2.72Å; S45-I132 WeakPolarHBondContact OG-CB 3.2Å
46L97.3Very high95.8Very high104 Ų10458.9 Ų58.955%0.54533%0.328SS..Hα-helixtrans-61.6-46.6175.1-179.562000111.2A42 V43 A44 C48 L49 L50A42-L46 PolarHBondContact O-N 2.99Å; V43-L46 WeakPolarHBondContact O-CB 3.37Å; V43-L46 PolarHBondContact O-N 3.45Å; A44-L46 VanDerWaalsContact C-N 3.34Å; A44-L46 PolarHBondContact O-N 3.44Å; L46-C48 PolarHBondContact O-N 2.68Å; L46-L49 PolarHBondContact O-N 3.16Å; L46-L50 HydrophobicContact CD1-CD1 4.03Å; L46-L50 HydrophobicContact CD1-CG 4.14Å; L46-L50 HydrophobicContact CG-CD1 3.93Å; L46-L50 HydrophobicContact CG-CG 4.42Å; L46-L50 WeakPolarHBondContact O-CB 3.21Å; L46-L50 VanDerWaalsContact O-CG 3.29Å; L46-L50 WeakPolarHBondContact O-CG 3.46Å; L46-L50 PolarHBondContact O-N 3.12Å
47V97.3Very high95.9Very high53 Ų5357.4 Ų57.432%0.32132%0.321SS..Hα-helixtrans-61-43.5178.1176.40000111.5V43 A44 L50 R51 I62 F66V43-V47 WeakPolarHBondContact O-CG2 3.38Å; V43-V47 PolarHBondContact O-N 3.39Å; A44-V47 PolarHBondContact O-N 2.96Å; V47-L50 PolarHBondContact O-N 3.38Å; V47-R51 VanDerWaalsContact O-CB 3.25Å; V47-R51 WeakPolarHBondContact O-CB 3.42Å; V47-R51 PolarHBondContact O-N 2.99Å; V47-I62 HydrophobicContact CB-CG2 4.32Å; V47-I62 HydrophobicContact CG1-CD1 4.1Å; V47-I62 HydrophobicContact CG1-CG2 3.9Å; V47-F66 HydrophobicContact CG2-CE2 4.42Å; V47-F66 HydrophobicContact CG2-CZ 4.35Å
48C97.3Very high96Very high0 Ų059.7 Ų59.70%033%0.329CS..Hα-helixtrans-60.9-44.5176.6-73.90000112.1A44 S45 L46 H52 N59 I132 L135A44-C48 WeakPolarHBondContact O-CB 3.38Å; A44-C48 PolarHBondContact O-N 3.45Å; A44-C48 PolarHBondContact O-SG 3.13Å; S45-C48 PolarHBondContact O-N 3.14Å; L46-C48 PolarHBondContact O-N 2.68Å; C48-H52 PolarHBondContact O-N 2.86Å; C48-N59 HydrophobicContact CB-CB 4.37Å; C48-N59 VanDerWaalsContact CB-OD1 3.3Å; C48-N59 WeakPolarHBondContact CB-OD1 3.42Å; C48-N59 PolarHBondContact SG-OD1 3Å; C48-I132 HydrophobicContact CB-CD1 4.47Å; C48-L135 HydrophobicContact CB-CD1 4.21Å
49L97.3Very high96Very high78 Ų7854.2 Ų54.241%0.40831%0.305SS..Hα-helixtrans-64.5-44177.5-72169.4000111.7S45 L46 G53 L135S45-L49 WeakPolarHBondContact O-CB 3.49Å; S45-L49 VanDerWaalsContact O-CG 3.28Å; S45-L49 WeakPolarHBondContact O-CG 3.5Å; S45-L49 PolarHBondContact O-N 2.72Å; L46-L49 PolarHBondContact O-N 3.16Å; L49-G53 WeakPolarHBondContact O-CA 3.5Å; L49-G53 PolarHBondContact O-N 2.82Å; L49-L135 HydrophobicContact CD2-CD1 4.32Å; L49-L135 HydrophobicContact CD2-CD2 3.85Å; L49-L135 HydrophobicContact CG-CD1 4.04Å; L49-L135 HydrophobicContact CG-CD2 4.45Å
50L97.4Very high96.1Very high139 Ų13952.1 Ų52.173%0.72829%0.287SS*.Hα-helixtrans-68.3-36.8179.3-68.5174.5000112.7L46 V47L46-L50 HydrophobicContact CD1-CD1 4.03Å; L46-L50 HydrophobicContact CD1-CG 4.14Å; L46-L50 HydrophobicContact CG-CD1 3.93Å; L46-L50 HydrophobicContact CG-CG 4.42Å; L46-L50 WeakPolarHBondContact O-CB 3.21Å; L46-L50 VanDerWaalsContact O-CG 3.29Å; L46-L50 WeakPolarHBondContact O-CG 3.46Å; L46-L50 PolarHBondContact O-N 3.12Å; V47-L50 PolarHBondContact O-N 3.38Å
51R96.9Very high96.2Very high174 Ų17453.2 Ų53.266%0.65730%0.3SS*.Hα-helixtrans-84.1-41.9-175.4-169.8-175.2174.3140-1.5113.4V47 I62V47-R51 VanDerWaalsContact O-CB 3.25Å; V47-R51 WeakPolarHBondContact O-CB 3.42Å; V47-R51 PolarHBondContact O-N 2.99Å; R51-I62 HydrophobicContact CB-CD1 4.43Å
52H96.8Very high96.1Very high68 Ų6853.1 Ų53.132%0.31530%0.298SS..Hα-helixtrans-120.9-1.7-171.1-59.8145.9000113.7C48 G54 T56 N59C48-H52 PolarHBondContact O-N 2.86Å; H52-G54 PolarHBondContact O-N 2.95Å; H52-G54 VanDerWaalsContact O-N 3.08Å; H52-T56 HydrophobicContact CB-CG2 3.7Å; H52-N59 PolarHBondContact ND1-OD1 2.83Å
53G95Very high96Very high66 Ų6651.7 Ų51.768%0.6828%0.284SS*.SBendtrans72.8-3.5174.500000115.6L49L49-G53 WeakPolarHBondContact O-CA 3.5Å; L49-G53 PolarHBondContact O-N 2.82Å
54G94.9Very high95.9Very high19 Ų1949 Ų4920%0.19627%0.268CS..SBendtrans165.9-152.8-178.200000115.1H52 T56 N59H52-G54 PolarHBondContact O-N 2.95Å; H52-G54 VanDerWaalsContact O-N 3.08Å; G54-T56 PolarHBondContact O-N 3.31Å; G54-N59 PolarHBondContact O-ND2 2.79Å
55R95.9Very high95.8Very high73 Ų7357.7 Ų57.728%0.27530%0.301SS..  trans-73.5118.3-177.3170.6172.7178.6129.44.6111.1Y134 L135 G137 V138R55-Y134 HydrophobicContact CB-CD1 4.46Å; R55-Y134 HydrophobicContact CB-CE1 3.97Å; R55-Y134 VanDerWaalsContact CD-O 3.31Å; R55-Y134 WeakPolarHBondContact CD-O 3.42Å; R55-Y134 VanDerWaalsContact CG-O 3.24Å; R55-Y134 WeakPolarHBondContact CG-O 3.25Å; R55-Y134 PolarHBondContact NH1-O 3.36Å; R55-L135 WeakPolarHBondContact CA-O 3.3Å; R55-G137 VanDerWaalsContact NH2-C 3.27Å; R55-G137 PolarHBondContact NH2-O 3.41Å; R55-V138 PolarHBondContact NH1-O 3Å; R55-V138 PolarHBondContact NH2-O 3Å
56T95.4Very high95.6Very high41 Ų4158.6 Ų58.625%0.25230%0.304SS..  trans-158.8152177.9-153.80000111.4H52 G54 E58 N59 L135 G136H52-T56 HydrophobicContact CB-CG2 3.7Å; G54-T56 PolarHBondContact O-N 3.31Å; T56-E58 WeakPolarHBondContact CB-OE2 3.36Å; T56-E58 HydrophobicContact CG2-CB 4.01Å; T56-E58 WeakPolarHBondContact CG2-OE2 3.48Å; T56-E58 PolarHBondContact O-N 3.22Å; T56-E58 PolarHBondContact OG1-OE2 2.86Å; T56-N59 WeakPolarHBondContact O-CB 3.34Å; T56-N59 PolarHBondContact O-N 2.84Å; T56-L135 PolarHBondContact N-O 3.08Å; T56-L135 VanDerWaalsContact O-O 3.05Å; T56-G136 CarbonylContact O-C 3.54Å
57V95.1Very high95.2Very high9 Ų954.6 Ų54.66%0.05528%0.284CS..THydrogen-bonded Turntrans-69.5-25.4-177.267.50000112.2N59 M60 R114 V116 L165V57-N59 PolarHBondContact O-N 3Å; V57-M60 VanDerWaalsContact O-CB 3.25Å; V57-M60 WeakPolarHBondContact O-CB 3.13Å; V57-M60 PolarHBondContact O-N 3.03Å; V57-R114 HydrophobicContact CG1-CB 4.43Å; V57-R114 HydrophobicContact CG1-CG 4.38Å; V57-R114 HydrophobicContact CG2-CB 4.5Å; V57-V116 HydrophobicContact CB-CG1 4.25Å; V57-V116 HydrophobicContact CG2-CG1 3.63Å; V57-L165 HydrophobicContact CB-CD2 4.35Å; V57-L165 HydrophobicContact CG1-CD2 4.03Å; V57-L165 HydrophobicContact CG2-CD2 4.3Å
58E95.3Very high94.8Very high72 Ų7256.9 Ų56.934%0.33629%0.287SS..THydrogen-bonded Turntrans-61.9-24.7178.5-64.971.3-158.600111.8T56 M60 S61 R114T56-E58 WeakPolarHBondContact CB-OE2 3.36Å; T56-E58 HydrophobicContact CG2-CB 4.01Å; T56-E58 WeakPolarHBondContact CG2-OE2 3.48Å; T56-E58 PolarHBondContact O-N 3.22Å; T56-E58 PolarHBondContact OG1-OE2 2.86Å; E58-M60 PolarHBondContact O-N 3.1Å; E58-S61 PolarHBondContact O-N 3.34Å; E58-S61 PolarHBondContact O-OG 3Å; E58-R114 IonicContact OE1-CZ 3.34Å; E58-R114 IonicContact OE1-NH1 3.55Å; E58-R114 PolarHBondContact OE1-NH1 3.15Å
59N96.9Very high94.2Very high0 Ų059 Ų590%030%0.302CS..Hα-helixtrans-60.3-24.1172.6-76.3-31.4000112.9C48 H52 G54 T56 V57 S61 I62 I63 L135C48-N59 HydrophobicContact CB-CB 4.37Å; C48-N59 VanDerWaalsContact CB-OD1 3.3Å; C48-N59 WeakPolarHBondContact CB-OD1 3.42Å; C48-N59 PolarHBondContact SG-OD1 3Å; H52-N59 PolarHBondContact ND1-OD1 2.83Å; G54-N59 PolarHBondContact O-ND2 2.79Å; T56-N59 WeakPolarHBondContact O-CB 3.34Å; T56-N59 PolarHBondContact O-N 2.84Å; V57-N59 PolarHBondContact O-N 3Å; N59-S61 PolarHBondContact O-N 3.41Å; N59-I62 WeakPolarHBondContact O-CB 3.43Å; N59-I62 PolarHBondContact O-N 2.78Å; N59-I63 HydrophobicContact CB-CD1 4.45Å; N59-I63 VanDerWaalsContact O-CG1 3.3Å; N59-I63 WeakPolarHBondContact O-CG1 3.29Å; N59-I63 PolarHBondContact O-N 2.96Å; N59-L135 PolarHBondContact ND2-O 2.83Å
60M95.9Very high93.5Very high8 Ų855.5 Ų55.54%0.03928%0.283CS..Hα-helixtrans-61.1-28.2178.8-75.9-65.5177.500113.4V57 E58 I63 S64 L111 G136 V138V57-M60 VanDerWaalsContact O-CB 3.25Å; V57-M60 WeakPolarHBondContact O-CB 3.13Å; V57-M60 PolarHBondContact O-N 3.03Å; E58-M60 PolarHBondContact O-N 3.1Å; M60-I63 PolarHBondContact O-N 2.83Å; M60-I63 HydrophobicContact SD-CD1 3.98Å; M60-S64 WeakPolarHBondContact O-CB 3.44Å; M60-S64 PolarHBondContact O-N 2.75Å; M60-L111 HydrophobicContact CB-CD2 3.91Å; M60-L111 HydrophobicContact CG-CD2 4.48Å; M60-L111 HydrophobicContact SD-CD2 4.35Å; M60-G136 VanDerWaalsContact CE-O 3.22Å; M60-G136 WeakPolarHBondContact CE-O 3.25Å; M60-G136 WeakPolarHBondContact CG-O 3.15Å; M60-V138 HydrophobicContact CE-CG2 3.41Å; M60-V138 VanDerWaalsContact CE-CG2 3.41Å
61S94.1Very high92.8Very high76 Ų7649.7 Ų49.753%0.53125%0.252SS..Hα-helixtrans-64.3-43173.663.80000111.9E58 N59 W65E58-S61 PolarHBondContact O-N 3.34Å; E58-S61 PolarHBondContact O-OG 3Å; N59-S61 PolarHBondContact O-N 3.41Å; S61-W65 PolarHBondContact O-N 2.87Å; S61-W65 VanDerWaalsContact O-N 3.08Å
62I94.9Very high92.2Very high13 Ų1349.5 Ų49.57%0.06725%0.253CS..Hα-helixtrans-64.8-48.3175.9-62.2167.1000109.6V47 R51 N59 S64 W65 F66V47-I62 HydrophobicContact CB-CG2 4.32Å; V47-I62 HydrophobicContact CG1-CD1 4.1Å; V47-I62 HydrophobicContact CG1-CG2 3.9Å; R51-I62 HydrophobicContact CB-CD1 4.43Å; N59-I62 WeakPolarHBondContact O-CB 3.43Å; N59-I62 PolarHBondContact O-N 2.78Å; I62-S64 PolarHBondContact O-N 2.85Å; I62-W65 PolarHBondContact O-N 2.87Å; I62-F66 HydrophobicContact CG2-CD2 3.82Å; I62-F66 HydrophobicContact CG2-CE2 3.67Å; I62-F66 VanDerWaalsContact O-CD2 3.25Å; I62-F66 WeakPolarHBondContact O-CD2 3.33Å; I62-F66 PolarHBondContact O-N 3.29Å; I62-F66 VanDerWaalsContact O-N 3.14Å
63I94.6Very high91.8Very high17 Ų1753.4 Ų53.49%0.08727%0.269CS..Hα-helixtrans-60.3-47.9-179.3-62168.2000110.7N59 M60 W65 F66 V67 M108 I132N59-I63 HydrophobicContact CB-CD1 4.45Å; N59-I63 VanDerWaalsContact O-CG1 3.3Å; N59-I63 WeakPolarHBondContact O-CG1 3.29Å; N59-I63 PolarHBondContact O-N 2.96Å; M60-I63 PolarHBondContact O-N 2.83Å; M60-I63 HydrophobicContact SD-CD1 3.98Å; I63-W65 VanDerWaalsContact C-N 3.34Å; I63-W65 PolarHBondContact O-N 2.89Å; I63-F66 PolarHBondContact O-N 2.86Å; I63-V67 HydrophobicContact CG2-CG2 4.38Å; I63-V67 WeakPolarHBondContact O-CG2 3.29Å; I63-V67 PolarHBondContact O-N 3.3Å; I63-M108 HydrophobicContact CG2-SD 4.25Å; I63-I132 HydrophobicContact CD1-CD1 3.73Å; I63-I132 HydrophobicContact CD1-CG1 3.64Å; I63-I132 WeakPolarHBondContact CD1-O 3.49Å; I63-I132 HydrophobicContact CG1-CD1 3.57Å; I63-I132 HydrophobicContact CG1-CG1 3.53Å; I63-I132 HydrophobicContact CG2-CG1 4.49Å
64S94Very high91.5Very high14 Ų1450.9 Ų50.910%0.09824%0.239CC..Hα-helixtrans-57.8-46.3177.3169.70000111.1M60 I62 F66 V67 R68 M108M60-S64 WeakPolarHBondContact O-CB 3.44Å; M60-S64 PolarHBondContact O-N 2.75Å; I62-S64 PolarHBondContact O-N 2.85Å; S64-F66 VanDerWaalsContact C-N 3.34Å; S64-F66 PolarHBondContact O-N 2.95Å; S64-V67 PolarHBondContact O-N 3.5Å; S64-R68 WeakPolarHBondContact O-CB 3.32Å; S64-R68 WeakPolarHBondContact O-CG 3.19Å; S64-R68 PolarHBondContact O-N 3.16Å; S64-R68 WeakPolarHBondContact OG-CD 3.48Å; S64-M108 PolarHBondContact OG-O 3.14Å
65W93.4Very high91.4Very high185 Ų18551.2 Ų51.270%0.70124%0.243SC*.Hα-helixtrans-56.9-46.6178.4-177.486000112.4S61 I62 I63S61-W65 PolarHBondContact O-N 2.87Å; S61-W65 VanDerWaalsContact O-N 3.08Å; I62-W65 PolarHBondContact O-N 2.87Å; I63-W65 VanDerWaalsContact C-N 3.34Å; I63-W65 PolarHBondContact O-N 2.89Å
66F92Very high91.3Very high21 Ų2148 Ų489%0.09223%0.231CC..Hα-helixtrans-62.6-47.3177-82.1-68.9000112.4M40 V43 A44 V47 I62 I63 S64 S69 F70M40-F66 HydrophobicContact CE-CD1 3.31Å; M40-F66 HydrophobicContact CE-CE1 3.65Å; M40-F66 HydrophobicContact CE-CG 4.47Å; V43-F66 HydrophobicContact CG1-CE1 4.07Å; V43-F66 HydrophobicContact CG1-CZ 3.9Å; A44-F66 HydrophobicContact CB-CD2 3.51Å; A44-F66 HydrophobicContact CB-CE2 3.79Å; A44-F66 HydrophobicContact CB-CG 4.18Å; V47-F66 HydrophobicContact CG2-CE2 4.42Å; V47-F66 HydrophobicContact CG2-CZ 4.35Å; I62-F66 HydrophobicContact CG2-CD2 3.82Å; I62-F66 HydrophobicContact CG2-CE2 3.67Å; I62-F66 VanDerWaalsContact O-CD2 3.25Å; I62-F66 WeakPolarHBondContact O-CD2 3.33Å; I62-F66 PolarHBondContact O-N 3.29Å; I62-F66 VanDerWaalsContact O-N 3.14Å; I63-F66 PolarHBondContact O-N 2.86Å; S64-F66 VanDerWaalsContact C-N 3.34Å; S64-F66 PolarHBondContact O-N 2.95Å; F66-S69 WeakPolarHBondContact O-CB 3.42Å; F66-S69 PolarHBondContact O-N 3.19Å; F66-S69 PolarHBondContact O-OG 3.46Å; F66-F70 WeakPolarHBondContact O-CE1 3.26Å
67V88.5Confident91.2Very high20 Ų2054.2 Ų54.212%0.12125%0.25CC..Hα-helixtrans-70.4-36.1-176.9176.90000112.2I63 S64 S69 F70 M104 M105 M108I63-V67 HydrophobicContact CG2-CG2 4.38Å; I63-V67 WeakPolarHBondContact O-CG2 3.29Å; I63-V67 PolarHBondContact O-N 3.3Å; S64-V67 PolarHBondContact O-N 3.5Å; V67-S69 PolarHBondContact O-N 2.89Å; V67-S69 VanDerWaalsContact O-N 3.16Å; V67-F70 HydrophobicContact CG1-CD2 4.46Å; V67-F70 VanDerWaalsContact O-CB 3.31Å; V67-F70 WeakPolarHBondContact O-CB 3.38Å; V67-F70 WeakPolarHBondContact O-CG 3.32Å; V67-F70 PolarHBondContact O-N 3.44Å; V67-M104 HydrophobicContact CG1-CG 4.26Å; V67-M105 HydrophobicContact CG1-CG 4.44Å; V67-M108 HydrophobicContact CB-CB 4.05Å; V67-M108 HydrophobicContact CB-CG 3.8Å; V67-M108 HydrophobicContact CG1-CB 3.93Å; V67-M108 HydrophobicContact CG1-CG 3.73Å; V67-M108 HydrophobicContact CG2-CG 4.22Å
68R89Confident91.2Very high101 Ų10155.1 Ų55.138%0.38125%0.253SS..Hα-helixtrans-61.8-23.5178.7-74.4178.478.8-174.55.5112.7S64 F70 K71 M108 E109S64-R68 WeakPolarHBondContact O-CB 3.32Å; S64-R68 WeakPolarHBondContact O-CG 3.19Å; S64-R68 PolarHBondContact O-N 3.16Å; S64-R68 WeakPolarHBondContact OG-CD 3.48Å; R68-F70 PolarHBondContact O-N 3.39Å; R68-K71 WeakPolarHBondContact O-CG 3.37Å; R68-M108 WeakPolarHBondContact CD-O 3.39Å; R68-M108 HydrophobicContact CG-CB 4.34Å; R68-E109 IonicContact CZ-OE1 3.89Å; R68-E109 IonicContact CZ-OE2 3.21Å; R68-E109 IonicContact NE-OE1 2.8Å; R68-E109 IonicContact NE-OE2 2.69Å; R68-E109 PolarHBondContact NE-OE2 2.89Å; R68-E109 IonicContact NH2-OE1 2.89Å; R68-E109 PolarHBondContact NH2-OE1 2.82Å; R68-E109 IonicContact NH2-OE2 3.74Å; R68-E109 PolarHBondContact NH2-OE2 2.98Å
69S84.8Confident91.3Very high46 Ų4656.5 Ų56.532%0.32226%0.258SS..THydrogen-bonded Turntrans-64.9-26.2173.4750000112.9F66 V67 K71F66-S69 WeakPolarHBondContact O-CB 3.42Å; F66-S69 PolarHBondContact O-N 3.19Å; F66-S69 PolarHBondContact O-OG 3.46Å; V67-S69 PolarHBondContact O-N 2.89Å; V67-S69 VanDerWaalsContact O-N 3.16Å; S69-K71 PolarHBondContact O-N 3.48Å
70F83.1Confident91.3Very high4 Ų458.5 Ų58.52%0.01827%0.27CS..Hα-helixtrans-69.1-35.1-172.7-63.8-0.4000112.4Y33 L36 M40 F66 V67 R68 Y72 F73 Y74 M105Y33-F70 HydrophobicContact CE2-CD2 4.31Å; L36-F70 HydrophobicContact CB-CE1 4.34Å; L36-F70 HydrophobicContact CB-CE2 4.26Å; L36-F70 HydrophobicContact CB-CZ 4.1Å; M40-F70 HydrophobicContact CB-CE1 4.14Å; M40-F70 HydrophobicContact CB-CZ 3.78Å; M40-F70 HydrophobicContact CG-CE1 3.69Å; M40-F70 HydrophobicContact CG-CZ 3.71Å; F66-F70 WeakPolarHBondContact O-CE1 3.26Å; V67-F70 HydrophobicContact CG1-CD2 4.46Å; V67-F70 VanDerWaalsContact O-CB 3.31Å; V67-F70 WeakPolarHBondContact O-CB 3.38Å; V67-F70 WeakPolarHBondContact O-CG 3.32Å; V67-F70 PolarHBondContact O-N 3.44Å; R68-F70 PolarHBondContact O-N 3.39Å; F70-Y72 PolarHBondContact O-N 3.44Å; F70-Y72 VanDerWaalsContact O-N 3.08Å; F70-F73 PolarHBondContact O-N 3.45Å; F70-Y74 WeakPolarHBondContact O-CD2 3.45Å; F70-M105 HydrophobicContact CB-CE 4.35Å; F70-M105 HydrophobicContact CB-SD 4.21Å
71K82.9Confident91.4Very high17 Ų1763.3 Ų63.37%0.07429%0.288CS..Hα-helixtrans-56.6-32.9-172.677.6-173.6178178.50112.2R68 S69 Y74 G75 L76 F78 M105 E109R68-K71 WeakPolarHBondContact O-CG 3.37Å; S69-K71 PolarHBondContact O-N 3.48Å; K71-Y74 CarbonylContact O-C 3.56Å; K71-Y74 PolarHBondContact O-N 3.04Å; K71-G75 PolarHBondContact O-N 2.8Å; K71-G75 VanDerWaalsContact O-N 3.07Å; K71-L76 HydrophobicContact CB-CB 4.17Å; K71-L76 PolarHBondContact O-N 2.89Å; K71-F78 HydrophobicContact CB-CE2 4.24Å; K71-F78 HydrophobicContact CD-CD2 4.04Å; K71-F78 HydrophobicContact CD-CE2 4.26Å; K71-M105 HydrophobicContact CB-SD 4.2Å; K71-E109 IonicContact NZ-OE1 3.66Å; K71-E109 PolarHBondContact NZ-OE1 3.29Å; K71-E109 IonicContact NZ-OE2 3.63Å; K71-E109 PolarHBondContact NZ-OE2 2.79Å
72Y84.7Confident91.5Very high170 Ų17062.6 Ų62.667%0.66728%0.278SS*.Hα-helixtrans-68.3-37.6-179.8-61.2-64.5000112.6F70 Y74 G75F70-Y72 PolarHBondContact O-N 3.44Å; F70-Y72 VanDerWaalsContact O-N 3.08Å; Y72-Y74 PolarHBondContact O-N 2.95Å; Y72-G75 PolarHBondContact O-N 2.91Å; Y72-G75 VanDerWaalsContact O-N 3.14Å
73F86.8Confident91.5Very high150 Ų15066 Ų6666%0.65829%0.293SS*.Hα-helixtrans-63.8-29175.4-67.9-74.5000112.9F70F70-F73 PolarHBondContact O-N 3.45Å
74Y89.6Confident91.5Very high12 Ų1269.6 Ų69.65%0.04731%0.31CS..THydrogen-bonded Turntrans-96.60.9178.4-65.3-79000113.1K29 L32 Y33 L36 F70 K71 Y72 L76 M105 F218K29-Y74 HydrophobicContact CB-CE1 4.14Å; K29-Y74 HydrophobicContact CG-CE1 4.5Å; K29-Y74 PolarHBondContact O-OH 2.78Å; L32-Y74 WeakPolarHBondContact CG-OH 3.24Å; Y33-Y74 WeakPolarHBondContact CA-OH 3.26Å; Y33-Y74 WeakPolarHBondContact CB-OH 3.28Å; Y33-Y74 HydrophobicContact CD2-CE2 4.1Å; Y33-Y74 PolarHBondContact N-OH 2.95Å; L36-Y74 HydrophobicContact CD1-CE2 4.39Å; F70-Y74 WeakPolarHBondContact O-CD2 3.45Å; K71-Y74 CarbonylContact O-C 3.56Å; K71-Y74 PolarHBondContact O-N 3.04Å; Y72-Y74 PolarHBondContact O-N 2.95Å; Y74-L76 PolarHBondContact O-N 2.74Å; Y74-M105 HydrophobicContact CD2-CE 3.74Å; Y74-M105 HydrophobicContact CE2-CE 4.18Å; Y74-M105 HydrophobicContact CG-CE 4.36Å; Y74-F218 AromaticContact CD1-CE1 3.66Å; Y74-F218 HydrophobicContact CD1-CE1 3.66Å; Y74-F218 AromaticContact CD1-CE2 3.67Å; Y74-F218 HydrophobicContact CD1-CE2 3.67Å; Y74-F218 AromaticContact CD1-CZ 3.17Å; Y74-F218 HydrophobicContact CD1-CZ 3.17Å; Y74-F218 AromaticContact CE1-CE1 3.68Å; Y74-F218 HydrophobicContact CE1-CE1 3.68Å; Y74-F218 AromaticContact CE1-CZ 3.66Å; Y74-F218 HydrophobicContact CE1-CZ 3.66Å; Y74-F218 HydrophobicContact CG-CE2 4.16Å; Y74-F218 AromaticContact CG-CZ 3.78Å; Y74-F218 HydrophobicContact CG-CZ 3.78Å
75G92.1Very high91.5Very high27 Ų2771.2 Ų71.228%0.27831%0.314SS..THydrogen-bonded Turntrans58.732.3-175.100000113.3K71 Y72 S220 G221K71-G75 PolarHBondContact O-N 2.8Å; K71-G75 VanDerWaalsContact O-N 3.07Å; Y72-G75 PolarHBondContact O-N 2.91Å; Y72-G75 VanDerWaalsContact O-N 3.14Å; G75-S220 WeakPolarHBondContact O-CA 2.97Å; G75-S220 VanDerWaalsContact O-CB 3.31Å; G75-S220 WeakPolarHBondContact O-CB 3.15Å; G75-G221 PolarHBondContact O-N 3.41Å
