A0A087YKF4_POEFO Loading...

3'(2'),5'-bisphosphate nucleotidase 1

AlphaFold DB , UniProt , Accession A0A087YKF4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 309 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
1M39.1Very low83.3Confident243 Ų24363.2 Ų63.2100%1.19738%0.379SS*.  098.30-62.1-173.4-157.400106.6G3M1-G3 PolarHBondContact O-N 3.1Å; M1-G3 VanDerWaalsContact O-N 3.1Å
2S48.8Very low84.6Confident126 Ų12657.9 Ų57.988%0.88135%0.348SS*.  trans-74.299173.249.90000107.1
3G66.4Low85.7Confident61 Ų6153.5 Ų53.563%0.62932%0.321SS*.PPolyproline II helixtrans-55152.4170.200000110M1M1-G3 PolarHBondContact O-N 3.1Å; M1-G3 VanDerWaalsContact O-N 3.1Å
4N81.9Confident86.6Confident132 Ų13249.9 Ų49.971%0.70630%0.3SS*.PPolyproline II helixtrans-54.2130173.1-162.42.6000108.5
5P90.7Very high87.4Confident47 Ų4746.6 Ų46.631%0.30528%0.28SS..PPolyproline II helixtrans-54146.8-179.2-26.934.6000111.7M9 R10 L96P5-M9 HydrophobicContact CB-CB 4.47Å; P5-R10 HydrophobicContact CB-CG 4.08Å; P5-R10 WeakPolarHBondContact O-CD 3.3Å; P5-L96 HydrophobicContact CB-CD2 4.32Å; P5-L96 HydrophobicContact CG-CB 4.47Å; P5-L96 HydrophobicContact CG-CD2 4.32Å
6A96.6Very high88.1Confident21 Ų2145.9 Ų45.917%0.17427%0.271CS..PPolyproline II helixtrans-54.1151.2179.400000111.3V8 M9 R10 C100A6-V8 PolarHBondContact O-N 3.49Å; A6-V8 VanDerWaalsContact O-N 3.15Å; A6-M9 PolarHBondContact O-N 3.24Å; A6-R10 PolarHBondContact O-N 3.06Å; A6-C100 HydrophobicContact CB-CB 3.73Å
7V98.1Very high88.8Confident15 Ų1544.1 Ų44.19%0.09126%0.262CS..Hα-helixtrans-54.5-39.6-175.472.20000112.2M9 R10 L11 F66 L107 E109 L112V7-M9 PolarHBondContact O-N 3.12Å; V7-R10 PolarHBondContact O-N 3.25Å; V7-L11 WeakPolarHBondContact O-CB 3.47Å; V7-L11 PolarHBondContact O-N 3.06Å; V7-F66 HydrophobicContact CG2-CD1 4.45Å; V7-L107 HydrophobicContact CG1-CB 4.08Å; V7-L107 WeakPolarHBondContact CG1-O 3.41Å; V7-E109 HydrophobicContact CG2-CB 4.41Å; V7-E109 HydrophobicContact CG2-CG 3.36Å; V7-L112 HydrophobicContact CG1-CD1 4.11Å; V7-L112 HydrophobicContact CG2-CD1 4.5Å
8V98.4Very high89.3Confident0 Ų041.8 Ų41.80%025%0.248CC..Hα-helixtrans-61.5-47.3178.8175.30000110.8A6 R10 L11 V12 L107 L112 I146A6-V8 PolarHBondContact O-N 3.49Å; A6-V8 VanDerWaalsContact O-N 3.15Å; V8-R10 VanDerWaalsContact C-N 3.35Å; V8-R10 PolarHBondContact O-N 3.18Å; V8-L11 PolarHBondContact O-N 3.18Å; V8-V12 HydrophobicContact CG1-CG2 4.3Å; V8-V12 VanDerWaalsContact O-CG2 3.24Å; V8-V12 WeakPolarHBondContact O-CG2 3.41Å; V8-V12 PolarHBondContact O-N 3.28Å; V8-L107 HydrophobicContact CG2-CB 4.34Å; V8-L107 HydrophobicContact CG2-CD1 3.86Å; V8-L112 HydrophobicContact CG2-CD1 4.33Å; V8-L112 HydrophobicContact CG2-CD2 4.39Å; V8-I146 HydrophobicContact CG1-CD1 4.34Å; V8-I146 HydrophobicContact CG2-CD1 4.2Å
9M98.6Very high89.8Confident1 Ų139.6 Ų39.61%0.00524%0.235CC..Hα-helixtrans-66.4-37.8179.2-60.8-51.8-58.700111.9P5 A6 V7 A13 I95 K98 C100 V172 L175P5-M9 HydrophobicContact CB-CB 4.47Å; A6-M9 PolarHBondContact O-N 3.24Å; V7-M9 PolarHBondContact O-N 3.12Å; M9-A13 WeakPolarHBondContact O-CB 3.3Å; M9-A13 PolarHBondContact O-N 3.09Å; M9-I95 HydrophobicContact CE-CG2 3.76Å; M9-I95 VanDerWaalsContact CE-O 3.31Å; M9-I95 WeakPolarHBondContact CE-O 3.31Å; M9-K98 HydrophobicContact CE-CB 3.82Å; M9-C100 HydrophobicContact CG-CB 3.65Å; M9-C100 HydrophobicContact SD-CB 4.38Å; M9-V172 HydrophobicContact SD-CG2 4.47Å; M9-L175 HydrophobicContact CE-CD2 4.19Å
10R98.6Very high90.3Very high48 Ų4841.7 Ų41.718%0.18124%0.242CC..Hα-helixtrans-62.8-43.1172.9-70.5175.556.7-128.9-8.1111.5P5 A6 V7 V8 S14 F66 Q91 L96P5-R10 HydrophobicContact CB-CG 4.08Å; P5-R10 WeakPolarHBondContact O-CD 3.3Å; A6-R10 PolarHBondContact O-N 3.06Å; V7-R10 PolarHBondContact O-N 3.25Å; V8-R10 VanDerWaalsContact C-N 3.35Å; V8-R10 PolarHBondContact O-N 3.18Å; R10-S14 PolarHBondContact O-N 3.44Å; R10-S14 PolarHBondContact O-OG 3.24Å; R10-F66 HydrophobicContact CB-CE1 3.98Å; R10-F66 HydrophobicContact CB-CZ 4.01Å; R10-Q91 PolarHBondContact O-NE2 3.42Å; R10-L96 HydrophobicContact CG-CD2 4.17Å
11L98.8Very high90.7Very high1 Ų142.4 Ų42.41%0.00524%0.242CC..Hα-helixtrans-67.4-45.8-179.7-17961.2000111.4V7 V8 A13 S14 A15 L62 F66 V69 L112 V114 I139V7-L11 WeakPolarHBondContact O-CB 3.47Å; V7-L11 PolarHBondContact O-N 3.06Å; V8-L11 PolarHBondContact O-N 3.18Å; L11-A13 PolarHBondContact O-N 3.5Å; L11-S14 PolarHBondContact O-N 2.87Å; L11-A15 VanDerWaalsContact O-CB 3.28Å; L11-A15 WeakPolarHBondContact O-CB 3.18Å; L11-A15 PolarHBondContact O-N 3.36Å; L11-L62 HydrophobicContact CD1-CD2 4.14Å; L11-F66 HydrophobicContact CB-CE1 4.29Å; L11-F66 HydrophobicContact CB-CE2 4.44Å; L11-F66 HydrophobicContact CB-CZ 4.19Å; L11-F66 HydrophobicContact CD1-CD1 4.48Å; L11-F66 HydrophobicContact CD1-CD2 3.53Å; L11-F66 HydrophobicContact CD1-CE2 3.74Å; L11-F66 HydrophobicContact CD1-CG 3.93Å; L11-F66 HydrophobicContact CD1-CZ 4.31Å; L11-V69 HydrophobicContact CD2-CG2 4.39Å; L11-L112 HydrophobicContact CD2-CD1 3.75Å; L11-V114 HydrophobicContact CD2-CG2 4.01Å; L11-I139 HydrophobicContact CD2-CD1 4Å; L11-I139 HydrophobicContact CD2-CG1 4.12Å; L11-I139 HydrophobicContact CD2-CG2 3.88Å; L11-I139 HydrophobicContact CG-CD1 3.87Å; L11-I139 HydrophobicContact CG-CG1 4.4Å
12V98.9Very high93.5Very high0 Ų030.9 Ų30.90%019%0.185CC..Hα-helixtrans-61.5-44.2175.5176.80000110.8V8 S14 A15 Y16 I95 I139 A147 W170 V172V8-V12 HydrophobicContact CG1-CG2 4.3Å; V8-V12 VanDerWaalsContact O-CG2 3.24Å; V8-V12 WeakPolarHBondContact O-CG2 3.41Å; V8-V12 PolarHBondContact O-N 3.28Å; V12-S14 VanDerWaalsContact C-N 3.33Å; V12-S14 PolarHBondContact O-N 3.36Å; V12-A15 PolarHBondContact O-N 3.15Å; V12-Y16 PolarHBondContact O-N 2.96Å; V12-I95 HydrophobicContact CB-CG2 4.28Å; V12-I95 HydrophobicContact CG1-CD1 4.22Å; V12-I95 HydrophobicContact CG1-CG2 3.95Å; V12-I139 HydrophobicContact CB-CD1 4.47Å; V12-I139 HydrophobicContact CG2-CD1 3.58Å; V12-A147 HydrophobicContact CG2-CB 3.65Å; V12-W170 HydrophobicContact CG1-CE3 3.81Å; V12-W170 HydrophobicContact CG1-CZ3 4.35Å; V12-V172 HydrophobicContact CG1-CG2 4.27Å; V12-V172 HydrophobicContact CG2-CG2 3.97Å
13A98.8Very high95.9Very high0 Ų024.9 Ų24.90%014%0.143CC..Hα-helixtrans-62.5-38.6178.100000112.7M9 L11 Q91 A92 I95 L96M9-A13 WeakPolarHBondContact O-CB 3.3Å; M9-A13 PolarHBondContact O-N 3.09Å; L11-A13 PolarHBondContact O-N 3.5Å; A13-Q91 HydrophobicContact CB-CB 4.05Å; A13-Q91 WeakPolarHBondContact O-CA 3.47Å; A13-A92 PolarHBondContact O-N 2.94Å; A13-I95 HydrophobicContact CB-CB 3.91Å; A13-I95 HydrophobicContact CB-CG2 3.93Å; A13-L96 HydrophobicContact CB-CD2 3.56Å; A13-L96 HydrophobicContact CB-CG 3.74Å
14S98.8Very high97.4Very high4 Ų423.9 Ų23.93%0.02813%0.13CC..Hα-helixtrans-69.7-45172.2-75.90000112.4R10 L11 V12 Y16 S17 V18 R65 Q91R10-S14 PolarHBondContact O-N 3.44Å; R10-S14 PolarHBondContact O-OG 3.24Å; L11-S14 PolarHBondContact O-N 2.87Å; V12-S14 VanDerWaalsContact C-N 3.33Å; V12-S14 PolarHBondContact O-N 3.36Å; S14-Y16 PolarHBondContact O-N 3.03Å; S14-S17 PolarHBondContact O-N 3.49Å; S14-V18 VanDerWaalsContact O-CB 3.32Å; S14-V18 WeakPolarHBondContact O-CB 3.45Å; S14-V18 WeakPolarHBondContact O-CG2 3.21Å; S14-V18 PolarHBondContact O-N 3.03Å; S14-R65 WeakPolarHBondContact OG-CD 3.24Å; S14-Q91 VanDerWaalsContact OG-CG 3.3Å; S14-Q91 WeakPolarHBondContact OG-CG 3.19Å; S14-Q91 PolarHBondContact OG-NE2 3.09Å
15A98.9Very high98.2Very high0 Ų018.2 Ų18.20%010%0.099CC..Hα-helixtrans-59-35.9178.600000111.6L11 V12 A19 I137 V149L11-A15 VanDerWaalsContact O-CB 3.28Å; L11-A15 WeakPolarHBondContact O-CB 3.18Å; L11-A15 PolarHBondContact O-N 3.36Å; V12-A15 PolarHBondContact O-N 3.15Å; A15-A19 WeakPolarHBondContact O-CB 3.46Å; A15-A19 PolarHBondContact O-N 3.01Å; A15-I137 HydrophobicContact CB-CD1 4.35Å; A15-I137 HydrophobicContact CB-CG2 4.05Å; A15-V149 HydrophobicContact CB-CG2 3.87Å
16Y98.9Very high98.5Very high36 Ų3616 Ų1614%0.1419%0.085CC..Hα-helixtrans-56.7-57.3172.1-178.8-77.9000111.7V12 S14 V18 A19 E20 A92 I95 T168 W170V12-Y16 PolarHBondContact O-N 2.96Å; S14-Y16 PolarHBondContact O-N 3.03Å; Y16-V18 VanDerWaalsContact C-N 3.34Å; Y16-V18 PolarHBondContact O-N 3Å; Y16-A19 PolarHBondContact O-N 3.47Å; Y16-E20 HydrophobicContact CE1-CG 4.07Å; Y16-E20 WeakPolarHBondContact CE1-OE1 3.44Å; Y16-E20 WeakPolarHBondContact CE1-OE2 3.04Å; Y16-E20 PolarHBondContact O-N 2.9Å; Y16-E20 VanDerWaalsContact O-N 3.08Å; Y16-E20 PolarHBondContact OH-OE1 2.74Å; Y16-A92 HydrophobicContact CD1-CB 3.65Å; Y16-A92 HydrophobicContact CE1-CB 4.31Å; Y16-A92 HydrophobicContact CG-CB 3.91Å; Y16-I95 HydrophobicContact CD2-CD1 3.84Å; Y16-I95 HydrophobicContact CG-CD1 3.93Å; Y16-T168 HydrophobicContact CD2-CG2 3.46Å; Y16-T168 VanDerWaalsContact CD2-CG2 3.46Å; Y16-T168 VanDerWaalsContact CE2-CB 3.43Å; Y16-T168 HydrophobicContact CE2-CG2 3.44Å; Y16-T168 VanDerWaalsContact CE2-CG2 3.44Å; Y16-T168 HydrophobicContact CG-CG2 4.1Å; Y16-W170 HydrophobicContact CD2-CB 4.33Å; Y16-W170 AromaticContact CD2-CD1 3.68Å; Y16-W170 HydrophobicContact CD2-CG 4.16Å; Y16-W170 AromaticContact CE2-CD1 3.81Å
17S98.8Very high98.6Very high15 Ų1517.5 Ų17.511%0.1059%0.086CC..Hα-helixtrans-64.1-40.1-178.9-60.60000111.8S14 A19 E20 K21 A92S14-S17 PolarHBondContact O-N 3.49Å; S17-A19 VanDerWaalsContact C-N 3.34Å; S17-A19 PolarHBondContact O-N 3.3Å; S17-E20 WeakPolarHBondContact O-CB 3.4Å; S17-E20 PolarHBondContact O-N 3.01Å; S17-K21 PolarHBondContact O-N 3.45Å; S17-A92 PolarHBondContact OG-N 3.32Å
18V98.8Very high98.5Very high2 Ų223.8 Ų23.81%0.01211%0.112CC..Hα-helixtrans-62.5-39.4176.1168.90000111.5S14 Y16 K21 A22 I58 L62 E88 I137S14-V18 VanDerWaalsContact O-CB 3.32Å; S14-V18 WeakPolarHBondContact O-CB 3.45Å; S14-V18 WeakPolarHBondContact O-CG2 3.21Å; S14-V18 PolarHBondContact O-N 3.03Å; Y16-V18 VanDerWaalsContact C-N 3.34Å; Y16-V18 PolarHBondContact O-N 3Å; V18-K21 WeakPolarHBondContact O-CB 3.3Å; V18-K21 PolarHBondContact O-N 2.88Å; V18-A22 WeakPolarHBondContact O-CB 3.35Å; V18-A22 PolarHBondContact O-N 3.19Å; V18-I58 HydrophobicContact CG1-CB 3.95Å; V18-I58 HydrophobicContact CG1-CG1 3.78Å; V18-I58 HydrophobicContact CG1-CG2 3.95Å; V18-L62 HydrophobicContact CG1-CG 4.44Å; V18-L62 HydrophobicContact CG2-CD2 4.15Å; V18-E88 HydrophobicContact CG2-CB 4.01Å; V18-E88 HydrophobicContact CG2-CG 4.18Å; V18-I137 HydrophobicContact CG1-CD1 4.24Å
19A98.9Very high98.5Very high0 Ų024.1 Ų24.10%011%0.114CC..Hα-helixtrans-68.7-34.6176.200000112.2A15 Y16 S17 A22 G23 I137 V149 N151A15-A19 WeakPolarHBondContact O-CB 3.46Å; A15-A19 PolarHBondContact O-N 3.01Å; Y16-A19 PolarHBondContact O-N 3.47Å; S17-A19 VanDerWaalsContact C-N 3.34Å; S17-A19 PolarHBondContact O-N 3.3Å; A19-A22 PolarHBondContact O-N 3.39Å; A19-G23 PolarHBondContact O-N 3Å; A19-I137 HydrophobicContact CB-CD1 4.02Å; A19-V149 HydrophobicContact CB-CG1 3.61Å; A19-N151 HydrophobicContact CB-CB 3.97Å
20E98.7Very high98.4Very high81 Ų8126.2 Ų26.238%0.37913%0.125SC..Hα-helixtrans-64.2-42.6171.6-72.2-174.3149.200112Y16 S17 G23 A24 T168Y16-E20 HydrophobicContact CE1-CG 4.07Å; Y16-E20 WeakPolarHBondContact CE1-OE1 3.44Å; Y16-E20 WeakPolarHBondContact CE1-OE2 3.04Å; Y16-E20 PolarHBondContact O-N 2.9Å; Y16-E20 VanDerWaalsContact O-N 3.08Å; Y16-E20 PolarHBondContact OH-OE1 2.74Å; S17-E20 WeakPolarHBondContact O-CB 3.4Å; S17-E20 PolarHBondContact O-N 3.01Å; E20-G23 PolarHBondContact O-N 2.86Å; E20-A24 PolarHBondContact O-N 3.3Å; E20-T168 WeakPolarHBondContact CG-OG1 3.45Å
21K98.6Very high98.2Very high58 Ų5830.9 Ų30.925%0.25215%0.148SC..Hα-helixtrans-60.4-47173.4179.667.6173.4-165.60111.4S17 V18 G23 A24 I25 D85 E88S17-K21 PolarHBondContact O-N 3.45Å; V18-K21 WeakPolarHBondContact O-CB 3.3Å; V18-K21 PolarHBondContact O-N 2.88Å; K21-G23 PolarHBondContact O-N 3.45Å; K21-A24 WeakPolarHBondContact O-CB 3.29Å; K21-A24 PolarHBondContact O-N 2.79Å; K21-A24 VanDerWaalsContact O-N 3.15Å; K21-I25 HydrophobicContact CG-CD1 4.17Å; K21-I25 WeakPolarHBondContact O-CG1 3.17Å; K21-I25 PolarHBondContact O-N 3Å; K21-D85 VanDerWaalsContact CE-O 3.22Å; K21-D85 WeakPolarHBondContact CE-O 3.49Å; K21-D85 PolarHBondContact NZ-O 3.31Å; K21-E88 HydrophobicContact CB-CB 3.98Å; K21-E88 HydrophobicContact CB-CG 4.24Å; K21-E88 HydrophobicContact CG-CB 4.12Å
22A98.6Very high98Very high0 Ų034 Ų340%017%0.171CC..Hα-helixtrans-58.4-46.2174.900000111.5V18 A19 A24 I25 V26 A54 I58 V135V18-A22 WeakPolarHBondContact O-CB 3.35Å; V18-A22 PolarHBondContact O-N 3.19Å; A19-A22 PolarHBondContact O-N 3.39Å; A22-A24 VanDerWaalsContact C-N 3.28Å; A22-A24 PolarHBondContact O-N 2.98Å; A22-I25 WeakPolarHBondContact O-CA 3.24Å; A22-I25 WeakPolarHBondContact O-CB 3.39Å; A22-I25 PolarHBondContact O-N 2.87Å; A22-V26 WeakPolarHBondContact O-CG2 3.28Å; A22-V26 PolarHBondContact O-N 2.8Å; A22-A54 HydrophobicContact CB-CB 4.21Å; A22-I58 HydrophobicContact CB-CD1 3.84Å; A22-I58 HydrophobicContact CB-CG1 3.9Å; A22-V135 HydrophobicContact CB-CG1 3.91Å; A22-V135 HydrophobicContact CB-CG2 4.15Å
23G98.5Very high97.7Very high0 Ų037 Ų370%020%0.201CC..Hα-helixtrans-59.8-36.5174.600000113.3A19 E20 K21 V26 R27A19-G23 PolarHBondContact O-N 3Å; E20-G23 PolarHBondContact O-N 2.86Å; K21-G23 PolarHBondContact O-N 3.45Å; G23-V26 PolarHBondContact O-N 3.22Å; G23-R27 WeakPolarHBondContact O-CG 3.32Å; G23-R27 PolarHBondContact O-N 2.83Å
24A98.2Very high97.5Very high41 Ų4144 Ų4434%0.33923%0.234SC..Hα-helixtrans-66.6-38.3173.300000112.6E20 K21 A22 R27 K28E20-A24 PolarHBondContact O-N 3.3Å; K21-A24 WeakPolarHBondContact O-CB 3.29Å; K21-A24 PolarHBondContact O-N 2.79Å; K21-A24 VanDerWaalsContact O-N 3.15Å; A22-A24 VanDerWaalsContact C-N 3.28Å; A22-A24 PolarHBondContact O-N 2.98Å; A24-R27 PolarHBondContact O-N 2.99Å; A24-K28 WeakPolarHBondContact O-CB 3.48Å; A24-K28 PolarHBondContact O-N 3.49Å
25I98.2Very high97.2Very high13 Ų1345.2 Ų45.27%0.06724%0.24CC..Hα-helixtrans-62.5-48.6173.4-69.5157.4000110.3K21 A22 R27 K28 V29 L53 S57 M86K21-I25 HydrophobicContact CG-CD1 4.17Å; K21-I25 WeakPolarHBondContact O-CG1 3.17Å; K21-I25 PolarHBondContact O-N 3Å; A22-I25 WeakPolarHBondContact O-CA 3.24Å; A22-I25 WeakPolarHBondContact O-CB 3.39Å; A22-I25 PolarHBondContact O-N 2.87Å; I25-R27 VanDerWaalsContact C-N 3.33Å; I25-R27 PolarHBondContact O-N 3.02Å; I25-K28 WeakPolarHBondContact O-CB 3.28Å; I25-K28 PolarHBondContact O-N 3.26Å; I25-K28 VanDerWaalsContact O-N 3.09Å; I25-V29 WeakPolarHBondContact O-CG2 3.28Å; I25-V29 PolarHBondContact O-N 3.43Å; I25-L53 HydrophobicContact CG2-CB 3.62Å; I25-L53 HydrophobicContact CG2-CD1 4.45Å; I25-S57 VanDerWaalsContact CD1-CB 3.47Å; I25-M86 HydrophobicContact CD1-CE 3.45Å; I25-M86 VanDerWaalsContact CD1-CE 3.45Å; I25-M86 HydrophobicContact CD1-SD 3.96Å; I25-M86 HydrophobicContact CG1-CE 4.01Å; I25-M86 HydrophobicContact CG1-SD 4.18Å; I25-M86 HydrophobicContact CG2-CE 4.39Å
26V98.3Very high97Very high0 Ų047.1 Ų47.10%026%0.26CS..Hα-helixtrans-55.3-49.6177.3173.70000110.4A22 G23 K28 V29 L30 A50 A54 L119 Y125 V133 V135 P153 F154A22-V26 WeakPolarHBondContact O-CG2 3.28Å; A22-V26 PolarHBondContact O-N 2.8Å; G23-V26 PolarHBondContact O-N 3.22Å; V26-K28 PolarHBondContact O-N 2.87Å; V26-V29 PolarHBondContact O-N 3.31Å; V26-L30 PolarHBondContact O-N 3.36Å; V26-L30 VanDerWaalsContact O-N 3.15Å; V26-A50 HydrophobicContact CG2-CB 4.35Å; V26-A54 HydrophobicContact CG2-CB 4.44Å; V26-L119 HydrophobicContact CG1-CD1 4.05Å; V26-L119 HydrophobicContact CG2-CD1 4.11Å; V26-Y125 HydrophobicContact CG1-CD2 4.46Å; V26-Y125 HydrophobicContact CG1-CE2 3.86Å; V26-Y125 PolarHBondContact O-OH 2.95Å; V26-V133 HydrophobicContact CG1-CG1 4.38Å; V26-V135 HydrophobicContact CG2-CG2 4.32Å; V26-P153 HydrophobicContact CB-CB 4.39Å; V26-P153 HydrophobicContact CB-CG 4.27Å; V26-P153 HydrophobicContact CG1-CB 4.29Å; V26-P153 HydrophobicContact CG1-CG 4.21Å; V26-F154 HydrophobicContact CG1-CE2 3.79Å; V26-F154 HydrophobicContact CG1-CZ 4.25Å
27R97.6Very high96.7Very high52 Ų5249.5 Ų49.520%0.19627%0.274CS..Hα-helixtrans-59.5-46.4175-71.3-169.3-64.5-83.9-2.8111.9G23 A24 I25 V29 L30 H31 P153 F154G23-R27 WeakPolarHBondContact O-CG 3.32Å; G23-R27 PolarHBondContact O-N 2.83Å; A24-R27 PolarHBondContact O-N 2.99Å; I25-R27 VanDerWaalsContact C-N 3.33Å; I25-R27 PolarHBondContact O-N 3.02Å; R27-V29 VanDerWaalsContact C-N 3.31Å; R27-V29 PolarHBondContact O-N 2.8Å; R27-L30 PolarHBondContact O-N 3.14Å; R27-H31 PolarHBondContact O-N 3.3Å; R27-H31 PolarHBondContact O-ND1 2.9Å; R27-P153 WeakPolarHBondContact CD-O 3.43Å; R27-P153 HydrophobicContact CG-CB 4.26Å; R27-P153 PolarHBondContact NH1-O 3.17Å; R27-F154 HydrophobicContact CB-CE1 4.47Å; R27-F154 HydrophobicContact CG-CD1 4.24Å; R27-F154 HydrophobicContact CG-CE1 3.75Å; R27-F154 HydrophobicContact CG-CZ 3.95Å
28K97.1Very high96.5Very high148 Ų14852 Ų5264%0.64329%0.288SS*.Hα-helixtrans-58.9-42-178.2-175.9-178.3177.4-1750112A24 I25 V26 H31 S32A24-K28 WeakPolarHBondContact O-CB 3.48Å; A24-K28 PolarHBondContact O-N 3.49Å; I25-K28 WeakPolarHBondContact O-CB 3.28Å; I25-K28 PolarHBondContact O-N 3.26Å; I25-K28 VanDerWaalsContact O-N 3.09Å; V26-K28 PolarHBondContact O-N 2.87Å; K28-H31 PolarHBondContact O-N 3.18Å; K28-S32 PolarHBondContact O-N 3.42Å; K28-S32 VanDerWaalsContact O-N 3.08Å
29V97.6Very high96.1Very high6 Ų658.1 Ų58.14%0.03632%0.317CS..Hα-helixtrans-65.4-40.8176.8173.30000111.3I25 V26 R27 H31 S32 L35 L49 A50 L53I25-V29 WeakPolarHBondContact O-CG2 3.28Å; I25-V29 PolarHBondContact O-N 3.43Å; V26-V29 PolarHBondContact O-N 3.31Å; R27-V29 VanDerWaalsContact C-N 3.31Å; R27-V29 PolarHBondContact O-N 2.8Å; V29-H31 VanDerWaalsContact C-N 3.32Å; V29-H31 PolarHBondContact O-N 2.88Å; V29-S32 PolarHBondContact O-N 2.84Å; V29-S32 PolarHBondContact O-OG 3.14Å; V29-L35 HydrophobicContact CG1-CD2 4.19Å; V29-L49 HydrophobicContact CG1-CB 4.06Å; V29-L49 HydrophobicContact CG1-CD2 4.49Å; V29-L49 HydrophobicContact CG1-CG 4.48Å; V29-L49 HydrophobicContact CG2-CD2 4.39Å; V29-L49 HydrophobicContact CG2-CG 4.27Å; V29-A50 HydrophobicContact CB-CB 3.96Å; V29-A50 HydrophobicContact CG1-CB 3.96Å; V29-A50 HydrophobicContact CG2-CB 4.19Å; V29-L53 HydrophobicContact CG2-CD1 4.08Å
30L96.1Very high95.6Very high46 Ų4661.4 Ų61.424%0.24133%0.331CS..Hα-helixtrans-61.3-43.9175.9-169.669.7000111.3V26 R27 S32 G33 L35 Y125 L130 F154V26-L30 PolarHBondContact O-N 3.36Å; V26-L30 VanDerWaalsContact O-N 3.15Å; R27-L30 PolarHBondContact O-N 3.14Å; L30-S32 VanDerWaalsContact C-N 3.3Å; L30-S32 PolarHBondContact O-N 3.08Å; L30-G33 PolarHBondContact O-N 3.43Å; L30-L35 HydrophobicContact CD1-CD2 4.14Å; L30-Y125 WeakPolarHBondContact CA-OH 3.28Å; L30-Y125 HydrophobicContact CB-CE2 3.97Å; L30-Y125 WeakPolarHBondContact CB-OH 3.44Å; L30-Y125 HydrophobicContact CD1-CD2 4.47Å; L30-Y125 HydrophobicContact CD1-CE2 3.8Å; L30-Y125 HydrophobicContact CD2-CE2 4.41Å; L30-Y125 HydrophobicContact CG-CE2 4.27Å; L30-Y125 PolarHBondContact N-OH 2.82Å; L30-L130 HydrophobicContact CD1-CD2 4.21Å; L30-L130 HydrophobicContact CD2-CD1 3.5Å; L30-L130 HydrophobicContact CD2-CD2 3.54Å; L30-L130 HydrophobicContact CD2-CG 4.17Å; L30-F154 HydrophobicContact CB-CZ 4.1Å; L30-F154 HydrophobicContact CD2-CD1 4.46Å; L30-F154 HydrophobicContact CD2-CE1 3.43Å; L30-F154 VanDerWaalsContact CD2-CE1 3.43Å; L30-F154 HydrophobicContact CD2-CZ 3.48Å; L30-F154 VanDerWaalsContact CD2-CZ 3.48Å; L30-F154 HydrophobicContact CG-CZ 4.4Å