76L93.6Very high91.4Very high4 Ų462.5 Ų62.52%0.02128%0.281CS..EExtended strand (participates in β ladder)trans-89.2129.3177.7-60.2-177.8000110.4K71 Y74 F78 L102 M105 F210 G221K71-L76 HydrophobicContact CB-CB 4.17Å; K71-L76 PolarHBondContact O-N 2.89Å; Y74-L76 PolarHBondContact O-N 2.74Å; L76-F78 HydrophobicContact CB-CE2 4.35Å; L76-L102 HydrophobicContact CD1-CD1 4.17Å; L76-M105 HydrophobicContact CD1-CE 4.23Å; L76-M105 HydrophobicContact CD1-SD 3.84Å; L76-F210 HydrophobicContact CD1-CE2 4.41Å; L76-F210 HydrophobicContact CD2-CD2 3.55Å; L76-F210 HydrophobicContact CD2-CE2 3.38Å; L76-F210 HydrophobicContact CD2-CG 4.43Å; L76-F210 HydrophobicContact CD2-CZ 4.13Å; L76-G221 WeakPolarHBondContact CA-O 3.48Å
77R94.7Very high91.1Very high173 Ų17365.4 Ų65.465%0.65330%0.295SS*.EExtended strand (participates in β ladder)trans-115.3146.5174.8-59.8-175.9-177.7-152.90.9109.6G221 T222 V223R77-G221 PolarHBondContact N-O 2.95Å; R77-T222 HydrophobicContact CB-CG2 4.29Å; R77-T222 CarbonylContact O-C 3.57Å; R77-T222 WeakPolarHBondContact O-CA 3.27Å; R77-V223 PolarHBondContact O-N 3.5Å
78F94.8Very high91.2Very high28 Ų2870.8 Ų70.812%0.12332%0.319CS..EExtended strand (participates in β ladder)trans-120.2121.1176.9-69.5-91.2000108.9K71 L76 V80 M105 E109 V223 V225K71-F78 HydrophobicContact CB-CE2 4.24Å; K71-F78 HydrophobicContact CD-CD2 4.04Å; K71-F78 HydrophobicContact CD-CE2 4.26Å; L76-F78 HydrophobicContact CB-CE2 4.35Å; F78-V80 HydrophobicContact CB-CG2 4.43Å; F78-M105 HydrophobicContact CE2-CB 4.37Å; F78-M105 HydrophobicContact CZ-CB 4.11Å; F78-E109 HydrophobicContact CB-CG 3.79Å; F78-E109 HydrophobicContact CD2-CB 4.35Å; F78-E109 HydrophobicContact CD2-CG 4.16Å; F78-E109 HydrophobicContact CG-CB 4.27Å; F78-E109 HydrophobicContact CG-CG 3.97Å; F78-V223 CarbonylContact C-O 3.47Å; F78-V223 WeakPolarHBondContact CA-O 3.41Å; F78-V223 HydrophobicContact CD1-CB 3.7Å; F78-V223 HydrophobicContact CD1-CG1 4.01Å; F78-V223 HydrophobicContact CD1-CG2 4.39Å; F78-V223 HydrophobicContact CE1-CB 3.72Å; F78-V223 HydrophobicContact CE1-CG1 3.96Å; F78-V223 HydrophobicContact CE1-CG2 3.95Å; F78-V223 HydrophobicContact CZ-CG2 4.43Å; F78-V225 HydrophobicContact CD1-CG2 4Å
79K96.4Very high90.8Very high100 Ų10066.6 Ų66.644%0.43531%0.306SS..EExtended strand (participates in β ladder)trans-101.4102.1171.6-72.1-175.8178.7-176.90107.4T222 V223 T224 V225 E265K79-T222 HydrophobicContact CB-CG2 4.41Å; K79-T222 HydrophobicContact CD-CG2 3.82Å; K79-T222 HydrophobicContact CG-CG2 3.73Å; K79-V223 PolarHBondContact N-O 3.32Å; K79-T224 WeakPolarHBondContact O-CA 3.47Å; K79-V225 PolarHBondContact O-N 2.7Å; K79-E265 IonicContact NZ-OE2 2.72Å
80V96.9Very high90.9Very high42 Ų4272.4 Ų72.426%0.25532%0.32SS..EExtended strand (participates in β ladder)trans-96.8127-175.8-168.60000109.6F78 Q83 V110 V225F78-V80 HydrophobicContact CB-CG2 4.43Å; V80-Q83 HydrophobicContact CG1-CB 3.85Å; V80-Q83 HydrophobicContact CG1-CG 4.19Å; V80-V110 HydrophobicContact CB-CG1 4.28Å; V80-V110 HydrophobicContact CG1-CG1 3.68Å; V80-V110 HydrophobicContact CG2-CG1 3.53Å; V80-V225 WeakPolarHBondContact CA-O 3.43Å; V80-V225 HydrophobicContact CG1-CB 4.31Å; V80-V225 HydrophobicContact CG2-CB 4.35Å; V80-V225 HydrophobicContact CG2-CG2 4.45Å
81R97.8Very high91.5Very high110 Ų11073.6 Ų73.642%0.41533%0.329SS..EExtended strand (participates in β ladder)trans-110141.6175.9-63.4178.1179176.5-0.4109.7Q83 V225 Q226 V227R81-Q83 VanDerWaalsContact C-N 3.26Å; R81-Q83 PolarHBondContact O-N 2.72Å; R81-V225 PolarHBondContact N-O 3.05Å; R81-Q226 VanDerWaalsContact CB-OE1 3.31Å; R81-V227 PolarHBondContact O-N 3.4Å
82D97.1Very high92.2Very high61 Ų6172.8 Ų72.833%0.32633%0.325SS..SBendtrans57.433.8175.6-57-60.7000115H84 R85 Q226 V227D82-H84 PolarHBondContact O-N 2.89Å; D82-H84 VanDerWaalsContact O-N 3.11Å; D82-H84 IonicContact OD1-CE1 2.65Å; D82-R85 HydrophobicContact CB-CG 4.45Å; D82-R85 PolarHBondContact O-N 2.49Å; D82-Q226 PolarHBondContact OD2-NE2 2.94Å; D82-V227 HydrophobicContact CB-CB 4.41Å; D82-V227 WeakPolarHBondContact O-CB 3.32Å
83Q95.1Very high92.8Very high84 Ų8464.7 Ų64.739%0.39329%0.293SS..THydrogen-bonded Turntrans-58.6-26.7-178.5-171.2173.4-12.700113.9V80 R81 R85 L86V80-Q83 HydrophobicContact CG1-CB 3.85Å; V80-Q83 HydrophobicContact CG1-CG 4.19Å; R81-Q83 VanDerWaalsContact C-N 3.26Å; R81-Q83 PolarHBondContact O-N 2.72Å; Q83-R85 PolarHBondContact O-N 2.95Å; Q83-L86 WeakPolarHBondContact O-CB 3.47Å; Q83-L86 PolarHBondContact O-N 2.69Å; Q83-L86 VanDerWaalsContact O-N 3.1Å
84H94.3Very high93.4Very high93 Ų9357.6 Ų57.643%0.43126%0.262SS..THydrogen-bonded Turntrans-54.6-34178.962.1-86.8000112.6D82 L86 Q87 E88D82-H84 PolarHBondContact O-N 2.89Å; D82-H84 VanDerWaalsContact O-N 3.11Å; D82-H84 IonicContact OD1-CE1 2.65Å; H84-L86 PolarHBondContact O-N 2.8Å; H84-Q87 WeakPolarHBondContact O-CA 3.22Å; H84-Q87 WeakPolarHBondContact O-CB 3.35Å; H84-Q87 PolarHBondContact O-N 2.86Å; H84-E88 IonicContact CD2-OE1 3.01Å; H84-E88 PolarHBondContact CD2-OE1 3.09Å; H84-E88 IonicContact CD2-OE2 3.43Å; H84-E88 PolarHBondContact O-N 3.44Å
85R94.8Very high93.8Very high48 Ų4857 Ų5718%0.18126%0.26CS..Hα-helixtrans-61.8-29.9-179.8-60.2178-178.1-168.6-9.8113.4D82 Q83 Q87 A89 V227 E229D82-R85 HydrophobicContact CB-CG 4.45Å; D82-R85 PolarHBondContact O-N 2.49Å; Q83-R85 PolarHBondContact O-N 2.95Å; R85-Q87 PolarHBondContact O-N 3.49Å; R85-A89 PolarHBondContact O-N 2.97Å; R85-V227 HydrophobicContact CB-CG1 3.78Å; R85-E229 VanDerWaalsContact CZ-CD 3.49Å; R85-E229 IonicContact CZ-OE1 2.95Å; R85-E229 IonicContact NE-OE1 3.76Å; R85-E229 IonicContact NH1-OE1 3.33Å; R85-E229 PolarHBondContact NH1-OE1 2.81Å; R85-E229 IonicContact NH2-OE1 2.8Å; R85-E229 PolarHBondContact NH2-OE1 3.34Å
86L91.3Very high94.1Very high1 Ų155.7 Ų55.71%0.00525%0.246CC..Hα-helixtrans-70.6-19.4174.8-71.9172.6000112.9Q83 H84 I94 V110 P112 K166 V200 V202 V227Q83-L86 WeakPolarHBondContact O-CB 3.47Å; Q83-L86 PolarHBondContact O-N 2.69Å; Q83-L86 VanDerWaalsContact O-N 3.1Å; H84-L86 PolarHBondContact O-N 2.8Å; L86-I94 HydrophobicContact CD2-CD1 3.85Å; L86-I94 HydrophobicContact CD2-CG1 4.17Å; L86-I94 HydrophobicContact CD2-CG2 4.35Å; L86-V110 HydrophobicContact CD1-CB 4.16Å; L86-V110 HydrophobicContact CD1-CG2 4.43Å; L86-V110 WeakPolarHBondContact CD1-O 3.5Å; L86-P112 HydrophobicContact CB-CB 4.17Å; L86-P112 HydrophobicContact CB-CG 4.37Å; L86-K166 WeakPolarHBondContact O-CE 3.12Å; L86-K166 PolarHBondContact O-NZ 2.83Å; L86-V200 HydrophobicContact CD2-CG1 3.98Å; L86-V202 HydrophobicContact CD1-CG2 4.49Å; L86-V202 HydrophobicContact CD2-CG2 3.84Å; L86-V227 HydrophobicContact CD1-CG2 3.8Å; L86-V227 HydrophobicContact CD2-CG1 4.21Å; L86-V227 HydrophobicContact CG-CG1 3.9Å; L86-V227 HydrophobicContact CG-CG2 3.95Å
87Q85.9Confident94.3Very high82 Ų8255.5 Ų55.538%0.38325%0.245SC..Hα-helixtrans-91.8-35.4177.2-58.4-60.4-3.400112.1H84 R85H84-Q87 WeakPolarHBondContact O-CA 3.22Å; H84-Q87 WeakPolarHBondContact O-CB 3.35Å; H84-Q87 PolarHBondContact O-N 2.86Å; R85-Q87 PolarHBondContact O-N 3.49Å
88E88.9Confident94.4Very high134 Ų13448.7 Ų48.763%0.62622%0.221SC*.Hα-helixtrans-69.4-43-178.4-69.1167.2-179.500112.9H84 R90H84-E88 IonicContact CD2-OE1 3.01Å; H84-E88 PolarHBondContact CD2-OE1 3.09Å; H84-E88 IonicContact CD2-OE2 3.43Å; H84-E88 PolarHBondContact O-N 3.44Å; E88-R90 PolarHBondContact O-N 2.92Å
89A81.3Confident94.5Very high13 Ų1348 Ų4811%0.10722%0.218CC..  trans-81.4107.8-178.200000111.7R85 C92 K166 V200R85-A89 PolarHBondContact O-N 2.97Å; A89-C92 HydrophobicContact CB-CB 4.1Å; A89-C92 PolarHBondContact O-SG 3.43Å; A89-K166 WeakPolarHBondContact O-CE 3.32Å; A89-V200 HydrophobicContact CB-CG2 3.56Å
90R86.4Confident94.4Very high168 Ų16843.7 Ų43.763%0.63420%0.2SC*.  trans-153.8139.6173.462.8-175.7178.9155.5-0.8112.3E88E88-R90 PolarHBondContact O-N 2.92Å
91P95.6Very high94.2Very high29 Ų2943.3 Ų43.319%0.18820%0.197CC..SBendcis-62.3156.6-18.527.8-32.9000110.9M160 N164 L165 V197P91-M160 HydrophobicContact CB-CG 4.02Å; P91-N164 WeakPolarHBondContact CD-OD1 3.31Å; P91-L165 WeakPolarHBondContact CA-O 3.36Å; P91-L165 VanDerWaalsContact CB-O 3.28Å; P91-L165 WeakPolarHBondContact CB-O 3.39Å; P91-V197 HydrophobicContact CB-CG1 4.19Å; P91-V197 HydrophobicContact CG-CG1 3.74Å
92C97.8Very high94Very high0 Ų038.3 Ų38.30%018%0.178CC..EExtended strand (participates in β ladder)trans-157.1160179.170.40000112.8A89 K166 V167 P198 V200A89-C92 HydrophobicContact CB-CB 4.1Å; A89-C92 PolarHBondContact O-SG 3.43Å; C92-K166 WeakPolarHBondContact O-CA 3.35Å; C92-V167 PolarHBondContact O-N 3.35Å; C92-P198 WeakPolarHBondContact CA-O 3.47Å; C92-P198 HydrophobicContact CB-CG 4.06Å; C92-P198 WeakPolarHBondContact CB-O 3.25Å; C92-V200 HydrophobicContact CB-CG2 4.23Å
93V98.1Very high93.9Very high0 Ų035.4 Ų35.40%016%0.163CC..EExtended strand (participates in β ladder)trans-97.1120.21681770000108.6V95 M160 V167 I169 A188 L191 A192 V197 P198 I199 V200V93-V95 HydrophobicContact CG1-CG1 4.15Å; V93-M160 HydrophobicContact CG2-CE 4.27Å; V93-M160 HydrophobicContact CG2-SD 4.03Å; V93-V167 CarbonylContact C-O 3.58Å; V93-V167 WeakPolarHBondContact CA-O 3.18Å; V93-I169 HydrophobicContact CG1-CD1 4Å; V93-I169 HydrophobicContact CG1-CG1 4.48Å; V93-A188 HydrophobicContact CG1-CB 4.18Å; V93-L191 HydrophobicContact CG2-CD2 3.89Å; V93-L191 HydrophobicContact CG2-CG 3.95Å; V93-A192 HydrophobicContact CB-CB 4.13Å; V93-A192 HydrophobicContact CG2-CB 3.84Å; V93-V197 HydrophobicContact CG2-CG2 4.01Å; V93-P198 PolarHBondContact N-O 3.38Å; V93-I199 HydrophobicContact CB-CG1 4.48Å; V93-I199 CarbonylContact O-C 3.58Å; V93-I199 VanDerWaalsContact O-CA 3.23Å; V93-I199 WeakPolarHBondContact O-CA 3.36Å; V93-V200 PolarHBondContact O-N 2.98Å
94I98.5Very high93.8Very high0 Ų034.7 Ų34.70%016%0.16CC..EExtended strand (participates in β ladder)trans-95.8129.7174.5-58.8163.6000108.4L86 P112 K166 V167 W168 I169 V200 V202L86-I94 HydrophobicContact CD2-CD1 3.85Å; L86-I94 HydrophobicContact CD2-CG1 4.17Å; L86-I94 HydrophobicContact CD2-CG2 4.35Å; I94-P112 HydrophobicContact CD1-CG 3.61Å; I94-K166 HydrophobicContact CD1-CB 4.03Å; I94-K166 HydrophobicContact CD1-CD 4.32Å; I94-V167 PolarHBondContact N-O 3.46Å; I94-W168 HydrophobicContact CB-CD2 4.08Å; I94-W168 HydrophobicContact CB-CE3 3.96Å; I94-W168 HydrophobicContact CB-CG 4.38Å; I94-W168 HydrophobicContact CD1-CE3 3.76Å; I94-W168 HydrophobicContact CD1-CZ3 4.14Å; I94-W168 HydrophobicContact CG1-CE3 4.47Å; I94-W168 HydrophobicContact CG2-CD2 3.63Å; I94-W168 HydrophobicContact CG2-CE3 3.5Å; I94-W168 VanDerWaalsContact CG2-CE3 3.5Å; I94-W168 HydrophobicContact CG2-CG 4.33Å; I94-W168 HydrophobicContact CG2-CH2 3.92Å; I94-W168 HydrophobicContact CG2-CZ2 4.03Å; I94-W168 HydrophobicContact CG2-CZ3 3.66Å; I94-W168 WeakPolarHBondContact O-CA 3.35Å; I94-I169 PolarHBondContact O-N 2.87Å; I94-V200 WeakPolarHBondContact CA-O 3.09Å; I94-V200 HydrophobicContact CG1-CB 4.32Å; I94-V202 HydrophobicContact CG2-CB 4.44Å; I94-V202 HydrophobicContact CG2-CG2 3.66Å
95V98.5Very high93.7Very high0 Ų030.4 Ų30.40%014%0.14CC..EExtended strand (participates in β ladder)trans-118.4135.7176.1-64.50000111.3V93 I169 P171 A188 I199 V200 P201 V202 M252V93-V95 HydrophobicContact CG1-CG1 4.15Å; V95-I169 VanDerWaalsContact CA-O 3.29Å; V95-I169 WeakPolarHBondContact CA-O 3.34Å; V95-P171 HydrophobicContact CB-CG 4.09Å; V95-P171 HydrophobicContact CG1-CG 4.43Å; V95-A188 HydrophobicContact CG1-CB 3.87Å; V95-I199 HydrophobicContact CB-CG2 4.48Å; V95-I199 HydrophobicContact CG1-CG2 4.07Å; V95-I199 HydrophobicContact CG2-CG2 3.62Å; V95-V200 PolarHBondContact N-O 2.59Å; V95-P201 HydrophobicContact CG2-CB 4.14Å; V95-P201 CarbonylContact O-C 3.52Å; V95-P201 WeakPolarHBondContact O-CA 3.47Å; V95-V202 PolarHBondContact O-N 3Å; V95-M252 HydrophobicContact CG2-SD 3.85Å
96S98.4Very high93.7Very high0 Ų028.1 Ų28.10%013%0.131CC..EExtended strand (participates in β ladder)trans-140.9154.2177.3700000114.1W168 I169 Y170 P171 V202S96-W168 PolarHBondContact OG-NE1 2.91Å; S96-I169 PolarHBondContact N-O 3.48Å; S96-Y170 VanDerWaalsContact O-CD1 3.27Å; S96-Y170 WeakPolarHBondContact O-CD1 3.32Å; S96-Y170 VanDerWaalsContact OG-CD1 3.24Å; S96-Y170 WeakPolarHBondContact OG-CD1 3.4Å; S96-Y170 WeakPolarHBondContact OG-CE1 3.24Å; S96-P171 VanDerWaalsContact O-CD 3.3Å; S96-P171 WeakPolarHBondContact O-CD 3.45Å; S96-V202 WeakPolarHBondContact CA-O 3.41Å; S96-V202 WeakPolarHBondContact CB-O 3.16Å
97N98.1Very high93.9Very high0 Ų028.2 Ų28.20%013%0.132CC..  trans-66.5150.9172.462-57000111.5Q99 Y170 E172 L181 V203 Y204N97-Q99 PolarHBondContact ND2-NE2 3.32Å; N97-Y170 WeakPolarHBondContact O-CD1 3.44Å; N97-Y170 WeakPolarHBondContact O-CE1 3.45Å; N97-E172 WeakPolarHBondContact CA-OE1 3.36Å; N97-E172 WeakPolarHBondContact CB-OE1 3.28Å; N97-L181 HydrophobicContact CB-CD2 3.43Å; N97-L181 VanDerWaalsContact CB-CD2 3.43Å; N97-V203 WeakPolarHBondContact OD1-CA 3.31Å; N97-Y204 PolarHBondContact ND2-O 3.46Å; N97-Y204 PolarHBondContact OD1-N 3.4Å
98H96.3Very high94.3Very high30 Ų3024.5 Ų24.514%0.13912%0.115CC..  trans-123.1113.4-175.3-162.320.8000110.4D103 Y170 E172 R175 N176H98-D103 IonicContact CE1-OD2 3.73Å; H98-D103 PolarHBondContact CE1-OD2 2.78Å; H98-D103 IonicContact CG-OD2 2.7Å; H98-D103 IonicContact ND1-OD2 2.64Å; H98-D103 PolarHBondContact ND1-OD2 2.93Å; H98-Y170 HydrophobicContact CB-CD1 3.49Å; H98-Y170 VanDerWaalsContact CB-CD1 3.49Å; H98-Y170 HydrophobicContact CB-CE1 4.24Å; H98-Y170 HydrophobicContact CB-CG 3.94Å; H98-Y170 AromaticContact CG-CD1 3.73Å; H98-Y170 AromaticContact CG-CG 3.9Å; H98-Y170 AromaticContact ND1-CD1 3.88Å; H98-Y170 AromaticContact ND1-CE1 3.93Å; H98-E172 PolarHBondContact N-OE1 2.87Å; H98-R175 VanDerWaalsContact CE1-CG 3.44Å; H98-R175 WeakPolarHBondContact CE1-CG 3.29Å; H98-R175 VanDerWaalsContact NE2-CG 3.29Å; H98-R175 WeakPolarHBondContact NE2-CG 3.46Å; H98-R175 CarbonylContact O-C 3.56Å; H98-R175 WeakPolarHBondContact O-CA 3.2Å; H98-N176 PolarHBondContact O-N 3.36Å
99Q96Very high94.5Very high14 Ų1419.4 Ų19.47%0.0659%0.091CC..  trans-113.1-39.4-172.8-61.6-176.88000114.1N97 D103 N176 Y204 S205 S206 F207N97-Q99 PolarHBondContact ND2-NE2 3.32Å; Q99-D103 PolarHBondContact N-OD1 3.38Å; Q99-D103 PolarHBondContact N-OD2 2.98Å; Q99-N176 WeakPolarHBondContact CA-O 3.3Å; Q99-Y204 PolarHBondContact NE2-O 2.93Å; Q99-S205 PolarHBondContact NE2-O 3.35Å; Q99-S206 VanDerWaalsContact OE1-CA 3.25Å; Q99-F207 HydrophobicContact CB-CD2 3.73Å; Q99-F207 HydrophobicContact CB-CE2 3.84Å; Q99-F207 HydrophobicContact CB-CG 4.36Å; Q99-F207 VanDerWaalsContact NE2-CE1 3.32Å
100S95.1Very high95.1Very high8 Ų818.8 Ų18.86%0.0569%0.086CC..SBendtrans-161.2-173-171.376.50000114.2L102 D103 R175 F207 Y211S100-L102 PolarHBondContact O-N 2.96Å; S100-L102 WeakPolarHBondContact OG-CB 3.3Å; S100-L102 PolarHBondContact OG-N 3.26Å; S100-D103 PolarHBondContact N-OD2 2.81Å; S100-R175 PolarHBondContact O-NE 2.98Å; S100-F207 WeakPolarHBondContact OG-CD2 3.46Å; S100-F207 WeakPolarHBondContact OG-CE2 3.5Å; S100-Y211 VanDerWaalsContact CB-CE1 3.5Å
101I92.9Very high95.5Very high35 Ų3512.2 Ų12.218%0.1796%0.063CC..THydrogen-bonded Turntrans-64.2-23167.960.9179.8000112.6V30 Y33 D103 R175V30-I101 HydrophobicContact CG1-CD1 4.34Å; Y33-I101 HydrophobicContact CD1-CD1 3.67Å; Y33-I101 HydrophobicContact CD1-CG1 4.29Å; Y33-I101 HydrophobicContact CE1-CB 3.95Å; Y33-I101 HydrophobicContact CE1-CD1 3.84Å; Y33-I101 HydrophobicContact CE1-CG1 3.98Å; Y33-I101 PolarHBondContact OH-O 2.87Å; I101-D103 VanDerWaalsContact C-N 3.29Å; I101-D103 PolarHBondContact O-N 3.32Å; I101-R175 VanDerWaalsContact CG2-NH1 3.27Å
102L94.4Very high95.5Very high4 Ų411 Ų112%0.0216%0.055CC..THydrogen-bonded Turntrans-77.8-12.5-176.9-53.3-177.5000113.2Y33 L76 S100 M104 M105 G106 F207 F210 Y211 F218Y33-L102 HydrophobicContact CE2-CD2 4.46Å; L76-L102 HydrophobicContact CD1-CD1 4.17Å; S100-L102 PolarHBondContact O-N 2.96Å; S100-L102 WeakPolarHBondContact OG-CB 3.3Å; S100-L102 PolarHBondContact OG-N 3.26Å; L102-M104 PolarHBondContact O-N 2.99Å; L102-M104 VanDerWaalsContact O-N 3.12Å; L102-M105 HydrophobicContact CD2-CE 3.65Å; L102-M105 WeakPolarHBondContact O-CB 3.39Å; L102-M105 PolarHBondContact O-N 3.17Å; L102-G106 PolarHBondContact O-N 3.04Å; L102-F207 HydrophobicContact CB-CE2 4.2Å; L102-F210 HydrophobicContact CD1-CE2 3.87Å; L102-Y211 HydrophobicContact CD1-CD1 4.25Å; L102-Y211 HydrophobicContact CD1-CD2 3.55Å; L102-Y211 HydrophobicContact CD1-CE2 4.14Å; L102-Y211 HydrophobicContact CD1-CG 3.59Å; L102-Y211 HydrophobicContact CG-CD2 4.24Å; L102-Y211 HydrophobicContact CG-CE2 4.35Å; L102-Y211 HydrophobicContact CG-CG 4.4Å; L102-F218 HydrophobicContact CD1-CE2 3.86Å; L102-F218 HydrophobicContact CD1-CZ 4.01Å; L102-F218 HydrophobicContact CD2-CE1 4.33Å; L102-F218 HydrophobicContact CD2-CE2 4.32Å; L102-F218 HydrophobicContact CD2-CZ 3.65Å; L102-F218 HydrophobicContact CG-CZ 4.46Å
103D95.1Very high95.2Very high1 Ų118.1 Ų18.11%0.0059%0.089CC..Hα-helixtrans-57.2-28.5174.9-64.9-42.5000111.7H98 Q99 S100 I101 M105 G106 L107 Y170 F207H98-D103 IonicContact CE1-OD2 3.73Å; H98-D103 PolarHBondContact CE1-OD2 2.78Å; H98-D103 IonicContact CG-OD2 2.7Å; H98-D103 IonicContact ND1-OD2 2.64Å; H98-D103 PolarHBondContact ND1-OD2 2.93Å; Q99-D103 PolarHBondContact N-OD1 3.38Å; Q99-D103 PolarHBondContact N-OD2 2.98Å; S100-D103 PolarHBondContact N-OD2 2.81Å; I101-D103 VanDerWaalsContact C-N 3.29Å; I101-D103 PolarHBondContact O-N 3.32Å; D103-M105 VanDerWaalsContact C-N 3.31Å; D103-M105 PolarHBondContact O-N 3.09Å; D103-G106 PolarHBondContact O-N 3.42Å; D103-L107 VanDerWaalsContact O-CB 3.27Å; D103-L107 WeakPolarHBondContact O-CB 3.35Å; D103-L107 PolarHBondContact O-N 3.41Å; D103-Y170 HydrophobicContact CB-CE1 4.33Å; D103-F207 WeakPolarHBondContact OD1-CE2 3.43Å; D103-F207 VanDerWaalsContact OD1-CZ 3.27Å; D103-F207 WeakPolarHBondContact OD1-CZ 3.26Å
104M92.5Very high95Very high69 Ų6922.7 Ų22.734%0.3411%0.106SC..Hα-helixtrans-58.9-41.1174.1-17762.882.800111.9V67 L102 L107 M108V67-M104 HydrophobicContact CG1-CG 4.26Å; L102-M104 PolarHBondContact O-N 2.99Å; L102-M104 VanDerWaalsContact O-N 3.12Å; M104-L107 HydrophobicContact SD-CD2 4.2Å; M104-M108 WeakPolarHBondContact O-CB 3.33Å; M104-M108 WeakPolarHBondContact O-CG 2.97Å; M104-M108 PolarHBondContact O-N 3.27Å; M104-M108 HydrophobicContact SD-CE 3.74Å; M104-M108 HydrophobicContact SD-CG 4.19Å
105M92.8Very high94.9Very high2 Ų222.7 Ų22.71%0.0111%0.106CC..Hα-helixtrans-67-41.3177.2-63-170.8-146.300111.3Y33 V67 F70 K71 Y74 L76 F78 L102 D103 M108 E109Y33-M105 HydrophobicContact CD2-CE 3.44Å; Y33-M105 VanDerWaalsContact CD2-CE 3.44Å; Y33-M105 HydrophobicContact CE2-CE 3.19Å; Y33-M105 HydrophobicContact CE2-CG 4.35Å; V67-M105 HydrophobicContact CG1-CG 4.44Å; F70-M105 HydrophobicContact CB-CE 4.35Å; F70-M105 HydrophobicContact CB-SD 4.21Å; K71-M105 HydrophobicContact CB-SD 4.2Å; Y74-M105 HydrophobicContact CD2-CE 3.74Å; Y74-M105 HydrophobicContact CE2-CE 4.18Å; Y74-M105 HydrophobicContact CG-CE 4.36Å; L76-M105 HydrophobicContact CD1-CE 4.23Å; L76-M105 HydrophobicContact CD1-SD 3.84Å; F78-M105 HydrophobicContact CE2-CB 4.37Å; F78-M105 HydrophobicContact CZ-CB 4.11Å; L102-M105 HydrophobicContact CD2-CE 3.65Å; L102-M105 WeakPolarHBondContact O-CB 3.39Å; L102-M105 PolarHBondContact O-N 3.17Å; D103-M105 VanDerWaalsContact C-N 3.31Å; D103-M105 PolarHBondContact O-N 3.09Å; M105-M108 PolarHBondContact O-N 3.41Å; M105-E109 PolarHBondContact O-N 3.23Å
106G93.5Very high94.7Very high0 Ų022.8 Ų22.80%011%0.107CC..Hα-helixtrans-64.8-46.9177.600000112.5L102 D103 M108 E109 V110 Y204L102-G106 PolarHBondContact O-N 3.04Å; D103-G106 PolarHBondContact O-N 3.42Å; G106-M108 VanDerWaalsContact C-N 3.33Å; G106-M108 PolarHBondContact O-N 3.34Å; G106-E109 WeakPolarHBondContact O-CB 3.39Å; G106-E109 PolarHBondContact O-N 3.34Å; G106-E109 VanDerWaalsContact O-N 3.14Å; G106-V110 PolarHBondContact O-N 2.8Å; G106-Y204 PolarHBondContact O-OH 2.97Å
107L95.1Very high94.6Very high4 Ų423.6 Ų23.62%0.02111%0.11CC..Hα-helixtrans-52.8-51.5173173.672.5000110.9D103 M104 E109 V110 L111 Q117 W168 Y204D103-L107 VanDerWaalsContact O-CB 3.27Å; D103-L107 WeakPolarHBondContact O-CB 3.35Å; D103-L107 PolarHBondContact O-N 3.41Å; M104-L107 HydrophobicContact SD-CD2 4.2Å; L107-E109 PolarHBondContact O-N 3.19Å; L107-V110 PolarHBondContact O-N 3.41Å; L107-L111 HydrophobicContact CD1-CD1 4.19Å; L107-L111 HydrophobicContact CG-CD1 4.38Å; L107-L111 WeakPolarHBondContact O-CA 3.27Å; L107-L111 WeakPolarHBondContact O-CB 3.5Å; L107-L111 PolarHBondContact O-N 3.28Å; L107-Q117 HydrophobicContact CD2-CG 3.69Å; L107-W168 HydrophobicContact CD1-CB 4.39Å; L107-W168 HydrophobicContact CD1-CD2 3.15Å; L107-W168 HydrophobicContact CD1-CE3 3.45Å; L107-W168 VanDerWaalsContact CD1-CE3 3.45Å; L107-W168 HydrophobicContact CD1-CG 3.57Å; L107-W168 HydrophobicContact CD1-CH2 4.03Å; L107-W168 HydrophobicContact CD1-CZ2 3.78Å; L107-W168 HydrophobicContact CD1-CZ3 3.87Å; L107-Y204 WeakPolarHBondContact CA-OH 3.15Å; L107-Y204 PolarHBondContact N-OH 3.14Å
108M94.4Very high94.3Very high4 Ų424.2 Ų24.22%0.0211%0.114CC..Hα-helixtrans-67.2-25.8-177.5-67.9-64.7135.900112.8I63 S64 V67 R68 M104 M105 G106 L111I63-M108 HydrophobicContact CG2-SD 4.25Å; S64-M108 PolarHBondContact OG-O 3.14Å; V67-M108 HydrophobicContact CB-CB 4.05Å; V67-M108 HydrophobicContact CB-CG 3.8Å; V67-M108 HydrophobicContact CG1-CB 3.93Å; V67-M108 HydrophobicContact CG1-CG 3.73Å; V67-M108 HydrophobicContact CG2-CG 4.22Å; R68-M108 WeakPolarHBondContact CD-O 3.39Å; R68-M108 HydrophobicContact CG-CB 4.34Å; M104-M108 WeakPolarHBondContact O-CB 3.33Å; M104-M108 WeakPolarHBondContact O-CG 2.97Å; M104-M108 PolarHBondContact O-N 3.27Å; M104-M108 HydrophobicContact SD-CE 3.74Å; M104-M108 HydrophobicContact SD-CG 4.19Å; M105-M108 PolarHBondContact O-N 3.41Å; G106-M108 VanDerWaalsContact C-N 3.33Å; G106-M108 PolarHBondContact O-N 3.34Å; M108-L111 HydrophobicContact CE-CD2 4.18Å; M108-L111 HydrophobicContact SD-CD2 3.91Å
109E93.1Very high94Very high26 Ų2623.1 Ų23.112%0.12111%0.11CC..Hα-helixtrans-69.9-37.5175.7-172.564.6-164.300112.9R68 K71 F78 M105 G106 L107R68-E109 IonicContact CZ-OE1 3.89Å; R68-E109 IonicContact CZ-OE2 3.21Å; R68-E109 IonicContact NE-OE1 2.8Å; R68-E109 IonicContact NE-OE2 2.69Å; R68-E109 PolarHBondContact NE-OE2 2.89Å; R68-E109 IonicContact NH2-OE1 2.89Å; R68-E109 PolarHBondContact NH2-OE1 2.82Å; R68-E109 IonicContact NH2-OE2 3.74Å; R68-E109 PolarHBondContact NH2-OE2 2.98Å; K71-E109 IonicContact NZ-OE1 3.66Å; K71-E109 PolarHBondContact NZ-OE1 3.29Å; K71-E109 IonicContact NZ-OE2 3.63Å; K71-E109 PolarHBondContact NZ-OE2 2.79Å; F78-E109 HydrophobicContact CB-CG 3.79Å; F78-E109 HydrophobicContact CD2-CB 4.35Å; F78-E109 HydrophobicContact CD2-CG 4.16Å; F78-E109 HydrophobicContact CG-CB 4.27Å; F78-E109 HydrophobicContact CG-CG 3.97Å; M105-E109 PolarHBondContact O-N 3.23Å; G106-E109 WeakPolarHBondContact O-CB 3.39Å; G106-E109 PolarHBondContact O-N 3.34Å; G106-E109 VanDerWaalsContact O-N 3.14Å; L107-E109 PolarHBondContact O-N 3.19Å
110V94.5Very high93.8Very high1 Ų126.4 Ų26.41%0.00612%0.124CC..Hα-helixtrans-107.87.3-177.1-55.90000113.4V80 L86 G106 L107 P112 W168 Y204 V225V80-V110 HydrophobicContact CB-CG1 4.28Å; V80-V110 HydrophobicContact CG1-CG1 3.68Å; V80-V110 HydrophobicContact CG2-CG1 3.53Å; L86-V110 HydrophobicContact CD1-CB 4.16Å; L86-V110 HydrophobicContact CD1-CG2 4.43Å; L86-V110 WeakPolarHBondContact CD1-O 3.5Å; G106-V110 PolarHBondContact O-N 2.8Å; L107-V110 PolarHBondContact O-N 3.41Å; V110-P112 VanDerWaalsContact O-CD 3.24Å; V110-P112 WeakPolarHBondContact O-CD 3.24Å; V110-P112 VanDerWaalsContact O-N 3.11Å; V110-W168 HydrophobicContact CG2-CH2 3.61Å; V110-W168 HydrophobicContact CG2-CZ3 4.09Å; V110-Y204 WeakPolarHBondContact CG2-OH 3.27Å; V110-V225 HydrophobicContact CG1-CG1 4.18Å
111L95Very high93.6Very high29 Ų2932 Ų3215%0.15214%0.144CC..  trans-58.6115.9-173.4-171.269.1000110.3M60 L107 M108 C115M60-L111 HydrophobicContact CB-CD2 3.91Å; M60-L111 HydrophobicContact CG-CD2 4.48Å; M60-L111 HydrophobicContact SD-CD2 4.35Å; L107-L111 HydrophobicContact CD1-CD1 4.19Å; L107-L111 HydrophobicContact CG-CD1 4.38Å; L107-L111 WeakPolarHBondContact O-CA 3.27Å; L107-L111 WeakPolarHBondContact O-CB 3.5Å; L107-L111 PolarHBondContact O-N 3.28Å; M108-L111 HydrophobicContact CE-CD2 4.18Å; M108-L111 HydrophobicContact SD-CD2 3.91Å; L111-C115 HydrophobicContact CD1-CB 3.77Å; L111-C115 HydrophobicContact CG-CB 4.31Å
112P94.5Very high93.5Very high4 Ų433.8 Ų33.83%0.02615%0.151CC..  trans-75.2163.6176.627.3-28000111L86 I94 V110 C115 K166L86-P112 HydrophobicContact CB-CB 4.17Å; L86-P112 HydrophobicContact CB-CG 4.37Å; I94-P112 HydrophobicContact CD1-CG 3.61Å; V110-P112 VanDerWaalsContact O-CD 3.24Å; V110-P112 WeakPolarHBondContact O-CD 3.24Å; V110-P112 VanDerWaalsContact O-N 3.11Å; P112-C115 HydrophobicContact CG-CB 3.94Å; P112-C115 VanDerWaalsContact O-CB 3.26Å; P112-C115 WeakPolarHBondContact O-CB 3.27Å; P112-K166 HydrophobicContact CB-CD 3.74Å; P112-K166 HydrophobicContact CG-CD 3.58Å
113E92.7Very high93.4Very high150 Ų15036.6 Ų36.670%0.70117%0.166SC*.THydrogen-bonded Turntrans-58.9146.6175.1-64.4-174.6175.600111.5C115E113-C115 VanDerWaalsContact C-N 3.27Å; E113-C115 PolarHBondContact O-N 2.97Å
114R94.1Very high93.4Very high95 Ų9539.5 Ų39.536%0.35818%0.181SC..THydrogen-bonded Turntrans52.841.2178.9-57.8-175.467.980.24.1113.6V57 E58 E163 L165 K166V57-R114 HydrophobicContact CG1-CB 4.43Å; V57-R114 HydrophobicContact CG1-CG 4.38Å; V57-R114 HydrophobicContact CG2-CB 4.5Å; E58-R114 IonicContact OE1-CZ 3.34Å; E58-R114 IonicContact OE1-NH1 3.55Å; E58-R114 PolarHBondContact OE1-NH1 3.15Å; R114-E163 PolarHBondContact NE-O 3.06Å; R114-E163 PolarHBondContact NH2-O 3.04Å; R114-L165 HydrophobicContact CB-CD2 4.34Å; R114-L165 WeakPolarHBondContact O-CA 3.46Å; R114-K166 PolarHBondContact O-N 3.39Å
115C95.8Very high93.5Very high1 Ų143 Ų431%0.00720%0.195CC..EExtended strand (participates in β ladder)trans-104.1126.2178.8-173.50000112.6L111 P112 E113 Q117 K166L111-C115 HydrophobicContact CD1-CB 3.77Å; L111-C115 HydrophobicContact CG-CB 4.31Å; P112-C115 HydrophobicContact CG-CB 3.94Å; P112-C115 VanDerWaalsContact O-CB 3.26Å; P112-C115 WeakPolarHBondContact O-CB 3.27Å; E113-C115 VanDerWaalsContact C-N 3.27Å; E113-C115 PolarHBondContact O-N 2.97Å; C115-Q117 PolarHBondContact O-NE2 3.33Å; C115-K166 CarbonylContact C-O 3.59Å; C115-K166 VanDerWaalsContact CA-O 3.28Å; C115-K166 WeakPolarHBondContact CA-O 3.19Å; C115-K166 HydrophobicContact CB-CB 4.03Å
116V94.9Very high93.6Very high2 Ų247.3 Ų47.31%0.01222%0.217CC..EExtended strand (participates in β ladder)trans-109.6149.3174.1-640000110.4V57 F139 L165 K166 V167 W168V57-V116 HydrophobicContact CB-CG1 4.25Å; V57-V116 HydrophobicContact CG2-CG1 3.63Å; V116-F139 HydrophobicContact CB-CD2 4.05Å; V116-F139 HydrophobicContact CB-CE2 4.03Å; V116-F139 HydrophobicContact CG1-CE2 4.2Å; V116-F139 HydrophobicContact CG2-CD2 3.85Å; V116-F139 HydrophobicContact CG2-CE2 3.72Å; V116-L165 HydrophobicContact CG2-CD1 4.45Å; V116-K166 PolarHBondContact N-O 3.42Å; V116-V167 HydrophobicContact CG2-CG2 3.96Å; V116-V167 CarbonylContact O-C 3.47Å; V116-V167 WeakPolarHBondContact O-CA 3.38Å; V116-W168 PolarHBondContact O-N 3.24Å
117Q95.1Very high93.7Very high17 Ų1749.3 Ų49.38%0.07924%0.237CC..EExtended strand (participates in β ladder)trans-105.2160177.3-58.873.649.800111.4L107 C115 V138 F139 W168L107-Q117 HydrophobicContact CD2-CG 3.69Å; C115-Q117 PolarHBondContact O-NE2 3.33Å; Q117-V138 HydrophobicContact CB-CG1 4.49Å; Q117-V138 WeakPolarHBondContact O-CG1 3.47Å; Q117-F139 PolarHBondContact O-N 3.36Å; Q117-W168 HydrophobicContact CG-CB 4.16Å
118I92.3Very high93.8Very high13 Ų1350.3 Ų50.37%0.06724%0.244CC..EExtended strand (participates in β ladder)trans-102.7119.8166.8-56.5-172.5000110.6F139 I141 M153 L156 V167 W168 I169I118-F139 CarbonylContact C-O 3.53Å; I118-F139 WeakPolarHBondContact CA-O 3.39Å; I118-F139 HydrophobicContact CG1-CB 4.48Å; I118-I141 HydrophobicContact CG2-CB 4.35Å; I118-I141 HydrophobicContact CG2-CD1 3.53Å; I118-I141 HydrophobicContact CG2-CG1 3.59Å; I118-I141 HydrophobicContact CG2-CG2 3.85Å; I118-M153 HydrophobicContact CD1-CE 3.96Å; I118-M153 HydrophobicContact CD1-SD 3.49Å; I118-M153 WeakPolarHBondContact CD1-SD 3.3Å; I118-L156 HydrophobicContact CD1-CD2 3.45Å; I118-L156 VanDerWaalsContact CD1-CD2 3.45Å; I118-L156 HydrophobicContact CG1-CD2 3.89Å; I118-V167 HydrophobicContact CD1-CG1 3.93Å; I118-V167 HydrophobicContact CG1-CG1 3.91Å; I118-W168 PolarHBondContact N-O 2.84Å; I118-I169 HydrophobicContact CB-CG1 4.5Å; I118-I169 HydrophobicContact CD1-CD1 3.51Å; I118-I169 HydrophobicContact CD1-CG1 3.68Å; I118-I169 HydrophobicContact CG1-CD1 4.39Å; I118-I169 HydrophobicContact CG1-CG1 4.03Å
119A90.8Very high93.9Very high7 Ų751.8 Ų51.86%0.05825%0.254CS..EExtended strand (participates in β ladder)trans-115.6158.5-177.500000112.5L123 M133 V138 F139 F140 I141A119-L123 HydrophobicContact CB-CD1 4.09Å; A119-M133 HydrophobicContact CB-CE 3.4Å; A119-M133 VanDerWaalsContact CB-CE 3.4Å; A119-V138 HydrophobicContact CB-CG1 3.45Å; A119-V138 VanDerWaalsContact CB-CG1 3.45Å; A119-F139 PolarHBondContact N-O 2.79Å; A119-F140 HydrophobicContact CB-CD1 3.93Å; A119-F140 HydrophobicContact CB-CE1 4.03Å; A119-F140 WeakPolarHBondContact O-CA 3.49Å; A119-I141 WeakPolarHBondContact O-CG1 3.36Å; A119-I141 PolarHBondContact O-N 3.01Å
120K90.4Very high94.1Very high82 Ų8250.6 Ų50.636%0.35725%0.248SC..EExtended strand (participates in β ladder)trans-69.3135170.8178.6176.3-162.7-133.40109.4E122 L123K120-E122 WeakPolarHBondContact CE-OE1 3.44Å; K120-E122 WeakPolarHBondContact CE-OE2 3.4Å; K120-E122 HydrophobicContact CG-CB 4.44Å; K120-E122 WeakPolarHBondContact CG-OE2 3.16Å; K120-E122 IonicContact NZ-OE1 2.87Å; K120-E122 PolarHBondContact NZ-OE1 3.38Å; K120-E122 IonicContact NZ-OE2 3.72Å; K120-E122 PolarHBondContact O-N 2.85Å; K120-E122 VanDerWaalsContact O-N 3.1Å; K120-L123 HydrophobicContact CB-CD1 4.44Å; K120-L123 HydrophobicContact CB-CG 4.37Å; K120-L123 WeakPolarHBondContact O-CB 3.18Å; K120-L123 PolarHBondContact O-N 3.34Å
121R91.2Very high94.2Very high126 Ų12654.3 Ų54.348%0.47527%0.267SS..G310 helixtrans-49.5-39.3-176.9-177.5179.9175.6-1641.1113.8L123 L124 F125 I141R121-L123 PolarHBondContact O-N 3.37Å; R121-L124 WeakPolarHBondContact O-CB 3.26Å; R121-L124 PolarHBondContact O-N 3.28Å; R121-F125 HydrophobicContact CG-CE2 4.49Å; R121-I141 PolarHBondContact N-O 2.72Å
122E92.1Very high94.3Very high73 Ų7353.2 Ų53.234%0.34126%0.262SS..G310 helixtrans-62.1-24.3-177.8-6790.7132.700113.1K120 L124 F125K120-E122 WeakPolarHBondContact CE-OE1 3.44Å; K120-E122 WeakPolarHBondContact CE-OE2 3.4Å; K120-E122 HydrophobicContact CG-CB 4.44Å; K120-E122 WeakPolarHBondContact CG-OE2 3.16Å; K120-E122 IonicContact NZ-OE1 2.87Å; K120-E122 PolarHBondContact NZ-OE1 3.38Å; K120-E122 IonicContact NZ-OE2 3.72Å; K120-E122 PolarHBondContact O-N 2.85Å; K120-E122 VanDerWaalsContact O-N 3.1Å; E122-L124 PolarHBondContact O-N 3.14Å; E122-F125 PolarHBondContact O-N 3.43Å; E122-F125 VanDerWaalsContact O-N 3.16Å
123L92.2Very high94.4Very high63 Ų6354.1 Ų54.133%0.3327%0.266SS..G310 helixtrans-65.8-22.8176-62.1179.4000112.6A119 K120 R121 F125 L126 G130 M133 F140A119-L123 HydrophobicContact CB-CD1 4.09Å; K120-L123 HydrophobicContact CB-CD1 4.44Å; K120-L123 HydrophobicContact CB-CG 4.37Å; K120-L123 WeakPolarHBondContact O-CB 3.18Å; K120-L123 PolarHBondContact O-N 3.34Å; R121-L123 PolarHBondContact O-N 3.37Å; L123-F125 PolarHBondContact O-N 3.26Å; L123-L126 HydrophobicContact CD2-CD1 3.47Å; L123-L126 VanDerWaalsContact CD2-CD1 3.47Å; L123-L126 HydrophobicContact CD2-CG 4.48Å; L123-L126 PolarHBondContact O-N 3.08Å; L123-G130 WeakPolarHBondContact O-CA 3.3Å; L123-M133 HydrophobicContact CB-CE 4.06Å; L123-M133 HydrophobicContact CB-SD 4.21Å; L123-M133 HydrophobicContact CD1-CE 3.99Å; L123-F140 HydrophobicContact CB-CE1 4.19Å
124L94.3Very high94.6Very high61 Ų6152 Ų5232%0.31925%0.252SS..G310 helixtrans-59.8-28.7174.6-176.963.1000112.1R121 E122 G130 Y134 F140R121-L124 WeakPolarHBondContact O-CB 3.26Å; R121-L124 PolarHBondContact O-N 3.28Å; E122-L124 PolarHBondContact O-N 3.14Å; L124-G130 WeakPolarHBondContact O-CA 3.32Å; L124-Y134 HydrophobicContact CD1-CD2 4.26Å; L124-Y134 HydrophobicContact CD1-CG 4.43Å; L124-F140 HydrophobicContact CB-CD1 3.97Å; L124-F140 HydrophobicContact CB-CE1 3.86Å; L124-F140 HydrophobicContact CB-CG 4.35Å; L124-F140 HydrophobicContact CB-CZ 4.15Å; L124-F140 HydrophobicContact CD1-CD2 4.24Å; L124-F140 HydrophobicContact CD1-CE1 4.43Å; L124-F140 HydrophobicContact CD1-CE2 3.77Å; L124-F140 HydrophobicContact CD1-CZ 3.85Å
125F95.1Very high94.8Very high144 Ų14447.8 Ų47.863%0.63224%0.237SC*.G310 helixtrans-93.96.9-174.9-53.8-69.6000113.6R121 E122 L123 G127R121-F125 HydrophobicContact CG-CE2 4.49Å; E122-F125 PolarHBondContact O-N 3.43Å; E122-F125 VanDerWaalsContact O-N 3.16Å; L123-F125 PolarHBondContact O-N 3.26Å; F125-G127 PolarHBondContact O-N 3.25Å
126L94.9Very high94.8Very high92 Ų9247.7 Ų47.748%0.48224%0.236SC..SBendtrans-82.345.8178.1-65.5-178.4000112.9L123 V129 G130L123-L126 HydrophobicContact CD2-CD1 3.47Å; L123-L126 VanDerWaalsContact CD2-CD1 3.47Å; L123-L126 HydrophobicContact CD2-CG 4.48Å; L123-L126 PolarHBondContact O-N 3.08Å; L126-V129 HydrophobicContact CB-CB 4.23Å; L126-V129 WeakPolarHBondContact O-CB 3.41Å; L126-V129 PolarHBondContact O-N 2.84Å; L126-V129 VanDerWaalsContact O-N 3.1Å; L126-G130 PolarHBondContact O-N 3.46Å
127G96.1Very high94.8Very high41 Ų4147.7 Ų47.742%0.42324%0.237SC..Hα-helixtrans52-128.4176.600000113F125 V129 G130 L131F125-G127 PolarHBondContact O-N 3.25Å; G127-V129 VanDerWaalsContact C-N 3.26Å; G127-V129 PolarHBondContact O-N 3.48Å; G127-G130 PolarHBondContact O-N 3.21Å; G127-G130 VanDerWaalsContact O-N 3.1Å; G127-L131 PolarHBondContact O-N 3.27Å
128P96.6Very high94.8Very high26 Ų2647 Ų4717%0.16923%0.233CC..Hα-helixtrans-56-34.7178.5-26.535.8000114.6F38 S41 A42 L131 I132F38-P128 HydrophobicContact CD1-CG 4.21Å; F38-P128 HydrophobicContact CD2-CG 4.41Å; F38-P128 HydrophobicContact CE1-CG 3.73Å; F38-P128 HydrophobicContact CE2-CG 3.98Å; F38-P128 HydrophobicContact CZ-CG 3.61Å; S41-P128 WeakPolarHBondContact CB-O 3.31Å; A42-P128 HydrophobicContact CB-CB 3.97Å; A42-P128 HydrophobicContact CB-CG 4.15Å; P128-L131 PolarHBondContact O-N 2.98Å; P128-I132 WeakPolarHBondContact O-CG2 3.25Å; P128-I132 PolarHBondContact O-N 3.18Å
129V96.4Very high94.8Very high35 Ų3547.5 Ų47.521%0.21224%0.235CC..Hα-helixtrans-66.1-43.1177.8179.60000110.2L126 G127 I132 M133L126-V129 HydrophobicContact CB-CB 4.23Å; L126-V129 WeakPolarHBondContact O-CB 3.41Å; L126-V129 PolarHBondContact O-N 2.84Å; L126-V129 VanDerWaalsContact O-N 3.1Å; G127-V129 VanDerWaalsContact C-N 3.26Å; G127-V129 PolarHBondContact O-N 3.48Å; V129-I132 VanDerWaalsContact O-CG2 3.29Å; V129-I132 WeakPolarHBondContact O-CG2 3.22Å; V129-M133 HydrophobicContact CG1-SD 4.15Å; V129-M133 WeakPolarHBondContact O-CG 3.43Å; V129-M133 PolarHBondContact O-N 3.06Å
130G96.7Very high94.8Very high0 Ų048.9 Ų48.90%024%0.24CC..Hα-helixtrans-64.5-41.3174.900000112.7L123 L124 L126 G127 M133 Y134L123-G130 WeakPolarHBondContact O-CA 3.3Å; L124-G130 WeakPolarHBondContact O-CA 3.32Å; L126-G130 PolarHBondContact O-N 3.46Å; G127-G130 PolarHBondContact O-N 3.21Å; G127-G130 VanDerWaalsContact O-N 3.1Å; G130-M133 PolarHBondContact O-N 3.21Å; G130-Y134 PolarHBondContact O-N 2.73Å
131L97.3Very high94.6Very high79 Ų7946 Ų4641%0.41423%0.228SC..Hα-helixtrans-61.6-49.5177.4178.660.7000112G127 P128 M133 Y134 L135G127-L131 PolarHBondContact O-N 3.27Å; P128-L131 PolarHBondContact O-N 2.98Å; L131-M133 VanDerWaalsContact C-N 3.31Å; L131-M133 PolarHBondContact O-N 3.28Å; L131-Y134 WeakPolarHBondContact O-CB 3.31Å; L131-Y134 PolarHBondContact O-N 3.32Å; L131-Y134 VanDerWaalsContact O-N 3.14Å; L131-L135 HydrophobicContact CD1-CD1 4.11Å; L131-L135 HydrophobicContact CD1-CG 4.12Å; L131-L135 HydrophobicContact CG-CD1 3.98Å; L131-L135 HydrophobicContact CG-CG 4.39Å; L131-L135 WeakPolarHBondContact O-CG 3.36Å; L131-L135 PolarHBondContact O-N 2.94Å