31H95Very high94.8Very high145 Ų14564 Ų6467%0.67135%0.353SS*.Hα-helixtrans-69.9-23.2-178.4-71.887000113.5R27 K28 V29 G33R27-H31 PolarHBondContact O-N 3.3Å; R27-H31 PolarHBondContact O-ND1 2.9Å; K28-H31 PolarHBondContact O-N 3.18Å; V29-H31 VanDerWaalsContact C-N 3.32Å; V29-H31 PolarHBondContact O-N 2.88Å; H31-G33 PolarHBondContact O-N 3.46Å
32S95.8Very high93.8Very high68 Ų6862.6 Ų62.648%0.47636%0.355SS..Hα-helixtrans-72.2-20.1174.571.90000112.5K28 V29 L30 E34K28-S32 PolarHBondContact O-N 3.42Å; K28-S32 VanDerWaalsContact O-N 3.08Å; V29-S32 PolarHBondContact O-N 2.84Å; V29-S32 PolarHBondContact O-OG 3.14Å; L30-S32 VanDerWaalsContact C-N 3.3Å; L30-S32 PolarHBondContact O-N 3.08Å; S32-E34 PolarHBondContact O-N 3Å; S32-E34 PolarHBondContact OG-N 3.22Å
33G92.4Very high92.7Very high62 Ų6265.5 Ų65.564%0.63938%0.378SS*.SBendtrans75.4-6.5-174.200000114.2L30 H31L30-G33 PolarHBondContact O-N 3.43Å; H31-G33 PolarHBondContact O-N 3.46Å
34E93.1Very high91.7Very high146 Ų14669.1 Ų69.168%0.68240%0.398SS*.  trans-102.480.6-178.5-67.7-177.7-176.100110.3S32 G36S32-E34 PolarHBondContact O-N 3Å; S32-E34 PolarHBondContact OG-N 3.22Å; E34-G36 VanDerWaalsContact C-N 3.26Å; E34-G36 PolarHBondContact O-N 2.91Å
35L93.4Very high91.1Very high31 Ų3169.2 Ų69.216%0.16239%0.393CS..  trans-68.4-23.1-178.2-63.1-174.1000113.2V29 L30 I37 T48 L49 Y125 T126V29-L35 HydrophobicContact CG1-CD2 4.19Å; L30-L35 HydrophobicContact CD1-CD2 4.14Å; L35-I37 VanDerWaalsContact C-N 3.35Å; L35-I37 HydrophobicContact CB-CD1 4.28Å; L35-I37 HydrophobicContact CB-CG1 3.79Å; L35-I37 HydrophobicContact CD1-CD1 4.27Å; L35-I37 PolarHBondContact O-N 3.24Å; L35-T48 CarbonylContact O-C 3.55Å; L35-T48 WeakPolarHBondContact O-CA 3.24Å; L35-T48 VanDerWaalsContact O-CB 3.26Å; L35-T48 WeakPolarHBondContact O-CB 3.17Å; L35-L49 WeakPolarHBondContact O-CB 3.45Å; L35-L49 PolarHBondContact O-N 3.1Å; L35-Y125 HydrophobicContact CD2-CE1 3.75Å; L35-T126 HydrophobicContact CD1-CG2 4.37Å
36G93.9Very high90.9Very high40 Ų4069.2 Ų69.241%0.41239%0.393SS..  trans54.948.6179.200000113.1E34 R52E34-G36 VanDerWaalsContact C-N 3.26Å; E34-G36 PolarHBondContact O-N 2.91Å; G36-R52 PolarHBondContact O-NH1 3.04Å; G36-R52 PolarHBondContact O-NH2 3.09Å
37I93.8Very high90.8Very high85 Ų8570.2 Ų70.244%0.43640%0.398SS..  trans-67.8132.3-175.3-55.1173.7000110.1L35 L46 Q47 T48 T126L35-I37 VanDerWaalsContact C-N 3.35Å; L35-I37 HydrophobicContact CB-CD1 4.28Å; L35-I37 HydrophobicContact CB-CG1 3.79Å; L35-I37 HydrophobicContact CD1-CD1 4.27Å; L35-I37 PolarHBondContact O-N 3.24Å; I37-L46 HydrophobicContact CG2-CB 4.39Å; I37-L46 HydrophobicContact CG2-CD1 4.31Å; I37-L46 HydrophobicContact CG2-CD2 4.11Å; I37-Q47 CarbonylContact C-O 3.59Å; I37-Q47 WeakPolarHBondContact CA-O 3.36Å; I37-T48 HydrophobicContact CG1-CG2 4.18Å; I37-T126 HydrophobicContact CD1-CG2 3.69Å; I37-T126 HydrophobicContact CG1-CG2 4.06Å
38V93.4Very high90.7Very high68 Ų6867.8 Ų67.841%0.41239%0.388SS..EExtended strand (participates in β ladder)trans-123.7131.3172.4179.40000107.6Q47V38-Q47 PolarHBondContact N-O 3.26Å; V38-Q47 PolarHBondContact O-N 3.39Å
39E91.1Very high90.7Very high130 Ų13063.3 Ų63.361%0.60737%0.371SS*.EExtended strand (participates in β ladder)trans-82.9124.9170.6-62.8-171.6178.800109.1L46E39-L46 HydrophobicContact CG-CD2 3.8Å
40K87.6Confident90.7Very high70 Ų7063 Ų6330%0.30437%0.37SS..EExtended strand (participates in β ladder)trans-82.9-94.9177.9-68.7-172.3-78.9-165.70109D45 Q47 E74 E75K40-D45 HydrophobicContact CB-CB 4.47Å; K40-D45 WeakPolarHBondContact CB-OD2 3.44Å; K40-D45 WeakPolarHBondContact CE-OD1 3.32Å; K40-D45 PolarHBondContact N-O 3.29Å; K40-D45 IonicContact NZ-OD1 3.38Å; K40-Q47 HydrophobicContact CD-CB 4.03Å; K40-Q47 HydrophobicContact CG-CB 4.08Å; K40-E74 IonicContact NZ-OE1 3.15Å; K40-E74 PolarHBondContact NZ-OE1 2.65Å; K40-E75 IonicContact NZ-OE1 2.92Å; K40-E75 PolarHBondContact NZ-OE1 3.24Å; K40-E75 IonicContact NZ-OE2 2.68Å; K40-E75 PolarHBondContact NZ-OE2 2.87Å
41T81.8Confident90.8Very high135 Ų13560.9 Ų60.983%0.82836%0.358SS*.EExtended strand (participates in β ladder)trans-97.3-4.3-177.966.10000114.4D45T41-D45 WeakPolarHBondContact CB-OD2 3.32Å; T41-D45 PolarHBondContact N-OD2 3.27Å; T41-D45 PolarHBondContact OG1-OD2 2.89Å
42G78.8Confident90.9Very high29 Ų2956.4 Ų56.430%0.29934%0.336SS..EExtended strand (participates in β ladder)trans171.4-179173.800000114.2N44 D45G42-N44 PolarHBondContact O-N 2.76Å; G42-D45 CarbonylContact O-C 3.52Å; G42-D45 PolarHBondContact O-N 3.12Å
43A74.9Confident91Very high60 Ų6055.7 Ų55.750%0.49633%0.326SS..THydrogen-bonded Turntrans-62.9-12.2-171.900000116.3K123A43-K123 PolarHBondContact O-NZ 3.28Å
44N77.9Confident91.3Very high77 Ų7752.8 Ų52.841%0.41230%0.296SS..THydrogen-bonded Turntrans-113.38.1176.5-66.9-20.7000112.7G42 S197 H198G42-N44 PolarHBondContact O-N 2.76Å; N44-S197 PolarHBondContact ND2-O 3.28Å; N44-H198 PolarHBondContact O-NE2 3.37Å
45D85.4Confident91.5Very high42 Ų4246.4 Ų46.423%0.22527%0.266CS..EExtended strand (participates in β ladder)trans-122.684.4177.2-177.227.1000107.8K40 T41 G42K40-D45 HydrophobicContact CB-CB 4.47Å; K40-D45 WeakPolarHBondContact CB-OD2 3.44Å; K40-D45 WeakPolarHBondContact CE-OD1 3.32Å; K40-D45 PolarHBondContact N-O 3.29Å; K40-D45 IonicContact NZ-OD1 3.38Å; T41-D45 WeakPolarHBondContact CB-OD2 3.32Å; T41-D45 PolarHBondContact N-OD2 3.27Å; T41-D45 PolarHBondContact OG1-OD2 2.89Å; G42-D45 CarbonylContact O-C 3.52Å; G42-D45 PolarHBondContact O-N 3.12Å
46L93.2Very high91.8Very high14 Ų1447.5 Ų47.57%0.07327%0.27CS..EExtended strand (participates in β ladder)trans-106.7151.8-171.6-57.2-177.3000110.1I37 E39 T122 K123 T126I37-L46 HydrophobicContact CG2-CB 4.39Å; I37-L46 HydrophobicContact CG2-CD1 4.31Å; I37-L46 HydrophobicContact CG2-CD2 4.11Å; E39-L46 HydrophobicContact CG-CD2 3.8Å; L46-T122 HydrophobicContact CB-CG2 4.24Å; L46-T122 WeakPolarHBondContact O-CG2 3.19Å; L46-K123 HydrophobicContact CD1-CD 3.77Å; L46-K123 HydrophobicContact CG-CD 4.48Å; L46-T126 HydrophobicContact CD1-CG2 4.02Å
47Q96.1Very high92Very high21 Ų2145.6 Ų45.610%0.09825%0.25CC..EExtended strand (participates in β ladder)trans-131.6129168.8-175.8-159.781.200108.3I37 V38 K40 D51 R52 E75I37-Q47 CarbonylContact C-O 3.59Å; I37-Q47 WeakPolarHBondContact CA-O 3.36Å; V38-Q47 PolarHBondContact N-O 3.26Å; V38-Q47 PolarHBondContact O-N 3.39Å; K40-Q47 HydrophobicContact CD-CB 4.03Å; K40-Q47 HydrophobicContact CG-CB 4.08Å; Q47-D51 HydrophobicContact CG-CB 4.03Å; Q47-R52 HydrophobicContact CG-CG 4.13Å; Q47-R52 VanDerWaalsContact OE1-CD 3.26Å; Q47-E75 HydrophobicContact CG-CG 4.49Å; Q47-E75 PolarHBondContact NE2-OE2 3.42Å
48T97.1Very high92.2Very high0 Ų041.6 Ų41.60%023%0.229CC..  trans-106.3174.1176.678.80000111.6L35 I37 A50 D51 R52 T122 Y125 T126L35-T48 CarbonylContact O-C 3.55Å; L35-T48 WeakPolarHBondContact O-CA 3.24Å; L35-T48 VanDerWaalsContact O-CB 3.26Å; L35-T48 WeakPolarHBondContact O-CB 3.17Å; I37-T48 HydrophobicContact CG1-CG2 4.18Å; T48-A50 PolarHBondContact O-N 3.12Å; T48-A50 WeakPolarHBondContact OG1-CB 3.44Å; T48-A50 PolarHBondContact OG1-N 3.11Å; T48-A50 VanDerWaalsContact OG1-N 3.12Å; T48-D51 VanDerWaalsContact CA-OD2 3.25Å; T48-D51 WeakPolarHBondContact CA-OD2 3.3Å; T48-D51 VanDerWaalsContact CB-OD2 3.23Å; T48-D51 WeakPolarHBondContact CB-OD2 3.32Å; T48-D51 PolarHBondContact N-OD2 3.26Å; T48-D51 PolarHBondContact O-N 3.16Å; T48-D51 PolarHBondContact OG1-OD2 3.49Å; T48-R52 PolarHBondContact O-N 3.37Å; T48-R52 PolarHBondContact O-NH1 2.93Å; T48-T122 HydrophobicContact CG2-CG2 3.71Å; T48-Y125 HydrophobicContact CG2-CD1 4.13Å; T48-Y125 HydrophobicContact CG2-CE1 4.36Å; T48-T126 HydrophobicContact CG2-CG2 3.75Å
49L96.9Very high92.4Very high55 Ų5539.8 Ų39.829%0.28822%0.219SC..Hα-helixtrans-59.7-30.4170.3-177.862.7000111.6V29 L35 R52 L53V29-L49 HydrophobicContact CG1-CB 4.06Å; V29-L49 HydrophobicContact CG1-CD2 4.49Å; V29-L49 HydrophobicContact CG1-CG 4.48Å; V29-L49 HydrophobicContact CG2-CD2 4.39Å; V29-L49 HydrophobicContact CG2-CG 4.27Å; L35-L49 WeakPolarHBondContact O-CB 3.45Å; L35-L49 PolarHBondContact O-N 3.1Å; L49-R52 VanDerWaalsContact CA-NH2 3.31Å; L49-L53 HydrophobicContact CD1-CD1 3.84Å; L49-L53 HydrophobicContact CD1-CD2 4.35Å; L49-L53 HydrophobicContact CD1-CG 3.8Å; L49-L53 HydrophobicContact CD2-CD1 4.21Å; L49-L53 HydrophobicContact CG-CD1 3.69Å; L49-L53 HydrophobicContact CG-CG 4.06Å; L49-L53 WeakPolarHBondContact O-CB 3.19Å; L49-L53 VanDerWaalsContact O-CG 3.25Å; L49-L53 WeakPolarHBondContact O-CG 3.49Å; L49-L53 PolarHBondContact O-N 2.93Å
50A97.8Very high92.7Very high0 Ų034.8 Ų34.80%020%0.2CC..Hα-helixtrans-66.2-45178.300000111.4V26 V29 T48 R52 L53 A54 L119 Y125V26-A50 HydrophobicContact CG2-CB 4.35Å; V29-A50 HydrophobicContact CB-CB 3.96Å; V29-A50 HydrophobicContact CG1-CB 3.96Å; V29-A50 HydrophobicContact CG2-CB 4.19Å; T48-A50 PolarHBondContact O-N 3.12Å; T48-A50 WeakPolarHBondContact OG1-CB 3.44Å; T48-A50 PolarHBondContact OG1-N 3.11Å; T48-A50 VanDerWaalsContact OG1-N 3.12Å; A50-R52 PolarHBondContact O-N 2.78Å; A50-L53 PolarHBondContact O-N 2.77Å; A50-A54 WeakPolarHBondContact O-CB 3.4Å; A50-A54 PolarHBondContact O-N 2.85Å; A50-L119 HydrophobicContact CB-CD1 3.44Å; A50-L119 VanDerWaalsContact CB-CD1 3.44Å; A50-Y125 HydrophobicContact CB-CE1 3.97Å
51D98.1Very high93.2Very high0 Ų031.6 Ų31.60%019%0.187CC..Hα-helixtrans-57.1-50.5176.7-47.3-114.4000110.3Q47 T48 L53 Q55 E75 P118 L119 T122Q47-D51 HydrophobicContact CG-CB 4.03Å; T48-D51 VanDerWaalsContact CA-OD2 3.25Å; T48-D51 WeakPolarHBondContact CA-OD2 3.3Å; T48-D51 VanDerWaalsContact CB-OD2 3.23Å; T48-D51 WeakPolarHBondContact CB-OD2 3.32Å; T48-D51 PolarHBondContact N-OD2 3.26Å; T48-D51 PolarHBondContact O-N 3.16Å; T48-D51 PolarHBondContact OG1-OD2 3.49Å; D51-L53 PolarHBondContact O-N 2.91Å; D51-Q55 WeakPolarHBondContact O-CB 3.5Å; D51-Q55 PolarHBondContact O-N 3.45Å; D51-E75 HydrophobicContact CB-CG 4.2Å; D51-P118 HydrophobicContact CB-CG 4.32Å; D51-P118 WeakPolarHBondContact O-CB 3.13Å; D51-L119 HydrophobicContact CB-CB 4.4Å; D51-T122 VanDerWaalsContact OD1-CG2 3.24Å; D51-T122 WeakPolarHBondContact OD1-CG2 3.38Å; D51-T122 PolarHBondContact OD1-OG1 3.15Å; D51-T122 WeakPolarHBondContact OD2-CG2 3.47Å
52R97.3Very high94Very high52 Ų5225.2 Ų25.220%0.19615%0.148CC..Hα-helixtrans-61.8-48.7-179.2-62.8-170.8-72.5-81.7-0112.5G36 Q47 T48 L49 A50 K56 L77G36-R52 PolarHBondContact O-NH1 3.04Å; G36-R52 PolarHBondContact O-NH2 3.09Å; Q47-R52 HydrophobicContact CG-CG 4.13Å; Q47-R52 VanDerWaalsContact OE1-CD 3.26Å; T48-R52 PolarHBondContact O-N 3.37Å; T48-R52 PolarHBondContact O-NH1 2.93Å; L49-R52 VanDerWaalsContact CA-NH2 3.31Å; A50-R52 PolarHBondContact O-N 2.78Å; R52-K56 WeakPolarHBondContact O-CB 3.44Å; R52-K56 WeakPolarHBondContact O-CG 3.25Å; R52-K56 PolarHBondContact O-N 2.97Å; R52-K56 VanDerWaalsContact O-N 3.09Å; R52-L77 HydrophobicContact CB-CD2 4.24Å; R52-L77 HydrophobicContact CG-CD2 3.85Å
53L97.3Very high94.9Very high53 Ų5326.4 Ų26.428%0.27715%0.151SC..Hα-helixtrans-71.9-39.6-176.5-70.1-177.9000112.1I25 V29 L49 A50 D51 K56 S57 M86I25-L53 HydrophobicContact CG2-CB 3.62Å; I25-L53 HydrophobicContact CG2-CD1 4.45Å; V29-L53 HydrophobicContact CG2-CD1 4.08Å; L49-L53 HydrophobicContact CD1-CD1 3.84Å; L49-L53 HydrophobicContact CD1-CD2 4.35Å; L49-L53 HydrophobicContact CD1-CG 3.8Å; L49-L53 HydrophobicContact CD2-CD1 4.21Å; L49-L53 HydrophobicContact CG-CD1 3.69Å; L49-L53 HydrophobicContact CG-CG 4.06Å; L49-L53 WeakPolarHBondContact O-CB 3.19Å; L49-L53 VanDerWaalsContact O-CG 3.25Å; L49-L53 WeakPolarHBondContact O-CG 3.49Å; L49-L53 PolarHBondContact O-N 2.93Å; A50-L53 PolarHBondContact O-N 2.77Å; D51-L53 PolarHBondContact O-N 2.91Å; L53-K56 PolarHBondContact O-N 3.35Å; L53-S57 WeakPolarHBondContact O-CB 3.35Å; L53-S57 PolarHBondContact O-N 2.82Å; L53-M86 HydrophobicContact CB-CE 3.82Å; L53-M86 HydrophobicContact CD2-CE 4.19Å; L53-M86 HydrophobicContact CG-CE 4.47Å; L53-M86 WeakPolarHBondContact O-CE 3.46Å
54A98.3Very high95.9Very high0 Ų029.9 Ų29.90%015%0.152CC..Hα-helixtrans-63.3-46175.800000110.5A22 V26 A50 K56 S57 I58 P118A22-A54 HydrophobicContact CB-CB 4.21Å; V26-A54 HydrophobicContact CG2-CB 4.44Å; A50-A54 WeakPolarHBondContact O-CB 3.4Å; A50-A54 PolarHBondContact O-N 2.85Å; A54-K56 PolarHBondContact O-N 3.37Å; A54-S57 WeakPolarHBondContact O-CB 3.27Å; A54-S57 PolarHBondContact O-N 3.19Å; A54-I58 WeakPolarHBondContact O-CD1 3.48Å; A54-I58 WeakPolarHBondContact O-CG1 3.21Å; A54-I58 PolarHBondContact O-N 3.08Å; A54-P118 HydrophobicContact CB-CB 3.93Å
55Q98.5Very high96.8Very high12 Ų1230.7 Ų30.76%0.05615%0.149CC..Hα-helixtrans-62.9-44.5177.8-164.2168.3-76.700112.4D51 S57 I58 C59 E75 L77 P118D51-Q55 WeakPolarHBondContact O-CB 3.5Å; D51-Q55 PolarHBondContact O-N 3.45Å; Q55-S57 VanDerWaalsContact C-N 3.32Å; Q55-S57 PolarHBondContact O-N 2.86Å; Q55-I58 PolarHBondContact O-N 2.96Å; Q55-C59 WeakPolarHBondContact O-CB 3.43Å; Q55-C59 PolarHBondContact O-N 2.84Å; Q55-C59 PolarHBondContact O-SG 3.01Å; Q55-C59 VanDerWaalsContact O-SG 3.37Å; Q55-E75 PolarHBondContact NE2-O 3.17Å; Q55-L77 HydrophobicContact CB-CD1 3.96Å; Q55-L77 HydrophobicContact CG-CD1 4.36Å; Q55-P118 HydrophobicContact CB-CB 3.68Å; Q55-P118 HydrophobicContact CB-CG 3.92Å; Q55-P118 HydrophobicContact CG-CB 4.44Å; Q55-P118 HydrophobicContact CG-CG 4.48Å
56K97.7Very high97.5Very high55 Ų5528.7 Ų28.724%0.23914%0.138CC..Hα-helixtrans-56.5-46.1175.2-77.6-179.2174.3-168.40111.6R52 L53 A54 A60 L77 E80 V82R52-K56 WeakPolarHBondContact O-CB 3.44Å; R52-K56 WeakPolarHBondContact O-CG 3.25Å; R52-K56 PolarHBondContact O-N 2.97Å; R52-K56 VanDerWaalsContact O-N 3.09Å; L53-K56 PolarHBondContact O-N 3.35Å; A54-K56 PolarHBondContact O-N 3.37Å; K56-A60 WeakPolarHBondContact O-CB 3.16Å; K56-A60 PolarHBondContact O-N 3.21Å; K56-L77 HydrophobicContact CG-CD1 3.99Å; K56-E80 IonicContact NZ-OE2 2.86Å; K56-E80 PolarHBondContact NZ-OE2 3.21Å; K56-V82 HydrophobicContact CB-CG2 4.14Å
57S98.3Very high97.7Very high0 Ų032.7 Ų32.70%017%0.165CC..Hα-helixtrans-61-49.7177-178.70000111.8I25 L53 A54 Q55 S61 M86I25-S57 VanDerWaalsContact CD1-CB 3.47Å; L53-S57 WeakPolarHBondContact O-CB 3.35Å; L53-S57 PolarHBondContact O-N 2.82Å; A54-S57 WeakPolarHBondContact O-CB 3.27Å; A54-S57 PolarHBondContact O-N 3.19Å; Q55-S57 VanDerWaalsContact C-N 3.32Å; Q55-S57 PolarHBondContact O-N 2.86Å; S57-S61 WeakPolarHBondContact O-CB 3.4Å; S57-S61 PolarHBondContact O-N 3.01Å; S57-S61 PolarHBondContact O-OG 2.99Å; S57-M86 WeakPolarHBondContact CB-O 3.16Å; S57-M86 PolarHBondContact OG-O 3.17Å
58I98.6Very high97.8Very high0 Ų037.7 Ų37.70%019%0.186CC..Hα-helixtrans-62.7-54.7-177-64.7161.7000110.7V18 A22 A54 Q55 A60 S61 L62 V116 V135 I137V18-I58 HydrophobicContact CG1-CB 3.95Å; V18-I58 HydrophobicContact CG1-CG1 3.78Å; V18-I58 HydrophobicContact CG1-CG2 3.95Å; A22-I58 HydrophobicContact CB-CD1 3.84Å; A22-I58 HydrophobicContact CB-CG1 3.9Å; A54-I58 WeakPolarHBondContact O-CD1 3.48Å; A54-I58 WeakPolarHBondContact O-CG1 3.21Å; A54-I58 PolarHBondContact O-N 3.08Å; Q55-I58 PolarHBondContact O-N 2.96Å; I58-A60 PolarHBondContact O-N 3.39Å; I58-S61 PolarHBondContact O-N 3.02Å; I58-L62 HydrophobicContact CG2-CD1 3.88Å; I58-L62 WeakPolarHBondContact O-CB 3.46Å; I58-L62 WeakPolarHBondContact O-CG 3.42Å; I58-L62 PolarHBondContact O-N 2.8Å; I58-V116 HydrophobicContact CB-CG1 4.27Å; I58-V116 HydrophobicContact CD1-CG1 3.73Å; I58-V116 HydrophobicContact CG2-CG1 3.84Å; I58-V116 HydrophobicContact CG2-CG2 3.81Å; I58-V135 HydrophobicContact CD1-CG1 3.66Å; I58-I137 HydrophobicContact CD1-CD1 4.48Å; I58-I137 HydrophobicContact CG1-CD1 4.39Å; I58-I137 HydrophobicContact CG2-CD1 3.85Å; I58-I137 HydrophobicContact CG2-CG1 4.3Å
59C98.1Very high97.9Very high30 Ų3038.2 Ų38.220%0.20319%0.19CC..Hα-helixtrans-63.4-44.1-175.8-66.10000111.6Q55 S63Q55-C59 WeakPolarHBondContact O-CB 3.43Å; Q55-C59 PolarHBondContact O-N 2.84Å; Q55-C59 PolarHBondContact O-SG 3.01Å; Q55-C59 VanDerWaalsContact O-SG 3.37Å; C59-S63 WeakPolarHBondContact O-CB 3.48Å; C59-S63 PolarHBondContact O-N 2.79Å; C59-S63 PolarHBondContact O-OG 2.92Å
60A97.4Very high97.9Very high25 Ų2538.4 Ų38.421%0.20719%0.193CC..Hα-helixtrans-68.2-39.6179.800000112.5K56 I58 R64 V82 I87K56-A60 WeakPolarHBondContact O-CB 3.16Å; K56-A60 PolarHBondContact O-N 3.21Å; I58-A60 PolarHBondContact O-N 3.39Å; A60-R64 VanDerWaalsContact O-CB 3.24Å; A60-R64 WeakPolarHBondContact O-CB 3.37Å; A60-R64 PolarHBondContact O-N 2.83Å; A60-V82 HydrophobicContact CB-CB 3.86Å; A60-V82 HydrophobicContact CB-CG1 4.05Å; A60-V82 HydrophobicContact CB-CG2 3.74Å; A60-I87 HydrophobicContact CB-CD1 3.39Å
61S98.4Very high98Very high3 Ų340.1 Ų40.12%0.02120%0.202CC..Hα-helixtrans-65-46.6178.6-57.70000112S57 I58 E88S57-S61 WeakPolarHBondContact O-CB 3.4Å; S57-S61 PolarHBondContact O-N 3.01Å; S57-S61 PolarHBondContact O-OG 2.99Å; I58-S61 PolarHBondContact O-N 3.02Å; S61-E88 WeakPolarHBondContact CB-O 3.48Å; S61-E88 PolarHBondContact OG-N 3.29Å
62L98.4Very high98Very high2 Ų241.3 Ų41.31%0.0121%0.208CC..Hα-helixtrans-70.2-45.6179.6-67.5-179.5000111.8L11 V18 I58 R64 R65 F66 I71 V114 I137L11-L62 HydrophobicContact CD1-CD2 4.14Å; V18-L62 HydrophobicContact CG1-CG 4.44Å; V18-L62 HydrophobicContact CG2-CD2 4.15Å; I58-L62 HydrophobicContact CG2-CD1 3.88Å; I58-L62 WeakPolarHBondContact O-CB 3.46Å; I58-L62 WeakPolarHBondContact O-CG 3.42Å; I58-L62 PolarHBondContact O-N 2.8Å; L62-R64 VanDerWaalsContact C-N 3.29Å; L62-R64 PolarHBondContact O-N 2.99Å; L62-R65 PolarHBondContact O-N 3.03Å; L62-R65 VanDerWaalsContact O-N 3.14Å; L62-F66 PolarHBondContact O-N 2.76Å; L62-I71 HydrophobicContact CB-CD1 3.5Å; L62-I71 VanDerWaalsContact CB-CD1 3.5Å; L62-I71 HydrophobicContact CD1-CD1 4.42Å; L62-V114 HydrophobicContact CD1-CG1 4.17Å; L62-I137 HydrophobicContact CD1-CG2 4.36Å
63S97.3Very high98Very high54 Ų5439.7 Ų39.738%0.37821%0.207SC..Hα-helixtrans-62.9-33.3178.3-67.40000113C59 R65 P67 I71C59-S63 WeakPolarHBondContact O-CB 3.48Å; C59-S63 PolarHBondContact O-N 2.79Å; C59-S63 PolarHBondContact O-OG 2.92Å; S63-R65 VanDerWaalsContact C-N 3.3Å; S63-R65 PolarHBondContact O-N 2.93Å; S63-P67 VanDerWaalsContact O-CA 3.24Å; S63-P67 WeakPolarHBondContact O-CA 3.4Å; S63-I71 WeakPolarHBondContact OG-CD1 3.38Å
64R96.6Very high98Very high133 Ų13339 Ų3950%0.50220%0.203SC..Hα-helixtrans-63.5-36.4175.7-178.4175.4-179.7167.2-8.5112.2A60 L62 E84A60-R64 VanDerWaalsContact O-CB 3.24Å; A60-R64 WeakPolarHBondContact O-CB 3.37Å; A60-R64 PolarHBondContact O-N 2.83Å; L62-R64 VanDerWaalsContact C-N 3.29Å; L62-R64 PolarHBondContact O-N 2.99Å; R64-E84 IonicContact CZ-OE1 3.95Å; R64-E84 IonicContact CZ-OE2 3.86Å; R64-E84 IonicContact NH1-OE1 2.89Å; R64-E84 PolarHBondContact NH1-OE1 3.47Å; R64-E84 IonicContact NH1-OE2 3.09Å; R64-E84 PolarHBondContact NH1-OE2 3.38Å; R64-E84 IonicContact NH2-OE1 3.39Å; R64-E84 PolarHBondContact NH2-OE1 3.34Å; R64-E84 VanDerWaalsContact NH2-OE1 3.09Å
65R97.1Very high97.9Very high93 Ų9339.5 Ų39.535%0.35121%0.205SC..Hα-helixtrans-95.3-29.1-175.6-166.3168.4-172.783.8-2.2113.7S14 L62 S63 Q91S14-R65 WeakPolarHBondContact OG-CD 3.24Å; L62-R65 PolarHBondContact O-N 3.03Å; L62-R65 VanDerWaalsContact O-N 3.14Å; S63-R65 VanDerWaalsContact C-N 3.3Å; S63-R65 PolarHBondContact O-N 2.93Å; R65-Q91 VanDerWaalsContact NE-CD 3.27Å; R65-Q91 VanDerWaalsContact NE-NE2 3.14Å; R65-Q91 VanDerWaalsContact NH2-CD 3.34Å