132I96.8Very high94.3Very high7 Ų741.2 Ų41.24%0.03621%0.212CC..Hα-helixtrans-65.9-36.2-178.4-167.655.2000111.7S41 A44 S45 C48 I63 P128 V129 L135 G136S41-I132 WeakPolarHBondContact OG-CG2 3.26Å; A44-I132 HydrophobicContact CB-CD1 3.85Å; A44-I132 HydrophobicContact CB-CG1 4.11Å; S45-I132 WeakPolarHBondContact OG-CB 3.2Å; C48-I132 HydrophobicContact CB-CD1 4.47Å; I63-I132 HydrophobicContact CD1-CD1 3.73Å; I63-I132 HydrophobicContact CD1-CG1 3.64Å; I63-I132 WeakPolarHBondContact CD1-O 3.49Å; I63-I132 HydrophobicContact CG1-CD1 3.57Å; I63-I132 HydrophobicContact CG1-CG1 3.53Å; I63-I132 HydrophobicContact CG2-CG1 4.49Å; P128-I132 WeakPolarHBondContact O-CG2 3.25Å; P128-I132 PolarHBondContact O-N 3.18Å; V129-I132 VanDerWaalsContact O-CG2 3.29Å; V129-I132 WeakPolarHBondContact O-CG2 3.22Å; I132-L135 PolarHBondContact O-N 3.07Å; I132-G136 PolarHBondContact O-N 3Å
133M96.8Very high93.4Very high22 Ų2242.4 Ų42.411%0.10821%0.213CC..Hα-helixtrans-62.2-44.4172.8-71174.769.500111A119 L123 V129 G130 L131 G136 G137 V138 F140A119-M133 HydrophobicContact CB-CE 3.4Å; A119-M133 VanDerWaalsContact CB-CE 3.4Å; L123-M133 HydrophobicContact CB-CE 4.06Å; L123-M133 HydrophobicContact CB-SD 4.21Å; L123-M133 HydrophobicContact CD1-CE 3.99Å; V129-M133 HydrophobicContact CG1-SD 4.15Å; V129-M133 WeakPolarHBondContact O-CG 3.43Å; V129-M133 PolarHBondContact O-N 3.06Å; G130-M133 PolarHBondContact O-N 3.21Å; L131-M133 VanDerWaalsContact C-N 3.31Å; L131-M133 PolarHBondContact O-N 3.28Å; M133-G136 PolarHBondContact O-N 3.22Å; M133-G137 PolarHBondContact O-N 2.65Å; M133-V138 HydrophobicContact CB-CB 4.15Å; M133-V138 HydrophobicContact CB-CG2 3.95Å; M133-V138 HydrophobicContact CE-CG1 3.95Å; M133-V138 HydrophobicContact CG-CG2 4.42Å; M133-V138 WeakPolarHBondContact O-CB 3.37Å; M133-V138 WeakPolarHBondContact O-CG2 3.39Å; M133-V138 PolarHBondContact O-N 2.84Å; M133-F140 HydrophobicContact CB-CE1 4.4Å; M133-F140 HydrophobicContact CB-CZ 3.69Å; M133-F140 HydrophobicContact CE-CE1 3.99Å; M133-F140 HydrophobicContact CE-CZ 4.34Å
134Y97.2Very high92.6Very high106 Ų10647.1 Ų47.142%0.41623%0.234SC..Hα-helixtrans-60.8-48.1174.9173.6-92.4000112.1R55 L124 G130 L131 G136 G137R55-Y134 HydrophobicContact CB-CD1 4.46Å; R55-Y134 HydrophobicContact CB-CE1 3.97Å; R55-Y134 VanDerWaalsContact CD-O 3.31Å; R55-Y134 WeakPolarHBondContact CD-O 3.42Å; R55-Y134 VanDerWaalsContact CG-O 3.24Å; R55-Y134 WeakPolarHBondContact CG-O 3.25Å; R55-Y134 PolarHBondContact NH1-O 3.36Å; L124-Y134 HydrophobicContact CD1-CD2 4.26Å; L124-Y134 HydrophobicContact CD1-CG 4.43Å; G130-Y134 PolarHBondContact O-N 2.73Å; L131-Y134 WeakPolarHBondContact O-CB 3.31Å; L131-Y134 PolarHBondContact O-N 3.32Å; L131-Y134 VanDerWaalsContact O-N 3.14Å; Y134-G136 VanDerWaalsContact C-N 3.29Å; Y134-G136 PolarHBondContact O-N 3.27Å; Y134-G137 PolarHBondContact O-N 3.43Å
135L97.6Very high91.6Very high6 Ų652 Ų523%0.03125%0.248CC..Hα-helixtrans-62.9-35.6179.2-70.2174.2000112.1C48 L49 R55 T56 N59 L131 I132 G137C48-L135 HydrophobicContact CB-CD1 4.21Å; L49-L135 HydrophobicContact CD2-CD1 4.32Å; L49-L135 HydrophobicContact CD2-CD2 3.85Å; L49-L135 HydrophobicContact CG-CD1 4.04Å; L49-L135 HydrophobicContact CG-CD2 4.45Å; R55-L135 WeakPolarHBondContact CA-O 3.3Å; T56-L135 PolarHBondContact N-O 3.08Å; T56-L135 VanDerWaalsContact O-O 3.05Å; N59-L135 PolarHBondContact ND2-O 2.83Å; L131-L135 HydrophobicContact CD1-CD1 4.11Å; L131-L135 HydrophobicContact CD1-CG 4.12Å; L131-L135 HydrophobicContact CG-CD1 3.98Å; L131-L135 HydrophobicContact CG-CG 4.39Å; L131-L135 WeakPolarHBondContact O-CG 3.36Å; L131-L135 PolarHBondContact O-N 2.94Å; I132-L135 PolarHBondContact O-N 3.07Å; L135-G137 PolarHBondContact O-N 3.07Å
136G96.4Very high90.3Very high0 Ų049.7 Ų49.70%025%0.249CC..THydrogen-bonded Turntrans-69.1-6.1174.500000114.9T56 M60 I132 M133 Y134T56-G136 CarbonylContact O-C 3.54Å; M60-G136 VanDerWaalsContact CE-O 3.22Å; M60-G136 WeakPolarHBondContact CE-O 3.25Å; M60-G136 WeakPolarHBondContact CG-O 3.15Å; I132-G136 PolarHBondContact O-N 3Å; M133-G136 PolarHBondContact O-N 3.22Å; Y134-G136 VanDerWaalsContact C-N 3.29Å; Y134-G136 PolarHBondContact O-N 3.27Å
137G94.4Very high88.9Confident2 Ų249.3 Ų49.32%0.02125%0.254CS..THydrogen-bonded Turntrans85.612.9-179.300000114.6R55 M133 Y134 L135 F139R55-G137 VanDerWaalsContact NH2-C 3.27Å; R55-G137 PolarHBondContact NH2-O 3.41Å; M133-G137 PolarHBondContact O-N 2.65Å; Y134-G137 PolarHBondContact O-N 3.43Å; L135-G137 PolarHBondContact O-N 3.07Å; G137-F139 VanDerWaalsContact O-CD2 3.31Å; G137-F139 WeakPolarHBondContact O-CD2 3.42Å; G137-F139 VanDerWaalsContact O-CE2 3.3Å; G137-F139 WeakPolarHBondContact O-CE2 3.34Å; G137-F139 PolarHBondContact O-N 2.8Å
138V94.4Very high87.6Confident2 Ų250.4 Ų50.41%0.01225%0.253CS..  trans-57137.4176.6178.20000110.8R55 M60 Q117 A119 M133 F140R55-V138 PolarHBondContact NH1-O 3Å; R55-V138 PolarHBondContact NH2-O 3Å; M60-V138 HydrophobicContact CE-CG2 3.41Å; M60-V138 VanDerWaalsContact CE-CG2 3.41Å; Q117-V138 HydrophobicContact CB-CG1 4.49Å; Q117-V138 WeakPolarHBondContact O-CG1 3.47Å; A119-V138 HydrophobicContact CB-CG1 3.45Å; A119-V138 VanDerWaalsContact CB-CG1 3.45Å; M133-V138 HydrophobicContact CB-CB 4.15Å; M133-V138 HydrophobicContact CB-CG2 3.95Å; M133-V138 HydrophobicContact CE-CG1 3.95Å; M133-V138 HydrophobicContact CG-CG2 4.42Å; M133-V138 WeakPolarHBondContact O-CB 3.37Å; M133-V138 WeakPolarHBondContact O-CG2 3.39Å; M133-V138 PolarHBondContact O-N 2.84Å; V138-F140 HydrophobicContact CB-CE2 4.23Å; V138-F140 HydrophobicContact CB-CZ 4.34Å; V138-F140 HydrophobicContact CG1-CE1 4.45Å; V138-F140 HydrophobicContact CG1-CE2 4.35Å; V138-F140 HydrophobicContact CG1-CZ 4.25Å; V138-F140 WeakPolarHBondContact O-CD2 3.36Å; V138-F140 WeakPolarHBondContact O-CE2 3.47Å
139F92.1Very high86.4Confident24 Ų2450.1 Ų50.111%0.10525%0.253CS..EExtended strand (participates in β ladder)trans-91.7126.4176.3-72.9-96.2000109.9V116 Q117 I118 A119 G137 L156V116-F139 HydrophobicContact CB-CD2 4.05Å; V116-F139 HydrophobicContact CB-CE2 4.03Å; V116-F139 HydrophobicContact CG1-CE2 4.2Å; V116-F139 HydrophobicContact CG2-CD2 3.85Å; V116-F139 HydrophobicContact CG2-CE2 3.72Å; Q117-F139 PolarHBondContact O-N 3.36Å; I118-F139 CarbonylContact C-O 3.53Å; I118-F139 WeakPolarHBondContact CA-O 3.39Å; I118-F139 HydrophobicContact CG1-CB 4.48Å; A119-F139 PolarHBondContact N-O 2.79Å; G137-F139 VanDerWaalsContact O-CD2 3.31Å; G137-F139 WeakPolarHBondContact O-CD2 3.42Å; G137-F139 VanDerWaalsContact O-CE2 3.3Å; G137-F139 WeakPolarHBondContact O-CE2 3.34Å; G137-F139 PolarHBondContact O-N 2.8Å; F139-L156 HydrophobicContact CB-CD2 4.49Å; F139-L156 HydrophobicContact CD1-CD1 3.94Å; F139-L156 HydrophobicContact CD2-CD1 3.68Å; F139-L156 HydrophobicContact CE1-CD1 3.82Å; F139-L156 HydrophobicContact CE2-CD1 3.58Å; F139-L156 HydrophobicContact CG-CD1 3.88Å; F139-L156 HydrophobicContact CG-CD2 4.33Å; F139-L156 HydrophobicContact CZ-CD1 3.65Å
140F90.9Very high85.3Confident36 Ų3655 Ų5516%0.15828%0.275CS..EExtended strand (participates in β ladder)trans-104.6120.5-176.6-68.5-84.8000110A119 L123 L124 M133 V138A119-F140 HydrophobicContact CB-CD1 3.93Å; A119-F140 HydrophobicContact CB-CE1 4.03Å; A119-F140 WeakPolarHBondContact O-CA 3.49Å; L123-F140 HydrophobicContact CB-CE1 4.19Å; L124-F140 HydrophobicContact CB-CD1 3.97Å; L124-F140 HydrophobicContact CB-CE1 3.86Å; L124-F140 HydrophobicContact CB-CG 4.35Å; L124-F140 HydrophobicContact CB-CZ 4.15Å; L124-F140 HydrophobicContact CD1-CD2 4.24Å; L124-F140 HydrophobicContact CD1-CE1 4.43Å; L124-F140 HydrophobicContact CD1-CE2 3.77Å; L124-F140 HydrophobicContact CD1-CZ 3.85Å; M133-F140 HydrophobicContact CB-CE1 4.4Å; M133-F140 HydrophobicContact CB-CZ 3.69Å; M133-F140 HydrophobicContact CE-CE1 3.99Å; M133-F140 HydrophobicContact CE-CZ 4.34Å; V138-F140 HydrophobicContact CB-CE2 4.23Å; V138-F140 HydrophobicContact CB-CZ 4.34Å; V138-F140 HydrophobicContact CG1-CE1 4.45Å; V138-F140 HydrophobicContact CG1-CE2 4.35Å; V138-F140 HydrophobicContact CG1-CZ 4.25Å; V138-F140 WeakPolarHBondContact O-CD2 3.36Å; V138-F140 WeakPolarHBondContact O-CE2 3.47Å
141I86.9Confident84.3Confident20 Ų2059 Ų5910%0.10330%0.3CS..EExtended strand (participates in β ladder)trans-113.1140.6-179.961.3166.2000111.6I118 A119 R121 R143 V152I118-I141 HydrophobicContact CG2-CB 4.35Å; I118-I141 HydrophobicContact CG2-CD1 3.53Å; I118-I141 HydrophobicContact CG2-CG1 3.59Å; I118-I141 HydrophobicContact CG2-CG2 3.85Å; A119-I141 WeakPolarHBondContact O-CG1 3.36Å; A119-I141 PolarHBondContact O-N 3.01Å; R121-I141 PolarHBondContact N-O 2.72Å; I141-R143 HydrophobicContact CD1-CG 3.71Å; I141-R143 HydrophobicContact CG1-CG 3.92Å; I141-R143 PolarHBondContact O-N 2.82Å; I141-V152 HydrophobicContact CG2-CB 4.42Å; I141-V152 HydrophobicContact CG2-CG1 3.75Å
142N84Confident83.4Confident27 Ų2757.1 Ų57.114%0.14429%0.292CS..  trans-87.898.7166.3-173.8-10.2000109.5Q144 R145N142-Q144 PolarHBondContact O-N 3.49Å; N142-Q144 WeakPolarHBondContact OD1-CB 3.46Å; N142-Q144 PolarHBondContact OD1-N 3.29Å; N142-R145 PolarHBondContact O-N 2.76Å
143R74.3Confident82.7Confident97 Ų9758 Ų5837%0.36630%0.296SS..THydrogen-bonded Turntrans-69.2-13-177.7-61.4-179-176.51761.2113.9I141 G173I141-R143 HydrophobicContact CD1-CG 3.71Å; I141-R143 HydrophobicContact CG1-CG 3.92Å; I141-R143 PolarHBondContact O-N 2.82Å; R143-G173 PolarHBondContact NH1-O 3.28Å
144Q74.3Confident82.1Confident163 Ų16358.9 Ų58.976%0.76231%0.307SS*.THydrogen-bonded Turntrans-85.2-15.8178.2-63.3-178.4-500112.8N142N142-Q144 PolarHBondContact O-N 3.49Å; N142-Q144 WeakPolarHBondContact OD1-CB 3.46Å; N142-Q144 PolarHBondContact OD1-N 3.29Å
145R75.1Confident81.6Confident164 Ų16458.2 Ų58.262%0.61931%0.31SS*.  trans-117.495.6178.5-67.3-171-178.7-175.7-0.8109.8N142 S147 T148 A149N142-R145 PolarHBondContact O-N 2.76Å; R145-S147 PolarHBondContact O-N 3.07Å; R145-T148 PolarHBondContact O-N 3.14Å; R145-A149 PolarHBondContact O-N 3.29Å; R145-A149 VanDerWaalsContact O-N 3.08Å
146S67.3Low81.2Confident94 Ų9458 Ų5866%0.65731%0.309SS*.Hα-helixtrans-58.7-41.7-174.749.80000113.5T148 A149 M150S146-T148 PolarHBondContact O-N 2.8Å; S146-A149 WeakPolarHBondContact O-CB 3.37Å; S146-A149 PolarHBondContact O-N 3.19Å; S146-M150 PolarHBondContact O-N 3.28Å
147S64.8Low81Confident84 Ų8458.4 Ų58.459%0.58731%0.313SS*.Hα-helixtrans-60.7-46.7178.654.80000112.3R145 A149 M150 T151R145-S147 PolarHBondContact O-N 3.07Å; S147-A149 VanDerWaalsContact C-N 3.3Å; S147-A149 PolarHBondContact O-N 2.82Å; S147-M150 PolarHBondContact O-N 3.03Å; S147-T151 PolarHBondContact O-N 3.4Å; S147-T151 PolarHBondContact O-OG1 2.67Å
148T69.8Low80.9Confident64 Ų6464.5 Ų64.539%0.39334%0.341SS..Hα-helixtrans-64.2-36.1175.7-46.80000111.7R145 S146 M150 V152R145-T148 PolarHBondContact O-N 3.14Å; S146-T148 PolarHBondContact O-N 2.8Å; T148-M150 VanDerWaalsContact C-N 3.35Å; T148-V152 VanDerWaalsContact O-CG2 3.25Å; T148-V152 WeakPolarHBondContact O-CG2 3.47Å; T148-V152 PolarHBondContact O-N 2.87Å
149A70.4Confident80.8Confident21 Ų2167.4 Ų67.417%0.17435%0.352CS..Hα-helixtrans-65.6-37.5177.500000112.2R145 S146 S147 M153R145-A149 PolarHBondContact O-N 3.29Å; R145-A149 VanDerWaalsContact O-N 3.08Å; S146-A149 WeakPolarHBondContact O-CB 3.37Å; S146-A149 PolarHBondContact O-N 3.19Å; S147-A149 VanDerWaalsContact C-N 3.3Å; S147-A149 PolarHBondContact O-N 2.82Å; A149-M153 WeakPolarHBondContact O-CG 3.27Å; A149-M153 PolarHBondContact O-N 2.94Å
150M73.3Confident80.9Confident136 Ų13666.2 Ų66.267%0.6735%0.347SS*.Hα-helixtrans-66.2-47.3178.3-71.2-1806600112.4S146 S147 T148 V152 M153 A154S146-M150 PolarHBondContact O-N 3.28Å; S147-M150 PolarHBondContact O-N 3.03Å; T148-M150 VanDerWaalsContact C-N 3.35Å; M150-V152 VanDerWaalsContact C-N 3.33Å; M150-V152 PolarHBondContact O-N 3.14Å; M150-M153 PolarHBondContact O-N 3.41Å; M150-M153 VanDerWaalsContact O-N 3.13Å; M150-A154 PolarHBondContact O-N 2.79Å
151T76.3Confident81Confident85 Ų8568.1 Ų68.152%0.52136%0.361SS..Hα-helixtrans-58.6-45.6176.6-51.20000111.4S147 M153 A154 D155S147-T151 PolarHBondContact O-N 3.4Å; S147-T151 PolarHBondContact O-OG1 2.67Å; T151-M153 VanDerWaalsContact C-N 3.26Å; T151-M153 PolarHBondContact O-N 3.12Å; T151-A154 WeakPolarHBondContact O-CB 3.1Å; T151-A154 PolarHBondContact O-N 3.06Å; T151-A154 VanDerWaalsContact O-N 3.15Å; T151-D155 PolarHBondContact O-N 3.31Å
152V77.8Confident81.4Confident40 Ų4075.2 Ų75.224%0.24239%0.386CS..Hα-helixtrans-62.8-34.1178.2173.90000112.1I141 T148 M150 L156I141-V152 HydrophobicContact CG2-CB 4.42Å; I141-V152 HydrophobicContact CG2-CG1 3.75Å; T148-V152 VanDerWaalsContact O-CG2 3.25Å; T148-V152 WeakPolarHBondContact O-CG2 3.47Å; T148-V152 PolarHBondContact O-N 2.87Å; M150-V152 VanDerWaalsContact C-N 3.33Å; M150-V152 PolarHBondContact O-N 3.14Å; V152-L156 VanDerWaalsContact O-CB 3.23Å; V152-L156 WeakPolarHBondContact O-CB 3.31Å; V152-L156 PolarHBondContact O-N 3.07Å
153M82.8Confident81.9Confident26 Ų2676.5 Ų76.513%0.12839%0.391CS..Hα-helixtrans-72.7-35.2176.6-67.5-70.1-96.800111.9I118 A149 M150 T151 L156 G157 I169 G187 L191I118-M153 HydrophobicContact CD1-CE 3.96Å; I118-M153 HydrophobicContact CD1-SD 3.49Å; I118-M153 WeakPolarHBondContact CD1-SD 3.3Å; A149-M153 WeakPolarHBondContact O-CG 3.27Å; A149-M153 PolarHBondContact O-N 2.94Å; M150-M153 PolarHBondContact O-N 3.41Å; M150-M153 VanDerWaalsContact O-N 3.13Å; T151-M153 VanDerWaalsContact C-N 3.26Å; T151-M153 PolarHBondContact O-N 3.12Å; M153-L156 PolarHBondContact O-N 3.46Å; M153-L156 HydrophobicContact SD-CD2 4.25Å; M153-G157 PolarHBondContact O-N 3.03Å; M153-I169 HydrophobicContact CE-CD1 4.11Å; M153-G187 VanDerWaalsContact CE-O 3.27Å; M153-G187 WeakPolarHBondContact CE-O 3.44Å; M153-L191 HydrophobicContact CE-CB 4.18Å; M153-L191 HydrophobicContact CE-CD2 4.3Å; M153-L191 VanDerWaalsContact O-CD1 3.3Å; M153-L191 WeakPolarHBondContact O-CD1 3.26Å
154A83.4Confident82.8Confident40 Ų4074.5 Ų74.533%0.33139%0.388SS..Hα-helixtrans-63.5-50.1173.400000111.3M150 T151 L156 G157 E158M150-A154 PolarHBondContact O-N 2.79Å; T151-A154 WeakPolarHBondContact O-CB 3.1Å; T151-A154 PolarHBondContact O-N 3.06Å; T151-A154 VanDerWaalsContact O-N 3.15Å; A154-L156 PolarHBondContact O-N 3.3Å; A154-G157 WeakPolarHBondContact O-CA 3.35Å; A154-G157 PolarHBondContact O-N 3.41Å; A154-E158 PolarHBondContact O-N 3.13Å
155D86.9Confident83.8Confident92 Ų9266.7 Ų66.749%0.49235%0.352SS..Hα-helixtrans-57.9-39.5176.1-64.8-16.2000111.6T151 R159T151-D155 PolarHBondContact O-N 3.31Å; D155-R159 VanDerWaalsContact O-CB 3.26Å; D155-R159 WeakPolarHBondContact O-CB 3.32Å; D155-R159 PolarHBondContact O-N 3.01Å
156L90Very high84.9Confident1 Ų159.2 Ų59.21%0.00532%0.324CS..Hα-helixtrans-65.9-38.5175.4178.256.8000111.8I118 F139 V152 M153 A154 R159 M160 V167 L191I118-L156 HydrophobicContact CD1-CD2 3.45Å; I118-L156 VanDerWaalsContact CD1-CD2 3.45Å; I118-L156 HydrophobicContact CG1-CD2 3.89Å; F139-L156 HydrophobicContact CB-CD2 4.49Å; F139-L156 HydrophobicContact CD1-CD1 3.94Å; F139-L156 HydrophobicContact CD2-CD1 3.68Å; F139-L156 HydrophobicContact CE1-CD1 3.82Å; F139-L156 HydrophobicContact CE2-CD1 3.58Å; F139-L156 HydrophobicContact CG-CD1 3.88Å; F139-L156 HydrophobicContact CG-CD2 4.33Å; F139-L156 HydrophobicContact CZ-CD1 3.65Å; V152-L156 VanDerWaalsContact O-CB 3.23Å; V152-L156 WeakPolarHBondContact O-CB 3.31Å; V152-L156 PolarHBondContact O-N 3.07Å; M153-L156 PolarHBondContact O-N 3.46Å; M153-L156 HydrophobicContact SD-CD2 4.25Å; A154-L156 PolarHBondContact O-N 3.3Å; L156-R159 PolarHBondContact O-N 3.3Å; L156-M160 WeakPolarHBondContact O-CB 3.49Å; L156-M160 PolarHBondContact O-N 3.08Å; L156-V167 HydrophobicContact CD1-CG2 3.84Å; L156-V167 HydrophobicContact CD2-CG1 3.8Å; L156-V167 HydrophobicContact CD2-CG2 4.37Å; L156-V167 HydrophobicContact CG-CG1 4.44Å; L156-V167 HydrophobicContact CG-CG2 4.12Å; L156-L191 HydrophobicContact CD2-CD2 4.16Å; L156-L191 HydrophobicContact CG-CD2 4.41Å
157G92.1Very high86.3Confident8 Ų854.8 Ų54.88%0.08229%0.292CS..Hα-helixtrans-60.4-50.8175.800000112.1M153 A154 R159 M160 V161 L191M153-G157 PolarHBondContact O-N 3.03Å; A154-G157 WeakPolarHBondContact O-CA 3.35Å; A154-G157 PolarHBondContact O-N 3.41Å; G157-R159 VanDerWaalsContact C-N 3.34Å; G157-R159 PolarHBondContact O-N 3.28Å; G157-M160 WeakPolarHBondContact O-CB 3.39Å; G157-M160 PolarHBondContact O-N 3.4Å; G157-V161 PolarHBondContact O-N 2.9Å; G157-L191 VanDerWaalsContact CA-CD1 3.46Å
158E91.4Very high87.9Confident130 Ų13050.8 Ų50.861%0.60727%0.265SS*.Hα-helixtrans-59.4-46.4176.5-67.5-175.8-179.200111.7A154 M160 V161 R162A154-E158 PolarHBondContact O-N 3.13Å; E158-M160 VanDerWaalsContact C-N 3.35Å; E158-M160 PolarHBondContact O-N 2.95Å; E158-V161 PolarHBondContact O-N 3.48Å; E158-R162 VanDerWaalsContact O-CB 3.32Å; E158-R162 WeakPolarHBondContact O-CB 3.44Å; E158-R162 PolarHBondContact O-N 3.18Å
159R91.9Very high89.2Confident63 Ų6348.5 Ų48.524%0.23825%0.25CC..Hα-helixtrans-64.8-39.3179.6-179.2163.1172.8178.614.2112.3D155 L156 G157 V161 R162 E163 L165D155-R159 VanDerWaalsContact O-CB 3.26Å; D155-R159 WeakPolarHBondContact O-CB 3.32Å; D155-R159 PolarHBondContact O-N 3.01Å; L156-R159 PolarHBondContact O-N 3.3Å; G157-R159 VanDerWaalsContact C-N 3.34Å; G157-R159 PolarHBondContact O-N 3.28Å; R159-V161 VanDerWaalsContact C-N 3.32Å; R159-V161 PolarHBondContact O-N 2.62Å; R159-R162 PolarHBondContact O-N 3.38Å; R159-E163 WeakPolarHBondContact CD-OE1 3.33Å; R159-E163 HydrophobicContact CG-CG 4.31Å; R159-E163 VanDerWaalsContact CG-OE1 3.31Å; R159-E163 WeakPolarHBondContact CG-OE1 3.23Å; R159-E163 IonicContact CZ-OE1 3.5Å; R159-E163 IonicContact CZ-OE2 3.75Å; R159-E163 VanDerWaalsContact NE-CD 3.25Å; R159-E163 IonicContact NE-OE1 3.71Å; R159-E163 PolarHBondContact NE-OE1 3.03Å; R159-E163 IonicContact NE-OE2 3.07Å; R159-E163 PolarHBondContact NE-OE2 3.04Å; R159-E163 IonicContact NH2-OE1 2.87Å; R159-E163 IonicContact NH2-OE2 3.83Å; R159-E163 PolarHBondContact NH2-OE2 3.06Å; R159-E163 WeakPolarHBondContact O-CB 3.12Å; R159-E163 PolarHBondContact O-N 2.86Å; R159-L165 HydrophobicContact CG-CD1 4.02Å
160M94.3Very high90.4Very high0 Ų049 Ų490%025%0.247CC..Hα-helixtrans-59.5-44.3178.4177.7-17961.700111.3P91 V93 L156 G157 E158 N164 L165 V167 L191 A195 V197P91-M160 HydrophobicContact CB-CG 4.02Å; V93-M160 HydrophobicContact CG2-CE 4.27Å; V93-M160 HydrophobicContact CG2-SD 4.03Å; L156-M160 WeakPolarHBondContact O-CB 3.49Å; L156-M160 PolarHBondContact O-N 3.08Å; G157-M160 WeakPolarHBondContact O-CB 3.39Å; G157-M160 PolarHBondContact O-N 3.4Å; E158-M160 VanDerWaalsContact C-N 3.35Å; E158-M160 PolarHBondContact O-N 2.95Å; M160-N164 CarbonylContact O-C 3.57Å; M160-N164 WeakPolarHBondContact O-CA 3.49Å; M160-N164 PolarHBondContact O-N 3.16Å; M160-N164 VanDerWaalsContact O-N 3.16Å; M160-L165 HydrophobicContact CG-CB 4.45Å; M160-L165 WeakPolarHBondContact CG-O 3.45Å; M160-L165 PolarHBondContact O-N 3.22Å; M160-V167 HydrophobicContact CB-CG2 4.13Å; M160-V167 HydrophobicContact CG-CG2 3.88Å; M160-V167 HydrophobicContact SD-CB 4.12Å; M160-V167 HydrophobicContact SD-CG2 3.56Å; M160-V167 VanDerWaalsContact SD-CG2 3.56Å; M160-L191 HydrophobicContact CE-CD1 4.35Å; M160-L191 HydrophobicContact CE-CG 4.36Å; M160-A195 HydrophobicContact CE-CB 3.27Å; M160-V197 HydrophobicContact CE-CB 4.29Å; M160-V197 HydrophobicContact CE-CG1 3.99Å; M160-V197 HydrophobicContact CE-CG2 3.32Å; M160-V197 HydrophobicContact SD-CG2 4.03Å
161V94.4Very high91.5Very high75 Ų7542.6 Ų42.646%0.45522%0.216SC..Hα-helixtrans-69.7-50.7176.9177.70000110.8G157 E158 R159 E163 N164 A195 V197G157-V161 PolarHBondContact O-N 2.9Å; E158-V161 PolarHBondContact O-N 3.48Å; R159-V161 VanDerWaalsContact C-N 3.32Å; R159-V161 PolarHBondContact O-N 2.62Å; V161-E163 PolarHBondContact O-N 3Å; V161-N164 PolarHBondContact O-N 3.43Å; V161-A195 HydrophobicContact CG2-CB 4.05Å; V161-V197 HydrophobicContact CG2-CG1 4.28Å
162R95.2Very high92.4Very high170 Ų17038.9 Ų38.964%0.64219%0.193SC*.Hα-helixtrans-61.6-41.1-176.2-175.8179.764.8-134.7-3.2113.5E158 R159E158-R162 VanDerWaalsContact O-CB 3.32Å; E158-R162 WeakPolarHBondContact O-CB 3.44Å; E158-R162 PolarHBondContact O-N 3.18Å; R159-R162 PolarHBondContact O-N 3.38Å
163E93.4Very high93Very high53 Ų5337.7 Ų37.725%0.24819%0.188CC..THydrogen-bonded Turntrans-99.46.5-176-67.7171.3-146.800113.1R114 R159 V161 L165R114-E163 PolarHBondContact NE-O 3.06Å; R114-E163 PolarHBondContact NH2-O 3.04Å; R159-E163 WeakPolarHBondContact CD-OE1 3.33Å; R159-E163 HydrophobicContact CG-CG 4.31Å; R159-E163 VanDerWaalsContact CG-OE1 3.31Å; R159-E163 WeakPolarHBondContact CG-OE1 3.23Å; R159-E163 IonicContact CZ-OE1 3.5Å; R159-E163 IonicContact CZ-OE2 3.75Å; R159-E163 VanDerWaalsContact NE-CD 3.25Å; R159-E163 IonicContact NE-OE1 3.71Å; R159-E163 PolarHBondContact NE-OE1 3.03Å; R159-E163 IonicContact NE-OE2 3.07Å; R159-E163 PolarHBondContact NE-OE2 3.04Å; R159-E163 IonicContact NH2-OE1 2.87Å; R159-E163 IonicContact NH2-OE2 3.83Å; R159-E163 PolarHBondContact NH2-OE2 3.06Å; R159-E163 WeakPolarHBondContact O-CB 3.12Å; R159-E163 PolarHBondContact O-N 2.86Å; V161-E163 PolarHBondContact O-N 3Å; E163-L165 HydrophobicContact CB-CD1 4.07Å; E163-L165 HydrophobicContact CB-CD2 4.02Å; E163-L165 HydrophobicContact CB-CG 3.75Å; E163-L165 PolarHBondContact O-N 3.4Å
164N94.7Very high93.4Very high55 Ų5540.1 Ų40.129%0.29421%0.205SC..THydrogen-bonded Turntrans48.954.2-176.7-168.821.6000112.2P91 M160 V161P91-N164 WeakPolarHBondContact CD-OD1 3.31Å; M160-N164 CarbonylContact O-C 3.57Å; M160-N164 WeakPolarHBondContact O-CA 3.49Å; M160-N164 PolarHBondContact O-N 3.16Å; M160-N164 VanDerWaalsContact O-N 3.16Å; V161-N164 PolarHBondContact O-N 3.43Å
165L95.6Very high93.9Very high0 Ų044.5 Ų44.50%021%0.213CC..  trans-93.9154.6-177.7-53.7176.1000111.3V57 P91 R114 V116 R159 M160 E163V57-L165 HydrophobicContact CB-CD2 4.35Å; V57-L165 HydrophobicContact CG1-CD2 4.03Å; V57-L165 HydrophobicContact CG2-CD2 4.3Å; P91-L165 WeakPolarHBondContact CA-O 3.36Å; P91-L165 VanDerWaalsContact CB-O 3.28Å; P91-L165 WeakPolarHBondContact CB-O 3.39Å; R114-L165 HydrophobicContact CB-CD2 4.34Å; R114-L165 WeakPolarHBondContact O-CA 3.46Å; V116-L165 HydrophobicContact CG2-CD1 4.45Å; R159-L165 HydrophobicContact CG-CD1 4.02Å; M160-L165 HydrophobicContact CG-CB 4.45Å; M160-L165 WeakPolarHBondContact CG-O 3.45Å; M160-L165 PolarHBondContact O-N 3.22Å; E163-L165 HydrophobicContact CB-CD1 4.07Å; E163-L165 HydrophobicContact CB-CD2 4.02Å; E163-L165 HydrophobicContact CB-CG 3.75Å; E163-L165 PolarHBondContact O-N 3.4Å
166K97.1Very high94.2Very high7 Ų740.6 Ų40.63%0.0319%0.192CC..EExtended strand (participates in β ladder)trans-100.5135.7162.7-61.3172.3178.1146.20108.4L86 A89 C92 I94 P112 R114 C115 V116L86-K166 WeakPolarHBondContact O-CE 3.12Å; L86-K166 PolarHBondContact O-NZ 2.83Å; A89-K166 WeakPolarHBondContact O-CE 3.32Å; C92-K166 WeakPolarHBondContact O-CA 3.35Å; I94-K166 HydrophobicContact CD1-CB 4.03Å; I94-K166 HydrophobicContact CD1-CD 4.32Å; P112-K166 HydrophobicContact CB-CD 3.74Å; P112-K166 HydrophobicContact CG-CD 3.58Å; R114-K166 PolarHBondContact O-N 3.39Å; C115-K166 CarbonylContact C-O 3.59Å; C115-K166 VanDerWaalsContact CA-O 3.28Å; C115-K166 WeakPolarHBondContact CA-O 3.19Å; C115-K166 HydrophobicContact CB-CB 4.03Å; V116-K166 PolarHBondContact N-O 3.42Å
167V96.9Very high94.1Very high0 Ų043 Ų430%021%0.205CC..EExtended strand (participates in β ladder)trans-113.3115.6179.81800000109.8C92 V93 I94 V116 I118 L156 M160 I169 L191C92-V167 PolarHBondContact O-N 3.35Å; V93-V167 CarbonylContact C-O 3.58Å; V93-V167 WeakPolarHBondContact CA-O 3.18Å; I94-V167 PolarHBondContact N-O 3.46Å; V116-V167 HydrophobicContact CG2-CG2 3.96Å; V116-V167 CarbonylContact O-C 3.47Å; V116-V167 WeakPolarHBondContact O-CA 3.38Å; I118-V167 HydrophobicContact CD1-CG1 3.93Å; I118-V167 HydrophobicContact CG1-CG1 3.91Å; L156-V167 HydrophobicContact CD1-CG2 3.84Å; L156-V167 HydrophobicContact CD2-CG1 3.8Å; L156-V167 HydrophobicContact CD2-CG2 4.37Å; L156-V167 HydrophobicContact CG-CG1 4.44Å; L156-V167 HydrophobicContact CG-CG2 4.12Å; M160-V167 HydrophobicContact CB-CG2 4.13Å; M160-V167 HydrophobicContact CG-CG2 3.88Å; M160-V167 HydrophobicContact SD-CB 4.12Å; M160-V167 HydrophobicContact SD-CG2 3.56Å; M160-V167 VanDerWaalsContact SD-CG2 3.56Å; V167-I169 HydrophobicContact CG1-CD1 3.95Å; V167-I169 HydrophobicContact CG1-CG1 3.87Å; V167-L191 HydrophobicContact CB-CD2 4.36Å; V167-L191 HydrophobicContact CG1-CD2 4Å
168W97.6Very high94Very high1 Ų148.1 Ų48.10%0.00423%0.23CC..EExtended strand (participates in β ladder)trans-93.4125.3178.8-163.8-61.4000111.8I94 S96 L107 V110 V116 Q117 I118 Y170 V202 Y204I94-W168 HydrophobicContact CB-CD2 4.08Å; I94-W168 HydrophobicContact CB-CE3 3.96Å; I94-W168 HydrophobicContact CB-CG 4.38Å; I94-W168 HydrophobicContact CD1-CE3 3.76Å; I94-W168 HydrophobicContact CD1-CZ3 4.14Å; I94-W168 HydrophobicContact CG1-CE3 4.47Å; I94-W168 HydrophobicContact CG2-CD2 3.63Å; I94-W168 HydrophobicContact CG2-CE3 3.5Å; I94-W168 VanDerWaalsContact CG2-CE3 3.5Å; I94-W168 HydrophobicContact CG2-CG 4.33Å; I94-W168 HydrophobicContact CG2-CH2 3.92Å; I94-W168 HydrophobicContact CG2-CZ2 4.03Å; I94-W168 HydrophobicContact CG2-CZ3 3.66Å; I94-W168 WeakPolarHBondContact O-CA 3.35Å; S96-W168 PolarHBondContact OG-NE1 2.91Å; L107-W168 HydrophobicContact CD1-CB 4.39Å; L107-W168 HydrophobicContact CD1-CD2 3.15Å; L107-W168 HydrophobicContact CD1-CE3 3.45Å; L107-W168 VanDerWaalsContact CD1-CE3 3.45Å; L107-W168 HydrophobicContact CD1-CG 3.57Å; L107-W168 HydrophobicContact CD1-CH2 4.03Å; L107-W168 HydrophobicContact CD1-CZ2 3.78Å; L107-W168 HydrophobicContact CD1-CZ3 3.87Å; V110-W168 HydrophobicContact CG2-CH2 3.61Å; V110-W168 HydrophobicContact CG2-CZ3 4.09Å; V116-W168 PolarHBondContact O-N 3.24Å; Q117-W168 HydrophobicContact CG-CB 4.16Å; I118-W168 PolarHBondContact N-O 2.84Å; W168-Y170 AromaticContact NE1-CZ 3.86Å; W168-V202 HydrophobicContact CH2-CB 4.03Å; W168-V202 HydrophobicContact CH2-CG1 3.95Å; W168-V202 HydrophobicContact CH2-CG2 3.9Å; W168-V202 HydrophobicContact CZ2-CB 4.09Å; W168-V202 HydrophobicContact CZ2-CG1 4.18Å; W168-V202 HydrophobicContact CZ2-CG2 4.36Å; W168-Y204 HydrophobicContact CZ2-CE2 4.05Å
169I96.8Very high93.9Very high15 Ų1543.9 Ų43.98%0.07722%0.221CC..EExtended strand (participates in β ladder)trans-132.7138.2-176.3-50.9178.6000110.3V93 I94 V95 S96 I118 M153 V167 P171 A188 L191V93-I169 HydrophobicContact CG1-CD1 4Å; V93-I169 HydrophobicContact CG1-CG1 4.48Å; I94-I169 PolarHBondContact O-N 2.87Å; V95-I169 VanDerWaalsContact CA-O 3.29Å; V95-I169 WeakPolarHBondContact CA-O 3.34Å; S96-I169 PolarHBondContact N-O 3.48Å; I118-I169 HydrophobicContact CB-CG1 4.5Å; I118-I169 HydrophobicContact CD1-CD1 3.51Å; I118-I169 HydrophobicContact CD1-CG1 3.68Å; I118-I169 HydrophobicContact CG1-CD1 4.39Å; I118-I169 HydrophobicContact CG1-CG1 4.03Å; M153-I169 HydrophobicContact CE-CD1 4.11Å; V167-I169 HydrophobicContact CG1-CD1 3.95Å; V167-I169 HydrophobicContact CG1-CG1 3.87Å; I169-P171 VanDerWaalsContact O-CD 3.29Å; I169-P171 WeakPolarHBondContact O-CD 3.4Å; I169-A188 HydrophobicContact CB-CB 4.1Å; I169-A188 HydrophobicContact CD1-CB 3.7Å; I169-A188 HydrophobicContact CG1-CB 4.46Å; I169-A188 HydrophobicContact CG2-CB 3.99Å; I169-L191 HydrophobicContact CD1-CD2 3.85Å
170Y97Very high94.1Very high31 Ų3143.1 Ų43.112%0.12222%0.222CC..  trans-94.799.4167.2-66.5-83.1000109.1S96 N97 H98 D103 W168 E172 G173S96-Y170 VanDerWaalsContact O-CD1 3.27Å; S96-Y170 WeakPolarHBondContact O-CD1 3.32Å; S96-Y170 VanDerWaalsContact OG-CD1 3.24Å; S96-Y170 WeakPolarHBondContact OG-CD1 3.4Å; S96-Y170 WeakPolarHBondContact OG-CE1 3.24Å; N97-Y170 WeakPolarHBondContact O-CD1 3.44Å; N97-Y170 WeakPolarHBondContact O-CE1 3.45Å; H98-Y170 HydrophobicContact CB-CD1 3.49Å; H98-Y170 VanDerWaalsContact CB-CD1 3.49Å; H98-Y170 HydrophobicContact CB-CE1 4.24Å; H98-Y170 HydrophobicContact CB-CG 3.94Å; H98-Y170 AromaticContact CG-CD1 3.73Å; H98-Y170 AromaticContact CG-CG 3.9Å; H98-Y170 AromaticContact ND1-CD1 3.88Å; H98-Y170 AromaticContact ND1-CE1 3.93Å; D103-Y170 HydrophobicContact CB-CE1 4.33Å; W168-Y170 AromaticContact NE1-CZ 3.86Å; Y170-E172 VanDerWaalsContact C-N 3.27Å; Y170-E172 PolarHBondContact O-N 2.84Å; Y170-G173 PolarHBondContact O-N 3.44Å; Y170-G173 VanDerWaalsContact O-N 3.07Å
171P96.4Very high94.2Very high3 Ų343.9 Ų43.92%0.01923%0.226CC..THydrogen-bonded Turntrans-71.1-19.1-169.131-37.2000113.3V95 S96 I169 G173 F184 K185 F189V95-P171 HydrophobicContact CB-CG 4.09Å; V95-P171 HydrophobicContact CG1-CG 4.43Å; S96-P171 VanDerWaalsContact O-CD 3.3Å; S96-P171 WeakPolarHBondContact O-CD 3.45Å; I169-P171 VanDerWaalsContact O-CD 3.29Å; I169-P171 WeakPolarHBondContact O-CD 3.4Å; P171-G173 PolarHBondContact O-N 3.04Å; P171-F184 HydrophobicContact CB-CB 4.01Å; P171-F184 HydrophobicContact CB-CD1 4.05Å; P171-F184 HydrophobicContact CB-CD2 4.16Å; P171-F184 HydrophobicContact CB-CG 3.81Å; P171-F184 HydrophobicContact CG-CB 4.49Å; P171-F184 HydrophobicContact CG-CD1 3.69Å; P171-F184 HydrophobicContact CG-CD2 3.86Å; P171-F184 HydrophobicContact CG-CE1 3.77Å; P171-F184 HydrophobicContact CG-CE2 3.91Å; P171-F184 HydrophobicContact CG-CG 3.74Å; P171-F184 HydrophobicContact CG-CZ 3.87Å; P171-K185 WeakPolarHBondContact O-CB 3.31Å; P171-K185 WeakPolarHBondContact O-CG 3.46Å; P171-K185 PolarHBondContact O-N 3.24Å; P171-F189 HydrophobicContact CB-CE2 4.15Å
172E95.6Very high94.3Very high7 Ų742.6 Ų42.63%0.03322%0.216CC..THydrogen-bonded Turntrans-61.7-27.6171.1-63.7-179.3-97.100111.8N97 H98 Y170 T174 N176 L182 F184N97-E172 WeakPolarHBondContact CA-OE1 3.36Å; N97-E172 WeakPolarHBondContact CB-OE1 3.28Å; H98-E172 PolarHBondContact N-OE1 2.87Å; Y170-E172 VanDerWaalsContact C-N 3.27Å; Y170-E172 PolarHBondContact O-N 2.84Å; E172-T174 PolarHBondContact O-N 2.93Å; E172-T174 VanDerWaalsContact O-N 3.14Å; E172-N176 PolarHBondContact OE2-ND2 3.44Å; E172-N176 VanDerWaalsContact OE2-ND2 3.07Å; E172-L182 HydrophobicContact CB-CB 4.1Å; E172-L182 HydrophobicContact CB-CD1 4.46Å; E172-L182 HydrophobicContact CG-CB 3.95Å; E172-L182 WeakPolarHBondContact OE2-CB 3.14Å; E172-L182 WeakPolarHBondContact OE2-CG 3.35Å; E172-L182 PolarHBondContact OE2-N 2.85Å; E172-F184 HydrophobicContact CG-CD1 3.95Å; E172-F184 HydrophobicContact CG-CE1 3.8Å
173G89.9Confident94.5Very high14 Ų1439.6 Ų39.614%0.14422%0.219CC..SBendtrans72.3-117700000115.4R143 Y170 P171R143-G173 PolarHBondContact NH1-O 3.28Å; Y170-G173 PolarHBondContact O-N 3.44Å; Y170-G173 VanDerWaalsContact O-N 3.07Å; P171-G173 PolarHBondContact O-N 3.04Å
174T91.5Very high94.7Very high78 Ų7838 Ų3848%0.47921%0.211SC..SBendtrans-151.5164.7171.4-173.20000109.4E172 L182E172-T174 PolarHBondContact O-N 2.93Å; E172-T174 VanDerWaalsContact O-N 3.14Å; T174-L182 HydrophobicContact CG2-CD1 3.49Å; T174-L182 VanDerWaalsContact CG2-CD1 3.49Å
175R93.9Very high94.7Very high131 Ų13141.1 Ų41.149%0.49422%0.222SC..  trans-73.5147.3171.9-66.8167-177.9154.63.3110.3H98 S100 I101H98-R175 VanDerWaalsContact CE1-CG 3.44Å; H98-R175 WeakPolarHBondContact CE1-CG 3.29Å; H98-R175 VanDerWaalsContact NE2-CG 3.29Å; H98-R175 WeakPolarHBondContact NE2-CG 3.46Å; H98-R175 CarbonylContact O-C 3.56Å; H98-R175 WeakPolarHBondContact O-CA 3.2Å; S100-R175 PolarHBondContact O-NE 2.98Å; I101-R175 VanDerWaalsContact CG2-NH1 3.27Å
176N92.6Very high94.5Very high10 Ų1045.7 Ų45.75%0.05324%0.242CC..  trans-147.2117.3-176.6170.832.1000111H98 Q99 E172 N178 D180 L182H98-N176 PolarHBondContact O-N 3.36Å; Q99-N176 WeakPolarHBondContact CA-O 3.3Å; E172-N176 PolarHBondContact OE2-ND2 3.44Å; E172-N176 VanDerWaalsContact OE2-ND2 3.07Å; N176-N178 WeakPolarHBondContact OD1-CB 3.24Å; N176-N178 PolarHBondContact OD1-N 2.91Å; N176-N178 VanDerWaalsContact OD1-N 3.14Å; N176-N178 PolarHBondContact OD1-ND2 3.4Å; N176-D180 PolarHBondContact ND2-O 2.96Å; N176-L182 HydrophobicContact CB-CD1 3.85Å; N176-L182 HydrophobicContact CB-CD2 4.47Å; N176-L182 HydrophobicContact CB-CG 3.79Å; N176-L182 WeakPolarHBondContact ND2-CG 3.31Å; N176-L182 PolarHBondContact ND2-N 3.4Å
177D88.6Confident94.3Very high53 Ų5347 Ų4728%0.28326%0.257SS..  trans-114.317.8179.267.1-9.9000112.9G179D177-G179 PolarHBondContact O-N 2.93Å
178N89Confident94.2Very high114 Ų11447.1 Ų47.161%0.6126%0.259SS*.SBendtrans-80.94.9-174.5-64.5-38.2000114.5N176N176-N178 WeakPolarHBondContact OD1-CB 3.24Å; N176-N178 PolarHBondContact OD1-N 2.91Å; N176-N178 VanDerWaalsContact OD1-N 3.14Å; N176-N178 PolarHBondContact OD1-ND2 3.4Å
179G89.9Confident94.2Very high41 Ų4147.1 Ų47.142%0.42326%0.258SS..SBendtrans82.813.7175.800000115.4D177D177-G179 PolarHBondContact O-N 2.93Å
180D95.3Very high94.1Very high48 Ų4849.8 Ų49.826%0.25727%0.268SS..SBendtrans-148.4177.9171.4-157.3-10.4000109.3N176 R253N176-D180 PolarHBondContact ND2-O 2.96Å; D180-R253 WeakPolarHBondContact OD1-CD 3.39Å; D180-R253 WeakPolarHBondContact OD1-CG 3.5Å; D180-R253 IonicContact OD1-CZ 2.75Å; D180-R253 IonicContact OD1-NE 2.67Å; D180-R253 PolarHBondContact OD1-NE 3.33Å; D180-R253 IonicContact OD1-NH2 3.61Å; D180-R253 IonicContact OD2-CZ 3.94Å; D180-R253 IonicContact OD2-NE 3.4Å; D180-R253 PolarHBondContact OD2-NE 3.14Å; D180-R253 IonicContact OD2-NH2 2.85Å; D180-R253 PolarHBondContact OD2-NH2 3.36Å
181L96.8Very high94Very high15 Ų1548.4 Ų48.48%0.07926%0.263CS..PPolyproline II helixtrans-89.1144.9173.9-57.4-170.6000112.1N97 F184 M252 R253 F256N97-L181 HydrophobicContact CB-CD2 3.43Å; N97-L181 VanDerWaalsContact CB-CD2 3.43Å; L181-F184 HydrophobicContact CD1-CE1 4.32Å; L181-F184 HydrophobicContact CD1-CZ 4.07Å; L181-M252 HydrophobicContact CD1-CB 3.75Å; L181-R253 HydrophobicContact CD1-CB 4Å; L181-R253 HydrophobicContact CG-CB 4.35Å; L181-F256 HydrophobicContact CD2-CB 4.41Å; L181-F256 HydrophobicContact CD2-CD1 4.42Å; L181-F256 HydrophobicContact CD2-CD2 4.27Å; L181-F256 HydrophobicContact CD2-CG 4.1Å; L181-F256 HydrophobicContact CG-CB 4.49Å
182L97.4Very high94Very high49 Ų4948.3 Ų48.326%0.25726%0.262SS..PPolyproline II helixtrans-77.5159167.7-62.6-178.7000111.4E172 T174 N176 F184 H249E172-L182 HydrophobicContact CB-CB 4.1Å; E172-L182 HydrophobicContact CB-CD1 4.46Å; E172-L182 HydrophobicContact CG-CB 3.95Å; E172-L182 WeakPolarHBondContact OE2-CB 3.14Å; E172-L182 WeakPolarHBondContact OE2-CG 3.35Å; E172-L182 PolarHBondContact OE2-N 2.85Å; T174-L182 HydrophobicContact CG2-CD1 3.49Å; T174-L182 VanDerWaalsContact CG2-CD1 3.49Å; N176-L182 HydrophobicContact CB-CD1 3.85Å; N176-L182 HydrophobicContact CB-CD2 4.47Å; N176-L182 HydrophobicContact CB-CG 3.79Å; N176-L182 WeakPolarHBondContact ND2-CG 3.31Å; N176-L182 PolarHBondContact ND2-N 3.4Å; L182-F184 WeakPolarHBondContact O-CD1 3.44Å; L182-F184 PolarHBondContact O-N 2.79Å; L182-H249 PolarHBondContact O-NE2 3.48Å
183P97.5Very high94.1Very high107 Ų10748.1 Ų48.170%0.69526%0.262SS*.PPolyproline II helixtrans-52.7136.5168.2-25.834.9000112.1
184F97.9Very high94.3Very high18 Ų1852 Ų528%0.07928%0.276CS..PPolyproline II helixtrans-81.7137.2-179.6-73-2.8000112P171 E172 L181 L182 F189 V245 H249 M252P171-F184 HydrophobicContact CB-CB 4.01Å; P171-F184 HydrophobicContact CB-CD1 4.05Å; P171-F184 HydrophobicContact CB-CD2 4.16Å; P171-F184 HydrophobicContact CB-CG 3.81Å; P171-F184 HydrophobicContact CG-CB 4.49Å; P171-F184 HydrophobicContact CG-CD1 3.69Å; P171-F184 HydrophobicContact CG-CD2 3.86Å; P171-F184 HydrophobicContact CG-CE1 3.77Å; P171-F184 HydrophobicContact CG-CE2 3.91Å; P171-F184 HydrophobicContact CG-CG 3.74Å; P171-F184 HydrophobicContact CG-CZ 3.87Å; E172-F184 HydrophobicContact CG-CD1 3.95Å; E172-F184 HydrophobicContact CG-CE1 3.8Å; L181-F184 HydrophobicContact CD1-CE1 4.32Å; L181-F184 HydrophobicContact CD1-CZ 4.07Å; L182-F184 WeakPolarHBondContact O-CD1 3.44Å; L182-F184 PolarHBondContact O-N 2.79Å; F184-F189 HydrophobicContact CB-CE2 4.13Å; F184-F189 HydrophobicContact CD2-CE2 4.13Å; F184-F189 AromaticContact CD2-CZ 3.8Å; F184-F189 HydrophobicContact CD2-CZ 3.8Å; F184-V245 HydrophobicContact CB-CG1 3.94Å; F184-H249 AromaticContact CD1-CD2 3.77Å; F184-H249 HydrophobicContact CD2-CB 3.8Å; F184-H249 AromaticContact CE1-CD2 3.75Å; F184-H249 HydrophobicContact CE2-CB 3.91Å; F184-H249 HydrophobicContact CG-CB 4.35Å; F184-H249 AromaticContact CG-CD2 3.96Å; F184-H249 AromaticContact CZ-CD2 3.93Å; F184-M252 HydrophobicContact CE2-SD 3.5Å; F184-M252 WeakPolarHBondContact CE2-SD 3.26Å; F184-M252 HydrophobicContact CZ-CB 4.32Å; F184-M252 HydrophobicContact CZ-CE 3.96Å; F184-M252 HydrophobicContact CZ-SD 3.5Å; F184-M252 WeakPolarHBondContact CZ-SD 3.49Å