66F98.2Very high97.7Very high0 Ų046.6 Ų46.60%024%0.243CC..  trans-130.267-177.8-53.6-81000110.1V7 R10 L11 L62 K68 V69 E109V7-F66 HydrophobicContact CG2-CD1 4.45Å; R10-F66 HydrophobicContact CB-CE1 3.98Å; R10-F66 HydrophobicContact CB-CZ 4.01Å; L11-F66 HydrophobicContact CB-CE1 4.29Å; L11-F66 HydrophobicContact CB-CE2 4.44Å; L11-F66 HydrophobicContact CB-CZ 4.19Å; L11-F66 HydrophobicContact CD1-CD1 4.48Å; L11-F66 HydrophobicContact CD1-CD2 3.53Å; L11-F66 HydrophobicContact CD1-CE2 3.74Å; L11-F66 HydrophobicContact CD1-CG 3.93Å; L11-F66 HydrophobicContact CD1-CZ 4.31Å; L62-F66 PolarHBondContact O-N 2.76Å; F66-K68 PolarHBondContact O-N 3.43Å; F66-V69 HydrophobicContact CB-CB 4.15Å; F66-V69 HydrophobicContact CB-CG2 3.63Å; F66-V69 HydrophobicContact CG-CG2 4.48Å; F66-V69 PolarHBondContact O-N 2.86Å; F66-V69 VanDerWaalsContact O-N 3.08Å; F66-E109 WeakPolarHBondContact CA-OE2 3.38Å; F66-E109 HydrophobicContact CD1-CG 4.23Å
67P98Very high97.4Very high98 Ų9845.8 Ų45.864%0.63624%0.241SC*.THydrogen-bonded Turntrans-65.7-11.8-168.827.7-37.1000114.5S63S63-P67 VanDerWaalsContact O-CA 3.24Å; S63-P67 WeakPolarHBondContact O-CA 3.4Å
68K98.5Very high96.8Very high126 Ų12649.6 Ų49.655%0.54827%0.266SS..THydrogen-bonded Turntrans-99-11.1178.6-60.9-179.5179.1-177.30113.7F66 E109 E110F66-K68 PolarHBondContact O-N 3.43Å; K68-E109 HydrophobicContact CB-CB 3.74Å; K68-E110 HydrophobicContact CB-CB 4.24Å; K68-E110 VanDerWaalsContact CD-OE2 3.29Å; K68-E110 WeakPolarHBondContact CD-OE2 3.33Å; K68-E110 IonicContact NZ-OE2 2.82Å; K68-E110 WeakPolarHBondContact O-CA 3.22Å
69V98.4Very high95.8Very high12 Ų1256.3 Ų56.37%0.07331%0.312CS..SBendtrans-70.3136.5177171.60000108.9L11 F66 I71 E109 L112 V114L11-V69 HydrophobicContact CD2-CG2 4.39Å; F66-V69 HydrophobicContact CB-CB 4.15Å; F66-V69 HydrophobicContact CB-CG2 3.63Å; F66-V69 HydrophobicContact CG-CG2 4.48Å; F66-V69 PolarHBondContact O-N 2.86Å; F66-V69 VanDerWaalsContact O-N 3.08Å; V69-I71 HydrophobicContact CG1-CG1 4.16Å; V69-E109 HydrophobicContact CG2-CB 3.97Å; V69-E109 HydrophobicContact CG2-CG 4.37Å; V69-E109 WeakPolarHBondContact CG2-O 3.37Å; V69-L112 HydrophobicContact CG1-CB 4.41Å; V69-L112 HydrophobicContact CG2-CB 4.31Å; V69-V114 HydrophobicContact CG1-CB 4.24Å; V69-V114 HydrophobicContact CG1-CG2 3.48Å; V69-V114 VanDerWaalsContact CG1-CG2 3.48Å
70T98.6Very high95.1Very high58 Ų5860.1 Ų60.136%0.35633%0.327SS..EExtended strand (participates in β ladder)trans-79126.9171.1-58.60000108.7I72 L112 V113 V114 A274T70-I72 HydrophobicContact CG2-CD1 4.34Å; T70-I72 HydrophobicContact CG2-CG1 4.18Å; T70-L112 PolarHBondContact N-O 2.91Å; T70-L112 VanDerWaalsContact N-O 3.15Å; T70-V113 HydrophobicContact CG2-CG1 4.35Å; T70-V113 CarbonylContact O-C 3.38Å; T70-V113 WeakPolarHBondContact O-CA 3.09Å; T70-V114 PolarHBondContact O-N 2.94Å; T70-A274 HydrophobicContact CG2-CB 3.98Å
71I98.6Very high94.4Very high36 Ų3668.4 Ų68.419%0.18536%0.361CS..EExtended strand (participates in β ladder)trans-119.8124.8178.1-50.3-174.8000109.2L62 S63 V69 V114 V116L62-I71 HydrophobicContact CB-CD1 3.5Å; L62-I71 VanDerWaalsContact CB-CD1 3.5Å; L62-I71 HydrophobicContact CD1-CD1 4.42Å; S63-I71 WeakPolarHBondContact OG-CD1 3.38Å; V69-I71 HydrophobicContact CG1-CG1 4.16Å; I71-V114 CarbonylContact C-O 3.57Å; I71-V114 WeakPolarHBondContact CA-O 3.35Å; I71-V114 HydrophobicContact CG1-CB 4.27Å; I71-V114 HydrophobicContact CG2-CB 4.39Å; I71-V114 HydrophobicContact CG2-CG1 4.35Å; I71-V116 HydrophobicContact CG2-CG2 3.9Å
72I98.6Very high94Very high25 Ų2570.2 Ų70.213%0.12837%0.372CS..EExtended strand (participates in β ladder)trans-122.2115179.8-56.1169.9000107.9T70 V113 V114 W115 V116 W246 A274T70-I72 HydrophobicContact CG2-CD1 4.34Å; T70-I72 HydrophobicContact CG2-CG1 4.18Å; I72-V113 HydrophobicContact CD1-CG1 3.93Å; I72-V114 PolarHBondContact N-O 3.08Å; I72-W115 HydrophobicContact CB-CD2 4.35Å; I72-W115 HydrophobicContact CB-CE3 3.91Å; I72-W115 HydrophobicContact CB-CH2 4.38Å; I72-W115 HydrophobicContact CB-CZ3 3.93Å; I72-W115 HydrophobicContact CD1-CH2 3.69Å; I72-W115 HydrophobicContact CD1-CZ2 3.71Å; I72-W115 HydrophobicContact CD1-CZ3 4.14Å; I72-W115 HydrophobicContact CG2-CE3 3.78Å; I72-W115 HydrophobicContact CG2-CH2 4.01Å; I72-W115 HydrophobicContact CG2-CZ3 3.4Å; I72-W115 CarbonylContact O-C 3.54Å; I72-W115 WeakPolarHBondContact O-CA 3.31Å; I72-V116 PolarHBondContact O-N 3.06Å; I72-W246 HydrophobicContact CG2-CE3 4.45Å; I72-W246 HydrophobicContact CG2-CZ3 4.25Å; I72-A274 HydrophobicContact CD1-CB 4.26Å
73G97.9Very high93.6Very high18 Ų1876.8 Ų76.819%0.18640%0.403CS..EExtended strand (participates in β ladder)trans-103.5162.7177.200000112.6V116G73-V116 WeakPolarHBondContact CA-O 3.39Å
74E97.6Very high93.3Very high38 Ų3879.7 Ų79.718%0.17841%0.41CS..SBendtrans-62.8-47.6174.3173.7164.4173.800113.3K40 V116 W246K40-E74 IonicContact NZ-OE1 3.15Å; K40-E74 PolarHBondContact NZ-OE1 2.65Å; E74-V116 PolarHBondContact N-O 3.39Å; E74-W246 VanDerWaalsContact CA-CZ2 3.49Å; E74-W246 HydrophobicContact CB-CD2 4.03Å; E74-W246 HydrophobicContact CB-CG 4.19Å; E74-W246 HydrophobicContact CB-CZ2 3.86Å; E74-W246 HydrophobicContact CG-CZ2 3.74Å; E74-W246 PolarHBondContact OE2-NE1 2.88Å; E74-W246 VanDerWaalsContact OE2-NE1 3.12Å
75E96.2Very high93.1Very high11 Ų1177.5 Ų77.55%0.05141%0.409CS..SBendtrans-85.6131.6-165.5-55.5-58.5169.400111.2K40 Q47 D51 Q55 L77 P118K40-E75 IonicContact NZ-OE1 2.92Å; K40-E75 PolarHBondContact NZ-OE1 3.24Å; K40-E75 IonicContact NZ-OE2 2.68Å; K40-E75 PolarHBondContact NZ-OE2 2.87Å; Q47-E75 HydrophobicContact CG-CG 4.49Å; Q47-E75 PolarHBondContact NE2-OE2 3.42Å; D51-E75 HydrophobicContact CB-CG 4.2Å; Q55-E75 PolarHBondContact NE2-O 3.17Å; E75-L77 HydrophobicContact CB-CD1 4.17Å; E75-L77 HydrophobicContact CB-CD2 4Å; E75-L77 HydrophobicContact CB-CG 3.83Å; E75-L77 PolarHBondContact O-N 2.91Å; E75-P118 HydrophobicContact CG-CG 4Å
76D93.5Very high92.9Very high161 Ų16174.3 Ų74.386%0.86140%0.398SS*.  trans-80.2100.6171.5-170.817.5000108.8
77L91.5Very high92.8Very high38 Ų3875.1 Ų75.120%0.19940%0.402CS..  trans-117.7142.6-174.3-59-179.9000110.9R52 Q55 K56 E75R52-L77 HydrophobicContact CB-CD2 4.24Å; R52-L77 HydrophobicContact CG-CD2 3.85Å; Q55-L77 HydrophobicContact CB-CD1 3.96Å; Q55-L77 HydrophobicContact CG-CD1 4.36Å; K56-L77 HydrophobicContact CG-CD1 3.99Å; E75-L77 HydrophobicContact CB-CD1 4.17Å; E75-L77 HydrophobicContact CB-CD2 4Å; E75-L77 HydrophobicContact CB-CG 3.83Å; E75-L77 PolarHBondContact O-N 2.91Å
78P85.7Confident92.8Very high80 Ų8073.2 Ų73.252%0.51939%0.385SS..  trans-62.9146.1173.828.4-35.1000110.8E80P78-E80 HydrophobicContact CB-CG 4.14Å; P78-E80 HydrophobicContact CG-CG 4.09Å; P78-E80 WeakPolarHBondContact CG-OE1 3.36Å; P78-E80 PolarHBondContact O-N 2.89Å
79C77.9Confident92.7Very high142 Ų14270.7 Ų70.796%0.95938%0.377SS*.  trans-72.599.1173-174.70000109.4
80E82.4Confident92.7Very high110 Ų11071.3 Ų71.351%0.51439%0.386SS..  trans-125.7153.8-178.7-66.9175.6167.300110.6K56 P78 V82K56-E80 IonicContact NZ-OE2 2.86Å; K56-E80 PolarHBondContact NZ-OE2 3.21Å; P78-E80 HydrophobicContact CB-CG 4.14Å; P78-E80 HydrophobicContact CG-CG 4.09Å; P78-E80 WeakPolarHBondContact CG-OE1 3.36Å; P78-E80 PolarHBondContact O-N 2.89Å; E80-V82 PolarHBondContact O-N 3.34Å
81E82.3Confident92.6Very high198 Ų19870.3 Ų70.393%0.92538%0.377SS*.PPolyproline II helixtrans-61.9129.4171.8-73.9-174170.800110.5
82V90.1Very high92.6Very high42 Ų4269.1 Ų69.126%0.25537%0.373SS..PPolyproline II helixtrans-93.3131177.1178.60000108.6K56 A60 E80 M86 I87K56-V82 HydrophobicContact CB-CG2 4.14Å; A60-V82 HydrophobicContact CB-CB 3.86Å; A60-V82 HydrophobicContact CB-CG1 4.05Å; A60-V82 HydrophobicContact CB-CG2 3.74Å; E80-V82 PolarHBondContact O-N 3.34Å; V82-M86 HydrophobicContact CG1-CB 3.67Å; V82-I87 HydrophobicContact CB-CD1 4.16Å; V82-I87 HydrophobicContact CG1-CD1 3.75Å
83Q90.3Very high92.5Very high140 Ų14073.7 Ų73.765%0.65439%0.394SS*.PPolyproline II helixtrans-61.1142179.2-61.2179.77.100110.7D85 M86Q83-D85 WeakPolarHBondContact CB-OD1 3.41Å; Q83-D85 PolarHBondContact O-N 2.65Å; Q83-M86 HydrophobicContact CB-CG 4.44Å; Q83-M86 WeakPolarHBondContact O-CB 3.45Å; Q83-M86 PolarHBondContact O-N 2.9Å
84E91.7Very high92.4Very high114 Ų11478 Ų7853%0.53341%0.409SS..G310 helixtrans-61.2-29.5-173.9-169.766.9-171.500112.7R64 M86 I87R64-E84 IonicContact CZ-OE1 3.95Å; R64-E84 IonicContact CZ-OE2 3.86Å; R64-E84 IonicContact NH1-OE1 2.89Å; R64-E84 PolarHBondContact NH1-OE1 3.47Å; R64-E84 IonicContact NH1-OE2 3.09Å; R64-E84 PolarHBondContact NH1-OE2 3.38Å; R64-E84 IonicContact NH2-OE1 3.39Å; R64-E84 PolarHBondContact NH2-OE1 3.34Å; R64-E84 VanDerWaalsContact NH2-OE1 3.09Å; E84-M86 PolarHBondContact O-N 3Å; E84-I87 WeakPolarHBondContact O-CB 3.21Å; E84-I87 PolarHBondContact O-N 3.36Å; E84-I87 VanDerWaalsContact O-N 3.12Å
85D92.3Very high92.4Very high88 Ų8876.2 Ų76.247%0.47140%0.401SS..G310 helixtrans-69.7-15.8176.573.2-46.6000113.4K21 Q83K21-D85 VanDerWaalsContact CE-O 3.22Å; K21-D85 WeakPolarHBondContact CE-O 3.49Å; K21-D85 PolarHBondContact NZ-O 3.31Å; Q83-D85 WeakPolarHBondContact CB-OD1 3.41Å; Q83-D85 PolarHBondContact O-N 2.65Å
86M93.3Very high92.5Very high25 Ų2576.9 Ų76.912%0.12341%0.405CS..G310 helixtrans-89.5-9.4173.8-65.7-69.4-72.400112.6I25 L53 S57 V82 Q83 E84I25-M86 HydrophobicContact CD1-CE 3.45Å; I25-M86 VanDerWaalsContact CD1-CE 3.45Å; I25-M86 HydrophobicContact CD1-SD 3.96Å; I25-M86 HydrophobicContact CG1-CE 4.01Å; I25-M86 HydrophobicContact CG1-SD 4.18Å; I25-M86 HydrophobicContact CG2-CE 4.39Å; L53-M86 HydrophobicContact CB-CE 3.82Å; L53-M86 HydrophobicContact CD2-CE 4.19Å; L53-M86 HydrophobicContact CG-CE 4.47Å; L53-M86 WeakPolarHBondContact O-CE 3.46Å; S57-M86 WeakPolarHBondContact CB-O 3.16Å; S57-M86 PolarHBondContact OG-O 3.17Å; V82-M86 HydrophobicContact CG1-CB 3.67Å; Q83-M86 HydrophobicContact CB-CG 4.44Å; Q83-M86 WeakPolarHBondContact O-CB 3.45Å; Q83-M86 PolarHBondContact O-N 2.9Å; E84-M86 PolarHBondContact O-N 3Å
87I96.6Very high92.6Very high18 Ų1876.7 Ų76.79%0.09240%0.399CS..  trans-88127.6178.7-54.5-59.5000110.2A60 V82 E84A60-I87 HydrophobicContact CB-CD1 3.39Å; V82-I87 HydrophobicContact CB-CD1 4.16Å; V82-I87 HydrophobicContact CG1-CD1 3.75Å; E84-I87 WeakPolarHBondContact O-CB 3.21Å; E84-I87 PolarHBondContact O-N 3.36Å; E84-I87 VanDerWaalsContact O-N 3.12Å
88E97.9Very high92.9Very high57 Ų5779.2 Ų79.227%0.26641%0.408SS..  trans-102.8122171.2-179.453-107.400110V18 K21 S61 G90V18-E88 HydrophobicContact CG2-CB 4.01Å; V18-E88 HydrophobicContact CG2-CG 4.18Å; K21-E88 HydrophobicContact CB-CB 3.98Å; K21-E88 HydrophobicContact CB-CG 4.24Å; K21-E88 HydrophobicContact CG-CB 4.12Å; S61-E88 WeakPolarHBondContact CB-O 3.48Å; S61-E88 PolarHBondContact OG-N 3.29Å; E88-G90 WeakPolarHBondContact OE1-CA 3.46Å; E88-G90 PolarHBondContact OE1-N 2.85Å
89N96.4Very high93.3Very high73 Ų7380.2 Ų80.239%0.3942%0.417SS..  trans-107.7-7.4-176.8-69-71000112.9
90G97Very high94.3Very high26 Ų2674.2 Ų74.227%0.26838%0.376SS..  trans-68.8165.5-179.100000113.7E88E88-G90 WeakPolarHBondContact OE1-CA 3.46Å; E88-G90 PolarHBondContact OE1-N 2.85Å
91Q97.6Very high95Very high36 Ų3669.7 Ų69.717%0.16836%0.356CS..  trans-141.8140.1172.8-60-166.1-74.100108.3R10 A13 S14 R65 E93 L96R10-Q91 PolarHBondContact O-NE2 3.42Å; A13-Q91 HydrophobicContact CB-CB 4.05Å; A13-Q91 WeakPolarHBondContact O-CA 3.47Å; S14-Q91 VanDerWaalsContact OG-CG 3.3Å; S14-Q91 WeakPolarHBondContact OG-CG 3.19Å; S14-Q91 PolarHBondContact OG-NE2 3.09Å; R65-Q91 VanDerWaalsContact NE-CD 3.27Å; R65-Q91 VanDerWaalsContact NE-NE2 3.14Å; R65-Q91 VanDerWaalsContact NH2-CD 3.34Å; Q91-E93 PolarHBondContact O-N 3.15Å; Q91-E93 VanDerWaalsContact O-N 3.12Å; Q91-L96 HydrophobicContact CB-CD1 3.89Å; Q91-L96 HydrophobicContact CB-CG 4.48Å
92A97.8Very high95.7Very high11 Ų1168.9 Ų68.99%0.09135%0.35CS..  trans-69.3107.3173.500000110.9A13 Y16 S17 E94 I95 L96A13-A92 PolarHBondContact O-N 2.94Å; Y16-A92 HydrophobicContact CD1-CB 3.65Å; Y16-A92 HydrophobicContact CE1-CB 4.31Å; Y16-A92 HydrophobicContact CG-CB 3.91Å; S17-A92 PolarHBondContact OG-N 3.32Å; A92-E94 HydrophobicContact CB-CG 4.36Å; A92-E94 PolarHBondContact O-N 3.49Å; A92-I95 HydrophobicContact CB-CB 4.21Å; A92-I95 HydrophobicContact CB-CD1 3.81Å; A92-I95 HydrophobicContact CB-CG1 3.76Å; A92-I95 WeakPolarHBondContact O-CB 3.34Å; A92-I95 PolarHBondContact O-N 2.96Å; A92-L96 PolarHBondContact O-N 2.65Å
93E97Very high96Very high122 Ų12273.1 Ų73.157%0.5737%0.367SS*.Hα-helixtrans-57.8-36.7179.9-71.6-62156.300112.7Q91 I95 L96 Q97Q91-E93 PolarHBondContact O-N 3.15Å; Q91-E93 VanDerWaalsContact O-N 3.12Å; E93-I95 PolarHBondContact O-N 3.32Å; E93-L96 PolarHBondContact O-N 2.94Å; E93-Q97 VanDerWaalsContact O-CG 3.3Å; E93-Q97 WeakPolarHBondContact O-CG 3.42Å; E93-Q97 PolarHBondContact O-N 3.17Å
94E95.7Very high96.4Very high108 Ų10867 Ų6751%0.50534%0.338SS..Hα-helixtrans-61.1-29.517761.1171.9-14500113.2A92 K98A92-E94 HydrophobicContact CB-CG 4.36Å; A92-E94 PolarHBondContact O-N 3.49Å; E94-K98 WeakPolarHBondContact O-CG 3.35Å
95I98.1Very high96.6Very high0 Ų066.7 Ų66.70%034%0.337CS..Hα-helixtrans-80.2-41.5176.9-57.9-171.9000109.7M9 V12 A13 Y16 A92 E93 Q97 K98 W170M9-I95 HydrophobicContact CE-CG2 3.76Å; M9-I95 VanDerWaalsContact CE-O 3.31Å; M9-I95 WeakPolarHBondContact CE-O 3.31Å; V12-I95 HydrophobicContact CB-CG2 4.28Å; V12-I95 HydrophobicContact CG1-CD1 4.22Å; V12-I95 HydrophobicContact CG1-CG2 3.95Å; A13-I95 HydrophobicContact CB-CB 3.91Å; A13-I95 HydrophobicContact CB-CG2 3.93Å; Y16-I95 HydrophobicContact CD2-CD1 3.84Å; Y16-I95 HydrophobicContact CG-CD1 3.93Å; A92-I95 HydrophobicContact CB-CB 4.21Å; A92-I95 HydrophobicContact CB-CD1 3.81Å; A92-I95 HydrophobicContact CB-CG1 3.76Å; A92-I95 WeakPolarHBondContact O-CB 3.34Å; A92-I95 PolarHBondContact O-N 2.96Å; E93-I95 PolarHBondContact O-N 3.32Å; I95-Q97 PolarHBondContact O-N 3.02Å; I95-K98 WeakPolarHBondContact O-CB 3.22Å; I95-K98 PolarHBondContact O-N 3.03Å; I95-W170 HydrophobicContact CB-CH2 4.48Å; I95-W170 HydrophobicContact CD1-CD2 3.57Å; I95-W170 HydrophobicContact CD1-CE3 4.02Å; I95-W170 HydrophobicContact CD1-CG 3.83Å; I95-W170 HydrophobicContact CD1-CZ2 4.11Å; I95-W170 HydrophobicContact CD1-CZ3 4.46Å; I95-W170 HydrophobicContact CG1-CD2 4.09Å; I95-W170 HydrophobicContact CG1-CE3 4.44Å; I95-W170 HydrophobicContact CG1-CH2 4.05Å; I95-W170 HydrophobicContact CG1-CZ2 3.66Å; I95-W170 HydrophobicContact CG1-CZ3 4.41Å; I95-W170 HydrophobicContact CG2-CE3 4.49Å; I95-W170 HydrophobicContact CG2-CH2 4.2Å; I95-W170 HydrophobicContact CG2-CZ3 4.1Å
96L97.6Very high96.8Very high26 Ų2666.8 Ų66.814%0.13635%0.349CS..Hα-helixtrans-62.7-26.3177.9-66.3179.8000113.2P5 R10 A13 Q91 A92 E93 K98P5-L96 HydrophobicContact CB-CD2 4.32Å; P5-L96 HydrophobicContact CG-CB 4.47Å; P5-L96 HydrophobicContact CG-CD2 4.32Å; R10-L96 HydrophobicContact CG-CD2 4.17Å; A13-L96 HydrophobicContact CB-CD2 3.56Å; A13-L96 HydrophobicContact CB-CG 3.74Å; Q91-L96 HydrophobicContact CB-CD1 3.89Å; Q91-L96 HydrophobicContact CB-CG 4.48Å; A92-L96 PolarHBondContact O-N 2.65Å; E93-L96 PolarHBondContact O-N 2.94Å; L96-K98 VanDerWaalsContact C-N 3.33Å
97Q96.3Very high97Very high157 Ų15766.4 Ų66.473%0.73435%0.348SS*.THydrogen-bonded Turntrans-78.4-13.3176.4-70.3172.319.600113.7E93 I95E93-Q97 VanDerWaalsContact O-CG 3.3Å; E93-Q97 WeakPolarHBondContact O-CG 3.42Å; E93-Q97 PolarHBondContact O-N 3.17Å; I95-Q97 PolarHBondContact O-N 3.02Å
98K96.5Very high97.1Very high90 Ų9071.3 Ų71.339%0.39137%0.368SS..SBendtrans-78.6142.2178.1-60.8-76.1-174.9176.50110.4M9 E94 I95 L96 C100 W170 L175M9-K98 HydrophobicContact CE-CB 3.82Å; E94-K98 WeakPolarHBondContact O-CG 3.35Å; I95-K98 WeakPolarHBondContact O-CB 3.22Å; I95-K98 PolarHBondContact O-N 3.03Å; L96-K98 VanDerWaalsContact C-N 3.33Å; K98-C100 PolarHBondContact O-N 2.9Å; K98-W170 HydrophobicContact CG-CH2 4.21Å; K98-L175 HydrophobicContact CB-CD2 3.98Å; K98-L175 HydrophobicContact CG-CD2 4.28Å
99S95.7Very high97.1Very high102 Ų10270.3 Ų70.371%0.71336%0.364SS*.PPolyproline II helixtrans-69.3131.1172.4-54.60000110.4
100C97.5Very high97.2Very high15 Ų1571.3 Ų71.310%0.10137%0.366CS..PPolyproline II helixtrans-65137.7172.5-166.40000109.5A6 M9 K98 K102 E105A6-C100 HydrophobicContact CB-CB 3.73Å; M9-C100 HydrophobicContact CG-CB 3.65Å; M9-C100 HydrophobicContact SD-CB 4.38Å; K98-C100 PolarHBondContact O-N 2.9Å; C100-K102 PolarHBondContact O-N 3.34Å; C100-E105 HydrophobicContact CB-CG 3.92Å
101P97.8Very high97.3Very high15 Ų1573.7 Ų73.710%0.09737%0.37CS..PPolyproline II helixtrans-55.3135.3166.4-2534.6000110.9E103 Y104 E105 V172 L173 L175P101-E103 HydrophobicContact CB-CG 4.25Å; P101-E103 PolarHBondContact O-N 3.26Å; P101-E103 VanDerWaalsContact O-N 3.09Å; P101-Y104 HydrophobicContact CB-CD2 3.9Å; P101-Y104 HydrophobicContact CB-CE2 4.28Å; P101-Y104 HydrophobicContact CG-CD2 4.04Å; P101-Y104 HydrophobicContact CG-CE2 4.39Å; P101-Y104 PolarHBondContact O-N 3.49Å; P101-E105 PolarHBondContact O-N 2.7Å; P101-V172 HydrophobicContact CG-CG1 4.1Å; P101-L173 VanDerWaalsContact CG-O 3.3Å; P101-L173 WeakPolarHBondContact CG-O 3.43Å; P101-L175 HydrophobicContact CG-CB 4.28Å
102K96.8Very high97.3Very high181 Ų18172 Ų7279%0.78736%0.362SS*.G310 helixtrans-53.5-36.6-172.7-69.6-173.7178.2-178.80114C100 Y104 E105C100-K102 PolarHBondContact O-N 3.34Å; K102-Y104 PolarHBondContact O-N 3.18Å; K102-E105 PolarHBondContact O-N 3.45Å
103E96.6Very high97.4Very high131 Ų13172.2 Ų72.261%0.61236%0.363SS*.G310 helixtrans-63.7-18.9178.155.9-172.3-97.700113.9P101P101-E103 HydrophobicContact CB-CG 4.25Å; P101-E103 PolarHBondContact O-N 3.26Å; P101-E103 VanDerWaalsContact O-N 3.09Å
104Y97.7Very high97.5Very high12 Ų1266.4 Ų66.45%0.04734%0.335CS..G310 helixtrans-112.9-1.9-178.1-52.3-35.5000113.9P101 K102 A106 L107 I146 V172 L173P101-Y104 HydrophobicContact CB-CD2 3.9Å; P101-Y104 HydrophobicContact CB-CE2 4.28Å; P101-Y104 HydrophobicContact CG-CD2 4.04Å; P101-Y104 HydrophobicContact CG-CE2 4.39Å; P101-Y104 PolarHBondContact O-N 3.49Å; K102-Y104 PolarHBondContact O-N 3.18Å; Y104-A106 VanDerWaalsContact C-N 3.31Å; Y104-A106 PolarHBondContact O-N 2.91Å; Y104-L107 HydrophobicContact CD1-CD1 3.96Å; Y104-L107 HydrophobicContact CG-CD1 4.36Å; Y104-L107 PolarHBondContact O-N 3.49Å; Y104-I146 HydrophobicContact CD1-CD1 4.26Å; Y104-I146 HydrophobicContact CE1-CB 4.25Å; Y104-I146 HydrophobicContact CE1-CD1 4.42Å; Y104-I146 HydrophobicContact CE1-CG2 3.85Å; Y104-I146 HydrophobicContact CE2-CB 4.19Å; Y104-I146 HydrophobicContact CG-CD1 4.39Å; Y104-V172 HydrophobicContact CD2-CG1 4.15Å; Y104-V172 HydrophobicContact CE2-CG1 4.21Å; Y104-L173 HydrophobicContact CE2-CB 4.27Å; Y104-L173 WeakPolarHBondContact CE2-O 3.37Å
105E96.3Very high97.6Very high108 Ų10861.3 Ų61.351%0.50531%0.311SS..THydrogen-bonded Turntrans-62.5-35.5-176.3-79.1178.9178.900113.4C100 P101 K102C100-E105 HydrophobicContact CB-CG 3.92Å; P101-E105 PolarHBondContact O-N 2.7Å; K102-E105 PolarHBondContact O-N 3.45Å