185K94.3Very high94.5Very high121 Ų12149.1 Ų49.153%0.52626%0.26SS..PPolyproline II helixtrans-75.6144.9167.8-60-172.8-179.2-1670109.8P171 G187P171-K185 WeakPolarHBondContact O-CB 3.31Å; P171-K185 WeakPolarHBondContact O-CG 3.46Å; P171-K185 PolarHBondContact O-N 3.24Å; K185-G187 VanDerWaalsContact C-N 3.31Å; K185-G187 PolarHBondContact O-N 2.79Å
186K93.4Very high94.6Very high97 Ų9747 Ų4742%0.42226%0.255SS..THydrogen-bonded Turntrans-73.7-15.3-174.2-57.9-175.1176.7-178.60115A188 F189 Y190 V241 V245K186-A188 PolarHBondContact O-N 3.41Å; K186-F189 WeakPolarHBondContact O-CB 3.29Å; K186-F189 PolarHBondContact O-N 2.95Å; K186-Y190 HydrophobicContact CB-CD2 3.66Å; K186-Y190 HydrophobicContact CB-CE2 3.57Å; K186-Y190 HydrophobicContact CD-CE2 3.96Å; K186-Y190 HydrophobicContact CG-CE2 4.41Å; K186-Y190 WeakPolarHBondContact O-CD2 3.38Å; K186-Y190 PolarHBondContact O-N 3.34Å; K186-V241 HydrophobicContact CB-CG1 4.11Å; K186-V241 HydrophobicContact CD-CG1 4.34Å; K186-V241 HydrophobicContact CG-CG1 4.38Å; K186-V245 HydrophobicContact CG-CG2 4.3Å
187G91.8Very high94.8Very high34 Ų3446.8 Ų46.835%0.35126%0.255SS..Hα-helixtrans-56.7-42.1-169.900000114.9M153 K185 F189 L191M153-G187 VanDerWaalsContact CE-O 3.27Å; M153-G187 WeakPolarHBondContact CE-O 3.44Å; K185-G187 VanDerWaalsContact C-N 3.31Å; K185-G187 PolarHBondContact O-N 2.79Å; G187-F189 VanDerWaalsContact C-N 3.26Å; G187-F189 PolarHBondContact O-N 3.26Å; G187-L191 WeakPolarHBondContact O-CB 3.28Å; G187-L191 PolarHBondContact O-N 3.41Å; G187-L191 VanDerWaalsContact O-N 3.09Å
188A94.9Very high95.2Very high3 Ų346 Ų463%0.02525%0.253CS..Hα-helixtrans-63.5-34.1176.900000112.6V93 V95 I169 K186 A192V93-A188 HydrophobicContact CG1-CB 4.18Å; V95-A188 HydrophobicContact CG1-CB 3.87Å; I169-A188 HydrophobicContact CB-CB 4.1Å; I169-A188 HydrophobicContact CD1-CB 3.7Å; I169-A188 HydrophobicContact CG1-CB 4.46Å; I169-A188 HydrophobicContact CG2-CB 3.99Å; K186-A188 PolarHBondContact O-N 3.41Å; A188-A192 PolarHBondContact O-N 2.77Å; A188-A192 VanDerWaalsContact O-N 3.1Å
189F96.9Very high95.7Very high0 Ų040.6 Ų40.60%022%0.224CC..Hα-helixtrans-79.4-40.5-176.2-59.2-89.6000111.4P171 F184 K186 G187 L191 A192 V193 I199 V241 L244 V245 C248P171-F189 HydrophobicContact CB-CE2 4.15Å; F184-F189 HydrophobicContact CB-CE2 4.13Å; F184-F189 HydrophobicContact CD2-CE2 4.13Å; F184-F189 AromaticContact CD2-CZ 3.8Å; F184-F189 HydrophobicContact CD2-CZ 3.8Å; K186-F189 WeakPolarHBondContact O-CB 3.29Å; K186-F189 PolarHBondContact O-N 2.95Å; G187-F189 VanDerWaalsContact C-N 3.26Å; G187-F189 PolarHBondContact O-N 3.26Å; F189-L191 VanDerWaalsContact C-N 3.33Å; F189-A192 PolarHBondContact O-N 3.39Å; F189-V193 WeakPolarHBondContact O-CB 3.19Å; F189-V193 WeakPolarHBondContact O-CG2 3.29Å; F189-V193 PolarHBondContact O-N 3.08Å; F189-I199 HydrophobicContact CB-CD1 4.48Å; F189-I199 HydrophobicContact CD1-CD1 3.32Å; F189-I199 HydrophobicContact CE1-CD1 3.75Å; F189-I199 HydrophobicContact CG-CD1 4.17Å; F189-V241 HydrophobicContact CB-CG1 3.91Å; F189-L244 HydrophobicContact CB-CD2 4.36Å; F189-L244 HydrophobicContact CD1-CD2 4.07Å; F189-L244 HydrophobicContact CD1-CG 3.88Å; F189-V245 HydrophobicContact CB-CG2 3.97Å; F189-V245 HydrophobicContact CD1-CG2 3.95Å; F189-V245 HydrophobicContact CD2-CG2 3.44Å; F189-V245 VanDerWaalsContact CD2-CG2 3.44Å; F189-V245 HydrophobicContact CE1-CG2 4.33Å; F189-V245 HydrophobicContact CE2-CG2 3.86Å; F189-V245 HydrophobicContact CG-CG2 3.48Å; F189-V245 VanDerWaalsContact CG-CG2 3.48Å; F189-V245 HydrophobicContact CZ-CG2 4.29Å; F189-C248 HydrophobicContact CE1-CB 3.55Å; F189-C248 HydrophobicContact CZ-CB 3.94Å
190Y95.1Very high96.1Very high72 Ų7238.7 Ų38.728%0.28220%0.204SC..Hα-helixtrans-58-46.2168.6-83.2-71.7000111.6K186 A192 V193 Q194 E238 V241K186-Y190 HydrophobicContact CB-CD2 3.66Å; K186-Y190 HydrophobicContact CB-CE2 3.57Å; K186-Y190 HydrophobicContact CD-CE2 3.96Å; K186-Y190 HydrophobicContact CG-CE2 4.41Å; K186-Y190 WeakPolarHBondContact O-CD2 3.38Å; K186-Y190 PolarHBondContact O-N 3.34Å; Y190-A192 VanDerWaalsContact C-N 3.33Å; Y190-A192 PolarHBondContact O-N 3.21Å; Y190-V193 PolarHBondContact O-N 3.41Å; Y190-Q194 VanDerWaalsContact O-CB 3.32Å; Y190-Q194 WeakPolarHBondContact O-CB 3.49Å; Y190-Q194 VanDerWaalsContact O-CG 3.29Å; Y190-Q194 WeakPolarHBondContact O-CG 3.19Å; Y190-Q194 PolarHBondContact O-N 2.88Å; Y190-E238 HydrophobicContact CD1-CG 4.08Å; Y190-E238 HydrophobicContact CE1-CB 3.91Å; Y190-E238 HydrophobicContact CE1-CG 3.86Å; Y190-V241 HydrophobicContact CD1-CG2 3.96Å; Y190-V241 HydrophobicContact CD2-CG1 4.06Å; Y190-V241 HydrophobicContact CE1-CB 4.43Å; Y190-V241 HydrophobicContact CE1-CG2 3.99Å; Y190-V241 HydrophobicContact CE2-CG1 3.9Å; Y190-V241 HydrophobicContact CG-CG1 4.43Å; Y190-V241 HydrophobicContact CG-CG2 4.33Å
191L95.4Very high96.3Very high2 Ų236.4 Ų36.41%0.0119%0.192CC..Hα-helixtrans-56.5-47.4176.4174.465000111.7V93 M153 L156 G157 M160 V167 I169 G187 F189 A195V93-L191 HydrophobicContact CG2-CD2 3.89Å; V93-L191 HydrophobicContact CG2-CG 3.95Å; M153-L191 HydrophobicContact CE-CB 4.18Å; M153-L191 HydrophobicContact CE-CD2 4.3Å; M153-L191 VanDerWaalsContact O-CD1 3.3Å; M153-L191 WeakPolarHBondContact O-CD1 3.26Å; L156-L191 HydrophobicContact CD2-CD2 4.16Å; L156-L191 HydrophobicContact CG-CD2 4.41Å; G157-L191 VanDerWaalsContact CA-CD1 3.46Å; M160-L191 HydrophobicContact CE-CD1 4.35Å; M160-L191 HydrophobicContact CE-CG 4.36Å; V167-L191 HydrophobicContact CB-CD2 4.36Å; V167-L191 HydrophobicContact CG1-CD2 4Å; I169-L191 HydrophobicContact CD1-CD2 3.85Å; G187-L191 WeakPolarHBondContact O-CB 3.28Å; G187-L191 PolarHBondContact O-N 3.41Å; G187-L191 VanDerWaalsContact O-N 3.09Å; F189-L191 VanDerWaalsContact C-N 3.33Å; L191-A195 VanDerWaalsContact O-CB 3.26Å; L191-A195 WeakPolarHBondContact O-CB 3.49Å; L191-A195 PolarHBondContact O-N 3.28Å
192A97.1Very high96.4Very high0 Ų035.7 Ų35.70%019%0.188CC..Hα-helixtrans-64.8-42.4-179.200000112.6V93 A188 F189 Y190 Q196 V197 I199 T233V93-A192 HydrophobicContact CB-CB 4.13Å; V93-A192 HydrophobicContact CG2-CB 3.84Å; A188-A192 PolarHBondContact O-N 2.77Å; A188-A192 VanDerWaalsContact O-N 3.1Å; F189-A192 PolarHBondContact O-N 3.39Å; Y190-A192 VanDerWaalsContact C-N 3.33Å; Y190-A192 PolarHBondContact O-N 3.21Å; A192-Q196 WeakPolarHBondContact O-CA 3.47Å; A192-Q196 PolarHBondContact O-N 3.41Å; A192-V197 PolarHBondContact O-N 3.32Å; A192-I199 HydrophobicContact CB-CD1 3.71Å; A192-I199 HydrophobicContact CB-CG1 3.39Å; A192-T233 HydrophobicContact CB-CG2 4.03Å; A192-T233 PolarHBondContact O-OG1 3.39Å
193V96.9Very high96.4Very high4 Ų433.4 Ų33.42%0.02418%0.176CC..Hα-helixtrans-67.9-47.2177.2168.80000111.2F189 Y190 A195 Q196 T233 L236 V241 L244F189-V193 WeakPolarHBondContact O-CB 3.19Å; F189-V193 WeakPolarHBondContact O-CG2 3.29Å; F189-V193 PolarHBondContact O-N 3.08Å; Y190-V193 PolarHBondContact O-N 3.41Å; V193-A195 VanDerWaalsContact C-N 3.33Å; V193-A195 PolarHBondContact O-N 3.5Å; V193-Q196 PolarHBondContact O-N 3.18Å; V193-Q196 VanDerWaalsContact O-N 3.07Å; V193-Q196 PolarHBondContact O-NE2 2.87Å; V193-T233 HydrophobicContact CG2-CG2 4.4Å; V193-L236 WeakPolarHBondContact CG1-O 3.38Å; V193-L236 HydrophobicContact CG2-CB 4.24Å; V193-V241 HydrophobicContact CB-CG2 4.37Å; V193-V241 HydrophobicContact CG2-CG2 3.99Å; V193-L244 HydrophobicContact CG2-CD2 3.82Å
194Q94.3Very high96.4Very high94 Ų9428.3 Ų28.344%0.43914%0.143SC..Hα-helixtrans-63.8-39-179.8-73.1175.3-8.500112.1Y190 Q196 E238Y190-Q194 VanDerWaalsContact O-CB 3.32Å; Y190-Q194 WeakPolarHBondContact O-CB 3.49Å; Y190-Q194 VanDerWaalsContact O-CG 3.29Å; Y190-Q194 WeakPolarHBondContact O-CG 3.19Å; Y190-Q194 PolarHBondContact O-N 2.88Å; Q194-Q196 VanDerWaalsContact C-N 3.29Å; Q194-E238 PolarHBondContact NE2-OE1 3.33Å
195A95.3Very high96.4Very high18 Ų1827.4 Ų27.415%0.14914%0.139CC..THydrogen-bonded Turntrans-82.2-5.717600000113.7M160 V161 L191 V193 V197M160-A195 HydrophobicContact CE-CB 3.27Å; V161-A195 HydrophobicContact CG2-CB 4.05Å; L191-A195 VanDerWaalsContact O-CB 3.26Å; L191-A195 WeakPolarHBondContact O-CB 3.49Å; L191-A195 PolarHBondContact O-N 3.28Å; V193-A195 VanDerWaalsContact C-N 3.33Å; V193-A195 PolarHBondContact O-N 3.5Å; A195-V197 HydrophobicContact CB-CG1 4.07Å; A195-V197 HydrophobicContact CB-CG2 4.17Å; A195-V197 WeakPolarHBondContact O-CG1 3.44Å; A195-V197 PolarHBondContact O-N 2.85Å
196Q95.8Very high96.5Very high86 Ų8622.3 Ų22.340%0.40212%0.119SC..THydrogen-bonded Turntrans51.940.9-175.1-63.4-74.5-63.800112.9A192 V193 Q194 T233 L236A192-Q196 WeakPolarHBondContact O-CA 3.47Å; A192-Q196 PolarHBondContact O-N 3.41Å; V193-Q196 PolarHBondContact O-N 3.18Å; V193-Q196 VanDerWaalsContact O-N 3.07Å; V193-Q196 PolarHBondContact O-NE2 2.87Å; Q194-Q196 VanDerWaalsContact C-N 3.29Å; Q196-T233 PolarHBondContact OE1-O 2.95Å; Q196-L236 PolarHBondContact NE2-O 3.4Å
197V96.9Very high96.6Very high6 Ų618 Ų184%0.03610%0.1CC..  trans-113.7148.2178.4-55.90000111.6P91 V93 M160 V161 A192 A195 T233P91-V197 HydrophobicContact CB-CG1 4.19Å; P91-V197 HydrophobicContact CG-CG1 3.74Å; V93-V197 HydrophobicContact CG2-CG2 4.01Å; M160-V197 HydrophobicContact CE-CB 4.29Å; M160-V197 HydrophobicContact CE-CG1 3.99Å; M160-V197 HydrophobicContact CE-CG2 3.32Å; M160-V197 HydrophobicContact SD-CG2 4.03Å; V161-V197 HydrophobicContact CG2-CG1 4.28Å; A192-V197 PolarHBondContact O-N 3.32Å; A195-V197 HydrophobicContact CB-CG1 4.07Å; A195-V197 HydrophobicContact CB-CG2 4.17Å; A195-V197 WeakPolarHBondContact O-CG1 3.44Å; A195-V197 PolarHBondContact O-N 2.85Å; V197-T233 PolarHBondContact N-OG1 2.99Å; V197-T233 WeakPolarHBondContact O-CG2 3.28Å; V197-T233 PolarHBondContact O-OG1 3.36Å
198P97.8Very high96.7Very high37 Ų3719.2 Ų19.224%0.2410%0.103CC..  trans-66.9157.8-179.128.5-36.1000112.8C92 V93 A230 I231C92-P198 WeakPolarHBondContact CA-O 3.47Å; C92-P198 HydrophobicContact CB-CG 4.06Å; C92-P198 WeakPolarHBondContact CB-O 3.25Å; V93-P198 PolarHBondContact N-O 3.38Å; P198-A230 HydrophobicContact CB-CB 4.16Å; P198-I231 WeakPolarHBondContact CA-O 3.33Å
199I98.6Very high96.6Very high0 Ų022.2 Ų22.20%012%0.124CC..EExtended strand (participates in β ladder)trans-100.8126.2171-59177.4000109.1V93 V95 F189 A192 P201 A230 I231 T233 L244V93-I199 HydrophobicContact CB-CG1 4.48Å; V93-I199 CarbonylContact O-C 3.58Å; V93-I199 VanDerWaalsContact O-CA 3.23Å; V93-I199 WeakPolarHBondContact O-CA 3.36Å; V95-I199 HydrophobicContact CB-CG2 4.48Å; V95-I199 HydrophobicContact CG1-CG2 4.07Å; V95-I199 HydrophobicContact CG2-CG2 3.62Å; F189-I199 HydrophobicContact CB-CD1 4.48Å; F189-I199 HydrophobicContact CD1-CD1 3.32Å; F189-I199 HydrophobicContact CE1-CD1 3.75Å; F189-I199 HydrophobicContact CG-CD1 4.17Å; A192-I199 HydrophobicContact CB-CD1 3.71Å; A192-I199 HydrophobicContact CB-CG1 3.39Å; I199-P201 WeakPolarHBondContact O-CD 3.48Å; I199-A230 CarbonylContact O-C 3.55Å; I199-A230 WeakPolarHBondContact O-CA 3.44Å; I199-I231 HydrophobicContact CB-CB 4.45Å; I199-I231 PolarHBondContact N-O 2.86Å; I199-I231 PolarHBondContact O-N 2.95Å; I199-T233 HydrophobicContact CD1-CG2 4.48Å; I199-T233 HydrophobicContact CG1-CG2 4.25Å; I199-L244 HydrophobicContact CD1-CD2 3.76Å; I199-L244 HydrophobicContact CD1-CG 4.16Å
200V98.6Very high96.5Very high1 Ų122.3 Ų22.31%0.00612%0.124CC..EExtended strand (participates in β ladder)trans-107.1109.3174.6-176.20000109.6L86 A89 C92 V93 I94 V95 V227 A230L86-V200 HydrophobicContact CD2-CG1 3.98Å; A89-V200 HydrophobicContact CB-CG2 3.56Å; C92-V200 HydrophobicContact CB-CG2 4.23Å; V93-V200 PolarHBondContact O-N 2.98Å; I94-V200 WeakPolarHBondContact CA-O 3.09Å; I94-V200 HydrophobicContact CG1-CB 4.32Å; V95-V200 PolarHBondContact N-O 2.59Å; V200-V227 HydrophobicContact CG1-CG1 3.75Å; V200-A230 HydrophobicContact CG2-CB 4.08Å
201P98.7Very high96.5Very high1 Ų119.8 Ų19.81%0.00611%0.114CC..EExtended strand (participates in β ladder)trans-79.1134.1176.4-8.925.4000111.9V95 I199 L228 E229 I231 M252V95-P201 HydrophobicContact CG2-CB 4.14Å; V95-P201 CarbonylContact O-C 3.52Å; V95-P201 WeakPolarHBondContact O-CA 3.47Å; I199-P201 WeakPolarHBondContact O-CD 3.48Å; P201-L228 HydrophobicContact CB-CB 4.01Å; P201-L228 HydrophobicContact CB-CD1 4.05Å; P201-L228 HydrophobicContact CB-CG 4.3Å; P201-L228 HydrophobicContact CG-CB 4.03Å; P201-L228 HydrophobicContact CG-CD1 4.45Å; P201-L228 PolarHBondContact O-N 3.36Å; P201-E229 WeakPolarHBondContact CD-O 3.19Å; P201-I231 HydrophobicContact CG-CD1 4.08Å; P201-I231 HydrophobicContact CG-CG1 4.42Å; P201-M252 HydrophobicContact CB-CG 3.61Å; P201-M252 HydrophobicContact CB-SD 3.87Å
202V98.7Very high96.4Very high0 Ų020.5 Ų20.50%012%0.118CC..EExtended strand (participates in β ladder)trans-123.1122.9174.3-179.50000109.2L86 I94 V95 S96 W168 Y204 V225 V227L86-V202 HydrophobicContact CD1-CG2 4.49Å; L86-V202 HydrophobicContact CD2-CG2 3.84Å; I94-V202 HydrophobicContact CG2-CB 4.44Å; I94-V202 HydrophobicContact CG2-CG2 3.66Å; V95-V202 PolarHBondContact O-N 3Å; S96-V202 WeakPolarHBondContact CA-O 3.41Å; S96-V202 WeakPolarHBondContact CB-O 3.16Å; W168-V202 HydrophobicContact CH2-CB 4.03Å; W168-V202 HydrophobicContact CH2-CG1 3.95Å; W168-V202 HydrophobicContact CH2-CG2 3.9Å; W168-V202 HydrophobicContact CZ2-CB 4.09Å; W168-V202 HydrophobicContact CZ2-CG1 4.18Å; W168-V202 HydrophobicContact CZ2-CG2 4.36Å; V202-Y204 HydrophobicContact CG1-CD2 4.48Å; V202-Y204 HydrophobicContact CG1-CE2 3.85Å; V202-V225 HydrophobicContact CG1-CG1 3.56Å; V202-V227 HydrophobicContact CG2-CG1 4.33Å; V202-V227 HydrophobicContact CG2-CG2 4.35Å
203V98.6Very high96.2Very high0 Ų023 Ų230%013%0.133CC..EExtended strand (participates in β ladder)trans-115.2121.3-173.9-170.50000110.4N97 V225 Q226 L228 M252 T255 F256 I259N97-V203 WeakPolarHBondContact OD1-CA 3.31Å; V203-V225 CarbonylContact O-C 3.55Å; V203-V225 WeakPolarHBondContact O-CA 3.49Å; V203-Q226 PolarHBondContact N-O 3.43Å; V203-Q226 PolarHBondContact O-N 3.19Å; V203-L228 HydrophobicContact CG2-CD1 4.09Å; V203-L228 HydrophobicContact CG2-CG 4.36Å; V203-M252 HydrophobicContact CG2-CB 4Å; V203-M252 HydrophobicContact CG2-CE 4.27Å; V203-M252 HydrophobicContact CG2-CG 3.92Å; V203-T255 HydrophobicContact CB-CG2 3.95Å; V203-T255 HydrophobicContact CG1-CG2 4.14Å; V203-T255 HydrophobicContact CG2-CG2 4.04Å; V203-F256 HydrophobicContact CG1-CB 3.72Å; V203-F256 HydrophobicContact CG1-CD2 4.29Å; V203-I259 HydrophobicContact CB-CD1 4.32Å; V203-I259 HydrophobicContact CG1-CD1 3.96Å
204Y98.2Very high96Very high0 Ų029.9 Ų29.90%016%0.163CC..EExtended strand (participates in β ladder)trans-95.9132172.4-62.7-94.3000109.8N97 Q99 G106 L107 V110 W168 V202 V223 V225 F256N97-Y204 PolarHBondContact ND2-O 3.46Å; N97-Y204 PolarHBondContact OD1-N 3.4Å; Q99-Y204 PolarHBondContact NE2-O 2.93Å; G106-Y204 PolarHBondContact O-OH 2.97Å; L107-Y204 WeakPolarHBondContact CA-OH 3.15Å; L107-Y204 PolarHBondContact N-OH 3.14Å; V110-Y204 WeakPolarHBondContact CG2-OH 3.27Å; W168-Y204 HydrophobicContact CZ2-CE2 4.05Å; V202-Y204 HydrophobicContact CG1-CD2 4.48Å; V202-Y204 HydrophobicContact CG1-CE2 3.85Å; Y204-V223 HydrophobicContact CD1-CG1 3.96Å; Y204-V225 HydrophobicContact CD1-CB 4.36Å; Y204-V225 HydrophobicContact CD1-CG1 4.08Å; Y204-V225 HydrophobicContact CD1-CG2 3.53Å; Y204-V225 HydrophobicContact CE1-CB 4.35Å; Y204-V225 HydrophobicContact CE1-CG1 3.82Å; Y204-V225 HydrophobicContact CE1-CG2 3.58Å; Y204-F256 VanDerWaalsContact O-CD2 3.24Å; Y204-F256 WeakPolarHBondContact O-CD2 3.36Å; Y204-F256 WeakPolarHBondContact O-CE2 3.31Å
205S97.6Very high95.9Very high0 Ų032.9 Ų32.90%018%0.175CC..PPolyproline II helixtrans-60.6159.717465.20000112Q99 F207 T224Q99-S205 PolarHBondContact NE2-O 3.35Å; S205-F207 VanDerWaalsContact O-CD1 3.28Å; S205-F207 WeakPolarHBondContact O-CD1 3.46Å; S205-F207 WeakPolarHBondContact O-CE1 3.29Å; S205-F207 PolarHBondContact O-N 3.37Å; S205-T224 PolarHBondContact N-O 2.91Å; S205-T224 PolarHBondContact OG-N 2.79Å; S205-T224 PolarHBondContact OG-O 3.43Å
206S96.7Very high95.9Very high14 Ų1434.9 Ų34.910%0.09818%0.18CC..PPolyproline II helixtrans-53.3135.6178.7-172.40000112.3Q99 S208 S260Q99-S206 VanDerWaalsContact OE1-CA 3.25Å; S206-S208 VanDerWaalsContact C-N 3.33Å; S206-S208 WeakPolarHBondContact OG-CB 3.38Å; S206-S208 PolarHBondContact OG-N 3.17Å; S206-S208 PolarHBondContact OG-OG 3.19Å; S206-S260 PolarHBondContact N-OG 2.9Å
207F95.6Very high95.8Very high7 Ų733 Ų333%0.03117%0.172CC..  trans-85.8-7.1172.1-58.8-13.2000113.2Q99 S100 L102 D103 S205 S209 F210 Y211 V223Q99-F207 HydrophobicContact CB-CD2 3.73Å; Q99-F207 HydrophobicContact CB-CE2 3.84Å; Q99-F207 HydrophobicContact CB-CG 4.36Å; Q99-F207 VanDerWaalsContact NE2-CE1 3.32Å; S100-F207 WeakPolarHBondContact OG-CD2 3.46Å; S100-F207 WeakPolarHBondContact OG-CE2 3.5Å; L102-F207 HydrophobicContact CB-CE2 4.2Å; D103-F207 WeakPolarHBondContact OD1-CE2 3.43Å; D103-F207 VanDerWaalsContact OD1-CZ 3.27Å; D103-F207 WeakPolarHBondContact OD1-CZ 3.26Å; S205-F207 VanDerWaalsContact O-CD1 3.28Å; S205-F207 WeakPolarHBondContact O-CD1 3.46Å; S205-F207 WeakPolarHBondContact O-CE1 3.29Å; S205-F207 PolarHBondContact O-N 3.37Å; F207-S209 PolarHBondContact O-N 2.67Å; F207-F210 HydrophobicContact CB-CE1 3.99Å; F207-F210 HydrophobicContact CB-CE2 4.38Å; F207-F210 HydrophobicContact CB-CZ 3.78Å; F207-F210 AromaticContact CD1-CE1 3.96Å; F207-F210 HydrophobicContact CD1-CE1 3.96Å; F207-F210 AromaticContact CD1-CZ 3.69Å; F207-F210 HydrophobicContact CD1-CZ 3.69Å; F207-F210 HydrophobicContact CE1-CZ 4.47Å; F207-F210 HydrophobicContact CG-CE1 4.24Å; F207-F210 AromaticContact CG-CZ 3.77Å; F207-F210 HydrophobicContact CG-CZ 3.77Å; F207-F210 PolarHBondContact O-N 3.48Å; F207-Y211 CarbonylContact C-O 3.58Å; F207-Y211 PolarHBondContact O-N 3.49Å; F207-Y211 VanDerWaalsContact O-O 3.09Å; F207-V223 HydrophobicContact CD1-CG1 4.47Å; F207-V223 HydrophobicContact CD1-CG2 3.96Å; F207-V223 HydrophobicContact CE1-CB 4.4Å; F207-V223 HydrophobicContact CE1-CG1 3.71Å; F207-V223 HydrophobicContact CE1-CG2 3.71Å
208S93.6Very high95.7Very high58 Ų5833 Ų3341%0.40617%0.171SC..THydrogen-bonded Turntrans-58.5-23.3-168.161.50000115.3S206S206-S208 VanDerWaalsContact C-N 3.33Å; S206-S208 WeakPolarHBondContact OG-CB 3.38Å; S206-S208 PolarHBondContact OG-N 3.17Å; S206-S208 PolarHBondContact OG-OG 3.19Å