106A96.9Very high97.6Very high89 Ų8961.3 Ų61.374%0.73631%0.311SS*.THydrogen-bonded Turntrans-96.62.8-172.600000114.4Y104Y104-A106 VanDerWaalsContact C-N 3.31Å; Y104-A106 PolarHBondContact O-N 2.91Å
107L97.9Very high97.7Very high17 Ų1760.1 Ų60.19%0.08931%0.305CS..  trans-66.6150-177.4-61.6-173.4000111.8V7 V8 Y104 L112 Y141 I146V7-L107 HydrophobicContact CG1-CB 4.08Å; V7-L107 WeakPolarHBondContact CG1-O 3.41Å; V8-L107 HydrophobicContact CG2-CB 4.34Å; V8-L107 HydrophobicContact CG2-CD1 3.86Å; Y104-L107 HydrophobicContact CD1-CD1 3.96Å; Y104-L107 HydrophobicContact CG-CD1 4.36Å; Y104-L107 PolarHBondContact O-N 3.49Å; L107-L112 HydrophobicContact CD1-CD2 4.12Å; L107-Y141 HydrophobicContact CD1-CD1 3.84Å; L107-Y141 HydrophobicContact CD1-CD2 3.9Å; L107-Y141 HydrophobicContact CD1-CE1 4.23Å; L107-Y141 HydrophobicContact CD1-CE2 4.29Å; L107-Y141 HydrophobicContact CD1-CG 3.66Å; L107-Y141 HydrophobicContact CD2-CD1 4.14Å; L107-Y141 HydrophobicContact CD2-CD2 3.88Å; L107-Y141 HydrophobicContact CD2-CE1 3.68Å; L107-Y141 HydrophobicContact CD2-CE2 3.39Å; L107-Y141 HydrophobicContact CD2-CG 4.23Å; L107-Y141 HydrophobicContact CG-CE2 4.45Å; L107-I146 HydrophobicContact CD1-CD1 4.24Å
108K98.1Very high97.8Very high122 Ų12252.6 Ų52.653%0.5327%0.27SS..  trans-107.8159.9174.1-57.7176.3-173.9171.70110.9E110 E111K108-E110 VanDerWaalsContact C-N 3.32Å; K108-E110 HydrophobicContact CB-CG 4.22Å; K108-E110 PolarHBondContact O-N 3.37Å; K108-E111 HydrophobicContact CB-CG 4.38Å; K108-E111 WeakPolarHBondContact CB-OE2 3.36Å; K108-E111 PolarHBondContact N-OE2 2.97Å; K108-E111 PolarHBondContact O-N 3.37Å
109E98.1Very high97.9Very high35 Ų3548.3 Ų48.316%0.16425%0.252CS..G310 helixtrans-57.5-44.3-179.9-71.6-178.8-165.100112.1V7 F66 K68 V69 E111 L112V7-E109 HydrophobicContact CG2-CB 4.41Å; V7-E109 HydrophobicContact CG2-CG 3.36Å; F66-E109 WeakPolarHBondContact CA-OE2 3.38Å; F66-E109 HydrophobicContact CD1-CG 4.23Å; K68-E109 HydrophobicContact CB-CB 3.74Å; V69-E109 HydrophobicContact CG2-CB 3.97Å; V69-E109 HydrophobicContact CG2-CG 4.37Å; V69-E109 WeakPolarHBondContact CG2-O 3.37Å; E109-E111 PolarHBondContact O-N 3.36Å; E109-E111 VanDerWaalsContact O-N 3.11Å; E109-L112 PolarHBondContact O-N 3.31Å; E109-L112 VanDerWaalsContact O-N 3.12Å
110E98.3Very high98Very high95 Ų9544 Ų4444%0.44422%0.22SC..G310 helixtrans-65.1-10.9-179.657.8-96.3-143.900115.2K68 K108K68-E110 HydrophobicContact CB-CB 4.24Å; K68-E110 VanDerWaalsContact CD-OE2 3.29Å; K68-E110 WeakPolarHBondContact CD-OE2 3.33Å; K68-E110 IonicContact NZ-OE2 2.82Å; K68-E110 WeakPolarHBondContact O-CA 3.22Å; K108-E110 VanDerWaalsContact C-N 3.32Å; K108-E110 HydrophobicContact CB-CG 4.22Å; K108-E110 PolarHBondContact O-N 3.37Å
111E98.4Very high98Very high75 Ų7543.7 Ų43.735%0.3522%0.22SC..G310 helixtrans-92-7.6177.7-61.6178.489.300112.8K108 E109 Y141K108-E111 HydrophobicContact CB-CG 4.38Å; K108-E111 WeakPolarHBondContact CB-OE2 3.36Å; K108-E111 PolarHBondContact N-OE2 2.97Å; K108-E111 PolarHBondContact O-N 3.37Å; E109-E111 PolarHBondContact O-N 3.36Å; E109-E111 VanDerWaalsContact O-N 3.11Å; E111-Y141 HydrophobicContact CB-CD2 4.05Å; E111-Y141 HydrophobicContact CB-CE2 3.95Å
112L98.8Very high97.9Very high0 Ų043.6 Ų43.60%022%0.219CC..EExtended strand (participates in β ladder)trans-101.7140.2-173.8-59175.5000111.3V7 V8 L11 V69 T70 L107 E109 I139 A140 Y141 I146V7-L112 HydrophobicContact CG1-CD1 4.11Å; V7-L112 HydrophobicContact CG2-CD1 4.5Å; V8-L112 HydrophobicContact CG2-CD1 4.33Å; V8-L112 HydrophobicContact CG2-CD2 4.39Å; L11-L112 HydrophobicContact CD2-CD1 3.75Å; V69-L112 HydrophobicContact CG1-CB 4.41Å; V69-L112 HydrophobicContact CG2-CB 4.31Å; T70-L112 PolarHBondContact N-O 2.91Å; T70-L112 VanDerWaalsContact N-O 3.15Å; L107-L112 HydrophobicContact CD1-CD2 4.12Å; E109-L112 PolarHBondContact O-N 3.31Å; E109-L112 VanDerWaalsContact O-N 3.12Å; L112-I139 HydrophobicContact CD2-CG2 4.38Å; L112-A140 WeakPolarHBondContact CA-O 3.41Å; L112-Y141 HydrophobicContact CD2-CD2 4.5Å; L112-I146 HydrophobicContact CD2-CD1 4.21Å
113V98.9Very high97.8Very high17 Ų1737 Ų3710%0.10319%0.19CC..EExtended strand (participates in β ladder)trans-119126.4172.1-1740000108.4T70 I72 A140 A274T70-V113 HydrophobicContact CG2-CG1 4.35Å; T70-V113 CarbonylContact O-C 3.38Å; T70-V113 WeakPolarHBondContact O-CA 3.09Å; I72-V113 HydrophobicContact CD1-CG1 3.93Å; V113-A140 HydrophobicContact CB-CB 4.46Å; V113-A140 PolarHBondContact N-O 3.25Å; V113-A140 PolarHBondContact O-N 3.41Å; V113-A274 HydrophobicContact CG2-CB 4.19Å
114V98.9Very high97.8Very high0 Ų031 Ų310%016%0.163CC..EExtended strand (participates in β ladder)trans-105.1126176.31770000109L11 L62 V69 T70 I71 I72 V116 I137 G138 I139L11-V114 HydrophobicContact CD2-CG2 4.01Å; L62-V114 HydrophobicContact CD1-CG1 4.17Å; V69-V114 HydrophobicContact CG1-CB 4.24Å; V69-V114 HydrophobicContact CG1-CG2 3.48Å; V69-V114 VanDerWaalsContact CG1-CG2 3.48Å; T70-V114 PolarHBondContact O-N 2.94Å; I71-V114 CarbonylContact C-O 3.57Å; I71-V114 WeakPolarHBondContact CA-O 3.35Å; I71-V114 HydrophobicContact CG1-CB 4.27Å; I71-V114 HydrophobicContact CG2-CB 4.39Å; I71-V114 HydrophobicContact CG2-CG1 4.35Å; I72-V114 PolarHBondContact N-O 3.08Å; V114-V116 HydrophobicContact CG1-CG2 3.88Å; V114-I137 HydrophobicContact CG1-CG2 3.66Å; V114-G138 CarbonylContact C-O 3.56Å; V114-G138 VanDerWaalsContact CA-O 3.25Å; V114-G138 WeakPolarHBondContact CA-O 3.38Å; V114-I139 HydrophobicContact CG2-CG1 4.24Å
115W98.9Very high97.8Very high0 Ų030.5 Ų30.50%016%0.161CC..EExtended strand (participates in β ladder)trans-106.3125.1175.5-69.688.4000109.2I72 G138 K245 W246 C249 Y272 I276 H278I72-W115 HydrophobicContact CB-CD2 4.35Å; I72-W115 HydrophobicContact CB-CE3 3.91Å; I72-W115 HydrophobicContact CB-CH2 4.38Å; I72-W115 HydrophobicContact CB-CZ3 3.93Å; I72-W115 HydrophobicContact CD1-CH2 3.69Å; I72-W115 HydrophobicContact CD1-CZ2 3.71Å; I72-W115 HydrophobicContact CD1-CZ3 4.14Å; I72-W115 HydrophobicContact CG2-CE3 3.78Å; I72-W115 HydrophobicContact CG2-CH2 4.01Å; I72-W115 HydrophobicContact CG2-CZ3 3.4Å; I72-W115 CarbonylContact O-C 3.54Å; I72-W115 WeakPolarHBondContact O-CA 3.31Å; W115-G138 PolarHBondContact N-O 2.89Å; W115-G138 PolarHBondContact O-N 3.3Å; W115-K245 HydrophobicContact CD2-CB 3.72Å; W115-K245 HydrophobicContact CE3-CB 3.52Å; W115-K245 HydrophobicContact CH2-CB 3.79Å; W115-K245 HydrophobicContact CH2-CG 4.03Å; W115-K245 HydrophobicContact CZ2-CB 3.97Å; W115-K245 HydrophobicContact CZ2-CG 4.2Å; W115-K245 HydrophobicContact CZ3-CB 3.56Å; W115-K245 HydrophobicContact CZ3-CG 4.23Å; W115-W246 HydrophobicContact CB-CB 4.45Å; W115-W246 AromaticContact CE3-CE3 3.79Å; W115-W246 HydrophobicContact CE3-CE3 3.79Å; W115-W246 AromaticContact CZ3-CE3 3.78Å; W115-W246 HydrophobicContact CZ3-CE3 3.78Å; W115-W246 HydrophobicContact CZ3-CZ3 4.08Å; W115-C249 HydrophobicContact CB-CB 3.85Å; W115-C249 HydrophobicContact CG-CB 4.14Å; W115-Y272 PolarHBondContact NE1-O 3.23Å; W115-I276 HydrophobicContact CH2-CG2 4Å; W115-I276 HydrophobicContact CZ2-CG2 3.75Å; W115-H278 AromaticContact CH2-CD2 3.62Å; W115-H278 AromaticContact CZ3-CD2 3.8Å
116V98.9Very high97.8Very high0 Ų027.1 Ų27.10%015%0.147CC..EExtended strand (participates in β ladder)trans-119.1121.5-173.9-178.90000110.4I58 I71 I72 G73 E74 V114 L136 W246I58-V116 HydrophobicContact CB-CG1 4.27Å; I58-V116 HydrophobicContact CD1-CG1 3.73Å; I58-V116 HydrophobicContact CG2-CG1 3.84Å; I58-V116 HydrophobicContact CG2-CG2 3.81Å; I71-V116 HydrophobicContact CG2-CG2 3.9Å; I72-V116 PolarHBondContact O-N 3.06Å; G73-V116 WeakPolarHBondContact CA-O 3.39Å; E74-V116 PolarHBondContact N-O 3.39Å; V114-V116 HydrophobicContact CG1-CG2 3.88Å; V116-L136 WeakPolarHBondContact CA-O 3.37Å; V116-W246 WeakPolarHBondContact O-CB 3.48Å
117D98.8Very high97.8Very high1 Ų126.8 Ų26.81%0.00513%0.131CC..EExtended strand (participates in β ladder)trans-105.7107.4159.2-169.9-32.2000107.3L119 D120 L136 W246D117-L119 VanDerWaalsContact C-N 3.26Å; D117-L119 PolarHBondContact O-N 3.3Å; D117-L119 PolarHBondContact OD1-N 3.23Å; D117-L119 VanDerWaalsContact OD1-N 3.12Å; D117-D120 PolarHBondContact OD1-N 2.77Å; D117-D120 WeakPolarHBondContact OD2-CB 3.29Å; D117-L136 HydrophobicContact CB-CB 3.85Å; D117-L136 HydrophobicContact CB-CD1 3.92Å; D117-L136 HydrophobicContact CB-CG 3.94Å; D117-L136 PolarHBondContact N-O 2.84Å; D117-L136 PolarHBondContact O-N 2.86Å; D117-W246 HydrophobicContact CB-CB 4.12Å
118P98.5Very high97.7Very high0 Ų028 Ų280%015%0.146CC..EExtended strand (participates in β ladder)trans-71.8-22.3-173.232.2-37.6000113.2D51 A54 Q55 E75D51-P118 HydrophobicContact CB-CG 4.32Å; D51-P118 WeakPolarHBondContact O-CB 3.13Å; A54-P118 HydrophobicContact CB-CB 3.93Å; Q55-P118 HydrophobicContact CB-CB 3.68Å; Q55-P118 HydrophobicContact CB-CG 3.92Å; Q55-P118 HydrophobicContact CG-CB 4.44Å; Q55-P118 HydrophobicContact CG-CG 4.48Å; E75-P118 HydrophobicContact CG-CG 4Å
119L98.4Very high97.6Very high0 Ų024.5 Ų24.50%013%0.134CC..EExtended strand (participates in β ladder)trans-161.886.3178.7-166.5163.4000109V26 A50 D51 D117 T122 Y125 V133 T134V26-L119 HydrophobicContact CG1-CD1 4.05Å; V26-L119 HydrophobicContact CG2-CD1 4.11Å; A50-L119 HydrophobicContact CB-CD1 3.44Å; A50-L119 VanDerWaalsContact CB-CD1 3.44Å; D51-L119 HydrophobicContact CB-CB 4.4Å; D117-L119 VanDerWaalsContact C-N 3.26Å; D117-L119 PolarHBondContact O-N 3.3Å; D117-L119 PolarHBondContact OD1-N 3.23Å; D117-L119 VanDerWaalsContact OD1-N 3.12Å; L119-T122 VanDerWaalsContact CD2-CA 3.42Å; L119-T122 HydrophobicContact CD2-CG2 4.3Å; L119-T122 PolarHBondContact O-OG1 3.42Å; L119-Y125 HydrophobicContact CD1-CD1 3.89Å; L119-Y125 HydrophobicContact CD1-CE1 4.03Å; L119-Y125 HydrophobicContact CD1-CG 4.2Å; L119-Y125 HydrophobicContact CD2-CD1 4.42Å; L119-Y125 HydrophobicContact CD2-CG 4.26Å; L119-V133 HydrophobicContact CD2-CG1 3.73Å; L119-V133 HydrophobicContact CG-CG1 3.77Å; L119-T134 CarbonylContact C-O 3.57Å; L119-T134 WeakPolarHBondContact CA-O 3.4Å
120D98.3Very high97.5Very high10 Ų1023.8 Ų23.85%0.05313%0.131CC..EExtended strand (participates in β ladder)trans-72.7129.1172.4171.440.7000109D117 V133 T134 L136 G220 A221 G222D117-D120 PolarHBondContact OD1-N 2.77Å; D117-D120 WeakPolarHBondContact OD2-CB 3.29Å; D120-V133 WeakPolarHBondContact O-CA 3.42Å; D120-T134 PolarHBondContact N-O 2.9Å; D120-T134 PolarHBondContact O-N 3.37Å; D120-T134 PolarHBondContact OD2-OG1 2.78Å; D120-L136 HydrophobicContact CB-CD1 3.8Å; D120-L136 HydrophobicContact CB-CG 3.97Å; D120-G220 VanDerWaalsContact OD1-CA 3.29Å; D120-G220 WeakPolarHBondContact OD1-CA 3.44Å; D120-G220 WeakPolarHBondContact OD2-CA 3.41Å; D120-A221 VanDerWaalsContact CG-N 3.28Å; D120-A221 PolarHBondContact OD1-N 3.4Å; D120-A221 PolarHBondContact OD2-N 3.34Å; D120-G222 PolarHBondContact OD2-N 3.43Å
121G96.7Very high97.1Very high9 Ų922.2 Ų22.29%0.09313%0.125CC..THydrogen-bonded Turntrans90.531.8-174.900000114.7K123 E124 Y125G121-K123 VanDerWaalsContact C-N 3.26Å; G121-K123 PolarHBondContact O-N 2.9Å; G121-E124 PolarHBondContact O-N 3.33Å; G121-E124 VanDerWaalsContact O-N 3.1Å; G121-Y125 PolarHBondContact O-N 2.85Å
122T96.4Very high97.1Very high13 Ų1319 Ų198%0.0811%0.111CC..Hα-helixtrans-52.1-39.5178.9-39.40000113.7L46 T48 D51 L119 Y125 T126L46-T122 HydrophobicContact CB-CG2 4.24Å; L46-T122 WeakPolarHBondContact O-CG2 3.19Å; T48-T122 HydrophobicContact CG2-CG2 3.71Å; D51-T122 VanDerWaalsContact OD1-CG2 3.24Å; D51-T122 WeakPolarHBondContact OD1-CG2 3.38Å; D51-T122 PolarHBondContact OD1-OG1 3.15Å; D51-T122 WeakPolarHBondContact OD2-CG2 3.47Å; L119-T122 VanDerWaalsContact CD2-CA 3.42Å; L119-T122 HydrophobicContact CD2-CG2 4.3Å; L119-T122 PolarHBondContact O-OG1 3.42Å; T122-Y125 WeakPolarHBondContact O-CB 3.31Å; T122-Y125 PolarHBondContact O-N 2.83Å; T122-T126 WeakPolarHBondContact O-CG2 2.95Å; T122-T126 PolarHBondContact O-N 2.75Å
123K94.9Very high97Very high43 Ų4319 Ų1919%0.18711%0.111CC..Hα-helixtrans-61.2-51.7176.7-177.960171.6-171.50111A43 L46 G121 Y125 T126 E127A43-K123 PolarHBondContact O-NZ 3.28Å; L46-K123 HydrophobicContact CD1-CD 3.77Å; L46-K123 HydrophobicContact CG-CD 4.48Å; G121-K123 VanDerWaalsContact C-N 3.26Å; G121-K123 PolarHBondContact O-N 2.9Å; K123-Y125 VanDerWaalsContact C-N 3.29Å; K123-Y125 PolarHBondContact O-N 2.81Å; K123-T126 PolarHBondContact O-N 3.36Å; K123-T126 VanDerWaalsContact O-N 3.14Å; K123-T126 PolarHBondContact O-OG1 3.1Å; K123-E127 WeakPolarHBondContact CE-OE1 3.04Å; K123-E127 PolarHBondContact O-N 3.42Å; K123-E127 VanDerWaalsContact O-N 3.14Å
124E96.8Very high97Very high6 Ų618.2 Ų18.23%0.02811%0.106CC..Hα-helixtrans-63.8-33.7178.2-75.573.4-153.200112.6G121 E127 G128 L129 N132 S197 G219G121-E124 PolarHBondContact O-N 3.33Å; G121-E124 VanDerWaalsContact O-N 3.1Å; E124-E127 CarbonylContact O-C 3.52Å; E124-E127 PolarHBondContact O-N 3.31Å; E124-E127 VanDerWaalsContact O-N 3.16Å; E124-G128 PolarHBondContact O-N 3.01Å; E124-G128 VanDerWaalsContact O-N 3.17Å; E124-L129 HydrophobicContact CB-CB 3.97Å; E124-L129 HydrophobicContact CG-CB 4.35Å; E124-L129 HydrophobicContact CG-CD1 4.12Å; E124-L129 PolarHBondContact O-N 3.35Å; E124-N132 HydrophobicContact CB-CB 3.96Å; E124-N132 HydrophobicContact CG-CB 4.23Å; E124-S197 PolarHBondContact OE1-OG 3.26Å; E124-G219 WeakPolarHBondContact OE2-CA 3.4Å
125Y97.4Very high97Very high1 Ų118.2 Ų18.20%0.00411%0.106CC..Hα-helixtrans-58.5-45.9171.3-179.9-116.3000111.9V26 L30 L35 T48 A50 L119 G121 T122 K123 E127 G128 L130 V133 F154V26-Y125 HydrophobicContact CG1-CD2 4.46Å; V26-Y125 HydrophobicContact CG1-CE2 3.86Å; V26-Y125 PolarHBondContact O-OH 2.95Å; L30-Y125 WeakPolarHBondContact CA-OH 3.28Å; L30-Y125 HydrophobicContact CB-CE2 3.97Å; L30-Y125 WeakPolarHBondContact CB-OH 3.44Å; L30-Y125 HydrophobicContact CD1-CD2 4.47Å; L30-Y125 HydrophobicContact CD1-CE2 3.8Å; L30-Y125 HydrophobicContact CD2-CE2 4.41Å; L30-Y125 HydrophobicContact CG-CE2 4.27Å; L30-Y125 PolarHBondContact N-OH 2.82Å; L35-Y125 HydrophobicContact CD2-CE1 3.75Å; T48-Y125 HydrophobicContact CG2-CD1 4.13Å; T48-Y125 HydrophobicContact CG2-CE1 4.36Å; A50-Y125 HydrophobicContact CB-CE1 3.97Å; L119-Y125 HydrophobicContact CD1-CD1 3.89Å; L119-Y125 HydrophobicContact CD1-CE1 4.03Å; L119-Y125 HydrophobicContact CD1-CG 4.2Å; L119-Y125 HydrophobicContact CD2-CD1 4.42Å; L119-Y125 HydrophobicContact CD2-CG 4.26Å; G121-Y125 PolarHBondContact O-N 2.85Å; T122-Y125 WeakPolarHBondContact O-CB 3.31Å; T122-Y125 PolarHBondContact O-N 2.83Å; K123-Y125 VanDerWaalsContact C-N 3.29Å; K123-Y125 PolarHBondContact O-N 2.81Å; Y125-E127 VanDerWaalsContact C-N 3.25Å; Y125-E127 PolarHBondContact O-N 3.37Å; Y125-G128 PolarHBondContact O-N 2.99Å; Y125-L130 HydrophobicContact CD2-CD2 4.12Å; Y125-V133 HydrophobicContact CD2-CG2 4.03Å; Y125-V133 HydrophobicContact CG-CG2 4.28Å; Y125-F154 HydrophobicContact CD2-CE2 4.13Å; Y125-F154 AromaticContact CE2-CE2 3.87Å; Y125-F154 HydrophobicContact CE2-CE2 3.87Å; Y125-F154 AromaticContact CE2-CZ 3.95Å; Y125-F154 HydrophobicContact CE2-CZ 3.95Å
126T96.1Very high97Very high37 Ų3718.2 Ų18.223%0.22711%0.106CC..Hα-helixtrans-68.1-22.9176.365.40000113.7L35 I37 L46 T48 T122 K123L35-T126 HydrophobicContact CD1-CG2 4.37Å; I37-T126 HydrophobicContact CD1-CG2 3.69Å; I37-T126 HydrophobicContact CG1-CG2 4.06Å; L46-T126 HydrophobicContact CD1-CG2 4.02Å; T48-T126 HydrophobicContact CG2-CG2 3.75Å; T122-T126 WeakPolarHBondContact O-CG2 2.95Å; T122-T126 PolarHBondContact O-N 2.75Å; K123-T126 PolarHBondContact O-N 3.36Å; K123-T126 VanDerWaalsContact O-N 3.14Å; K123-T126 PolarHBondContact O-OG1 3.1Å
127E95.7Very high97Very high82 Ų8218.2 Ų18.238%0.38311%0.106SC..THydrogen-bonded Turntrans-87.4-2175.8-68.2-178.4-169.400113.2K123 E124 Y125 L129 R196K123-E127 WeakPolarHBondContact CE-OE1 3.04Å; K123-E127 PolarHBondContact O-N 3.42Å; K123-E127 VanDerWaalsContact O-N 3.14Å; E124-E127 CarbonylContact O-C 3.52Å; E124-E127 PolarHBondContact O-N 3.31Å; E124-E127 VanDerWaalsContact O-N 3.16Å; Y125-E127 VanDerWaalsContact C-N 3.25Å; Y125-E127 PolarHBondContact O-N 3.37Å; E127-L129 VanDerWaalsContact C-N 3.29Å; E127-L129 HydrophobicContact CB-CD1 4.24Å; E127-L129 HydrophobicContact CB-CG 4.15Å; E127-L129 PolarHBondContact O-N 2.93Å; E127-R196 IonicContact OE2-CZ 2.97Å; E127-R196 IonicContact OE2-NE 2.65Å; E127-R196 PolarHBondContact OE2-NE 3.15Å; E127-R196 IonicContact OE2-NH2 3.93Å; E127-R196 PolarHBondContact OE2-NH2 2.9Å
128G95.6Very high97Very high41 Ų4118.2 Ų18.242%0.42311%0.106SC..THydrogen-bonded Turntrans74.716.6-176.700000114.2E124 Y125 L130E124-G128 PolarHBondContact O-N 3.01Å; E124-G128 VanDerWaalsContact O-N 3.17Å; Y125-G128 PolarHBondContact O-N 2.99Å; G128-L130 PolarHBondContact O-N 2.92Å; G128-L130 VanDerWaalsContact O-N 3.13Å
129L96.5Very high97.1Very high50 Ų5018.2 Ų18.226%0.26211%0.106SC..  trans-89.363.5176.4-59.6176.1000110.1E124 E127 D131 N132E124-L129 HydrophobicContact CB-CB 3.97Å; E124-L129 HydrophobicContact CG-CB 4.35Å; E124-L129 HydrophobicContact CG-CD1 4.12Å; E124-L129 PolarHBondContact O-N 3.35Å; E127-L129 VanDerWaalsContact C-N 3.29Å; E127-L129 HydrophobicContact CB-CD1 4.24Å; E127-L129 HydrophobicContact CB-CG 4.15Å; E127-L129 PolarHBondContact O-N 2.93Å; L129-D131 VanDerWaalsContact C-N 3.33Å; L129-D131 PolarHBondContact O-N 3.19Å; L129-N132 WeakPolarHBondContact CB-ND2 3.32Å; L129-N132 WeakPolarHBondContact O-CB 3.48Å; L129-N132 PolarHBondContact O-N 3.37Å; L129-N132 PolarHBondContact O-ND2 2.86Å
130L96Very high97.1Very high20 Ų2018.2 Ų18.211%0.10511%0.106CC..G310 helixtrans-66.8-26-160.1-56.3-179.1000115.2L30 Y125 G128 N132 V133 F154 Y157L30-L130 HydrophobicContact CD1-CD2 4.21Å; L30-L130 HydrophobicContact CD2-CD1 3.5Å; L30-L130 HydrophobicContact CD2-CD2 3.54Å; L30-L130 HydrophobicContact CD2-CG 4.17Å; Y125-L130 HydrophobicContact CD2-CD2 4.12Å; G128-L130 PolarHBondContact O-N 2.92Å; G128-L130 VanDerWaalsContact O-N 3.13Å; L130-N132 PolarHBondContact O-N 2.93Å; L130-V133 PolarHBondContact O-N 2.96Å; L130-F154 HydrophobicContact CB-CB 3.75Å; L130-F154 HydrophobicContact CB-CD1 4.05Å; L130-F154 HydrophobicContact CB-CD2 3.82Å; L130-F154 HydrophobicContact CB-CE2 4.43Å; L130-F154 HydrophobicContact CB-CG 3.61Å; L130-F154 HydrophobicContact CD1-CD1 3.81Å; L130-F154 HydrophobicContact CD1-CE1 3.97Å; L130-F154 HydrophobicContact CD1-CG 4.26Å; L130-F154 HydrophobicContact CD2-CD2 4.49Å; L130-F154 HydrophobicContact CD2-CE2 4.28Å; L130-F154 HydrophobicContact CD2-CZ 4.33Å; L130-F154 HydrophobicContact CG-CD1 4.41Å; L130-F154 HydrophobicContact CG-CG 4.4Å; L130-F154 WeakPolarHBondContact O-CD2 3.2Å; L130-Y157 HydrophobicContact CB-CD2 4.41Å; L130-Y157 HydrophobicContact CB-CE2 4.18Å; L130-Y157 HydrophobicContact CD1-CD2 3.96Å; L130-Y157 HydrophobicContact CD1-CE2 4.04Å; L130-Y157 HydrophobicContact CG-CE2 4.38Å
131D91.1Very high97.1Very high61 Ų6121.6 Ų21.633%0.32612%0.118SC..G310 helixtrans-69.8-16.2177.956.2-13.5000113.9L129 V133 Q152 Y157L129-D131 VanDerWaalsContact C-N 3.33Å; L129-D131 PolarHBondContact O-N 3.19Å; D131-V133 VanDerWaalsContact C-N 3.29Å; D131-Q152 PolarHBondContact O-NE2 3.09Å; D131-Y157 HydrophobicContact CB-CE1 3.9Å