209S92.6Very high95.6Very high67 Ų6733.8 Ų33.847%0.46918%0.176SC..THydrogen-bonded Turntrans-73.6-26.1177.858.70000113.7F207 L217F207-S209 PolarHBondContact O-N 2.67Å; S209-L217 WeakPolarHBondContact O-CD2 3.47Å
210F94.3Very high95.4Very high2 Ų237.7 Ų37.71%0.00920%0.203CC..THydrogen-bonded Turntrans-129-21.5-17571-94.7000113.8L76 L102 F207 F218 T219 V223L76-F210 HydrophobicContact CD1-CE2 4.41Å; L76-F210 HydrophobicContact CD2-CD2 3.55Å; L76-F210 HydrophobicContact CD2-CE2 3.38Å; L76-F210 HydrophobicContact CD2-CG 4.43Å; L76-F210 HydrophobicContact CD2-CZ 4.13Å; L102-F210 HydrophobicContact CD1-CE2 3.87Å; F207-F210 HydrophobicContact CB-CE1 3.99Å; F207-F210 HydrophobicContact CB-CE2 4.38Å; F207-F210 HydrophobicContact CB-CZ 3.78Å; F207-F210 AromaticContact CD1-CE1 3.96Å; F207-F210 HydrophobicContact CD1-CE1 3.96Å; F207-F210 AromaticContact CD1-CZ 3.69Å; F207-F210 HydrophobicContact CD1-CZ 3.69Å; F207-F210 HydrophobicContact CE1-CZ 4.47Å; F207-F210 HydrophobicContact CG-CE1 4.24Å; F207-F210 AromaticContact CG-CZ 3.77Å; F207-F210 HydrophobicContact CG-CZ 3.77Å; F207-F210 PolarHBondContact O-N 3.48Å; F210-F218 CarbonylContact O-C 3.47Å; F210-F218 WeakPolarHBondContact O-CA 3.29Å; F210-T219 PolarHBondContact O-N 3.41Å; F210-T219 PolarHBondContact O-OG1 3Å; F210-V223 HydrophobicContact CE1-CG2 3.79Å; F210-V223 HydrophobicContact CZ-CG2 3.59Å
211Y95.1Very high95.2Very high19 Ų1937.9 Ų37.98%0.07521%0.205CC..EExtended strand (participates in β ladder)trans-133.1116.8177.3-176.6-92.9000110.8F26 S100 L102 F207 T213 L217 F218F26-Y211 HydrophobicContact CE2-CD2 4.44Å; F26-Y211 HydrophobicContact CE2-CE2 4.02Å; F26-Y211 HydrophobicContact CZ-CE2 4.35Å; S100-Y211 VanDerWaalsContact CB-CE1 3.5Å; L102-Y211 HydrophobicContact CD1-CD1 4.25Å; L102-Y211 HydrophobicContact CD1-CD2 3.55Å; L102-Y211 HydrophobicContact CD1-CE2 4.14Å; L102-Y211 HydrophobicContact CD1-CG 3.59Å; L102-Y211 HydrophobicContact CG-CD2 4.24Å; L102-Y211 HydrophobicContact CG-CE2 4.35Å; L102-Y211 HydrophobicContact CG-CG 4.4Å; F207-Y211 CarbonylContact C-O 3.58Å; F207-Y211 PolarHBondContact O-N 3.49Å; F207-Y211 VanDerWaalsContact O-O 3.09Å; Y211-T213 HydrophobicContact CE1-CG2 3.85Å; Y211-L217 CarbonylContact C-O 3.57Å; Y211-L217 VanDerWaalsContact CA-O 3.28Å; Y211-L217 WeakPolarHBondContact CA-O 3.38Å; Y211-F218 HydrophobicContact CD2-CB 4.17Å; Y211-F218 AromaticContact CD2-CD1 3.94Å; Y211-F218 HydrophobicContact CD2-CD1 3.94Å; Y211-F218 AromaticContact CD2-CD2 3.78Å; Y211-F218 HydrophobicContact CD2-CD2 3.78Å; Y211-F218 HydrophobicContact CD2-CE1 4.24Å; Y211-F218 HydrophobicContact CD2-CE2 4.1Å; Y211-F218 AromaticContact CD2-CG 3.7Å; Y211-F218 HydrophobicContact CD2-CG 3.7Å; Y211-F218 HydrophobicContact CD2-CZ 4.32Å; Y211-F218 AromaticContact CE2-CD1 3.9Å; Y211-F218 HydrophobicContact CE2-CD1 3.9Å; Y211-F218 HydrophobicContact CE2-CE1 4.11Å; Y211-F218 HydrophobicContact CE2-CG 4.14Å
212N94.6Very high95Very high16 Ų1638.3 Ų38.39%0.08621%0.208CC..EExtended strand (participates in β ladder)trans-149.7117.9176.6-171.6-62.6000110.9K214 K215 K216 L217N212-K214 WeakPolarHBondContact OD1-CB 3.28Å; N212-K214 PolarHBondContact OD1-N 2.85Å; N212-K215 HydrophobicContact CB-CB 4.12Å; N212-K215 PolarHBondContact OD1-N 2.88Å; N212-K216 WeakPolarHBondContact O-CA 3.5Å; N212-K216 PolarHBondContact O-N 3.02Å; N212-L217 HydrophobicContact CB-CB 4.11Å; N212-L217 PolarHBondContact N-O 2.93Å; N212-L217 PolarHBondContact O-N 2.95Å
213T92.4Very high94.8Very high52 Ų5238.3 Ų38.332%0.31921%0.208SC..THydrogen-bonded Turntrans-70.7-32.5-174.862.10000113.4F26 Y211 K216F26-T213 HydrophobicContact CZ-CG2 4.18Å; Y211-T213 HydrophobicContact CE1-CG2 3.85Å; T213-K216 WeakPolarHBondContact O-CD 3.49Å; T213-K216 WeakPolarHBondContact O-CE 3.48Å; T213-K216 PolarHBondContact O-NZ 3.18Å
214K92.1Very high94.8Very high150 Ų15039 Ų3965%0.65221%0.212SC*.THydrogen-bonded Turntrans-73.7-43.6179.1-62.6175.7-175.7165.90110.8N212 K216N212-K214 WeakPolarHBondContact OD1-CB 3.28Å; N212-K214 PolarHBondContact OD1-N 2.85Å; K214-K216 VanDerWaalsContact C-N 3.3Å; K214-K216 PolarHBondContact O-N 3.19Å
215K93.1Very high94.8Very high157 Ų15739 Ų3968%0.68321%0.212SC*.THydrogen-bonded Turntrans-83-2.1178.9-61.2-178.1179.6-179.50113.9N212 L217N212-K215 HydrophobicContact CB-CB 4.12Å; N212-K215 PolarHBondContact OD1-N 2.88Å; K215-L217 HydrophobicContact CB-CB 4.44Å; K215-L217 PolarHBondContact O-N 3.03Å
216K94.8Very high94.8Very high60 Ų6040.1 Ų40.126%0.26122%0.217SC..THydrogen-bonded Turntrans50.545.3-173.8-51.4-60.8169-162.60111.8A23 F26 Y27 N212 T213 K214A23-K216 HydrophobicContact CB-CB 4.42Å; A23-K216 HydrophobicContact CB-CG 4.15Å; F26-K216 HydrophobicContact CB-CB 3.89Å; F26-K216 HydrophobicContact CD1-CB 4.42Å; F26-K216 HydrophobicContact CD1-CD 3.76Å; F26-K216 VanDerWaalsContact CD2-C 3.47Å; F26-K216 HydrophobicContact CD2-CB 4.47Å; F26-K216 HydrophobicContact CE1-CD 4.15Å; F26-K216 HydrophobicContact CG-CB 4.01Å; F26-K216 HydrophobicContact CG-CD 4.21Å; Y27-K216 HydrophobicContact CE2-CD 4.31Å; Y27-K216 WeakPolarHBondContact OH-CE 3.33Å; Y27-K216 PolarHBondContact OH-NZ 3.3Å; N212-K216 WeakPolarHBondContact O-CA 3.5Å; N212-K216 PolarHBondContact O-N 3.02Å; T213-K216 WeakPolarHBondContact O-CD 3.49Å; T213-K216 WeakPolarHBondContact O-CE 3.48Å; T213-K216 PolarHBondContact O-NZ 3.18Å; K214-K216 VanDerWaalsContact C-N 3.3Å; K214-K216 PolarHBondContact O-N 3.19Å
217L94.4Very high94.9Very high45 Ų4539.4 Ų39.424%0.23621%0.213CC..EExtended strand (participates in β ladder)trans-102.4123.1179-177.167.1000108.5F26 S209 Y211 N212 K215 T219F26-L217 WeakPolarHBondContact CE2-O 3.38Å; S209-L217 WeakPolarHBondContact O-CD2 3.47Å; Y211-L217 CarbonylContact C-O 3.57Å; Y211-L217 VanDerWaalsContact CA-O 3.28Å; Y211-L217 WeakPolarHBondContact CA-O 3.38Å; N212-L217 HydrophobicContact CB-CB 4.11Å; N212-L217 PolarHBondContact N-O 2.93Å; N212-L217 PolarHBondContact O-N 2.95Å; K215-L217 HydrophobicContact CB-CB 4.44Å; K215-L217 PolarHBondContact O-N 3.03Å; L217-T219 HydrophobicContact CD1-CG2 3.79Å
218F95.1Very high95.1Very high6 Ų640.3 Ų40.33%0.02622%0.218CC..EExtended strand (participates in β ladder)trans-146.796166.6-166.7175.2000109F26 K29 V30 Y74 L102 F210 Y211F26-F218 HydrophobicContact CD2-CB 3.72Å; F26-F218 HydrophobicContact CE2-CB 4.13Å; K29-F218 HydrophobicContact CB-CD1 3.59Å; K29-F218 HydrophobicContact CB-CE1 4.06Å; K29-F218 HydrophobicContact CB-CG 4.26Å; K29-F218 HydrophobicContact CD-CB 4.13Å; K29-F218 HydrophobicContact CD-CD1 4.37Å; K29-F218 HydrophobicContact CD-CG 4.2Å; K29-F218 VanDerWaalsContact CD-O 3.26Å; K29-F218 WeakPolarHBondContact CD-O 3.39Å; K29-F218 PolarHBondContact NZ-O 2.64Å; V30-F218 HydrophobicContact CG2-CD1 4.24Å; Y74-F218 AromaticContact CD1-CE1 3.66Å; Y74-F218 HydrophobicContact CD1-CE1 3.66Å; Y74-F218 AromaticContact CD1-CE2 3.67Å; Y74-F218 HydrophobicContact CD1-CE2 3.67Å; Y74-F218 AromaticContact CD1-CZ 3.17Å; Y74-F218 HydrophobicContact CD1-CZ 3.17Å; Y74-F218 AromaticContact CE1-CE1 3.68Å; Y74-F218 HydrophobicContact CE1-CE1 3.68Å; Y74-F218 AromaticContact CE1-CZ 3.66Å; Y74-F218 HydrophobicContact CE1-CZ 3.66Å; Y74-F218 HydrophobicContact CG-CE2 4.16Å; Y74-F218 AromaticContact CG-CZ 3.78Å; Y74-F218 HydrophobicContact CG-CZ 3.78Å; L102-F218 HydrophobicContact CD1-CE2 3.86Å; L102-F218 HydrophobicContact CD1-CZ 4.01Å; L102-F218 HydrophobicContact CD2-CE1 4.33Å; L102-F218 HydrophobicContact CD2-CE2 4.32Å; L102-F218 HydrophobicContact CD2-CZ 3.65Å; L102-F218 HydrophobicContact CG-CZ 4.46Å; F210-F218 CarbonylContact O-C 3.47Å; F210-F218 WeakPolarHBondContact O-CA 3.29Å; Y211-F218 HydrophobicContact CD2-CB 4.17Å; Y211-F218 AromaticContact CD2-CD1 3.94Å; Y211-F218 HydrophobicContact CD2-CD1 3.94Å; Y211-F218 AromaticContact CD2-CD2 3.78Å; Y211-F218 HydrophobicContact CD2-CD2 3.78Å; Y211-F218 HydrophobicContact CD2-CE1 4.24Å; Y211-F218 HydrophobicContact CD2-CE2 4.1Å; Y211-F218 AromaticContact CD2-CG 3.7Å; Y211-F218 HydrophobicContact CD2-CG 3.7Å; Y211-F218 HydrophobicContact CD2-CZ 4.32Å; Y211-F218 AromaticContact CE2-CD1 3.9Å; Y211-F218 HydrophobicContact CE2-CD1 3.9Å; Y211-F218 HydrophobicContact CE2-CE1 4.11Å; Y211-F218 HydrophobicContact CE2-CG 4.14Å
219T94.3Very high95.3Very high55 Ų5543.4 Ų43.434%0.33723%0.226SC..  trans-127.7176-175.955.60000110.2F210 L217F210-T219 PolarHBondContact O-N 3.41Å; F210-T219 PolarHBondContact O-OG1 3Å; L217-T219 HydrophobicContact CD1-CG2 3.79Å
220S94.5Very high95.5Very high81 Ų8142.1 Ų42.157%0.56622%0.219SC*.  trans-65.7150173.7-560000111.2G75G75-S220 WeakPolarHBondContact O-CA 2.97Å; G75-S220 VanDerWaalsContact O-CB 3.31Å; G75-S220 WeakPolarHBondContact O-CB 3.15Å
221G93.8Very high95.7Very high5 Ų543.5 Ų43.55%0.05223%0.226CC..EExtended strand (participates in β ladder)trans-168.4164.7-175.400000112.6G75 L76 R77G75-G221 PolarHBondContact O-N 3.41Å; L76-G221 WeakPolarHBondContact CA-O 3.48Å; R77-G221 PolarHBondContact N-O 2.95Å
222T94.8Very high95.8Very high10 Ų1047.1 Ų47.16%0.06125%0.252CS..EExtended strand (participates in β ladder)trans-114.5122176.1-60.60000109.7R77 K79 Q264R77-T222 HydrophobicContact CB-CG2 4.29Å; R77-T222 CarbonylContact O-C 3.57Å; R77-T222 WeakPolarHBondContact O-CA 3.27Å; K79-T222 HydrophobicContact CB-CG2 4.41Å; K79-T222 HydrophobicContact CD-CG2 3.82Å; K79-T222 HydrophobicContact CG-CG2 3.73Å; T222-Q264 PolarHBondContact O-NE2 2.91Å; T222-Q264 PolarHBondContact O-OE1 2.92Å; T222-Q264 VanDerWaalsContact O-OE1 3.09Å
223V96Very high96Very high1 Ų146.4 Ų46.41%0.00625%0.249CC..EExtended strand (participates in β ladder)trans-93.8123.2173-179.30000108.7R77 F78 K79 Y204 F207 F210 V225R77-V223 PolarHBondContact O-N 3.5Å; F78-V223 CarbonylContact C-O 3.47Å; F78-V223 WeakPolarHBondContact CA-O 3.41Å; F78-V223 HydrophobicContact CD1-CB 3.7Å; F78-V223 HydrophobicContact CD1-CG1 4.01Å; F78-V223 HydrophobicContact CD1-CG2 4.39Å; F78-V223 HydrophobicContact CE1-CB 3.72Å; F78-V223 HydrophobicContact CE1-CG1 3.96Å; F78-V223 HydrophobicContact CE1-CG2 3.95Å; F78-V223 HydrophobicContact CZ-CG2 4.43Å; K79-V223 PolarHBondContact N-O 3.32Å; Y204-V223 HydrophobicContact CD1-CG1 3.96Å; F207-V223 HydrophobicContact CD1-CG1 4.47Å; F207-V223 HydrophobicContact CD1-CG2 3.96Å; F207-V223 HydrophobicContact CE1-CB 4.4Å; F207-V223 HydrophobicContact CE1-CG1 3.71Å; F207-V223 HydrophobicContact CE1-CG2 3.71Å; F210-V223 HydrophobicContact CE1-CG2 3.79Å; F210-V223 HydrophobicContact CZ-CG2 3.59Å; V223-V225 HydrophobicContact CG1-CG2 4.17Å
224T97.8Very high96.2Very high14 Ų1448.9 Ų48.99%0.08627%0.268CS..EExtended strand (participates in β ladder)trans-86.2130.2167.5-590000108.5K79 S205 I259K79-T224 WeakPolarHBondContact O-CA 3.47Å; S205-T224 PolarHBondContact N-O 2.91Å; S205-T224 PolarHBondContact OG-N 2.79Å; S205-T224 PolarHBondContact OG-O 3.43Å; T224-I259 HydrophobicContact CG2-CB 4.28Å; T224-I259 HydrophobicContact CG2-CG2 4.48Å
225V98.2Very high96.4Very high0 Ų044.7 Ų44.70%027%0.267CS..EExtended strand (participates in β ladder)trans-116.1124.5175.7-168.60000108F78 K79 V80 R81 V110 V202 V203 Y204 V223F78-V225 HydrophobicContact CD1-CG2 4Å; K79-V225 PolarHBondContact O-N 2.7Å; V80-V225 WeakPolarHBondContact CA-O 3.43Å; V80-V225 HydrophobicContact CG1-CB 4.31Å; V80-V225 HydrophobicContact CG2-CB 4.35Å; V80-V225 HydrophobicContact CG2-CG2 4.45Å; R81-V225 PolarHBondContact N-O 3.05Å; V110-V225 HydrophobicContact CG1-CG1 4.18Å; V202-V225 HydrophobicContact CG1-CG1 3.56Å; V203-V225 CarbonylContact O-C 3.55Å; V203-V225 WeakPolarHBondContact O-CA 3.49Å; Y204-V225 HydrophobicContact CD1-CB 4.36Å; Y204-V225 HydrophobicContact CD1-CG1 4.08Å; Y204-V225 HydrophobicContact CD1-CG2 3.53Å; Y204-V225 HydrophobicContact CE1-CB 4.35Å; Y204-V225 HydrophobicContact CE1-CG1 3.82Å; Y204-V225 HydrophobicContact CE1-CG2 3.58Å; V223-V225 HydrophobicContact CG1-CG2 4.17Å
226Q98.4Very high96.7Very high23 Ų2339.7 Ų39.711%0.10725%0.248CC..EExtended strand (participates in β ladder)trans-116.3119.2178-178.664.162.200109.2R81 D82 V203 L228 T255 I259R81-Q226 VanDerWaalsContact CB-OE1 3.31Å; D82-Q226 PolarHBondContact OD2-NE2 2.94Å; V203-Q226 PolarHBondContact N-O 3.43Å; V203-Q226 PolarHBondContact O-N 3.19Å; Q226-L228 HydrophobicContact CG-CD2 3.8Å; Q226-T255 HydrophobicContact CB-CG2 3.86Å; Q226-T255 HydrophobicContact CG-CG2 3.72Å; Q226-I259 HydrophobicContact CB-CD1 4.29Å
227V98.6Very high96.8Very high0 Ų040.4 Ų40.40%026%0.257CS..EExtended strand (participates in β ladder)trans-88.1125.9169.6-171.80000108.3R81 D82 R85 L86 V200 V202R81-V227 PolarHBondContact O-N 3.4Å; D82-V227 HydrophobicContact CB-CB 4.41Å; D82-V227 WeakPolarHBondContact O-CB 3.32Å; R85-V227 HydrophobicContact CB-CG1 3.78Å; L86-V227 HydrophobicContact CD1-CG2 3.8Å; L86-V227 HydrophobicContact CD2-CG1 4.21Å; L86-V227 HydrophobicContact CG-CG1 3.9Å; L86-V227 HydrophobicContact CG-CG2 3.95Å; V200-V227 HydrophobicContact CG1-CG1 3.75Å; V202-V227 HydrophobicContact CG2-CG1 4.33Å; V202-V227 HydrophobicContact CG2-CG2 4.35Å
228L98.4Very high96.8Very high26 Ų2643.4 Ų43.414%0.13627%0.27CS..PPolyproline II helixtrans-91.9168.6179.5-60.9-173.2000111.5P201 V203 Q226 A251 M252 T255P201-L228 HydrophobicContact CB-CB 4.01Å; P201-L228 HydrophobicContact CB-CD1 4.05Å; P201-L228 HydrophobicContact CB-CG 4.3Å; P201-L228 HydrophobicContact CG-CB 4.03Å; P201-L228 HydrophobicContact CG-CD1 4.45Å; P201-L228 PolarHBondContact O-N 3.36Å; V203-L228 HydrophobicContact CG2-CD1 4.09Å; V203-L228 HydrophobicContact CG2-CG 4.36Å; Q226-L228 HydrophobicContact CG-CD2 3.8Å; L228-A251 HydrophobicContact CD1-CB 4.16Å; L228-M252 HydrophobicContact CD1-CG 4.4Å; L228-T255 HydrophobicContact CD2-CG2 4.06Å
229E97.6Very high96.9Very high122 Ų12247.1 Ų47.157%0.5730%0.302SS*.PPolyproline II helixtrans-58.8144.1173.7-75.3-62.7163.600110.7R85 P201 I231R85-E229 VanDerWaalsContact CZ-CD 3.49Å; R85-E229 IonicContact CZ-OE1 2.95Å; R85-E229 IonicContact NE-OE1 3.76Å; R85-E229 IonicContact NH1-OE1 3.33Å; R85-E229 PolarHBondContact NH1-OE1 2.81Å; R85-E229 IonicContact NH2-OE1 2.8Å; R85-E229 PolarHBondContact NH2-OE1 3.34Å; P201-E229 WeakPolarHBondContact CD-O 3.19Å; E229-I231 PolarHBondContact O-N 3.16Å
230A97.9Very high97.1Very high41 Ų4147.4 Ų47.434%0.33930%0.301SS..PPolyproline II helixtrans-67.7130.7175.900000109.8P198 I199 V200 P232P198-A230 HydrophobicContact CB-CB 4.16Å; I199-A230 CarbonylContact O-C 3.55Å; I199-A230 WeakPolarHBondContact O-CA 3.44Å; V200-A230 HydrophobicContact CG2-CB 4.08Å; A230-P232 WeakPolarHBondContact O-CD 2.99Å
231I98.1Very high97.3Very high30 Ų3043.5 Ų43.515%0.15427%0.274CS..BIsolated β-bridgetrans-90.7113.9175.6-51.8173.7000107.4P198 I199 P201 E229 L244 C248P198-I231 WeakPolarHBondContact CA-O 3.33Å; I199-I231 HydrophobicContact CB-CB 4.45Å; I199-I231 PolarHBondContact N-O 2.86Å; I199-I231 PolarHBondContact O-N 2.95Å; P201-I231 HydrophobicContact CG-CD1 4.08Å; P201-I231 HydrophobicContact CG-CG1 4.42Å; E229-I231 PolarHBondContact O-N 3.16Å; I231-L244 HydrophobicContact CB-CD1 4.49Å; I231-L244 HydrophobicContact CG2-CD1 3.49Å; I231-L244 VanDerWaalsContact CG2-CD1 3.49Å; I231-C248 HydrophobicContact CD1-CB 3.71Å
232P97.4Very high97.5Very high96 Ų9646.1 Ų46.162%0.62329%0.29SS*.  trans-69.1146.4-179.129-34.5000111A230A230-P232 WeakPolarHBondContact O-CD 2.99Å
233T97.8Very high97.6Very high1 Ų148.6 Ų48.61%0.00631%0.312CS..  trans-120.30.1175.860.70000113A192 V193 Q196 V197 I199 G235 L236 L244A192-T233 HydrophobicContact CB-CG2 4.03Å; A192-T233 PolarHBondContact O-OG1 3.39Å; V193-T233 HydrophobicContact CG2-CG2 4.4Å; Q196-T233 PolarHBondContact OE1-O 2.95Å; V197-T233 PolarHBondContact N-OG1 2.99Å; V197-T233 WeakPolarHBondContact O-CG2 3.28Å; V197-T233 PolarHBondContact O-OG1 3.36Å; I199-T233 HydrophobicContact CD1-CG2 4.48Å; I199-T233 HydrophobicContact CG1-CG2 4.25Å; T233-G235 PolarHBondContact O-N 3.1Å; T233-L236 VanDerWaalsContact O-CB 3.3Å; T233-L236 WeakPolarHBondContact O-CB 3.4Å; T233-L236 PolarHBondContact O-N 2.97Å; T233-L244 HydrophobicContact CG2-CD2 4.06Å
234S96.6Very high97.8Very high104 Ų10449 Ų4973%0.72731%0.314SS*.THydrogen-bonded Turntrans-58.6125.4179.6-172.40000110.5L236S234-L236 PolarHBondContact O-N 3.24Å
235G97.4Very high97.8Very high62 Ų6248.8 Ų48.864%0.63931%0.313SS*.THydrogen-bonded Turntrans78.8-5-177.700000115T233T233-G235 PolarHBondContact O-N 3.1Å
236L97.9Very high97.8Very high51 Ų5153.6 Ų53.627%0.26734%0.338SS..  trans-75151.6173.6-59.5-171000110.9V193 Q196 T233 S234 D240 L244V193-L236 WeakPolarHBondContact CG1-O 3.38Å; V193-L236 HydrophobicContact CG2-CB 4.24Å; Q196-L236 PolarHBondContact NE2-O 3.4Å; T233-L236 VanDerWaalsContact O-CB 3.3Å; T233-L236 WeakPolarHBondContact O-CB 3.4Å; T233-L236 PolarHBondContact O-N 2.97Å; S234-L236 PolarHBondContact O-N 3.24Å; L236-D240 HydrophobicContact CB-CB 4.17Å; L236-D240 HydrophobicContact CD1-CB 4.49Å; L236-D240 HydrophobicContact CD2-CB 4.16Å; L236-L244 HydrophobicContact CD1-CD1 4.27Å; L236-L244 HydrophobicContact CD1-CD2 4.26Å
237T97.4Very high97.8Very high76 Ų7655.6 Ų55.647%0.46635%0.352SS..  trans-118.6174.3178.169.60000111.2A239 D240T237-A239 PolarHBondContact O-N 2.88Å; T237-A239 VanDerWaalsContact O-N 3.14Å; T237-A239 PolarHBondContact OG1-N 2.88Å; T237-D240 PolarHBondContact N-OD2 2.95Å; T237-D240 WeakPolarHBondContact O-CB 3.18Å; T237-D240 PolarHBondContact O-N 3.29Å; T237-D240 PolarHBondContact OG1-OD2 3.41Å
238E94.9Very high97.8Very high107 Ų10755.6 Ų55.650%0.535%0.352SS..G310 helixtrans-57.9-26.6176-67.1-163.8172.200113.5Y190 Q194 D240 V241Y190-E238 HydrophobicContact CD1-CG 4.08Å; Y190-E238 HydrophobicContact CE1-CB 3.91Å; Y190-E238 HydrophobicContact CE1-CG 3.86Å; Q194-E238 PolarHBondContact NE2-OE1 3.33Å; E238-D240 PolarHBondContact O-N 3.46Å; E238-V241 WeakPolarHBondContact O-CB 3.44Å; E238-V241 PolarHBondContact O-N 3.38Å
239A97.4Very high97.8Very high84 Ų8456 Ų5669%0.69435%0.353SS*.G310 helixtrans-66.5-25.7176.400000112.7T237 P242T237-A239 PolarHBondContact O-N 2.88Å; T237-A239 VanDerWaalsContact O-N 3.14Å; T237-A239 PolarHBondContact OG1-N 2.88Å; A239-P242 WeakPolarHBondContact O-CD 3.4Å