132N96.8Very high97.1Very high9 Ų923.9 Ų23.95%0.04814%0.142CC..G310 helixtrans-80.7-11.7177.1-57.5-77.2000113.5E124 L129 L130 V218 N223E124-N132 HydrophobicContact CB-CB 3.96Å; E124-N132 HydrophobicContact CG-CB 4.23Å; L129-N132 WeakPolarHBondContact CB-ND2 3.32Å; L129-N132 WeakPolarHBondContact O-CB 3.48Å; L129-N132 PolarHBondContact O-N 3.37Å; L129-N132 PolarHBondContact O-ND2 2.86Å; L130-N132 PolarHBondContact O-N 2.93Å; N132-V218 WeakPolarHBondContact OD1-CB 3.27Å; N132-N223 WeakPolarHBondContact O-CB 3.47Å; N132-N223 PolarHBondContact OD1-ND2 3.3Å
133V98Very high97.2Very high0 Ų023.5 Ų23.50%014%0.141CC..  trans-87132.1-171-177.20000110.6V26 L119 D120 Y125 L130 D131 P153 F154V26-V133 HydrophobicContact CG1-CG1 4.38Å; L119-V133 HydrophobicContact CD2-CG1 3.73Å; L119-V133 HydrophobicContact CG-CG1 3.77Å; D120-V133 WeakPolarHBondContact O-CA 3.42Å; Y125-V133 HydrophobicContact CD2-CG2 4.03Å; Y125-V133 HydrophobicContact CG-CG2 4.28Å; L130-V133 PolarHBondContact O-N 2.96Å; D131-V133 VanDerWaalsContact C-N 3.29Å; V133-P153 VanDerWaalsContact O-CD 3.26Å; V133-P153 WeakPolarHBondContact O-CD 3.3Å; V133-F154 HydrophobicContact CB-CD2 4.48Å
134T98.9Very high97.4Very high0 Ų030.2 Ų30.20%017%0.165CC..EExtended strand (participates in β ladder)trans-136155.9174.842.20000112.2L119 D120 I150 N151 Q152 I226L119-T134 CarbonylContact C-O 3.57Å; L119-T134 WeakPolarHBondContact CA-O 3.4Å; D120-T134 PolarHBondContact N-O 2.9Å; D120-T134 PolarHBondContact O-N 3.37Å; D120-T134 PolarHBondContact OD2-OG1 2.78Å; T134-I150 HydrophobicContact CG2-CG2 3.67Å; T134-N151 CarbonylContact C-O 3.6Å; T134-N151 WeakPolarHBondContact CA-O 3.43Å; T134-N151 WeakPolarHBondContact CB-O 3.36Å; T134-Q152 HydrophobicContact CG2-CB 4.24Å; T134-Q152 HydrophobicContact CG2-CG 4.33Å; T134-I226 HydrophobicContact CG2-CD1 3.98Å
135V98.9Very high97.5Very high0 Ų030 Ų300%016%0.164CC..EExtended strand (participates in β ladder)trans-105.8127.7164.5-177.80000107.1A22 V26 I58 I150 N151 P153A22-V135 HydrophobicContact CB-CG1 3.91Å; A22-V135 HydrophobicContact CB-CG2 4.15Å; V26-V135 HydrophobicContact CG2-CG2 4.32Å; I58-V135 HydrophobicContact CD1-CG1 3.66Å; V135-I150 WeakPolarHBondContact O-CA 3.43Å; V135-N151 HydrophobicContact CB-CB 4.16Å; V135-N151 PolarHBondContact N-O 3.06Å; V135-N151 PolarHBondContact O-N 2.96Å; V135-P153 HydrophobicContact CG2-CG 4.22Å
136L98.9Very high97.5Very high0 Ų030.1 Ų30.10%017%0.165CC..EExtended strand (participates in β ladder)trans-115.4127.2-175.6-41.6178.3000110.3V116 D117 D120 I150 P251V116-L136 WeakPolarHBondContact CA-O 3.37Å; D117-L136 HydrophobicContact CB-CB 3.85Å; D117-L136 HydrophobicContact CB-CD1 3.92Å; D117-L136 HydrophobicContact CB-CG 3.94Å; D117-L136 PolarHBondContact N-O 2.84Å; D117-L136 PolarHBondContact O-N 2.86Å; D120-L136 HydrophobicContact CB-CD1 3.8Å; D120-L136 HydrophobicContact CB-CG 3.97Å; L136-I150 HydrophobicContact CD2-CB 4.42Å; L136-I150 HydrophobicContact CD2-CG1 4.12Å; L136-I150 HydrophobicContact CD2-CG2 3.87Å; L136-P251 HydrophobicContact CD1-CG 3.9Å; L136-P251 HydrophobicContact CD2-CG 4.03Å; L136-P251 HydrophobicContact CG-CG 4.48Å
137I98.9Very high97.7Very high0 Ų028.4 Ų28.40%015%0.154CC..EExtended strand (participates in β ladder)trans-127.5105.4170.4-54.1177.8000107.2A15 V18 A19 I58 L62 V114 G148 V149A15-I137 HydrophobicContact CB-CD1 4.35Å; A15-I137 HydrophobicContact CB-CG2 4.05Å; V18-I137 HydrophobicContact CG1-CD1 4.24Å; A19-I137 HydrophobicContact CB-CD1 4.02Å; I58-I137 HydrophobicContact CD1-CD1 4.48Å; I58-I137 HydrophobicContact CG1-CD1 4.39Å; I58-I137 HydrophobicContact CG2-CD1 3.85Å; I58-I137 HydrophobicContact CG2-CG1 4.3Å; L62-I137 HydrophobicContact CD1-CG2 4.36Å; V114-I137 HydrophobicContact CG1-CG2 3.66Å; I137-G148 CarbonylContact O-C 3.56Å; I137-G148 WeakPolarHBondContact O-CA 3.41Å; I137-V149 HydrophobicContact CB-CB 4.38Å; I137-V149 PolarHBondContact N-O 2.89Å; I137-V149 PolarHBondContact O-N 2.85Å
138G98.9Very high97.8Very high0 Ų024.5 Ų24.50%014%0.136CC..EExtended strand (participates in β ladder)trans-99.2137.4175.600000111.7V114 W115 G250V114-G138 CarbonylContact C-O 3.56Å; V114-G138 VanDerWaalsContact CA-O 3.25Å; V114-G138 WeakPolarHBondContact CA-O 3.38Å; W115-G138 PolarHBondContact N-O 2.89Å; W115-G138 PolarHBondContact O-N 3.3Å; G138-G250 VanDerWaalsContact CA-CA 3.48Å
139I98.9Very high98Very high0 Ų022.5 Ų22.50%012%0.116CC..EExtended strand (participates in β ladder)trans-115.6121178.5-58.4163.2000107.8L11 V12 L112 V114 I146 A147L11-I139 HydrophobicContact CD2-CD1 4Å; L11-I139 HydrophobicContact CD2-CG1 4.12Å; L11-I139 HydrophobicContact CD2-CG2 3.88Å; L11-I139 HydrophobicContact CG-CD1 3.87Å; L11-I139 HydrophobicContact CG-CG1 4.4Å; V12-I139 HydrophobicContact CB-CD1 4.47Å; V12-I139 HydrophobicContact CG2-CD1 3.58Å; L112-I139 HydrophobicContact CD2-CG2 4.38Å; V114-I139 HydrophobicContact CG2-CG1 4.24Å; I139-I146 HydrophobicContact CG2-CD1 4.47Å; I139-I146 HydrophobicContact CG2-CG1 4.28Å; I139-I146 VanDerWaalsContact O-CG1 3.32Å; I139-I146 WeakPolarHBondContact O-CG1 3.44Å; I139-I146 PolarHBondContact O-N 3.06Å; I139-A147 HydrophobicContact CB-CB 4.16Å; I139-A147 HydrophobicContact CD1-CB 4.13Å; I139-A147 PolarHBondContact N-O 3.46Å; I139-A147 PolarHBondContact O-N 3.02Å
140A98.9Very high98.1Very high1 Ų120.1 Ų20.11%0.00810%0.103CC..EExtended strand (participates in β ladder)trans-114.8146.3-178.300000112.5L112 V113 R144 Y272L112-A140 WeakPolarHBondContact CA-O 3.41Å; V113-A140 HydrophobicContact CB-CB 4.46Å; V113-A140 PolarHBondContact N-O 3.25Å; V113-A140 PolarHBondContact O-N 3.41Å; A140-R144 CarbonylContact C-O 3.57Å; A140-R144 WeakPolarHBondContact CA-O 3.37Å; A140-R144 WeakPolarHBondContact CB-O 3.43Å; A140-Y272 VanDerWaalsContact CB-CB 3.45Å; A140-Y272 HydrophobicContact CB-CG 4.39Å
141Y98.7Very high98.2Very high80 Ų8019.4 Ų19.431%0.31410%0.099SC..EExtended strand (participates in β ladder)trans-141.2138.1173170.3-111.7000109.5L107 E111 L112 G143 R144L107-Y141 HydrophobicContact CD1-CD1 3.84Å; L107-Y141 HydrophobicContact CD1-CD2 3.9Å; L107-Y141 HydrophobicContact CD1-CE1 4.23Å; L107-Y141 HydrophobicContact CD1-CE2 4.29Å; L107-Y141 HydrophobicContact CD1-CG 3.66Å; L107-Y141 HydrophobicContact CD2-CD1 4.14Å; L107-Y141 HydrophobicContact CD2-CD2 3.88Å; L107-Y141 HydrophobicContact CD2-CE1 3.68Å; L107-Y141 HydrophobicContact CD2-CE2 3.39Å; L107-Y141 HydrophobicContact CD2-CG 4.23Å; L107-Y141 HydrophobicContact CG-CE2 4.45Å; E111-Y141 HydrophobicContact CB-CD2 4.05Å; E111-Y141 HydrophobicContact CB-CE2 3.95Å; L112-Y141 HydrophobicContact CD2-CD2 4.5Å; Y141-G143 PolarHBondContact O-N 3.09Å; Y141-G143 VanDerWaalsContact O-N 3.08Å; Y141-R144 PolarHBondContact N-O 2.98Å; Y141-R144 PolarHBondContact O-N 3.06Å
142G97.6Very high98.6Very high58 Ų5817 Ų1760%0.5989%0.087SC*.THydrogen-bonded Turntrans56.229.2-18000000113.3R144G142-R144 VanDerWaalsContact C-N 3.32Å; G142-R144 PolarHBondContact O-N 3.46Å
143G97.5Very high98.7Very high4 Ų416.6 Ų16.64%0.0418%0.084CC..THydrogen-bonded Turntrans77.44.4-176.700000116.1Y141 H271 Y272 N273Y141-G143 PolarHBondContact O-N 3.09Å; Y141-G143 VanDerWaalsContact O-N 3.08Å; G143-H271 CarbonylContact O-C 3.59Å; G143-H271 VanDerWaalsContact O-CA 3.29Å; G143-H271 WeakPolarHBondContact O-CA 3.25Å; G143-Y272 PolarHBondContact O-N 3.49Å; G143-N273 WeakPolarHBondContact CA-OD1 3.42Å
144R98.4Very high98.7Very high185 Ų18516.8 Ų16.870%0.6989%0.085SC*.EExtended strand (participates in β ladder)trans-111.6144.8178.1-52.9-171-155-1666110.8A140 Y141 G142 I146A140-R144 CarbonylContact C-O 3.57Å; A140-R144 WeakPolarHBondContact CA-O 3.37Å; A140-R144 WeakPolarHBondContact CB-O 3.43Å; Y141-R144 PolarHBondContact N-O 2.98Å; Y141-R144 PolarHBondContact O-N 3.06Å; G142-R144 VanDerWaalsContact C-N 3.32Å; G142-R144 PolarHBondContact O-N 3.46Å; R144-I146 PolarHBondContact O-N 3.36Å
145A98.8Very high98.6Very high2 Ų220.7 Ų20.72%0.01710%0.1CC..EExtended strand (participates in β ladder)trans-70.2115.2169.400000109.4L173 C249 E252 A253 Y272A145-L173 VanDerWaalsContact O-CD1 3.3Å; A145-L173 WeakPolarHBondContact O-CD1 3.49Å; A145-C249 VanDerWaalsContact CB-O 3.32Å; A145-C249 WeakPolarHBondContact CB-O 3.49Å; A145-E252 HydrophobicContact CB-CB 4.47Å; A145-A253 HydrophobicContact CB-CB 4.1Å; A145-Y272 HydrophobicContact CB-CD2 4.04Å; A145-Y272 HydrophobicContact CB-CE2 3.98Å
146I98.8Very high98.5Very high3 Ų323.1 Ų23.12%0.01511%0.113CC..EExtended strand (participates in β ladder)trans-106.9-23.1-175.959.6158.3000113.1V8 Y104 L107 L112 I139 R144 V172 L173V8-I146 HydrophobicContact CG1-CD1 4.34Å; V8-I146 HydrophobicContact CG2-CD1 4.2Å; Y104-I146 HydrophobicContact CD1-CD1 4.26Å; Y104-I146 HydrophobicContact CE1-CB 4.25Å; Y104-I146 HydrophobicContact CE1-CD1 4.42Å; Y104-I146 HydrophobicContact CE1-CG2 3.85Å; Y104-I146 HydrophobicContact CE2-CB 4.19Å; Y104-I146 HydrophobicContact CG-CD1 4.39Å; L107-I146 HydrophobicContact CD1-CD1 4.24Å; L112-I146 HydrophobicContact CD2-CD1 4.21Å; I139-I146 HydrophobicContact CG2-CD1 4.47Å; I139-I146 HydrophobicContact CG2-CG1 4.28Å; I139-I146 VanDerWaalsContact O-CG1 3.32Å; I139-I146 WeakPolarHBondContact O-CG1 3.44Å; I139-I146 PolarHBondContact O-N 3.06Å; R144-I146 PolarHBondContact O-N 3.36Å; I146-V172 WeakPolarHBondContact O-CA 3.11Å; I146-L173 PolarHBondContact O-N 2.88Å
147A98.9Very high98.2Very high0 Ų026.8 Ų26.80%013%0.127CC..EExtended strand (participates in β ladder)trans-152158.4176.300000110.6V12 I139 G171 V172 A253V12-A147 HydrophobicContact CG2-CB 3.65Å; I139-A147 HydrophobicContact CB-CB 4.16Å; I139-A147 HydrophobicContact CD1-CB 4.13Å; I139-A147 PolarHBondContact N-O 3.46Å; I139-A147 PolarHBondContact O-N 3.02Å; A147-G171 CarbonylContact C-O 3.58Å; A147-G171 WeakPolarHBondContact CA-O 3.47Å; A147-G171 WeakPolarHBondContact CB-O 3.5Å; A147-V172 HydrophobicContact CB-CB 4.35Å; A147-V172 HydrophobicContact CB-CG1 4.35Å; A147-V172 HydrophobicContact CB-CG2 3.9Å; A147-A253 VanDerWaalsContact C-CB 3.4Å
148G98.8Very high97.9Very high0 Ų033.6 Ų33.60%016%0.159CC..EExtended strand (participates in β ladder)trans-153.2152.4-179.400000112.3I137 W170 G171 I254I137-G148 CarbonylContact O-C 3.56Å; I137-G148 WeakPolarHBondContact O-CA 3.41Å; G148-W170 CarbonylContact O-C 3.55Å; G148-W170 VanDerWaalsContact O-CA 3.28Å; G148-W170 WeakPolarHBondContact O-CA 3.45Å; G148-G171 PolarHBondContact N-O 3.12Å; G148-G171 PolarHBondContact O-N 2.99Å; G148-I254 WeakPolarHBondContact O-CD1 3.35Å
149V98.9Very high97.6Very high0 Ų039.3 Ų39.30%019%0.189CC..EExtended strand (participates in β ladder)trans-128.9131.3170.1-178.70000108.1A15 A19 I137 T168 I169 W170A15-V149 HydrophobicContact CB-CG2 3.87Å; A19-V149 HydrophobicContact CB-CG1 3.61Å; I137-V149 HydrophobicContact CB-CB 4.38Å; I137-V149 PolarHBondContact N-O 2.89Å; I137-V149 PolarHBondContact O-N 2.85Å; V149-T168 HydrophobicContact CG1-CG2 3.57Å; V149-I169 CarbonylContact C-O 3.51Å; V149-I169 WeakPolarHBondContact CA-O 3.38Å; V149-W170 HydrophobicContact CG2-CB 4.12Å
150I98.9Very high97Very high0 Ų041.6 Ų41.60%021%0.213CC..EExtended strand (participates in β ladder)trans-124.5112.5174.5-54176.9000107.6T134 V135 L136 I169 I226 P251 I254T134-I150 HydrophobicContact CG2-CG2 3.67Å; V135-I150 WeakPolarHBondContact O-CA 3.43Å; L136-I150 HydrophobicContact CD2-CB 4.42Å; L136-I150 HydrophobicContact CD2-CG1 4.12Å; L136-I150 HydrophobicContact CD2-CG2 3.87Å; I150-I169 HydrophobicContact CB-CB 4.33Å; I150-I169 PolarHBondContact N-O 2.94Å; I150-I169 PolarHBondContact O-N 2.93Å; I150-I226 HydrophobicContact CG2-CD1 4.04Å; I150-P251 HydrophobicContact CD1-CB 4.21Å; I150-P251 HydrophobicContact CD1-CG 4.13Å; I150-I254 HydrophobicContact CD1-CB 4.37Å; I150-I254 HydrophobicContact CD1-CG1 3.87Å; I150-I254 HydrophobicContact CG1-CG1 4.14Å
151N98.9Very high96.1Very high4 Ų448 Ų482%0.02126%0.258CS..EExtended strand (participates in β ladder)trans-92.6133.1166.7-172.7-87.6000109A19 T134 V135 P153 R167 T168A19-N151 HydrophobicContact CB-CB 3.97Å; T134-N151 CarbonylContact C-O 3.6Å; T134-N151 WeakPolarHBondContact CA-O 3.43Å; T134-N151 WeakPolarHBondContact CB-O 3.36Å; V135-N151 HydrophobicContact CB-CB 4.16Å; V135-N151 PolarHBondContact N-O 3.06Å; V135-N151 PolarHBondContact O-N 2.96Å; N151-P153 WeakPolarHBondContact O-CD 3.47Å; N151-P153 WeakPolarHBondContact OD1-CA 3.19Å; N151-R167 WeakPolarHBondContact CA-O 3.29Å; N151-R167 PolarHBondContact ND2-O 3.25Å; N151-T168 PolarHBondContact ND2-OG1 3.39Å
152Q98.7Very high95.3Very high12 Ų1248.1 Ų48.16%0.05628%0.283CS..EExtended strand (participates in β ladder)trans-10893.6171.3-170.8179.216.700107.7D131 T134 F154 Y155 G166 R167D131-Q152 PolarHBondContact O-NE2 3.09Å; T134-Q152 HydrophobicContact CG2-CB 4.24Å; T134-Q152 HydrophobicContact CG2-CG 4.33Å; Q152-F154 PolarHBondContact O-N 3.45Å; Q152-F154 VanDerWaalsContact O-N 3.09Å; Q152-Y155 PolarHBondContact O-N 2.71Å; Q152-G166 VanDerWaalsContact O-CA 3.22Å; Q152-G166 WeakPolarHBondContact O-CA 3.19Å; Q152-R167 HydrophobicContact CB-CG 4.15Å; Q152-R167 PolarHBondContact N-O 3.41Å; Q152-R167 PolarHBondContact O-N 3.21Å
153P98.4Very high95Very high0 Ų046.9 Ų46.90%027%0.267CS..THydrogen-bonded Turntrans-62.5-27-164.2-25.635.6000114.3V26 R27 V133 V135 N151 G166V26-P153 HydrophobicContact CB-CB 4.39Å; V26-P153 HydrophobicContact CB-CG 4.27Å; V26-P153 HydrophobicContact CG1-CB 4.29Å; V26-P153 HydrophobicContact CG1-CG 4.21Å; R27-P153 WeakPolarHBondContact CD-O 3.43Å; R27-P153 HydrophobicContact CG-CB 4.26Å; R27-P153 PolarHBondContact NH1-O 3.17Å; V133-P153 VanDerWaalsContact O-CD 3.26Å; V133-P153 WeakPolarHBondContact O-CD 3.3Å; V135-P153 HydrophobicContact CG2-CG 4.22Å; N151-P153 WeakPolarHBondContact O-CD 3.47Å; N151-P153 WeakPolarHBondContact OD1-CA 3.19Å; P153-G166 WeakPolarHBondContact O-CA 3.13Å
154F97.9Very high94.8Very high4 Ų452.4 Ų52.42%0.01830%0.3CS..THydrogen-bonded Turntrans-110.917.6-175.9-59.8-82.2000113.5V26 R27 L30 Y125 L130 V133 Q152 N156 Y157V26-F154 HydrophobicContact CG1-CE2 3.79Å; V26-F154 HydrophobicContact CG1-CZ 4.25Å; R27-F154 HydrophobicContact CB-CE1 4.47Å; R27-F154 HydrophobicContact CG-CD1 4.24Å; R27-F154 HydrophobicContact CG-CE1 3.75Å; R27-F154 HydrophobicContact CG-CZ 3.95Å; L30-F154 HydrophobicContact CB-CZ 4.1Å; L30-F154 HydrophobicContact CD2-CD1 4.46Å; L30-F154 HydrophobicContact CD2-CE1 3.43Å; L30-F154 VanDerWaalsContact CD2-CE1 3.43Å; L30-F154 HydrophobicContact CD2-CZ 3.48Å; L30-F154 VanDerWaalsContact CD2-CZ 3.48Å; L30-F154 HydrophobicContact CG-CZ 4.4Å; Y125-F154 HydrophobicContact CD2-CE2 4.13Å; Y125-F154 AromaticContact CE2-CE2 3.87Å; Y125-F154 HydrophobicContact CE2-CE2 3.87Å; Y125-F154 AromaticContact CE2-CZ 3.95Å; Y125-F154 HydrophobicContact CE2-CZ 3.95Å; L130-F154 HydrophobicContact CB-CB 3.75Å; L130-F154 HydrophobicContact CB-CD1 4.05Å; L130-F154 HydrophobicContact CB-CD2 3.82Å; L130-F154 HydrophobicContact CB-CE2 4.43Å; L130-F154 HydrophobicContact CB-CG 3.61Å; L130-F154 HydrophobicContact CD1-CD1 3.81Å; L130-F154 HydrophobicContact CD1-CE1 3.97Å; L130-F154 HydrophobicContact CD1-CG 4.26Å; L130-F154 HydrophobicContact CD2-CD2 4.49Å; L130-F154 HydrophobicContact CD2-CE2 4.28Å; L130-F154 HydrophobicContact CD2-CZ 4.33Å; L130-F154 HydrophobicContact CG-CD1 4.41Å; L130-F154 HydrophobicContact CG-CG 4.4Å; L130-F154 WeakPolarHBondContact O-CD2 3.2Å; V133-F154 HydrophobicContact CB-CD2 4.48Å; Q152-F154 PolarHBondContact O-N 3.45Å; Q152-F154 VanDerWaalsContact O-N 3.09Å; F154-N156 PolarHBondContact O-N 2.99Å; F154-Y157 HydrophobicContact CB-CD1 4.28Å; F154-Y157 HydrophobicContact CB-CG 4.27Å; F154-Y157 VanDerWaalsContact O-CB 3.29Å; F154-Y157 WeakPolarHBondContact O-CB 3.26Å; F154-Y157 WeakPolarHBondContact O-CD1 3.45Å; F154-Y157 PolarHBondContact O-N 3.03Å
155Y97.6Very high94.6Very high82 Ų8247 Ų4732%0.32228%0.284SS..THydrogen-bonded Turntrans-52.3138.9168-177.7-103.5000110.3Q152 Y157 G166 R167Q152-Y155 PolarHBondContact O-N 2.71Å; Y155-Y157 VanDerWaalsContact C-N 3.28Å; Y155-Y157 PolarHBondContact O-N 3.38Å; Y155-G166 PolarHBondContact O-N 3.4Å; Y155-R167 HydrophobicContact CD1-CB 3.89Å; Y155-R167 HydrophobicContact CD1-CG 3.89Å; Y155-R167 HydrophobicContact CD2-CG 4.2Å; Y155-R167 VanDerWaalsContact CD2-NE 3.26Å; Y155-R167 VanDerWaalsContact CE2-CZ 3.44Å; Y155-R167 HydrophobicContact CG-CB 4.17Å; Y155-R167 HydrophobicContact CG-CG 3.67Å
156N96.1Very high94.5Very high50 Ų5047.6 Ų47.627%0.26729%0.291SS..THydrogen-bonded Turntrans63.910.1-173.8-67.8-18.5000117.6F154 Q158 L159 A163F154-N156 PolarHBondContact O-N 2.99Å; N156-Q158 PolarHBondContact O-N 3.15Å; N156-L159 HydrophobicContact CB-CD1 3.83Å; N156-L159 HydrophobicContact CB-CG 4.19Å; N156-L159 PolarHBondContact O-N 3.4Å; N156-L159 WeakPolarHBondContact OD1-CD1 3.5Å; N156-A163 HydrophobicContact CB-CB 4.32Å
157Y93.9Very high94.5Very high77 Ų7748.9 Ų48.930%0.30230%0.296SS..THydrogen-bonded Turntrans-60.6-20.7-177.384.1-69.2000115.4L130 D131 F154 Y155L130-Y157 HydrophobicContact CB-CD2 4.41Å; L130-Y157 HydrophobicContact CB-CE2 4.18Å; L130-Y157 HydrophobicContact CD1-CD2 3.96Å; L130-Y157 HydrophobicContact CD1-CE2 4.04Å; L130-Y157 HydrophobicContact CG-CE2 4.38Å; D131-Y157 HydrophobicContact CB-CE1 3.9Å; F154-Y157 HydrophobicContact CB-CD1 4.28Å; F154-Y157 HydrophobicContact CB-CG 4.27Å; F154-Y157 VanDerWaalsContact O-CB 3.29Å; F154-Y157 WeakPolarHBondContact O-CB 3.26Å; F154-Y157 WeakPolarHBondContact O-CD1 3.45Å; F154-Y157 PolarHBondContact O-N 3.03Å; Y155-Y157 VanDerWaalsContact C-N 3.28Å; Y155-Y157 PolarHBondContact O-N 3.38Å
158Q93.2Very high94.5Very high143 Ų14349.2 Ų49.267%0.66830%0.298SS*.THydrogen-bonded Turntrans-88.7-7.3178.3-65.6174.2-4.100114N156 G160N156-Q158 PolarHBondContact O-N 3.15Å; Q158-G160 VanDerWaalsContact C-N 3.26Å; Q158-G160 PolarHBondContact O-N 2.96Å
159L92.6Very high94.5Very high121 Ų12149.3 Ų49.363%0.63430%0.298SS*.SBendtrans-81.3-0.2-175-61.2-173.5000114.2N156 A163N156-L159 HydrophobicContact CB-CD1 3.83Å; N156-L159 HydrophobicContact CB-CG 4.19Å; N156-L159 PolarHBondContact O-N 3.4Å; N156-L159 WeakPolarHBondContact OD1-CD1 3.5Å; L159-A163 HydrophobicContact CB-CB 3.82Å
160G85.6Confident94.5Very high48 Ų4849.6 Ų49.650%0.49530%0.299SS..  trans88.3-178.5175.700000115Q158 G162 A163Q158-G160 VanDerWaalsContact C-N 3.26Å; Q158-G160 PolarHBondContact O-N 2.96Å; G160-G162 PolarHBondContact O-N 3.08Å; G160-A163 PolarHBondContact O-N 3.36Å
161S80.3Confident94.5Very high135 Ų13549.6 Ų49.694%0.94430%0.299SS*.THydrogen-bonded Turntrans-66116.6-176.255.80000111.4
162G82.1Confident94.5Very high82 Ų8249.4 Ų49.485%0.84530%0.298SS*.THydrogen-bonded Turntrans117.9-12.1179.100000114.2G160G160-G162 PolarHBondContact O-N 3.08Å
163A90.3Very high94.5Very high32 Ų3250.4 Ų50.426%0.26430%0.304SS..PPolyproline II helixtrans-69.8138.3170.200000110.8N156 L159 G160 L165N156-A163 HydrophobicContact CB-CB 4.32Å; L159-A163 HydrophobicContact CB-CB 3.82Å; G160-A163 PolarHBondContact O-N 3.36Å; A163-L165 PolarHBondContact O-N 3.07Å
164V92.4Very high94.4Very high121 Ų12153.9 Ų53.973%0.73334%0.34SS*.PPolyproline II helixtrans-68.1119.5168.3178.80000107.8
165L95.1Very high94.4Very high71 Ų7156.2 Ų56.237%0.37235%0.352SS..PPolyproline II helixtrans-86138.5179.9-65.8-175.7000111.5A163A163-L165 PolarHBondContact O-N 3.07Å
166G97.1Very high94.5Very high15 Ų1553.1 Ų53.116%0.15535%0.345CS..  trans8216117700000113.3Q152 P153 Y155Q152-G166 VanDerWaalsContact O-CA 3.22Å; Q152-G166 WeakPolarHBondContact O-CA 3.19Å; P153-G166 WeakPolarHBondContact O-CA 3.13Å; Y155-G166 PolarHBondContact O-N 3.4Å
167R98.3Very high94.6Very high29 Ų2951.6 Ų51.611%0.10934%0.339CS..EExtended strand (participates in β ladder)trans-151.6161.2171.366.6177.2173174.6-3.3109.7N151 Q152 Y155 I226 E230N151-R167 WeakPolarHBondContact CA-O 3.29Å; N151-R167 PolarHBondContact ND2-O 3.25Å; Q152-R167 HydrophobicContact CB-CG 4.15Å; Q152-R167 PolarHBondContact N-O 3.41Å; Q152-R167 PolarHBondContact O-N 3.21Å; Y155-R167 HydrophobicContact CD1-CB 3.89Å; Y155-R167 HydrophobicContact CD1-CG 3.89Å; Y155-R167 HydrophobicContact CD2-CG 4.2Å; Y155-R167 VanDerWaalsContact CD2-NE 3.26Å; Y155-R167 VanDerWaalsContact CE2-CZ 3.44Å; Y155-R167 HydrophobicContact CG-CB 4.17Å; Y155-R167 HydrophobicContact CG-CG 3.67Å; R167-I226 VanDerWaalsContact NH2-CG2 3.32Å; R167-E230 IonicContact CZ-OE1 2.85Å; R167-E230 IonicContact NH1-OE1 3.28Å; R167-E230 PolarHBondContact NH1-OE1 2.83Å; R167-E230 IonicContact NH2-OE1 3.44Å; R167-E230 PolarHBondContact NH2-OE1 2.54Å; R167-E230 IonicContact NH2-OE2 2.9Å; R167-E230 PolarHBondContact NH2-OE2 2.76Å
168T98.8Very high94.8Very high8 Ų850.9 Ų50.95%0.04934%0.338CS..EExtended strand (participates in β ladder)trans-124.4124.3174.7-510000109.4Y16 E20 V149 N151Y16-T168 HydrophobicContact CD2-CG2 3.46Å; Y16-T168 VanDerWaalsContact CD2-CG2 3.46Å; Y16-T168 VanDerWaalsContact CE2-CB 3.43Å; Y16-T168 HydrophobicContact CE2-CG2 3.44Å; Y16-T168 VanDerWaalsContact CE2-CG2 3.44Å; Y16-T168 HydrophobicContact CG-CG2 4.1Å; E20-T168 WeakPolarHBondContact CG-OG1 3.45Å; V149-T168 HydrophobicContact CG1-CG2 3.57Å; N151-T168 PolarHBondContact ND2-OG1 3.39Å
169I98.9Very high95Very high1 Ų146.1 Ų46.11%0.00533%0.327CS..EExtended strand (participates in β ladder)trans-100.9138.2172.8-66.6165.9000107V149 I150 F178 F180 I226 I254V149-I169 CarbonylContact C-O 3.51Å; V149-I169 WeakPolarHBondContact CA-O 3.38Å; I150-I169 HydrophobicContact CB-CB 4.33Å; I150-I169 PolarHBondContact N-O 2.94Å; I150-I169 PolarHBondContact O-N 2.93Å; I169-F178 WeakPolarHBondContact CA-O 3.49Å; I169-F178 WeakPolarHBondContact CG2-O 3.49Å; I169-F180 HydrophobicContact CD1-CB 4.2Å; I169-F180 HydrophobicContact CD1-CD1 4.4Å; I169-F180 HydrophobicContact CG1-CB 4.35Å; I169-F180 HydrophobicContact CG1-CD1 4.22Å; I169-F180 HydrophobicContact CG2-CD1 3.81Å; I169-F180 HydrophobicContact CG2-CE1 4.09Å; I169-I226 HydrophobicContact CD1-CD1 4.05Å; I169-I226 HydrophobicContact CD1-CG1 3.94Å; I169-I254 HydrophobicContact CG2-CD1 4.08Å; I169-I254 HydrophobicContact CG2-CG1 4.3Å; I169-I254 HydrophobicContact CG2-CG2 3.95Å
170W98.9Very high95.3Very high6 Ų642.1 Ų42.12%0.02331%0.305CS..EExtended strand (participates in β ladder)trans-145.2158.417770.3-87.6000110.9V12 Y16 I95 K98 G148 V149 V172 L175 A177 F178V12-W170 HydrophobicContact CG1-CE3 3.81Å; V12-W170 HydrophobicContact CG1-CZ3 4.35Å; Y16-W170 HydrophobicContact CD2-CB 4.33Å; Y16-W170 AromaticContact CD2-CD1 3.68Å; Y16-W170 HydrophobicContact CD2-CG 4.16Å; Y16-W170 AromaticContact CE2-CD1 3.81Å; I95-W170 HydrophobicContact CB-CH2 4.48Å; I95-W170 HydrophobicContact CD1-CD2 3.57Å; I95-W170 HydrophobicContact CD1-CE3 4.02Å; I95-W170 HydrophobicContact CD1-CG 3.83Å; I95-W170 HydrophobicContact CD1-CZ2 4.11Å; I95-W170 HydrophobicContact CD1-CZ3 4.46Å; I95-W170 HydrophobicContact CG1-CD2 4.09Å; I95-W170 HydrophobicContact CG1-CE3 4.44Å; I95-W170 HydrophobicContact CG1-CH2 4.05Å; I95-W170 HydrophobicContact CG1-CZ2 3.66Å; I95-W170 HydrophobicContact CG1-CZ3 4.41Å; I95-W170 HydrophobicContact CG2-CE3 4.49Å; I95-W170 HydrophobicContact CG2-CH2 4.2Å; I95-W170 HydrophobicContact CG2-CZ3 4.1Å; K98-W170 HydrophobicContact CG-CH2 4.21Å; G148-W170 CarbonylContact O-C 3.55Å; G148-W170 VanDerWaalsContact O-CA 3.28Å; G148-W170 WeakPolarHBondContact O-CA 3.45Å; V149-W170 HydrophobicContact CG2-CB 4.12Å; W170-V172 HydrophobicContact CE3-CG2 4.39Å; W170-V172 HydrophobicContact CZ3-CG2 4.12Å; W170-L175 HydrophobicContact CH2-CD2 3.96Å; W170-L175 HydrophobicContact CZ3-CD2 3.97Å; W170-A177 CarbonylContact O-C 3.6Å; W170-A177 VanDerWaalsContact O-CA 3.28Å; W170-A177 WeakPolarHBondContact O-CA 3.42Å; W170-F178 AromaticContact CD2-CD2 3.93Å; W170-F178 HydrophobicContact CD2-CD2 3.93Å; W170-F178 AromaticContact CE2-CD2 3.56Å; W170-F178 HydrophobicContact CE3-CD2 4.06Å; W170-F178 AromaticContact CH2-CD2 3.46Å; W170-F178 HydrophobicContact CH2-CD2 3.46Å; W170-F178 VanDerWaalsContact CH2-CD2 3.46Å; W170-F178 AromaticContact CH2-CE2 3.52Å; W170-F178 HydrophobicContact CH2-CE2 3.52Å; W170-F178 HydrophobicContact CH2-CG 4.44Å; W170-F178 HydrophobicContact CZ2-CB 4.26Å; W170-F178 AromaticContact CZ2-CD2 3.31Å; W170-F178 HydrophobicContact CZ2-CD2 3.31Å; W170-F178 AromaticContact CZ2-CE2 3.82Å; W170-F178 HydrophobicContact CZ2-CE2 3.82Å; W170-F178 AromaticContact CZ2-CG 3.89Å; W170-F178 HydrophobicContact CZ2-CG 3.89Å; W170-F178 AromaticContact CZ3-CD2 3.85Å; W170-F178 HydrophobicContact CZ3-CD2 3.85Å; W170-F178 AromaticContact CZ3-CE2 3.93Å; W170-F178 HydrophobicContact CZ3-CE2 3.93Å; W170-F178 PolarHBondContact N-O 2.78Å; W170-F178 VanDerWaalsContact N-O 3.14Å; W170-F178 PolarHBondContact O-N 2.91Å
171G98.7Very high95.9Very high0 Ų046.9 Ų46.90%031%0.314CS..EExtended strand (participates in β ladder)trans-165.7157.1179.400000113.1A147 G148 G176A147-G171 CarbonylContact C-O 3.58Å; A147-G171 WeakPolarHBondContact CA-O 3.47Å; A147-G171 WeakPolarHBondContact CB-O 3.5Å; G148-G171 PolarHBondContact N-O 3.12Å; G148-G171 PolarHBondContact O-N 2.99Å; G171-G176 CarbonylContact C-O 3.6Å; G171-G176 WeakPolarHBondContact CA-O 3.33Å
172V98.8Very high96.8Very high0 Ų043.6 Ų43.60%029%0.285CS..EExtended strand (participates in β ladder)trans-137.6132.1177-174.90000107.7M9 V12 P101 Y104 I146 A147 W170 G174 L175 G176M9-V172 HydrophobicContact SD-CG2 4.47Å; V12-V172 HydrophobicContact CG1-CG2 4.27Å; V12-V172 HydrophobicContact CG2-CG2 3.97Å; P101-V172 HydrophobicContact CG-CG1 4.1Å; Y104-V172 HydrophobicContact CD2-CG1 4.15Å; Y104-V172 HydrophobicContact CE2-CG1 4.21Å; I146-V172 WeakPolarHBondContact O-CA 3.11Å; A147-V172 HydrophobicContact CB-CB 4.35Å; A147-V172 HydrophobicContact CB-CG1 4.35Å; A147-V172 HydrophobicContact CB-CG2 3.9Å; W170-V172 HydrophobicContact CE3-CG2 4.39Å; W170-V172 HydrophobicContact CZ3-CG2 4.12Å; V172-G174 PolarHBondContact O-N 2.95Å; V172-L175 HydrophobicContact CB-CB 4.09Å; V172-L175 HydrophobicContact CB-CD2 4.49Å; V172-L175 PolarHBondContact O-N 3.22Å; V172-G176 PolarHBondContact N-O 2.87Å; V172-G176 PolarHBondContact O-N 3.34Å
173L98.4Very high97.6Very high33 Ų3345.3 Ų45.317%0.17327%0.271CS..THydrogen-bonded Turntrans-57.6137.2174.5-65.7-171.3000110.4P101 Y104 A145 I146 L175 H256 A257P101-L173 VanDerWaalsContact CG-O 3.3Å; P101-L173 WeakPolarHBondContact CG-O 3.43Å; Y104-L173 HydrophobicContact CE2-CB 4.27Å; Y104-L173 WeakPolarHBondContact CE2-O 3.37Å; A145-L173 VanDerWaalsContact O-CD1 3.3Å; A145-L173 WeakPolarHBondContact O-CD1 3.49Å; I146-L173 PolarHBondContact O-N 2.88Å; L173-L175 PolarHBondContact O-N 3.1Å; L173-H256 HydrophobicContact CD2-CB 3.56Å; L173-A257 HydrophobicContact CD2-CB 4.19Å
174G97.8Very high97.9Very high73 Ų7348.6 Ų48.675%0.75328%0.281SS*.THydrogen-bonded Turntrans78.9-8.3-174.300000115.4V172V172-G174 PolarHBondContact O-N 2.95Å
175L98Very high98.1Very high54 Ų5443.9 Ų43.928%0.28325%0.253SS..THydrogen-bonded Turntrans-110.2-43.1172.1-173.564000112.4M9 K98 P101 W170 V172 L173 F178M9-L175 HydrophobicContact CE-CD2 4.19Å; K98-L175 HydrophobicContact CB-CD2 3.98Å; K98-L175 HydrophobicContact CG-CD2 4.28Å; P101-L175 HydrophobicContact CG-CB 4.28Å; W170-L175 HydrophobicContact CH2-CD2 3.96Å; W170-L175 HydrophobicContact CZ3-CD2 3.97Å; V172-L175 HydrophobicContact CB-CB 4.09Å; V172-L175 HydrophobicContact CB-CD2 4.49Å; V172-L175 PolarHBondContact O-N 3.22Å; L173-L175 PolarHBondContact O-N 3.1Å; L175-F178 HydrophobicContact CD2-CE2 4.22Å; L175-F178 HydrophobicContact CG-CE2 4.12Å; L175-F178 HydrophobicContact CG-CZ 4.22Å
176G98.4Very high98Very high17 Ų1744.1 Ų44.118%0.17526%0.259CS..EExtended strand (participates in β ladder)trans121.9-175.8-17500000112.5G171 V172G171-G176 CarbonylContact C-O 3.6Å; G171-G176 WeakPolarHBondContact CA-O 3.33Å; V172-G176 PolarHBondContact N-O 2.87Å; V172-G176 PolarHBondContact O-N 3.34Å
177A98.7Very high97.7Very high17 Ų1748.7 Ų48.714%0.1430%0.295CS..EExtended strand (participates in β ladder)trans-124.8150.1173.600000111.3W170 F180 I254 A257 V258W170-A177 CarbonylContact O-C 3.6Å; W170-A177 VanDerWaalsContact O-CA 3.28Å; W170-A177 WeakPolarHBondContact O-CA 3.42Å; A177-F180 HydrophobicContact CB-CE1 3.77Å; A177-F180 HydrophobicContact CB-CZ 4.16Å; A177-I254 HydrophobicContact CB-CD1 4.32Å; A177-I254 HydrophobicContact CB-CG2 4.11Å; A177-A257 HydrophobicContact CB-CB 4.11Å; A177-V258 HydrophobicContact CB-CG1 4Å
178F98.7Very high97.4Very high63 Ų6352.7 Ų52.728%0.27632%0.319SS..EExtended strand (participates in β ladder)trans-139.2164.5-166.8-51.1-84000111.1I169 W170 L175I169-F178 WeakPolarHBondContact CA-O 3.49Å; I169-F178 WeakPolarHBondContact CG2-O 3.49Å; W170-F178 AromaticContact CD2-CD2 3.93Å; W170-F178 HydrophobicContact CD2-CD2 3.93Å; W170-F178 AromaticContact CE2-CD2 3.56Å; W170-F178 HydrophobicContact CE3-CD2 4.06Å; W170-F178 AromaticContact CH2-CD2 3.46Å; W170-F178 HydrophobicContact CH2-CD2 3.46Å; W170-F178 VanDerWaalsContact CH2-CD2 3.46Å; W170-F178 AromaticContact CH2-CE2 3.52Å; W170-F178 HydrophobicContact CH2-CE2 3.52Å; W170-F178 HydrophobicContact CH2-CG 4.44Å; W170-F178 HydrophobicContact CZ2-CB 4.26Å; W170-F178 AromaticContact CZ2-CD2 3.31Å; W170-F178 HydrophobicContact CZ2-CD2 3.31Å; W170-F178 AromaticContact CZ2-CE2 3.82Å; W170-F178 HydrophobicContact CZ2-CE2 3.82Å; W170-F178 AromaticContact CZ2-CG 3.89Å; W170-F178 HydrophobicContact CZ2-CG 3.89Å; W170-F178 AromaticContact CZ3-CD2 3.85Å; W170-F178 HydrophobicContact CZ3-CD2 3.85Å; W170-F178 AromaticContact CZ3-CE2 3.93Å; W170-F178 HydrophobicContact CZ3-CE2 3.93Å; W170-F178 PolarHBondContact N-O 2.78Å; W170-F178 VanDerWaalsContact N-O 3.14Å; W170-F178 PolarHBondContact O-N 2.91Å; L175-F178 HydrophobicContact CD2-CE2 4.22Å; L175-F178 HydrophobicContact CG-CE2 4.12Å; L175-F178 HydrophobicContact CG-CZ 4.22Å
179G98.1Very high97.2Very high43 Ų4356.6 Ų56.644%0.44334%0.335SS..SBendtrans939179.400000115.1
180F98.4Very high97.1Very high36 Ų3659.4 Ų59.416%0.15835%0.345CS..SBendtrans-150.4166.7176.667.6-80.2000111.2I169 A177 L182 I229 I254 V258I169-F180 HydrophobicContact CD1-CB 4.2Å; I169-F180 HydrophobicContact CD1-CD1 4.4Å; I169-F180 HydrophobicContact CG1-CB 4.35Å; I169-F180 HydrophobicContact CG1-CD1 4.22Å; I169-F180 HydrophobicContact CG2-CD1 3.81Å; I169-F180 HydrophobicContact CG2-CE1 4.09Å; A177-F180 HydrophobicContact CB-CE1 3.77Å; A177-F180 HydrophobicContact CB-CZ 4.16Å; F180-L182 HydrophobicContact CE2-CB 3.93Å; F180-L182 HydrophobicContact CE2-CD1 3.97Å; F180-I229 HydrophobicContact CD1-CD1 3.93Å; F180-I229 HydrophobicContact CD2-CB 4.14Å; F180-I229 HydrophobicContact CD2-CD1 3.85Å; F180-I229 HydrophobicContact CD2-CG1 3.79Å; F180-I229 HydrophobicContact CE1-CD1 3.85Å; F180-I229 HydrophobicContact CE2-CB 3.61Å; F180-I229 HydrophobicContact CE2-CD1 3.79Å; F180-I229 HydrophobicContact CE2-CG1 3.74Å; F180-I229 HydrophobicContact CG-CD1 3.93Å; F180-I229 HydrophobicContact CG-CG1 4.32Å; F180-I229 HydrophobicContact CZ-CB 4.08Å; F180-I229 HydrophobicContact CZ-CD1 3.77Å; F180-I229 HydrophobicContact CZ-CG1 4.2Å; F180-I254 HydrophobicContact CE1-CG2 4.47Å; F180-V258 HydrophobicContact CZ-CG1 3.92Å
181Q98.4Very high97.1Very high148 Ų14860.5 Ų60.569%0.69235%0.351SS*.  trans-96.5113.6170.117857.84800108.9Q183Q181-Q183 PolarHBondContact O-N 2.92Å
182L98.6Very high97.1Very high66 Ų6660.5 Ų60.535%0.34635%0.351SS..  trans-64.4129.5175.8-177.267.9000109.8F180 I229 V258 L288F180-L182 HydrophobicContact CE2-CB 3.93Å; F180-L182 HydrophobicContact CE2-CD1 3.97Å; L182-I229 WeakPolarHBondContact CA-O 3.48Å; L182-I229 HydrophobicContact CD1-CB 4.38Å; L182-I229 WeakPolarHBondContact CD1-O 3.49Å; L182-V258 HydrophobicContact CD1-CB 4.12Å; L182-V258 HydrophobicContact CD1-CG1 4.48Å; L182-V258 HydrophobicContact CD1-CG2 4.09Å; L182-V258 HydrophobicContact CD2-CB 4.33Å; L182-L288 HydrophobicContact CD1-CD1 4.19Å; L182-L288 HydrophobicContact CD1-CD2 3.92Å
183Q98.3Very high97.1Very high118 Ų11860.5 Ų60.555%0.55135%0.351SS*.BIsolated β-bridgetrans-145.1140.7177-176.9169.5-8.700110.2Q181 I229 G231Q181-Q183 PolarHBondContact O-N 2.92Å; Q183-I229 PolarHBondContact N-O 2.84Å; Q183-G231 WeakPolarHBondContact O-CA 3.32Å; Q183-G231 PolarHBondContact O-N 3.5Å
184E97Very high97.1Very high101 Ų10159 Ų5947%0.47234%0.343SS..PPolyproline II helixtrans-98.4149174.5-62.8-172.4-169.900110.5L288 R289E184-L288 HydrophobicContact CG-CD2 3.92Å; E184-R289 IonicContact OE1-CZ 2.76Å; E184-R289 IonicContact OE1-NE 3.87Å; E184-R289 PolarHBondContact OE1-NE 3.35Å; E184-R289 IonicContact OE1-NH2 3.17Å; E184-R289 PolarHBondContact OE1-NH2 2.99Å; E184-R289 IonicContact OE2-NE 2.78Å
185V96.6Very high97Very high22 Ų2255.9 Ų55.913%0.13331%0.31CS..PPolyproline II helixtrans-65.4143.7168.5177.30000108.8A187 K189 I191 G231 A233V185-A187 PolarHBondContact O-N 3.1Å; V185-K189 HydrophobicContact CG1-CB 3.8Å; V185-I191 HydrophobicContact CG1-CD1 4.18Å; V185-I191 HydrophobicContact CG1-CG1 4.38Å; V185-G231 WeakPolarHBondContact CG2-O 3.17Å; V185-A233 VanDerWaalsContact CG2-C 3.4Å; V185-A233 WeakPolarHBondContact CG2-O 3.4Å
186P94.2Very high96.8Very high77 Ų7759 Ų5950%0.532%0.318SS..PPolyproline II helixtrans-49.1135.6171.9-28.835.9000112.3D188 K189P186-D188 VanDerWaalsContact CB-OD1 3.3Å; P186-D188 WeakPolarHBondContact CB-OD1 3.45Å; P186-D188 PolarHBondContact O-N 3.17Å; P186-K189 HydrophobicContact CB-CB 4.44Å; P186-K189 HydrophobicContact CB-CG 4.14Å; P186-K189 PolarHBondContact O-N 2.94Å
187A89.6Confident96.2Very high110 Ų11059.2 Ų59.291%0.90932%0.316SS*.THydrogen-bonded Turntrans-61.3-22.1-170.600000114.3V185V185-A187 PolarHBondContact O-N 3.1Å
188D91.6Very high95.8Very high114 Ų11462.8 Ų62.861%0.6133%0.33SS*.THydrogen-bonded Turntrans-87.5-2.5177.268.1-42.1000113.5P186 H213P186-D188 VanDerWaalsContact CB-OD1 3.3Å; P186-D188 WeakPolarHBondContact CB-OD1 3.45Å; P186-D188 PolarHBondContact O-N 3.17Å; D188-H213 PolarHBondContact O-CE1 3.38Å
189K95.4Very high95.5Very high90 Ų9062.2 Ų62.239%0.39133%0.334SS..  trans-110.6139.2-178.4-64.8-66.8-176.4175.40111.6V185 P186 I191V185-K189 HydrophobicContact CG1-CB 3.8Å; P186-K189 HydrophobicContact CB-CB 4.44Å; P186-K189 HydrophobicContact CB-CG 4.14Å; P186-K189 PolarHBondContact O-N 2.94Å; K189-I191 HydrophobicContact CB-CG1 4.49Å
190R97.2Very high95.2Very high60 Ų6063.1 Ų63.123%0.22633%0.329CS..  trans-120.798.3170.8-67.9-172.6-62.6-138-4107.9M210 E211 P212 H213 D214 Y293R190-M210 PolarHBondContact NE-O 3.35Å; R190-E211 VanDerWaalsContact CZ-O 3.26Å; R190-E211 IonicContact CZ-OE2 3.62Å; R190-E211 PolarHBondContact NE-O 3.46Å; R190-E211 IonicContact NH1-OE2 2.97Å; R190-E211 PolarHBondContact NH1-OE2 3.12Å; R190-E211 PolarHBondContact NH2-O 3.31Å; R190-E211 IonicContact NH2-OE2 3.99Å; R190-E211 PolarHBondContact NH2-OE2 3.33Å; R190-P212 CarbonylContact O-C 3.56Å; R190-P212 WeakPolarHBondContact O-CA 3.24Å; R190-H213 PolarHBondContact N-ND1 2.94Å; R190-H213 PolarHBondContact O-N 2.98Å; R190-D214 PolarHBondContact O-N 2.97Å; R190-Y293 PolarHBondContact NH1-OH 3.31Å
191I98.6Very high95.1Very high29 Ų2968.2 Ų68.215%0.14935%0.351CS..EExtended strand (participates in β ladder)trans-105.1117.9176.9-54.1175.8000107.1V185 K189 D214 I216 K232 A233 S234 A235V185-I191 HydrophobicContact CG1-CD1 4.18Å; V185-I191 HydrophobicContact CG1-CG1 4.38Å; K189-I191 HydrophobicContact CB-CG1 4.49Å; I191-D214 WeakPolarHBondContact CA-O 3.15Å; I191-D214 HydrophobicContact CG1-CB 4.31Å; I191-D214 HydrophobicContact CG2-CB 4.21Å; I191-I216 HydrophobicContact CG2-CD1 3.55Å; I191-I216 HydrophobicContact CG2-CG1 3.86Å; I191-K232 WeakPolarHBondContact CG2-O 3.34Å; I191-A233 HydrophobicContact CG2-CB 4.47Å; I191-S234 PolarHBondContact N-OG 2.73Å; I191-S234 PolarHBondContact O-N 2.9Å; I191-S234 PolarHBondContact O-OG 3.27Å; I191-A235 PolarHBondContact O-N 3.42Å
192V98.7Very high95Very high0 Ų063 Ų630%033%0.329CS..EExtended strand (participates in β ladder)trans-103.9121.6-179.3173.80000109.3V207 M210 P212 D214 I215 I216 A235 V237V192-V207 HydrophobicContact CB-CG1 4.4Å; V192-V207 HydrophobicContact CG1-CB 4.48Å; V192-V207 HydrophobicContact CG1-CG1 3.92Å; V192-V207 HydrophobicContact CG1-CG2 4.08Å; V192-M210 HydrophobicContact CG2-CB 3.92Å; V192-M210 HydrophobicContact CG2-CG 4.34Å; V192-P212 HydrophobicContact CB-CB 4.1Å; V192-P212 HydrophobicContact CG2-CB 3.84Å; V192-D214 PolarHBondContact N-O 2.77Å; V192-I215 CarbonylContact O-C 3.56Å; V192-I215 VanDerWaalsContact O-CA 3.3Å; V192-I215 WeakPolarHBondContact O-CA 3.43Å; V192-I216 PolarHBondContact O-N 3.35Å; V192-A235 CarbonylContact C-O 3.6Å; V192-A235 WeakPolarHBondContact CA-O 3.24Å; V192-V237 HydrophobicContact CG1-CB 3.99Å; V192-V237 HydrophobicContact CG1-CG2 3.8Å
193T98.8Very high95Very high0 Ų059.8 Ų59.80%031%0.312CS..EExtended strand (participates in β ladder)trans-95.1140.3171.1-164.90000110.5I216 V218 K224 Q227 A233 A235 Y236 V237T193-I216 CarbonylContact C-O 3.37Å; T193-I216 VanDerWaalsContact CA-O 3.3Å; T193-I216 WeakPolarHBondContact CA-O 3.46Å; T193-V218 WeakPolarHBondContact OG1-CG2 3.47Å; T193-K224 HydrophobicContact CG2-CB 3.94Å; T193-K224 HydrophobicContact CG2-CD 4.3Å; T193-K224 HydrophobicContact CG2-CG 3.96Å; T193-Q227 VanDerWaalsContact CB-OE1 3.29Å; T193-Q227 PolarHBondContact OG1-OE1 3.19Å; T193-A233 HydrophobicContact CG2-CB 3.7Å; T193-A235 PolarHBondContact N-O 3.38Å; T193-Y236 HydrophobicContact CG2-CD2 4.43Å; T193-Y236 HydrophobicContact CG2-CG 4.4Å; T193-Y236 WeakPolarHBondContact O-CA 3.32Å; T193-V237 PolarHBondContact O-N 3.39Å
194T98.3Very high95Very high0 Ų056 Ų560%030%0.297CS..EExtended strand (participates in β ladder)trans-152.4177.8-178.5-165.40000111.2V203 V207 I215 I216 R217 V218 V237T194-V203 WeakPolarHBondContact OG1-CG1 3.21Å; T194-V207 HydrophobicContact CG2-CG2 4.18Å; T194-I215 HydrophobicContact CG2-CG2 4.25Å; T194-I216 PolarHBondContact N-O 2.65Å; T194-R217 HydrophobicContact CG2-CG 4.09Å; T194-V218 PolarHBondContact O-N 3.42Å; T194-V237 VanDerWaalsContact CB-O 3.27Å; T194-V237 WeakPolarHBondContact CB-O 3.36Å; T194-V237 PolarHBondContact OG1-O 2.75Å
195T95.7Very high95Very high8 Ų853.8 Ų53.85%0.04929%0.288CS..EExtended strand (participates in β ladder)trans-60139.7-179.5-176.80000112.7S197 H198 V203 F238T195-S197 PolarHBondContact OG1-N 3.13Å; T195-H198 HydrophobicContact CG2-CB 4.45Å; T195-H198 PolarHBondContact OG1-N 3.22Å; T195-V203 HydrophobicContact CG2-CG1 4.26Å; T195-F238 HydrophobicContact CG2-CD2 3.8Å; T195-F238 HydrophobicContact CG2-CE2 3.76Å