240D98.2Very high97.9Very high61 Ų6157.7 Ų57.733%0.32635%0.354SS..G310 helixtrans-85.8-14.6-177.6-56.3-65.2000112.8L236 T237 E238 P242 A243 L244L236-D240 HydrophobicContact CB-CB 4.17Å; L236-D240 HydrophobicContact CD1-CB 4.49Å; L236-D240 HydrophobicContact CD2-CB 4.16Å; T237-D240 PolarHBondContact N-OD2 2.95Å; T237-D240 WeakPolarHBondContact O-CB 3.18Å; T237-D240 PolarHBondContact O-N 3.29Å; T237-D240 PolarHBondContact OG1-OD2 3.41Å; E238-D240 PolarHBondContact O-N 3.46Å; D240-P242 VanDerWaalsContact C-CD 3.48Å; D240-A243 PolarHBondContact O-N 2.91Å; D240-A243 VanDerWaalsContact O-N 3.12Å; D240-L244 PolarHBondContact O-N 3.22Å
241V97.9Very high97.9Very high0 Ų057.6 Ų57.60%035%0.354CS..Hα-helixtrans-53.8-43.8-176.2170.60000113.3K186 F189 Y190 V193 E238 A243 L244 V245K186-V241 HydrophobicContact CB-CG1 4.11Å; K186-V241 HydrophobicContact CD-CG1 4.34Å; K186-V241 HydrophobicContact CG-CG1 4.38Å; F189-V241 HydrophobicContact CB-CG1 3.91Å; Y190-V241 HydrophobicContact CD1-CG2 3.96Å; Y190-V241 HydrophobicContact CD2-CG1 4.06Å; Y190-V241 HydrophobicContact CE1-CB 4.43Å; Y190-V241 HydrophobicContact CE1-CG2 3.99Å; Y190-V241 HydrophobicContact CE2-CG1 3.9Å; Y190-V241 HydrophobicContact CG-CG1 4.43Å; Y190-V241 HydrophobicContact CG-CG2 4.33Å; V193-V241 HydrophobicContact CB-CG2 4.37Å; V193-V241 HydrophobicContact CG2-CG2 3.99Å; E238-V241 WeakPolarHBondContact O-CB 3.44Å; E238-V241 PolarHBondContact O-N 3.38Å; V241-A243 PolarHBondContact O-N 3.27Å; V241-L244 PolarHBondContact O-N 3.16Å; V241-V245 HydrophobicContact CG1-CG2 4.21Å; V241-V245 WeakPolarHBondContact O-CG2 3.14Å; V241-V245 PolarHBondContact O-N 3.28Å
242P98.3Very high97.9Very high60 Ų6056.2 Ų56.239%0.3935%0.346SS..Hα-helixtrans-58.2-45.4176.8-24.435.5000113.3A239 D240 L244 V245 D246A239-P242 WeakPolarHBondContact O-CD 3.4Å; D240-P242 VanDerWaalsContact C-CD 3.48Å; P242-L244 VanDerWaalsContact C-N 3.35Å; P242-V245 PolarHBondContact O-N 3.04Å; P242-D246 PolarHBondContact O-N 3.17Å; P242-D246 VanDerWaalsContact O-N 3.13Å
243A98.2Very high98Very high61 Ų6156.3 Ų56.350%0.50433%0.334SS..Hα-helixtrans-68.4-36179.300000112D240 V241 D246 T247D240-A243 PolarHBondContact O-N 2.91Å; D240-A243 VanDerWaalsContact O-N 3.12Å; V241-A243 PolarHBondContact O-N 3.27Å; A243-D246 PolarHBondContact O-N 2.9Å; A243-T247 WeakPolarHBondContact O-CB 3.49Å; A243-T247 PolarHBondContact O-N 3.16Å; A243-T247 PolarHBondContact O-OG1 3.1Å
244L98.4Very high98Very high10 Ų1060.8 Ų60.85%0.05236%0.362CS..Hα-helixtrans-64.2-43.3175.6-175.764.2000111.8F189 V193 I199 I231 T233 L236 D240 V241 P242 T247 C248F189-L244 HydrophobicContact CB-CD2 4.36Å; F189-L244 HydrophobicContact CD1-CD2 4.07Å; F189-L244 HydrophobicContact CD1-CG 3.88Å; V193-L244 HydrophobicContact CG2-CD2 3.82Å; I199-L244 HydrophobicContact CD1-CD2 3.76Å; I199-L244 HydrophobicContact CD1-CG 4.16Å; I231-L244 HydrophobicContact CB-CD1 4.49Å; I231-L244 HydrophobicContact CG2-CD1 3.49Å; I231-L244 VanDerWaalsContact CG2-CD1 3.49Å; T233-L244 HydrophobicContact CG2-CD2 4.06Å; L236-L244 HydrophobicContact CD1-CD1 4.27Å; L236-L244 HydrophobicContact CD1-CD2 4.26Å; D240-L244 PolarHBondContact O-N 3.22Å; V241-L244 PolarHBondContact O-N 3.16Å; P242-L244 VanDerWaalsContact C-N 3.35Å; L244-T247 PolarHBondContact O-N 3.35Å; L244-C248 WeakPolarHBondContact O-CB 3.47Å; L244-C248 PolarHBondContact O-N 3.37Å
245V98.6Very high98.1Very high10 Ų1057 Ų576%0.06134%0.335CS..Hα-helixtrans-58.5-50.9174.7170.10000110.6F184 K186 F189 V241 P242 T247 C248 H249F184-V245 HydrophobicContact CB-CG1 3.94Å; K186-V245 HydrophobicContact CG-CG2 4.3Å; F189-V245 HydrophobicContact CB-CG2 3.97Å; F189-V245 HydrophobicContact CD1-CG2 3.95Å; F189-V245 HydrophobicContact CD2-CG2 3.44Å; F189-V245 VanDerWaalsContact CD2-CG2 3.44Å; F189-V245 HydrophobicContact CE1-CG2 4.33Å; F189-V245 HydrophobicContact CE2-CG2 3.86Å; F189-V245 HydrophobicContact CG-CG2 3.48Å; F189-V245 VanDerWaalsContact CG-CG2 3.48Å; F189-V245 HydrophobicContact CZ-CG2 4.29Å; V241-V245 HydrophobicContact CG1-CG2 4.21Å; V241-V245 WeakPolarHBondContact O-CG2 3.14Å; V241-V245 PolarHBondContact O-N 3.28Å; P242-V245 PolarHBondContact O-N 3.04Å; V245-T247 VanDerWaalsContact C-N 3.33Å; V245-T247 PolarHBondContact O-N 3.48Å; V245-C248 PolarHBondContact O-N 3.24Å; V245-H249 VanDerWaalsContact O-CB 3.26Å; V245-H249 WeakPolarHBondContact O-CB 3.36Å; V245-H249 PolarHBondContact O-N 3.1Å
246D98.4Very high98.1Very high101 Ų10154.4 Ų54.454%0.5431%0.306SS..Hα-helixtrans-63.9-38.9-178.2-86.312.6000112.4P242 A243 R250P242-D246 PolarHBondContact O-N 3.17Å; P242-D246 VanDerWaalsContact O-N 3.13Å; A243-D246 PolarHBondContact O-N 2.9Å; D246-R250 WeakPolarHBondContact O-CB 3.33Å; D246-R250 VanDerWaalsContact O-CG 3.25Å; D246-R250 WeakPolarHBondContact O-CG 3.05Å; D246-R250 PolarHBondContact O-N 3.28Å; D246-R250 PolarHBondContact O-NE 2.95Å
247T98.4Very high98.1Very high64 Ų6454.5 Ų54.539%0.39331%0.306SS..Hα-helixtrans-64.2-49.1177-61.90000111A243 L244 V245 R250 A251A243-T247 WeakPolarHBondContact O-CB 3.49Å; A243-T247 PolarHBondContact O-N 3.16Å; A243-T247 PolarHBondContact O-OG1 3.1Å; L244-T247 PolarHBondContact O-N 3.35Å; V245-T247 VanDerWaalsContact C-N 3.33Å; V245-T247 PolarHBondContact O-N 3.48Å; T247-R250 PolarHBondContact O-N 3.38Å; T247-A251 WeakPolarHBondContact O-CB 3.33Å; T247-A251 PolarHBondContact O-N 2.98Å; T247-A251 VanDerWaalsContact O-N 3.09Å
248C98.8Very high98Very high0 Ų056.6 Ų56.60%031%0.31CS..Hα-helixtrans-63.4-46.4177.6-175.80000111.9F189 I231 L244 V245 R250 A251 M252F189-C248 HydrophobicContact CE1-CB 3.55Å; F189-C248 HydrophobicContact CZ-CB 3.94Å; I231-C248 HydrophobicContact CD1-CB 3.71Å; L244-C248 WeakPolarHBondContact O-CB 3.47Å; L244-C248 PolarHBondContact O-N 3.37Å; V245-C248 PolarHBondContact O-N 3.24Å; C248-R250 PolarHBondContact O-N 3.09Å; C248-A251 PolarHBondContact O-N 3.39Å; C248-M252 WeakPolarHBondContact O-CB 3.32Å; C248-M252 WeakPolarHBondContact O-CG 3.4Å; C248-M252 PolarHBondContact O-N 2.88Å
249H98.8Very high98.1Very high36 Ų3651.7 Ų51.717%0.16729%0.288CS..Hα-helixtrans-59.9-46.2178.8179.5-92.8000111.8L182 F184 V245 A251 M252 R253L182-H249 PolarHBondContact O-NE2 3.48Å; F184-H249 AromaticContact CD1-CD2 3.77Å; F184-H249 HydrophobicContact CD2-CB 3.8Å; F184-H249 AromaticContact CE1-CD2 3.75Å; F184-H249 HydrophobicContact CE2-CB 3.91Å; F184-H249 HydrophobicContact CG-CB 4.35Å; F184-H249 AromaticContact CG-CD2 3.96Å; F184-H249 AromaticContact CZ-CD2 3.93Å; V245-H249 VanDerWaalsContact O-CB 3.26Å; V245-H249 WeakPolarHBondContact O-CB 3.36Å; V245-H249 PolarHBondContact O-N 3.1Å; H249-A251 PolarHBondContact O-N 3.5Å; H249-M252 PolarHBondContact O-N 2.96Å; H249-R253 WeakPolarHBondContact O-CB 3.45Å; H249-R253 PolarHBondContact O-N 3.37Å
250R98.6Very high98Very high156 Ų15649.4 Ų49.459%0.58927%0.267SS*.Hα-helixtrans-61.7-44.1177.3-75.9-175.9-62.5165.31.6112.3D246 T247 C248 T254D246-R250 WeakPolarHBondContact O-CB 3.33Å; D246-R250 VanDerWaalsContact O-CG 3.25Å; D246-R250 WeakPolarHBondContact O-CG 3.05Å; D246-R250 PolarHBondContact O-N 3.28Å; D246-R250 PolarHBondContact O-NE 2.95Å; T247-R250 PolarHBondContact O-N 3.38Å; C248-R250 PolarHBondContact O-N 3.09Å; R250-T254 VanDerWaalsContact O-CB 3.32Å; R250-T254 WeakPolarHBondContact O-CB 3.25Å; R250-T254 PolarHBondContact O-N 2.89Å; R250-T254 PolarHBondContact O-OG1 3.41Å
251A98.7Very high97.2Very high40 Ų4054.5 Ų54.533%0.33129%0.286SS..Hα-helixtrans-62.5-47.317800000111.6L228 T247 C248 H249 T255L228-A251 HydrophobicContact CD1-CB 4.16Å; T247-A251 WeakPolarHBondContact O-CB 3.33Å; T247-A251 PolarHBondContact O-N 2.98Å; T247-A251 VanDerWaalsContact O-N 3.09Å; C248-A251 PolarHBondContact O-N 3.39Å; H249-A251 PolarHBondContact O-N 3.5Å; A251-T255 WeakPolarHBondContact O-CB 3.35Å; A251-T255 PolarHBondContact O-N 3.25Å; A251-T255 VanDerWaalsContact O-N 3.09Å; A251-T255 PolarHBondContact O-OG1 3.42Å
252M98.8Very high95.6Very high0 Ų057.5 Ų57.50%030%0.304CS..Hα-helixtrans-64.7-45.1178.2-71.3-177.370.600112.3V95 L181 F184 P201 V203 L228 C248 H249 T255 F256V95-M252 HydrophobicContact CG2-SD 3.85Å; L181-M252 HydrophobicContact CD1-CB 3.75Å; F184-M252 HydrophobicContact CE2-SD 3.5Å; F184-M252 WeakPolarHBondContact CE2-SD 3.26Å; F184-M252 HydrophobicContact CZ-CB 4.32Å; F184-M252 HydrophobicContact CZ-CE 3.96Å; F184-M252 HydrophobicContact CZ-SD 3.5Å; F184-M252 WeakPolarHBondContact CZ-SD 3.49Å; P201-M252 HydrophobicContact CB-CG 3.61Å; P201-M252 HydrophobicContact CB-SD 3.87Å; V203-M252 HydrophobicContact CG2-CB 4Å; V203-M252 HydrophobicContact CG2-CE 4.27Å; V203-M252 HydrophobicContact CG2-CG 3.92Å; L228-M252 HydrophobicContact CD1-CG 4.4Å; C248-M252 WeakPolarHBondContact O-CB 3.32Å; C248-M252 WeakPolarHBondContact O-CG 3.4Å; C248-M252 PolarHBondContact O-N 2.88Å; H249-M252 PolarHBondContact O-N 2.96Å; M252-T255 PolarHBondContact O-N 3.05Å; M252-F256 VanDerWaalsContact O-CB 3.31Å; M252-F256 WeakPolarHBondContact O-CB 3.3Å; M252-F256 PolarHBondContact O-N 3.29Å
253R98.3Very high93.4Very high98 Ų9860.1 Ų60.137%0.3732%0.321SS..Hα-helixtrans-63.8-45.1-180-176.8174.8179.2-980.6111.9D180 L181 H249 T255 F256 L257D180-R253 WeakPolarHBondContact OD1-CD 3.39Å; D180-R253 WeakPolarHBondContact OD1-CG 3.5Å; D180-R253 IonicContact OD1-CZ 2.75Å; D180-R253 IonicContact OD1-NE 2.67Å; D180-R253 PolarHBondContact OD1-NE 3.33Å; D180-R253 IonicContact OD1-NH2 3.61Å; D180-R253 IonicContact OD2-CZ 3.94Å; D180-R253 IonicContact OD2-NE 3.4Å; D180-R253 PolarHBondContact OD2-NE 3.14Å; D180-R253 IonicContact OD2-NH2 2.85Å; D180-R253 PolarHBondContact OD2-NH2 3.36Å; L181-R253 HydrophobicContact CD1-CB 4Å; L181-R253 HydrophobicContact CG-CB 4.35Å; H249-R253 WeakPolarHBondContact O-CB 3.45Å; H249-R253 PolarHBondContact O-N 3.37Å; R253-T255 VanDerWaalsContact C-N 3.31Å; R253-T255 PolarHBondContact O-N 3.29Å; R253-F256 PolarHBondContact O-N 2.9Å; R253-L257 HydrophobicContact CG-CD1 4.21Å; R253-L257 WeakPolarHBondContact O-CG 3.36Å; R253-L257 PolarHBondContact O-N 3.04Å
254T98.3Very high91.3Very high96 Ų9659.2 Ų59.259%0.58931%0.307SS*.Hα-helixtrans-58.4-47176.6-58.30000110.6R250 L257 H258R250-T254 VanDerWaalsContact O-CB 3.32Å; R250-T254 WeakPolarHBondContact O-CB 3.25Å; R250-T254 PolarHBondContact O-N 2.89Å; R250-T254 PolarHBondContact O-OG1 3.41Å; T254-L257 PolarHBondContact O-N 3.3Å; T254-H258 WeakPolarHBondContact O-CB 3.38Å; T254-H258 PolarHBondContact O-N 2.85Å; T254-H258 VanDerWaalsContact O-N 3.08Å
255T98.4Very high88.6Confident25 Ų2566 Ų6615%0.15334%0.338CS..Hα-helixtrans-61.8-46.8176.3-57.20000111.4V203 Q226 L228 A251 M252 R253 L257 H258 I259V203-T255 HydrophobicContact CB-CG2 3.95Å; V203-T255 HydrophobicContact CG1-CG2 4.14Å; V203-T255 HydrophobicContact CG2-CG2 4.04Å; Q226-T255 HydrophobicContact CB-CG2 3.86Å; Q226-T255 HydrophobicContact CG-CG2 3.72Å; L228-T255 HydrophobicContact CD2-CG2 4.06Å; A251-T255 WeakPolarHBondContact O-CB 3.35Å; A251-T255 PolarHBondContact O-N 3.25Å; A251-T255 VanDerWaalsContact O-N 3.09Å; A251-T255 PolarHBondContact O-OG1 3.42Å; M252-T255 PolarHBondContact O-N 3.05Å; R253-T255 VanDerWaalsContact C-N 3.31Å; R253-T255 PolarHBondContact O-N 3.29Å; T255-L257 PolarHBondContact O-N 3.13Å; T255-H258 WeakPolarHBondContact O-CB 3.38Å; T255-H258 PolarHBondContact O-N 3.37Å; T255-H258 VanDerWaalsContact O-N 3.12Å; T255-I259 HydrophobicContact CG2-CD1 4.43Å; T255-I259 HydrophobicContact CG2-CG2 4.17Å; T255-I259 WeakPolarHBondContact O-CG1 3.25Å; T255-I259 PolarHBondContact O-N 2.99Å
256F98.1Very high86Confident6 Ų671 Ų713%0.02636%0.364CS..Hα-helixtrans-57-48.4-179.5175.7-99000111.4L181 V203 Y204 M252 R253 H258 S260L181-F256 HydrophobicContact CD2-CB 4.41Å; L181-F256 HydrophobicContact CD2-CD1 4.42Å; L181-F256 HydrophobicContact CD2-CD2 4.27Å; L181-F256 HydrophobicContact CD2-CG 4.1Å; L181-F256 HydrophobicContact CG-CB 4.49Å; V203-F256 HydrophobicContact CG1-CB 3.72Å; V203-F256 HydrophobicContact CG1-CD2 4.29Å; Y204-F256 VanDerWaalsContact O-CD2 3.24Å; Y204-F256 WeakPolarHBondContact O-CD2 3.36Å; Y204-F256 WeakPolarHBondContact O-CE2 3.31Å; M252-F256 VanDerWaalsContact O-CB 3.31Å; M252-F256 WeakPolarHBondContact O-CB 3.3Å; M252-F256 PolarHBondContact O-N 3.29Å; R253-F256 PolarHBondContact O-N 2.9Å; F256-H258 VanDerWaalsContact C-N 3.31Å; F256-H258 PolarHBondContact O-N 2.88Å; F256-S260 WeakPolarHBondContact O-CB 3.45Å; F256-S260 PolarHBondContact O-N 2.87Å; F256-S260 PolarHBondContact O-OG 3.43Å
257L96.8Very high83.3Confident53 Ų5369.6 Ų69.628%0.27737%0.374SS..Hα-helixtrans-65-35.4178.4-66.6174.7000112.1R253 T254 T255 K261R253-L257 HydrophobicContact CG-CD1 4.21Å; R253-L257 WeakPolarHBondContact O-CG 3.36Å; R253-L257 PolarHBondContact O-N 3.04Å; T254-L257 PolarHBondContact O-N 3.3Å; T255-L257 PolarHBondContact O-N 3.13Å; L257-K261 WeakPolarHBondContact O-CD 3.12Å; L257-K261 VanDerWaalsContact O-CG 3.23Å; L257-K261 WeakPolarHBondContact O-CG 3.28Å; L257-K261 PolarHBondContact O-N 2.95Å
258H96.8Very high80.3Confident120 Ų12070.7 Ų70.756%0.55639%0.389SS*.Hα-helixtrans-68.7-54.3177178.871.7000112T254 T255 F256 S260 K261 T262T254-H258 WeakPolarHBondContact O-CB 3.38Å; T254-H258 PolarHBondContact O-N 2.85Å; T254-H258 VanDerWaalsContact O-N 3.08Å; T255-H258 WeakPolarHBondContact O-CB 3.38Å; T255-H258 PolarHBondContact O-N 3.37Å; T255-H258 VanDerWaalsContact O-N 3.12Å; F256-H258 VanDerWaalsContact C-N 3.31Å; F256-H258 PolarHBondContact O-N 2.88Å; H258-S260 VanDerWaalsContact C-N 3.28Å; H258-S260 PolarHBondContact O-N 3.32Å; H258-K261 PolarHBondContact O-N 3.38Å; H258-T262 PolarHBondContact O-N 3.33Å; H258-T262 PolarHBondContact O-OG1 3.49Å
259I96.4Very high77.4Confident4 Ų477 Ų772%0.02143%0.428CS..Hα-helixtrans-73-20.2-17671.1177.7000113V203 T224 Q226 T255V203-I259 HydrophobicContact CB-CD1 4.32Å; V203-I259 HydrophobicContact CG1-CD1 3.96Å; T224-I259 HydrophobicContact CG2-CB 4.28Å; T224-I259 HydrophobicContact CG2-CG2 4.48Å; Q226-I259 HydrophobicContact CB-CD1 4.29Å; T255-I259 HydrophobicContact CG2-CD1 4.43Å; T255-I259 HydrophobicContact CG2-CG2 4.17Å; T255-I259 WeakPolarHBondContact O-CG1 3.25Å; T255-I259 PolarHBondContact O-N 2.99Å
260S94.4Very high74.4Confident37 Ų3780.1 Ų80.126%0.25946%0.46SS..Hα-helixtrans-83.7-19.5176.4-570000113.7S206 F256 H258S206-S260 PolarHBondContact N-OG 2.9Å; F256-S260 WeakPolarHBondContact O-CB 3.45Å; F256-S260 PolarHBondContact O-N 2.87Å; F256-S260 PolarHBondContact O-OG 3.43Å; H258-S260 VanDerWaalsContact C-N 3.28Å; H258-S260 PolarHBondContact O-N 3.32Å
261K82.5Confident71.3Confident168 Ų16875.4 Ų75.473%0.7346%0.46SS*.Hα-helixtrans-90.5-20.5177.1-74.8178-177.4-176.30113.5L257 H258 P263L257-K261 WeakPolarHBondContact O-CD 3.12Å; L257-K261 VanDerWaalsContact O-CG 3.23Å; L257-K261 WeakPolarHBondContact O-CG 3.28Å; L257-K261 PolarHBondContact O-N 2.95Å; H258-K261 PolarHBondContact O-N 3.38Å; K261-P263 WeakPolarHBondContact O-CD 3.38Å
262T64.3Low68.4Low62 Ų6279.7 Ų79.738%0.3848%0.484SS..SBendtrans-64122.4178.4-540000108.6H258 Q264H258-T262 PolarHBondContact O-N 3.33Å; H258-T262 PolarHBondContact O-OG1 3.49Å; T262-Q264 PolarHBondContact O-N 2.92Å
263P51.3Low65.3Low115 Ų11583.2 Ų83.275%0.74752%0.521SS*.  trans-53.4119.2177.4-2432.8000109.5K261 E265K261-P263 WeakPolarHBondContact O-CD 3.38Å; P263-E265 PolarHBondContact O-N 3.31Å; P263-E265 VanDerWaalsContact O-N 3.16Å
264Q53.4Low62.5Low43 Ų4385.3 Ų85.320%0.20154%0.544CS..  trans-70.2113.5173.2-66.6175.20.900106T222 T262 N266T222-Q264 PolarHBondContact O-NE2 2.91Å; T222-Q264 PolarHBondContact O-OE1 2.92Å; T222-Q264 VanDerWaalsContact O-OE1 3.09Å; T262-Q264 PolarHBondContact O-N 2.92Å; Q264-N266 PolarHBondContact O-N 2.94Å
265E43.3Very low59.5Low153 Ų15389.1 Ų89.172%0.71556%0.555SS**  trans-59.288.3165.5-73.3176.6162.700107.7K79 P263 G267K79-E265 IonicContact NZ-OE2 2.72Å; P263-E265 PolarHBondContact O-N 3.31Å; P263-E265 VanDerWaalsContact O-N 3.16Å; E265-G267 PolarHBondContact O-N 2.88Å
266N42.9Very low56.5Low114 Ų11493.6 Ų93.661%0.6159%0.585SS**  trans-63.9119.8166.6-69.6-24.4000104.9Q264 A268Q264-N266 PolarHBondContact O-N 2.94Å; N266-A268 PolarHBondContact O-N 3.4Å
267G41.6Very low53.8Low72 Ų7298.2 Ų98.274%0.74262%0.624SS**  trans-64.275.2172.100000109.8E265 T269E265-G267 PolarHBondContact O-N 2.88Å; G267-T269 PolarHBondContact O-N 3.46Å
268A36.5Very low51.4Low86 Ų86108.5 Ų108.571%0.71167%0.67SS**  trans-63.4118.1156.100000105.1N266 A270N266-A268 PolarHBondContact O-N 3.4Å; A268-A270 PolarHBondContact O-N 2.94Å
269T36.9Very low49.1Very low134 Ų134107.9 Ų107.982%0.82268%0.676SS**  trans-42.4115.8164.639.50000108.4G267 G271G267-T269 PolarHBondContact O-N 3.46Å; T269-G271 PolarHBondContact O-N 3.12Å
270A35.2Very low46.6Very low101 Ų101113.4 Ų113.484%0.83571%0.71SS**  trans-54.1113.2170.100000107.3A268A268-A270 PolarHBondContact O-N 2.94Å
271G34.3Very low44Very low56 Ų56117.6 Ų117.658%0.57774%0.736SS**PPolyproline II helixtrans-59.4152.7166.900000109.2T269 G273T269-G271 PolarHBondContact O-N 3.12Å; G271-G273 PolarHBondContact O-N 3.35Å
272P37.5Very low41.7Very low131 Ų131114.6 Ų114.685%0.85174%0.736SS**PPolyproline II helixtrans-58.5119.5-17623.8-30.8000109.3V274P272-V274 PolarHBondContact O-N 3.39Å
273G34Very low40.3Very low74 Ų74117.9 Ų117.976%0.76376%0.758SS**PPolyproline II helixtrans-59.8124.2178.800000110.3G271 Q275G271-G273 PolarHBondContact O-N 3.35Å; G273-Q275 PolarHBondContact O-N 3.39Å
274V39.1Very low39.6Very low142 Ų142118.1 Ų118.186%0.86176%0.759SS**  trans-69.7115.8163.8175.80000106.7P272P272-V274 PolarHBondContact O-N 3.39Å
275Q36.3Very low38.6Very low176 Ų176123.5 Ų123.582%0.82280%0.799SS**PPolyproline II helixtrans-62.5139.3169.8-84.4173-37.500109.9G273G273-Q275 PolarHBondContact O-N 3.39Å
276P34.9Very low38.2Very low119 Ų119121.2 Ų121.277%0.77381%0.805SS**PPolyproline II helixtrans-72.1131.6168.328.8-28.8000109.4
277A42Very low37.8Very low102 Ų102121.8 Ų121.884%0.84382%0.821SS**PPolyproline II helixtrans-61.2135.3173.100000110.5
278Q45.5Very low37.5Very low269 Ų269126.4 Ų126.4100%1.25783%0.829SS**  trans-75.30160.3-69.7-177.3-20.200109.9

Retrieved 278 of 278 residues in 2029.6 ms (Link to these results)

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