196R93.3Very high95.1Very high120 Ų12052.7 Ų52.745%0.45328%0.282SS..SBendtrans-81.7-48.5167.4176.9-177.7167.291.5-0.5111.6E127 V218E127-R196 IonicContact OE2-CZ 2.97Å; E127-R196 IonicContact OE2-NE 2.65Å; E127-R196 PolarHBondContact OE2-NE 3.15Å; E127-R196 IonicContact OE2-NH2 3.93Å; E127-R196 PolarHBondContact OE2-NH2 2.9Å; R196-V218 PolarHBondContact N-O 3.2Å
197S87Confident95.3Very high21 Ų2149 Ų4915%0.14726%0.258CS..SBendtrans-106.2-9.6-161.5-60.60000114.8N44 E124 T195N44-S197 PolarHBondContact ND2-O 3.28Å; E124-S197 PolarHBondContact OE1-OG 3.26Å; T195-S197 PolarHBondContact OG1-N 3.13Å
198H88.4Confident95.7Very high92 Ų9248.4 Ų48.443%0.42624%0.239SC..SBendtrans-126.932.7-175.4-50.385.4000112.8N44 T195 F238N44-H198 PolarHBondContact O-NE2 3.37Å; T195-H198 HydrophobicContact CG2-CB 4.45Å; T195-H198 PolarHBondContact OG1-N 3.22Å; H198-F238 HydrophobicContact CB-CE2 4.49Å
199S92.6Very high96Very high51 Ų5144 Ų4436%0.35722%0.219SC..  trans-76.4142.9-179-167.10000111.6R217S199-R217 PolarHBondContact OG-NH1 3.03Å
200N93.6Very high96.1Very high63 Ų6339.7 Ų39.734%0.33720%0.2SC..  trans-140.3-179.3170.76538.2000110.2T202 V203 T204 S240N200-T202 VanDerWaalsContact C-N 3.34Å; N200-T202 PolarHBondContact O-N 2.84Å; N200-T202 WeakPolarHBondContact OD1-CB 3.36Å; N200-T202 PolarHBondContact OD1-N 3.22Å; N200-V203 PolarHBondContact O-N 3.09Å; N200-V203 WeakPolarHBondContact OD1-CG2 3.3Å; N200-V203 PolarHBondContact OD1-N 2.73Å; N200-T204 PolarHBondContact O-N 2.79Å; N200-T204 PolarHBondContact O-OG1 2.96Å; N200-S240 PolarHBondContact ND2-OG 2.76Å; N200-S240 VanDerWaalsContact ND2-OG 3.13Å
201K95.8Very high96.1Very high142 Ų14241 Ų4162%0.61721%0.209SC*.Hα-helixtrans-59.7-42.5-178.3-168.1-174.7-172.9-49.30112.5V203 T204 D205K201-V203 VanDerWaalsContact C-N 3.33Å; K201-V203 PolarHBondContact O-N 2.75Å; K201-T204 WeakPolarHBondContact CA-OG1 3.45Å; K201-T204 PolarHBondContact O-N 2.96Å; K201-T204 PolarHBondContact O-OG1 3.01Å; K201-D205 IonicContact NZ-OD1 2.9Å; K201-D205 PolarHBondContact NZ-OD1 3.06Å; K201-D205 IonicContact NZ-OD2 2.59Å; K201-D205 PolarHBondContact NZ-OD2 2.7Å; K201-D205 WeakPolarHBondContact O-CB 3.07Å; K201-D205 PolarHBondContact O-N 3.12Å
202T96.7Very high96.1Very high38 Ų3841.1 Ų41.123%0.23321%0.211CC..Hα-helixtrans-60.8-43179.3-51.20000111.4N200 C206 A239 V302 A305N200-T202 VanDerWaalsContact C-N 3.34Å; N200-T202 PolarHBondContact O-N 2.84Å; N200-T202 WeakPolarHBondContact OD1-CB 3.36Å; N200-T202 PolarHBondContact OD1-N 3.22Å; T202-C206 VanDerWaalsContact O-CB 3.27Å; T202-C206 WeakPolarHBondContact O-CB 3.31Å; T202-C206 PolarHBondContact O-N 2.89Å; T202-A239 HydrophobicContact CG2-CB 4.18Å; T202-A239 VanDerWaalsContact CG2-O 3.26Å; T202-A239 WeakPolarHBondContact CG2-O 3.42Å; T202-V302 HydrophobicContact CG2-CB 4.28Å; T202-V302 HydrophobicContact CG2-CG1 3.85Å; T202-V302 HydrophobicContact CG2-CG2 4.13Å; T202-A305 HydrophobicContact CG2-CB 4.24Å
203V97.7Very high96.1Very high0 Ų045.7 Ų45.70%023%0.233CC..Hα-helixtrans-60.6-50.4174174.70000110.8T194 T195 N200 K201 C206 V207 F238T194-V203 WeakPolarHBondContact OG1-CG1 3.21Å; T195-V203 HydrophobicContact CG2-CG1 4.26Å; N200-V203 PolarHBondContact O-N 3.09Å; N200-V203 WeakPolarHBondContact OD1-CG2 3.3Å; N200-V203 PolarHBondContact OD1-N 2.73Å; K201-V203 VanDerWaalsContact C-N 3.33Å; K201-V203 PolarHBondContact O-N 2.75Å; V203-C206 PolarHBondContact O-N 3.01Å; V203-V207 HydrophobicContact CG1-CG2 4.36Å; V203-V207 WeakPolarHBondContact O-CB 3.1Å; V203-V207 VanDerWaalsContact O-CG2 3.27Å; V203-V207 WeakPolarHBondContact O-CG2 3.2Å; V203-V207 PolarHBondContact O-N 3.33Å; V203-F238 HydrophobicContact CG2-CD2 4.02Å; V203-F238 HydrophobicContact CG2-CE2 4.17Å
204T97.6Very high96Very high37 Ų3750 Ų5023%0.22726%0.255CS..Hα-helixtrans-66.3-41.1-177.452.40000112.9N200 K201 C206 V207 N208N200-T204 PolarHBondContact O-N 2.79Å; N200-T204 PolarHBondContact O-OG1 2.96Å; K201-T204 WeakPolarHBondContact CA-OG1 3.45Å; K201-T204 PolarHBondContact O-N 2.96Å; K201-T204 PolarHBondContact O-OG1 3.01Å; T204-C206 VanDerWaalsContact C-N 3.33Å; T204-V207 PolarHBondContact O-N 2.76Å; T204-N208 WeakPolarHBondContact O-CB 3.36Å; T204-N208 PolarHBondContact O-N 2.96Å; T204-N208 PolarHBondContact O-ND2 2.97Å
205D97.6Very high96Very high55 Ų5553.3 Ų53.329%0.29427%0.273SS..Hα-helixtrans-61.9-44.8177.1-70.6-8.3000110.3K201 N208 A209 V302K201-D205 IonicContact NZ-OD1 2.9Å; K201-D205 PolarHBondContact NZ-OD1 3.06Å; K201-D205 IonicContact NZ-OD2 2.59Å; K201-D205 PolarHBondContact NZ-OD2 2.7Å; K201-D205 WeakPolarHBondContact O-CB 3.07Å; K201-D205 PolarHBondContact O-N 3.12Å; D205-N208 PolarHBondContact O-N 3.4Å; D205-A209 WeakPolarHBondContact O-CB 3.45Å; D205-A209 PolarHBondContact O-N 3.06Å; D205-V302 HydrophobicContact CB-CG2 4.46Å
206C98.3Very high96.2Very high0 Ų055.3 Ų55.30%028%0.283CS..Hα-helixtrans-65.5-43.8178.6-166.20000112.2T202 V203 T204 N208 A209 M210 V237 A239 M265 V302T202-C206 VanDerWaalsContact O-CB 3.27Å; T202-C206 WeakPolarHBondContact O-CB 3.31Å; T202-C206 PolarHBondContact O-N 2.89Å; V203-C206 PolarHBondContact O-N 3.01Å; T204-C206 VanDerWaalsContact C-N 3.33Å; C206-N208 VanDerWaalsContact C-N 3.35Å; C206-N208 PolarHBondContact O-N 3.04Å; C206-A209 WeakPolarHBondContact O-CB 3.29Å; C206-A209 PolarHBondContact O-N 2.92Å; C206-M210 VanDerWaalsContact O-CE 3.32Å; C206-M210 WeakPolarHBondContact O-CE 3.39Å; C206-M210 WeakPolarHBondContact O-CG 3.39Å; C206-M210 PolarHBondContact O-N 3.27Å; C206-M210 VanDerWaalsContact SG-CE 3.54Å; C206-V237 HydrophobicContact CB-CG1 4.34Å; C206-A239 HydrophobicContact CB-CB 3.53Å; C206-M265 WeakPolarHBondContact SG-CE 3.4Å; C206-V302 HydrophobicContact CB-CG1 4.1Å; C206-V302 HydrophobicContact CB-CG2 3.91Å
207V98.4Very high96.4Very high0 Ų054.8 Ų54.80%028%0.281CS..Hα-helixtrans-60.3-45.6176.7166.50000110.6V192 T194 V203 T204 A209 M210 P212 I215 V237V192-V207 HydrophobicContact CB-CG1 4.4Å; V192-V207 HydrophobicContact CG1-CB 4.48Å; V192-V207 HydrophobicContact CG1-CG1 3.92Å; V192-V207 HydrophobicContact CG1-CG2 4.08Å; T194-V207 HydrophobicContact CG2-CG2 4.18Å; V203-V207 HydrophobicContact CG1-CG2 4.36Å; V203-V207 WeakPolarHBondContact O-CB 3.1Å; V203-V207 VanDerWaalsContact O-CG2 3.27Å; V203-V207 WeakPolarHBondContact O-CG2 3.2Å; V203-V207 PolarHBondContact O-N 3.33Å; T204-V207 PolarHBondContact O-N 2.76Å; V207-A209 VanDerWaalsContact C-N 3.28Å; V207-A209 PolarHBondContact O-N 3.33Å; V207-M210 VanDerWaalsContact O-CB 3.32Å; V207-M210 WeakPolarHBondContact O-CB 3.37Å; V207-M210 PolarHBondContact O-N 3.13Å; V207-M210 VanDerWaalsContact O-N 3.14Å; V207-P212 HydrophobicContact CG1-CG 4.4Å; V207-P212 VanDerWaalsContact O-CD 3.31Å; V207-P212 WeakPolarHBondContact O-CD 3.37Å; V207-I215 HydrophobicContact CG1-CD1 3.71Å; V207-I215 HydrophobicContact CG1-CG1 3.92Å; V207-I215 HydrophobicContact CG1-CG2 4.2Å; V207-V237 HydrophobicContact CG2-CB 4.15Å; V207-V237 HydrophobicContact CG2-CG1 4.19Å
208N98.2Very high96.9Very high96 Ų9654.8 Ų54.851%0.51328%0.28SS..Hα-helixtrans-63.1-35.6178.6-70.5-21000112.1T204 D205 C206 M210 E211T204-N208 WeakPolarHBondContact O-CB 3.36Å; T204-N208 PolarHBondContact O-N 2.96Å; T204-N208 PolarHBondContact O-ND2 2.97Å; D205-N208 PolarHBondContact O-N 3.4Å; C206-N208 VanDerWaalsContact C-N 3.35Å; C206-N208 PolarHBondContact O-N 3.04Å; N208-M210 PolarHBondContact O-N 3.5Å; N208-E211 PolarHBondContact O-N 3.43Å
209A98.1Very high97.3Very high21 Ų2150.5 Ų50.517%0.17426%0.261CS..Hα-helixtrans-64.4-19.9177.500000113.7D205 C206 V207 E211 R297 P299D205-A209 WeakPolarHBondContact O-CB 3.45Å; D205-A209 PolarHBondContact O-N 3.06Å; C206-A209 WeakPolarHBondContact O-CB 3.29Å; C206-A209 PolarHBondContact O-N 2.92Å; V207-A209 VanDerWaalsContact C-N 3.28Å; V207-A209 PolarHBondContact O-N 3.33Å; A209-E211 PolarHBondContact O-N 3.2Å; A209-R297 WeakPolarHBondContact CB-O 3.36Å; A209-R297 VanDerWaalsContact O-CZ 3.27Å; A209-R297 PolarHBondContact O-NE 3.32Å; A209-R297 PolarHBondContact O-NH2 3.05Å; A209-P299 HydrophobicContact CB-CG 3.42Å; A209-P299 VanDerWaalsContact CB-CG 3.42Å
210M97.9Very high97.5Very high0 Ų048.3 Ų48.30%025%0.246CC..THydrogen-bonded Turntrans-72.5-10173.5-54.3-58.1143.200113.4R190 V192 C206 V207 N208 V237 Y293 Y294 R297 V298R190-M210 PolarHBondContact NE-O 3.35Å; V192-M210 HydrophobicContact CG2-CB 3.92Å; V192-M210 HydrophobicContact CG2-CG 4.34Å; C206-M210 VanDerWaalsContact O-CE 3.32Å; C206-M210 WeakPolarHBondContact O-CE 3.39Å; C206-M210 WeakPolarHBondContact O-CG 3.39Å; C206-M210 PolarHBondContact O-N 3.27Å; C206-M210 VanDerWaalsContact SG-CE 3.54Å; V207-M210 VanDerWaalsContact O-CB 3.32Å; V207-M210 WeakPolarHBondContact O-CB 3.37Å; V207-M210 PolarHBondContact O-N 3.13Å; V207-M210 VanDerWaalsContact O-N 3.14Å; N208-M210 PolarHBondContact O-N 3.5Å; M210-V237 HydrophobicContact CE-CG1 4.4Å; M210-V237 HydrophobicContact CG-CG2 4.05Å; M210-V237 HydrophobicContact SD-CG2 4.49Å; M210-Y293 PolarHBondContact O-OH 3.15Å; M210-Y294 HydrophobicContact CB-CD1 4.35Å; M210-Y294 HydrophobicContact CG-CD1 4.34Å; M210-Y294 HydrophobicContact SD-CD1 3.84Å; M210-Y294 HydrophobicContact SD-CG 4.47Å; M210-R297 HydrophobicContact CE-CB 4.09Å; M210-R297 HydrophobicContact SD-CB 3.67Å; M210-V298 HydrophobicContact CE-CG2 3.97Å
211E97.1Very high97.7Very high88 Ų8845.5 Ų45.541%0.41123%0.232SC..  trans51.356.5-171.9-62.6167.9-172.300112.3R190 N208 A209 R297R190-E211 VanDerWaalsContact CZ-O 3.26Å; R190-E211 IonicContact CZ-OE2 3.62Å; R190-E211 PolarHBondContact NE-O 3.46Å; R190-E211 IonicContact NH1-OE2 2.97Å; R190-E211 PolarHBondContact NH1-OE2 3.12Å; R190-E211 PolarHBondContact NH2-O 3.31Å; R190-E211 IonicContact NH2-OE2 3.99Å; R190-E211 PolarHBondContact NH2-OE2 3.33Å; N208-E211 PolarHBondContact O-N 3.43Å; A209-E211 PolarHBondContact O-N 3.2Å; E211-R297 VanDerWaalsContact CG-NH2 3.32Å; E211-R297 IonicContact OE1-CZ 2.65Å; E211-R297 IonicContact OE1-NH1 3.37Å; E211-R297 PolarHBondContact OE1-NH1 2.89Å; E211-R297 IonicContact OE1-NH2 3.18Å; E211-R297 PolarHBondContact OE1-NH2 3.23Å
212P97.9Very high97.9Very high31 Ų3138.8 Ų38.820%0.20120%0.202CC..  trans-65140.6179.627.8-33000110.6R190 V192 V207 D214 I215R190-P212 CarbonylContact O-C 3.56Å; R190-P212 WeakPolarHBondContact O-CA 3.24Å; V192-P212 HydrophobicContact CB-CB 4.1Å; V192-P212 HydrophobicContact CG2-CB 3.84Å; V207-P212 HydrophobicContact CG1-CG 4.4Å; V207-P212 VanDerWaalsContact O-CD 3.31Å; V207-P212 WeakPolarHBondContact O-CD 3.37Å; P212-D214 WeakPolarHBondContact CB-O 3.45Å; P212-I215 HydrophobicContact CB-CG1 3.87Å; P212-I215 HydrophobicContact CG-CD1 3.82Å; P212-I215 HydrophobicContact CG-CG1 3.6Å
213H98.3Very high98Very high96 Ų9637.4 Ų37.444%0.44419%0.194SC..SBendtrans-73.9-37.1163.1-64.191.2000110.4D188 R190D188-H213 PolarHBondContact O-CE1 3.38Å; R190-H213 PolarHBondContact N-ND1 2.94Å; R190-H213 PolarHBondContact O-N 2.98Å
214D98.3Very high98Very high90 Ų9037.8 Ų37.848%0.48120%0.195SC..EExtended strand (participates in β ladder)trans-140.9149.8177.4-68.3-58.5000110.8R190 I191 V192 P212R190-D214 PolarHBondContact O-N 2.97Å; I191-D214 WeakPolarHBondContact CA-O 3.15Å; I191-D214 HydrophobicContact CG1-CB 4.31Å; I191-D214 HydrophobicContact CG2-CB 4.21Å; V192-D214 PolarHBondContact N-O 2.77Å; P212-D214 WeakPolarHBondContact CB-O 3.45Å
215I98.4Very high98.1Very high70 Ų7036.1 Ų36.136%0.35919%0.185SC..EExtended strand (participates in β ladder)trans-121.9122.6176.9-59.7167.1000109.2V192 T194 V207 P212 R217V192-I215 CarbonylContact O-C 3.56Å; V192-I215 VanDerWaalsContact O-CA 3.3Å; V192-I215 WeakPolarHBondContact O-CA 3.43Å; T194-I215 HydrophobicContact CG2-CG2 4.25Å; V207-I215 HydrophobicContact CG1-CD1 3.71Å; V207-I215 HydrophobicContact CG1-CG1 3.92Å; V207-I215 HydrophobicContact CG1-CG2 4.2Å; P212-I215 HydrophobicContact CB-CG1 3.87Å; P212-I215 HydrophobicContact CG-CD1 3.82Å; P212-I215 HydrophobicContact CG-CG1 3.6Å; I215-R217 HydrophobicContact CG2-CG 4.21Å
216I98.3Very high98.1Very high51 Ų5133.6 Ų33.626%0.26217%0.171SC..EExtended strand (participates in β ladder)trans-101.2125174.6-59.5174.5000108.4I191 V192 T193 T194 V218 K232I191-I216 HydrophobicContact CG2-CD1 3.55Å; I191-I216 HydrophobicContact CG2-CG1 3.86Å; V192-I216 PolarHBondContact O-N 3.35Å; T193-I216 CarbonylContact C-O 3.37Å; T193-I216 VanDerWaalsContact CA-O 3.3Å; T193-I216 WeakPolarHBondContact CA-O 3.46Å; T194-I216 PolarHBondContact N-O 2.65Å; I216-V218 HydrophobicContact CG2-CG1 3.74Å; I216-V218 HydrophobicContact CG2-CG2 4.24Å; I216-K232 WeakPolarHBondContact CD1-O 3.39Å
217R98.1Very high98.2Very high108 Ų10834.3 Ų34.341%0.40818%0.175SC..EExtended strand (participates in β ladder)trans-111.8108.4177.1-67.6-176-179.7-90.72.1110.1T194 S199 I215T194-R217 HydrophobicContact CG2-CG 4.09Å; S199-R217 PolarHBondContact OG-NH1 3.03Å; I215-R217 HydrophobicContact CG2-CG 4.21Å
218V97.9Very high98.2Very high21 Ų2134.3 Ų34.313%0.12718%0.175CC..EExtended strand (participates in β ladder)trans-140158-174.2-72.30000112.5N132 T193 T194 R196 I216 K224 Q227N132-V218 WeakPolarHBondContact OD1-CB 3.27Å; T193-V218 WeakPolarHBondContact OG1-CG2 3.47Å; T194-V218 PolarHBondContact O-N 3.42Å; R196-V218 PolarHBondContact N-O 3.2Å; I216-V218 HydrophobicContact CG2-CG1 3.74Å; I216-V218 HydrophobicContact CG2-CG2 4.24Å; V218-K224 HydrophobicContact CG2-CD 4.13Å; V218-K224 HydrophobicContact CG2-CG 3.61Å; V218-Q227 VanDerWaalsContact CG2-NE2 3.33Å
219G96.6Very high98.2Very high3 Ų329.8 Ų29.83%0.03115%0.151CC..SBendtrans-76.4169.5168.700000112.7E124 N223E124-G219 WeakPolarHBondContact OE2-CA 3.4Å; G219-N223 PolarHBondContact O-ND2 3.46Å
220G97.1Very high98.3Very high5 Ų530 Ų305%0.05215%0.148CC..  trans78.3114.9169.700000114.7D120 K224D120-G220 VanDerWaalsContact OD1-CA 3.29Å; D120-G220 WeakPolarHBondContact OD1-CA 3.44Å; D120-G220 WeakPolarHBondContact OD2-CA 3.41Å; G220-K224 WeakPolarHBondContact O-CE 3.46Å; G220-K224 WeakPolarHBondContact O-CG 3.49Å; G220-K224 PolarHBondContact O-N 2.67Å; G220-K224 VanDerWaalsContact O-N 3.09Å; G220-K224 PolarHBondContact O-NZ 3.46Å
221A98.3Very high98.3Very high4 Ų430.7 Ų30.73%0.03316%0.155CC..Hα-helixtrans-60-45.4170.800000111.4D120 K224 I225 D247D120-A221 VanDerWaalsContact CG-N 3.28Å; D120-A221 PolarHBondContact OD1-N 3.4Å; D120-A221 PolarHBondContact OD2-N 3.34Å; A221-K224 PolarHBondContact O-N 2.98Å; A221-I225 PolarHBondContact O-N 2.81Å; A221-I225 VanDerWaalsContact O-N 3.13Å; A221-D247 HydrophobicContact CB-CB 3.83Å; A221-D247 WeakPolarHBondContact CB-O 3.4Å
222G98.6Very high98.3Very high0 Ų031.5 Ų31.50%016%0.157CC..Hα-helixtrans-60.1-45.7175.200000112.5D120 K224 I225 I226D120-G222 PolarHBondContact OD2-N 3.43Å; G222-K224 VanDerWaalsContact C-N 3.32Å; G222-K224 PolarHBondContact O-N 2.88Å; G222-I225 PolarHBondContact O-N 3.21Å; G222-I225 VanDerWaalsContact O-N 3.15Å; G222-I226 WeakPolarHBondContact O-CG1 3.29Å; G222-I226 PolarHBondContact O-N 3.26Å
223N98.8Very high98.4Very high10 Ų1030.1 Ų30.15%0.05315%0.148CC..Hα-helixtrans-58.2-41.7174.9175.443.2000112.5N132 G219 I225 I226 Q227N132-N223 WeakPolarHBondContact O-CB 3.47Å; N132-N223 PolarHBondContact OD1-ND2 3.3Å; G219-N223 PolarHBondContact O-ND2 3.46Å; N223-I225 VanDerWaalsContact C-N 3.32Å; N223-I225 PolarHBondContact O-N 2.91Å; N223-I226 WeakPolarHBondContact O-CB 3.16Å; N223-I226 PolarHBondContact O-N 2.74Å; N223-Q227 WeakPolarHBondContact O-CG 3.37Å; N223-Q227 PolarHBondContact O-N 3.16Å
224K98.8Very high98.4Very high8 Ų826.2 Ų26.24%0.03513%0.132CC..Hα-helixtrans-65.4-34.5177.4-74.1-177.4-67.1-69.40112.4T193 V218 G220 A221 G222 Q227 L228 Y236T193-K224 HydrophobicContact CG2-CB 3.94Å; T193-K224 HydrophobicContact CG2-CD 4.3Å; T193-K224 HydrophobicContact CG2-CG 3.96Å; V218-K224 HydrophobicContact CG2-CD 4.13Å; V218-K224 HydrophobicContact CG2-CG 3.61Å; G220-K224 WeakPolarHBondContact O-CE 3.46Å; G220-K224 WeakPolarHBondContact O-CG 3.49Å; G220-K224 PolarHBondContact O-N 2.67Å; G220-K224 VanDerWaalsContact O-N 3.09Å; G220-K224 PolarHBondContact O-NZ 3.46Å; A221-K224 PolarHBondContact O-N 2.98Å; G222-K224 VanDerWaalsContact C-N 3.32Å; G222-K224 PolarHBondContact O-N 2.88Å; K224-Q227 WeakPolarHBondContact O-CB 3.44Å; K224-Q227 PolarHBondContact O-N 3.09Å; K224-L228 WeakPolarHBondContact O-CG 3.41Å; K224-L228 PolarHBondContact O-N 3.28Å; K224-Y236 HydrophobicContact CB-CD1 4.02Å; K224-Y236 HydrophobicContact CB-CD2 4.16Å; K224-Y236 HydrophobicContact CB-CE1 4.35Å; K224-Y236 HydrophobicContact CB-CG 3.93Å; K224-Y236 HydrophobicContact CD-CD2 3.56Å; K224-Y236 HydrophobicContact CD-CE2 3.47Å; K224-Y236 VanDerWaalsContact CD-CE2 3.47Å; K224-Y236 HydrophobicContact CD-CG 4.23Å; K224-Y236 WeakPolarHBondContact CE-OH 3.36Å; K224-Y236 HydrophobicContact CG-CD2 4.41Å
225I98.9Very high98.4Very high2 Ų222 Ų221%0.0111%0.109CC..Hα-helixtrans-70.1-38.6171.8-61.1-51.6000112A221 G222 N223 Q227 L228 I229 Y236 P251 L255 L262 A286A221-I225 PolarHBondContact O-N 2.81Å; A221-I225 VanDerWaalsContact O-N 3.13Å; G222-I225 PolarHBondContact O-N 3.21Å; G222-I225 VanDerWaalsContact O-N 3.15Å; N223-I225 VanDerWaalsContact C-N 3.32Å; N223-I225 PolarHBondContact O-N 2.91Å; I225-Q227 VanDerWaalsContact C-N 3.25Å; I225-Q227 PolarHBondContact O-N 2.93Å; I225-L228 HydrophobicContact CD1-CD1 3.86Å; I225-L228 WeakPolarHBondContact O-CB 3.49Å; I225-L228 PolarHBondContact O-N 2.91Å; I225-I229 PolarHBondContact O-N 2.97Å; I225-I229 VanDerWaalsContact O-N 3.1Å; I225-Y236 HydrophobicContact CD1-CD1 3.98Å; I225-P251 HydrophobicContact CB-CB 3.87Å; I225-P251 HydrophobicContact CG1-CB 3.49Å; I225-P251 VanDerWaalsContact CG1-CB 3.49Å; I225-P251 HydrophobicContact CG2-CB 4.09Å; I225-L255 HydrophobicContact CD1-CD2 4.2Å; I225-L255 HydrophobicContact CG2-CB 4.01Å; I225-L262 HydrophobicContact CD1-CD1 4.05Å; I225-A286 HydrophobicContact CD1-CB 3.58Å
226I98.9Very high98.4Very high1 Ų118.9 Ų18.91%0.0059%0.093CC..Hα-helixtrans-57-41.5171.8-68.8170.4000110.6T134 I150 R167 I169 G222 N223 L228 I229 E230T134-I226 HydrophobicContact CG2-CD1 3.98Å; I150-I226 HydrophobicContact CG2-CD1 4.04Å; R167-I226 VanDerWaalsContact NH2-CG2 3.32Å; I169-I226 HydrophobicContact CD1-CD1 4.05Å; I169-I226 HydrophobicContact CD1-CG1 3.94Å; G222-I226 WeakPolarHBondContact O-CG1 3.29Å; G222-I226 PolarHBondContact O-N 3.26Å; N223-I226 WeakPolarHBondContact O-CB 3.16Å; N223-I226 PolarHBondContact O-N 2.74Å; I226-L228 VanDerWaalsContact C-N 3.26Å; I226-L228 PolarHBondContact O-N 2.94Å; I226-I229 WeakPolarHBondContact O-CG1 3.32Å; I226-I229 PolarHBondContact O-N 2.85Å; I226-E230 HydrophobicContact CG2-CG 4.19Å; I226-E230 WeakPolarHBondContact CG2-OE2 3.42Å; I226-E230 WeakPolarHBondContact O-CB 3.49Å; I226-E230 WeakPolarHBondContact O-CG 3.36Å; I226-E230 PolarHBondContact O-N 3.46Å
227Q98.8Very high98.4Very high15 Ų1516.4 Ų16.47%0.078%0.08CC..Hα-helixtrans-61.5-32.4175.4-70.7-178.715.100113.3T193 V218 N223 K224 I225 G231 K232 A233T193-Q227 VanDerWaalsContact CB-OE1 3.29Å; T193-Q227 PolarHBondContact OG1-OE1 3.19Å; V218-Q227 VanDerWaalsContact CG2-NE2 3.33Å; N223-Q227 WeakPolarHBondContact O-CG 3.37Å; N223-Q227 PolarHBondContact O-N 3.16Å; K224-Q227 WeakPolarHBondContact O-CB 3.44Å; K224-Q227 PolarHBondContact O-N 3.09Å; I225-Q227 VanDerWaalsContact C-N 3.25Å; I225-Q227 PolarHBondContact O-N 2.93Å; Q227-G231 PolarHBondContact O-N 2.94Å; Q227-K232 HydrophobicContact CB-CB 3.96Å; Q227-K232 HydrophobicContact CG-CB 4.13Å; Q227-K232 HydrophobicContact CG-CD 4.19Å; Q227-K232 WeakPolarHBondContact O-CA 3.43Å; Q227-K232 PolarHBondContact O-N 2.9Å; Q227-A233 HydrophobicContact CB-CB 4.05Å; Q227-A233 PolarHBondContact O-N 3.37Å
228L98.9Very high98.4Very high1 Ų111.6 Ų11.61%0.0056%0.062CC..Hα-helixtrans-70.6-49176.3-58.7-178.3000111.6K224 I225 I226 E230 G231 A233 L255 A286K224-L228 WeakPolarHBondContact O-CG 3.41Å; K224-L228 PolarHBondContact O-N 3.28Å; I225-L228 HydrophobicContact CD1-CD1 3.86Å; I225-L228 WeakPolarHBondContact O-CB 3.49Å; I225-L228 PolarHBondContact O-N 2.91Å; I226-L228 VanDerWaalsContact C-N 3.26Å; I226-L228 PolarHBondContact O-N 2.94Å; L228-E230 VanDerWaalsContact C-N 3.28Å; L228-E230 PolarHBondContact O-N 2.8Å; L228-G231 PolarHBondContact O-N 3.42Å; L228-A233 HydrophobicContact CD2-CB 3.98Å; L228-A233 WeakPolarHBondContact CD2-O 3.25Å; L228-L255 HydrophobicContact CB-CD1 4.44Å; L228-L255 HydrophobicContact CD1-CD1 4.5Å; L228-L255 HydrophobicContact CD1-CD2 4.1Å; L228-A286 HydrophobicContact CD1-CB 3.78Å; L228-A286 WeakPolarHBondContact CD1-O 3.27Å
229I98.8Very high98.4Very high0 Ų010.6 Ų10.60%06%0.056CC..Hα-helixtrans-73.8-20.3-175.669.6-174.3000112.6F180 L182 Q183 I225 I226 I254 L255 V258F180-I229 HydrophobicContact CD1-CD1 3.93Å; F180-I229 HydrophobicContact CD2-CB 4.14Å; F180-I229 HydrophobicContact CD2-CD1 3.85Å; F180-I229 HydrophobicContact CD2-CG1 3.79Å; F180-I229 HydrophobicContact CE1-CD1 3.85Å; F180-I229 HydrophobicContact CE2-CB 3.61Å; F180-I229 HydrophobicContact CE2-CD1 3.79Å; F180-I229 HydrophobicContact CE2-CG1 3.74Å; F180-I229 HydrophobicContact CG-CD1 3.93Å; F180-I229 HydrophobicContact CG-CG1 4.32Å; F180-I229 HydrophobicContact CZ-CB 4.08Å; F180-I229 HydrophobicContact CZ-CD1 3.77Å; F180-I229 HydrophobicContact CZ-CG1 4.2Å; L182-I229 WeakPolarHBondContact CA-O 3.48Å; L182-I229 HydrophobicContact CD1-CB 4.38Å; L182-I229 WeakPolarHBondContact CD1-O 3.49Å; Q183-I229 PolarHBondContact N-O 2.84Å; I225-I229 PolarHBondContact O-N 2.97Å; I225-I229 VanDerWaalsContact O-N 3.1Å; I226-I229 WeakPolarHBondContact O-CG1 3.32Å; I226-I229 PolarHBondContact O-N 2.85Å; I229-I254 HydrophobicContact CD1-CG2 3.93Å; I229-L255 HydrophobicContact CG2-CD1 3.87Å; I229-V258 HydrophobicContact CG2-CG2 3.97Å
230E98.7Very high98.4Very high26 Ų2611 Ų1112%0.1216%0.058CC..BIsolated β-bridgetrans-99.211.6174.2-62.3-170.8149.100113.5R167 I226 L228 K232R167-E230 IonicContact CZ-OE1 2.85Å; R167-E230 IonicContact NH1-OE1 3.28Å; R167-E230 PolarHBondContact NH1-OE1 2.83Å; R167-E230 IonicContact NH2-OE1 3.44Å; R167-E230 PolarHBondContact NH2-OE1 2.54Å; R167-E230 IonicContact NH2-OE2 2.9Å; R167-E230 PolarHBondContact NH2-OE2 2.76Å; I226-E230 HydrophobicContact CG2-CG 4.19Å; I226-E230 WeakPolarHBondContact CG2-OE2 3.42Å; I226-E230 WeakPolarHBondContact O-CB 3.49Å; I226-E230 WeakPolarHBondContact O-CG 3.36Å; I226-E230 PolarHBondContact O-N 3.46Å; L228-E230 VanDerWaalsContact C-N 3.28Å; L228-E230 PolarHBondContact O-N 2.8Å; E230-K232 PolarHBondContact O-N 2.82Å; E230-K232 IonicContact OE2-NZ 3.06Å; E230-K232 PolarHBondContact OE2-NZ 3.17Å
231G98.3Very high98.3Very high14 Ų1413.9 Ų13.914%0.1448%0.077CC..THydrogen-bonded Turntrans6623.6173.600000114.7Q183 V185 Q227 L228Q183-G231 WeakPolarHBondContact O-CA 3.32Å; Q183-G231 PolarHBondContact O-N 3.5Å; V185-G231 WeakPolarHBondContact CG2-O 3.17Å; Q227-G231 PolarHBondContact O-N 2.94Å; L228-G231 PolarHBondContact O-N 3.42Å
232K98.4Very high97.8Very high106 Ų10615.4 Ų15.446%0.4619%0.093SC..SBendtrans-85.6-29.3173.6-62.5173.8179.3155.40111.9I191 I216 Q227 E230I191-K232 WeakPolarHBondContact CG2-O 3.34Å; I216-K232 WeakPolarHBondContact CD1-O 3.39Å; Q227-K232 HydrophobicContact CB-CB 3.96Å; Q227-K232 HydrophobicContact CG-CB 4.13Å; Q227-K232 HydrophobicContact CG-CD 4.19Å; Q227-K232 WeakPolarHBondContact O-CA 3.43Å; Q227-K232 PolarHBondContact O-N 2.9Å; E230-K232 PolarHBondContact O-N 2.82Å; E230-K232 IonicContact OE2-NZ 3.06Å; E230-K232 PolarHBondContact OE2-NZ 3.17Å
233A98.6Very high97.5Very high1 Ų116.1 Ų16.11%0.00810%0.098CC..  trans-136.5148.6176.200000110.9V185 I191 T193 Q227 L228V185-A233 VanDerWaalsContact CG2-C 3.4Å; V185-A233 WeakPolarHBondContact CG2-O 3.4Å; I191-A233 HydrophobicContact CG2-CB 4.47Å; T193-A233 HydrophobicContact CG2-CB 3.7Å; Q227-A233 HydrophobicContact CB-CB 4.05Å; Q227-A233 PolarHBondContact O-N 3.37Å; L228-A233 HydrophobicContact CD2-CB 3.98Å; L228-A233 WeakPolarHBondContact CD2-O 3.25Å
234S98.4Very high97.4Very high15 Ų1518.3 Ų18.311%0.10511%0.106CC..SBendtrans-91.7-31.4179.5630000112.3I191 Y294I191-S234 PolarHBondContact N-OG 2.73Å; I191-S234 PolarHBondContact O-N 2.9Å; I191-S234 PolarHBondContact O-OG 3.27Å; S234-Y294 WeakPolarHBondContact CB-OH 3.46Å; S234-Y294 PolarHBondContact OG-OH 3.43Å
235A98.8Very high97.4Very high0 Ų018.1 Ų18.10%011%0.106CC..EExtended strand (participates in β ladder)trans-145.3142.2176.900000111I191 V192 T193 V237 A286 T287 Y294I191-A235 PolarHBondContact O-N 3.42Å; V192-A235 CarbonylContact C-O 3.6Å; V192-A235 WeakPolarHBondContact CA-O 3.24Å; T193-A235 PolarHBondContact N-O 3.38Å; A235-V237 HydrophobicContact CB-CG2 4.15Å; A235-A286 CarbonylContact C-O 3.53Å; A235-A286 WeakPolarHBondContact CA-O 3.05Å; A235-T287 HydrophobicContact CB-CG2 3.85Å; A235-Y294 HydrophobicContact CB-CD1 3.59Å; A235-Y294 HydrophobicContact CB-CD2 4.21Å; A235-Y294 HydrophobicContact CB-CE1 3.47Å; A235-Y294 VanDerWaalsContact CB-CE1 3.47Å; A235-Y294 HydrophobicContact CB-CE2 4.1Å; A235-Y294 HydrophobicContact CB-CG 3.96Å
236Y98.8Very high97.4Very high5 Ų518.6 Ų18.62%0.0211%0.107CC..EExtended strand (participates in β ladder)trans-100.4118.1164166.1-151000107.8T193 K224 I225 F238 V284 L285 A286T193-Y236 HydrophobicContact CG2-CD2 4.43Å; T193-Y236 HydrophobicContact CG2-CG 4.4Å; T193-Y236 WeakPolarHBondContact O-CA 3.32Å; K224-Y236 HydrophobicContact CB-CD1 4.02Å; K224-Y236 HydrophobicContact CB-CD2 4.16Å; K224-Y236 HydrophobicContact CB-CE1 4.35Å; K224-Y236 HydrophobicContact CB-CG 3.93Å; K224-Y236 HydrophobicContact CD-CD2 3.56Å; K224-Y236 HydrophobicContact CD-CE2 3.47Å; K224-Y236 VanDerWaalsContact CD-CE2 3.47Å; K224-Y236 HydrophobicContact CD-CG 4.23Å; K224-Y236 WeakPolarHBondContact CE-OH 3.36Å; K224-Y236 HydrophobicContact CG-CD2 4.41Å; I225-Y236 HydrophobicContact CD1-CD1 3.98Å; Y236-F238 HydrophobicContact CE2-CB 3.55Å; Y236-V284 HydrophobicContact CD1-CG1 4.06Å; Y236-V284 HydrophobicContact CE1-CB 4.18Å; Y236-V284 HydrophobicContact CE1-CG1 3.65Å; Y236-L285 WeakPolarHBondContact O-CA 3.33Å; Y236-A286 HydrophobicContact CD1-CB 4.18Å; Y236-A286 PolarHBondContact N-O 3.49Å; Y236-A286 PolarHBondContact O-N 3.42Å
237V98.8Very high97.4Very high0 Ų019.5 Ų19.50%011%0.112CC..EExtended strand (participates in β ladder)trans-123.2119.5-178.5-175.80000110.4V192 T193 T194 C206 V207 M210 A235 M265 L285V192-V237 HydrophobicContact CG1-CB 3.99Å; V192-V237 HydrophobicContact CG1-CG2 3.8Å; T193-V237 PolarHBondContact O-N 3.39Å; T194-V237 VanDerWaalsContact CB-O 3.27Å; T194-V237 WeakPolarHBondContact CB-O 3.36Å; T194-V237 PolarHBondContact OG1-O 2.75Å; C206-V237 HydrophobicContact CB-CG1 4.34Å; V207-V237 HydrophobicContact CG2-CB 4.15Å; V207-V237 HydrophobicContact CG2-CG1 4.19Å; M210-V237 HydrophobicContact CE-CG1 4.4Å; M210-V237 HydrophobicContact CG-CG2 4.05Å; M210-V237 HydrophobicContact SD-CG2 4.49Å; A235-V237 HydrophobicContact CB-CG2 4.15Å; V237-M265 HydrophobicContact CG1-CE 4.27Å; V237-M265 HydrophobicContact CG1-SD 4.42Å; V237-L285 HydrophobicContact CG2-CD1 3.75Å
238F98.4Very high97.4Very high6 Ų619 Ų193%0.02611%0.11CC..EExtended strand (participates in β ladder)trans-138.583.3176.5-179.8-119.9000110.6T195 H198 V203 Y236 S240 C243 G283 V284T195-F238 HydrophobicContact CG2-CD2 3.8Å; T195-F238 HydrophobicContact CG2-CE2 3.76Å; H198-F238 HydrophobicContact CB-CE2 4.49Å; V203-F238 HydrophobicContact CG2-CD2 4.02Å; V203-F238 HydrophobicContact CG2-CE2 4.17Å; Y236-F238 HydrophobicContact CE2-CB 3.55Å; F238-S240 WeakPolarHBondContact CE1-O 3.33Å; F238-S240 PolarHBondContact O-N 3.41Å; F238-C243 HydrophobicContact CE1-CB 4.43Å; F238-G283 CarbonylContact O-C 3.56Å; F238-G283 WeakPolarHBondContact O-CA 3.42Å; F238-V284 HydrophobicContact CB-CB 4.48Å; F238-V284 PolarHBondContact N-O 2.64Å; F238-V284 PolarHBondContact O-N 2.97Å
239A97.8Very high97.4Very high0 Ų018.9 Ų18.90%011%0.11CC..  trans-80.262.8179.200000112.3T202 C206 M265 V302 L306T202-A239 HydrophobicContact CG2-CB 4.18Å; T202-A239 VanDerWaalsContact CG2-O 3.26Å; T202-A239 WeakPolarHBondContact CG2-O 3.42Å; C206-A239 HydrophobicContact CB-CB 3.53Å; A239-M265 HydrophobicContact CB-CE 4.4Å; A239-M265 HydrophobicContact CB-CG 4.03Å; A239-M265 HydrophobicContact CB-SD 4.04Å; A239-V302 HydrophobicContact CB-CG1 3.62Å; A239-L306 HydrophobicContact CB-CD1 4.23Å
240S96.8Very high97.4Very high11 Ų1118.9 Ų18.98%0.07711%0.11CC..SBendtrans-156.5150.1177.6-178.40000110.7N200 F238 G283N200-S240 PolarHBondContact ND2-OG 2.76Å; N200-S240 VanDerWaalsContact ND2-OG 3.13Å; F238-S240 WeakPolarHBondContact CE1-O 3.33Å; F238-S240 PolarHBondContact O-N 3.41Å; S240-G283 VanDerWaalsContact O-CA 3.28Å; S240-G283 WeakPolarHBondContact O-CA 3.49Å
241P93.8Very high97.4Very high67 Ų6717.7 Ų17.744%0.43510%0.104SC..SBendtrans-62157.2159.729.8-35.9000110.2M279P241-M279 HydrophobicContact CB-SD 4.28Å
242G88Confident97.5Very high36 Ų3617.5 Ų17.537%0.37110%0.099SC..  trans151.9-55.8172.200000112.4K244 M279G242-K244 PolarHBondContact O-NZ 2.94Å; G242-M279 PolarHBondContact N-SD 2.83Å; G242-M279 VanDerWaalsContact N-SD 3.42Å
243C92.3Very high97.5Very high15 Ų1512.4 Ų12.410%0.1018%0.077CC..  trans-62.8152.7171.2-67.30000110.4F238 D247 N280 V284F238-C243 HydrophobicContact CE1-CB 4.43Å; C243-D247 HydrophobicContact CB-CB 4.01Å; C243-N280 VanDerWaalsContact O-CB 3.29Å; C243-N280 WeakPolarHBondContact O-CB 3.43Å; C243-N280 PolarHBondContact O-N 3.25Å; C243-V284 HydrophobicContact CB-CG2 4.35Å
244K97.5Very high97.5Very high55 Ų5512.4 Ų12.424%0.2398%0.077CC..BIsolated β-bridgetrans-126.2-177.7-178.9-66175.9-169.578.50110G242 W246 D247 T248 H278 M279 N280G242-K244 PolarHBondContact O-NZ 2.94Å; K244-W246 VanDerWaalsContact C-N 3.28Å; K244-W246 HydrophobicContact CB-CD2 3.97Å; K244-W246 HydrophobicContact CB-CG 4.4Å; K244-W246 HydrophobicContact CB-CZ2 3.98Å; K244-W246 HydrophobicContact CD-CH2 3.65Å; K244-W246 HydrophobicContact CD-CZ2 3.04Å; K244-W246 HydrophobicContact CG-CZ2 4.13Å; K244-W246 PolarHBondContact O-N 2.85Å; K244-D247 WeakPolarHBondContact CA-OD2 3.4Å; K244-D247 PolarHBondContact N-OD2 3.21Å; K244-D247 WeakPolarHBondContact O-CB 3.32Å; K244-D247 PolarHBondContact O-N 3.06Å; K244-T248 PolarHBondContact O-OG1 2.79Å; K244-H278 CarbonylContact C-O 3.54Å; K244-H278 WeakPolarHBondContact CA-O 3.39Å; K244-H278 HydrophobicContact CB-CB 4.44Å; K244-H278 WeakPolarHBondContact CB-O 3.29Å; K244-H278 HydrophobicContact CD-CB 4.31Å; K244-H278 HydrophobicContact CG-CB 4.46Å; K244-M279 HydrophobicContact CG-SD 4.44Å; K244-N280 PolarHBondContact O-ND2 3.04Å
245K98.6Very high97.5Very high5 Ų511.7 Ų11.72%0.0227%0.072CC..Hα-helixtrans-62.2-34.5-177.3-63.4-56.9177.6-69.60112.6W115 T248 C249 H271 Y272 I276 K277 H278 M279 N280W115-K245 HydrophobicContact CD2-CB 3.72Å; W115-K245 HydrophobicContact CE3-CB 3.52Å; W115-K245 HydrophobicContact CH2-CB 3.79Å; W115-K245 HydrophobicContact CH2-CG 4.03Å; W115-K245 HydrophobicContact CZ2-CB 3.97Å; W115-K245 HydrophobicContact CZ2-CG 4.2Å; W115-K245 HydrophobicContact CZ3-CB 3.56Å; W115-K245 HydrophobicContact CZ3-CG 4.23Å; K245-T248 PolarHBondContact O-N 3.12Å; K245-T248 PolarHBondContact O-OG1 3.06Å; K245-C249 VanDerWaalsContact O-CB 3.27Å; K245-C249 WeakPolarHBondContact O-CB 3.29Å; K245-C249 PolarHBondContact O-N 2.9Å; K245-H271 VanDerWaalsContact CD-O 3.31Å; K245-H271 WeakPolarHBondContact CD-O 3.5Å; K245-H271 WeakPolarHBondContact CE-O 3.35Å; K245-Y272 HydrophobicContact CB-CD1 3.94Å; K245-Y272 HydrophobicContact CB-CE1 3.97Å; K245-Y272 HydrophobicContact CD-CD1 3.91Å; K245-Y272 HydrophobicContact CD-CE1 3.74Å; K245-Y272 HydrophobicContact CG-CD1 4.31Å; K245-Y272 HydrophobicContact CG-CE1 4.39Å; K245-Y272 WeakPolarHBondContact O-CE1 3.29Å; K245-I276 HydrophobicContact CD-CG2 4.33Å; K245-I276 HydrophobicContact CG-CG2 3.88Å; K245-K277 PolarHBondContact NZ-O 3.07Å; K245-H278 WeakPolarHBondContact CG-O 3.13Å; K245-H278 PolarHBondContact N-O 3.45Å; K245-M279 PolarHBondContact NZ-O 2.7Å; K245-N280 WeakPolarHBondContact CD-OD1 3.35Å; K245-N280 WeakPolarHBondContact CE-OD1 3.32Å; K245-N280 PolarHBondContact NZ-OD1 3.42Å
246W98.7Very high97.5Very high12 Ų1214.4 Ų14.45%0.0459%0.085CC..Hα-helixtrans-66.3-33.9175.445.581.6000113.8I72 E74 W115 V116 D117 K244 T248 H278I72-W246 HydrophobicContact CG2-CE3 4.45Å; I72-W246 HydrophobicContact CG2-CZ3 4.25Å; E74-W246 VanDerWaalsContact CA-CZ2 3.49Å; E74-W246 HydrophobicContact CB-CD2 4.03Å; E74-W246 HydrophobicContact CB-CG 4.19Å; E74-W246 HydrophobicContact CB-CZ2 3.86Å; E74-W246 HydrophobicContact CG-CZ2 3.74Å; E74-W246 PolarHBondContact OE2-NE1 2.88Å; E74-W246 VanDerWaalsContact OE2-NE1 3.12Å; W115-W246 HydrophobicContact CB-CB 4.45Å; W115-W246 AromaticContact CE3-CE3 3.79Å; W115-W246 HydrophobicContact CE3-CE3 3.79Å; W115-W246 AromaticContact CZ3-CE3 3.78Å; W115-W246 HydrophobicContact CZ3-CE3 3.78Å; W115-W246 HydrophobicContact CZ3-CZ3 4.08Å; V116-W246 WeakPolarHBondContact O-CB 3.48Å; D117-W246 HydrophobicContact CB-CB 4.12Å; K244-W246 VanDerWaalsContact C-N 3.28Å; K244-W246 HydrophobicContact CB-CD2 3.97Å; K244-W246 HydrophobicContact CB-CG 4.4Å; K244-W246 HydrophobicContact CB-CZ2 3.98Å; K244-W246 HydrophobicContact CD-CH2 3.65Å; K244-W246 HydrophobicContact CD-CZ2 3.04Å; K244-W246 HydrophobicContact CG-CZ2 4.13Å; K244-W246 PolarHBondContact O-N 2.85Å; W246-T248 PolarHBondContact O-N 2.82Å; W246-H278 HydrophobicContact CH2-CB 4.05Å; W246-H278 AromaticContact CH2-ND1 3.49Å; W246-H278 WeakPolarHBondContact CH2-ND1 3.31Å; W246-H278 HydrophobicContact CZ3-CB 3.93Å; W246-H278 AromaticContact CZ3-CE1 3.94Å; W246-H278 AromaticContact CZ3-CG 3.68Å; W246-H278 AromaticContact CZ3-ND1 3.3Å; W246-H278 VanDerWaalsContact CZ3-ND1 3.3Å; W246-H278 WeakPolarHBondContact CZ3-ND1 3.28Å
247D98.7Very high97.5Very high20 Ų2015.2 Ų15.211%0.1079%0.092CC..Hα-helixtrans-64.5-25.9174.2-58.7-117.2000113.6A221 C243 K244 P251A221-D247 HydrophobicContact CB-CB 3.83Å; A221-D247 WeakPolarHBondContact CB-O 3.4Å; C243-D247 HydrophobicContact CB-CB 4.01Å; K244-D247 WeakPolarHBondContact CA-OD2 3.4Å; K244-D247 PolarHBondContact N-OD2 3.21Å; K244-D247 WeakPolarHBondContact O-CB 3.32Å; K244-D247 PolarHBondContact O-N 3.06Å; D247-P251 WeakPolarHBondContact O-CG 3.17Å
248T98.8Very high97.5Very high3 Ų316.4 Ų16.42%0.01810%0.099CC..Hα-helixtrans-114.8-31.2-166.747.20000114K244 K245 W246 G250 E252 L262 Y272 N280 V284K244-T248 PolarHBondContact O-OG1 2.79Å; K245-T248 PolarHBondContact O-N 3.12Å; K245-T248 PolarHBondContact O-OG1 3.06Å; W246-T248 PolarHBondContact O-N 2.82Å; T248-G250 PolarHBondContact O-N 3.2Å; T248-E252 WeakPolarHBondContact O-CA 3.02Å; T248-E252 WeakPolarHBondContact O-CB 3.43Å; T248-E252 PolarHBondContact O-N 3.39Å; T248-L262 HydrophobicContact CG2-CD1 4.4Å; T248-L262 HydrophobicContact CG2-CD2 4.28Å; T248-Y272 VanDerWaalsContact CB-OH 3.24Å; T248-Y272 WeakPolarHBondContact CB-OH 3.39Å; T248-Y272 PolarHBondContact OG1-OH 3.22Å; T248-N280 WeakPolarHBondContact CG2-ND2 3.36Å; T248-N280 PolarHBondContact OG1-ND2 2.69Å; T248-N280 VanDerWaalsContact OG1-ND2 3.1Å; T248-V284 HydrophobicContact CG2-CG1 4.42Å; T248-V284 HydrophobicContact CG2-CG2 3.95Å
249C98.9Very high97.5Very high0 Ų018.7 Ų18.70%013%0.125CC..Hα-helixtrans-57.9-57.1-173.1-173.30000113W115 A145 K245 A253 Y272W115-C249 HydrophobicContact CB-CB 3.85Å; W115-C249 HydrophobicContact CG-CB 4.14Å; A145-C249 VanDerWaalsContact CB-O 3.32Å; A145-C249 WeakPolarHBondContact CB-O 3.49Å; K245-C249 VanDerWaalsContact O-CB 3.27Å; K245-C249 WeakPolarHBondContact O-CB 3.29Å; K245-C249 PolarHBondContact O-N 2.9Å; C249-A253 PolarHBondContact O-N 3.17Å; C249-Y272 HydrophobicContact CB-CD1 3.59Å; C249-Y272 HydrophobicContact CB-CE1 3.45Å; C249-Y272 VanDerWaalsContact CB-CE1 3.45Å; C249-Y272 HydrophobicContact CB-CG 4.32Å
250G98.8Very high97.6Very high0 Ų019 Ų190%013%0.128CC..Hα-helixtrans-62.4-52.1178.700000112.3G138 T248 E252 A253 I254G138-G250 VanDerWaalsContact CA-CA 3.48Å; T248-G250 PolarHBondContact O-N 3.2Å; G250-E252 PolarHBondContact O-N 2.88Å; G250-A253 PolarHBondContact O-N 3.16Å; G250-I254 WeakPolarHBondContact O-CG1 3.4Å; G250-I254 PolarHBondContact O-N 2.89Å
251P98.9Very high97.7Very high1 Ų123 Ų231%0.00614%0.144CC..Hα-helixtrans-61.8-36.5178.9-26.136.3000115.1L136 I150 I225 D247 I254 L255L136-P251 HydrophobicContact CD1-CG 3.9Å; L136-P251 HydrophobicContact CD2-CG 4.03Å; L136-P251 HydrophobicContact CG-CG 4.48Å; I150-P251 HydrophobicContact CD1-CB 4.21Å; I150-P251 HydrophobicContact CD1-CG 4.13Å; I225-P251 HydrophobicContact CB-CB 3.87Å; I225-P251 HydrophobicContact CG1-CB 3.49Å; I225-P251 VanDerWaalsContact CG1-CB 3.49Å; I225-P251 HydrophobicContact CG2-CB 4.09Å; D247-P251 WeakPolarHBondContact O-CG 3.17Å; P251-I254 PolarHBondContact O-N 3.1Å; P251-L255 WeakPolarHBondContact O-CB 3.42Å; P251-L255 PolarHBondContact O-N 3.14Å
252E98.9Very high97.9Very high9 Ų920 Ų204%0.04212%0.124CC..Hα-helixtrans-60.1-48.9174.4178.9169.6167.200111.1A145 T248 G250 I254 L255 H256 L262 Y272A145-E252 HydrophobicContact CB-CB 4.47Å; T248-E252 WeakPolarHBondContact O-CA 3.02Å; T248-E252 WeakPolarHBondContact O-CB 3.43Å; T248-E252 PolarHBondContact O-N 3.39Å; G250-E252 PolarHBondContact O-N 2.88Å; E252-I254 VanDerWaalsContact C-N 3.31Å; E252-I254 PolarHBondContact O-N 2.69Å; E252-L255 PolarHBondContact O-N 3.14Å; E252-H256 VanDerWaalsContact CG-NE2 3.31Å; E252-H256 WeakPolarHBondContact CG-NE2 3.49Å; E252-H256 WeakPolarHBondContact O-CB 3.3Å; E252-H256 PolarHBondContact O-CD2 2.73Å; E252-H256 PolarHBondContact O-N 3.22Å; E252-H256 IonicContact OE1-CE1 3.43Å; E252-H256 PolarHBondContact OE1-CE1 3.27Å; E252-H256 IonicContact OE1-ND1 3.2Å; E252-H256 IonicContact OE1-NE2 2.76Å; E252-H256 PolarHBondContact OE1-NE2 3.34Å; E252-L262 HydrophobicContact CB-CB 4.31Å; E252-L262 HydrophobicContact CB-CD1 4.2Å; E252-L262 HydrophobicContact CG-CB 4.02Å; E252-Y272 WeakPolarHBondContact OE2-CE2 3.42Å; E252-Y272 PolarHBondContact OE2-OH 3.35Å
253A98.9Very high98.4Very high0 Ų018.9 Ų18.90%011%0.11CC..Hα-helixtrans-58.7-41.8178.600000112.2A145 A147 C249 G250 A257A145-A253 HydrophobicContact CB-CB 4.1Å; A147-A253 VanDerWaalsContact C-CB 3.4Å; C249-A253 PolarHBondContact O-N 3.17Å; G250-A253 PolarHBondContact O-N 3.16Å; A253-A257 VanDerWaalsContact O-CB 3.25Å; A253-A257 WeakPolarHBondContact O-CB 3.3Å; A253-A257 PolarHBondContact O-N 3.18Å
254I98.9Very high98.7Very high0 Ų018.5 Ų18.50%011%0.107CC..Hα-helixtrans-62-49.2175.2-63.2-55.5000111G148 I150 I169 A177 F180 I229 G250 P251 E252 A257G148-I254 WeakPolarHBondContact O-CD1 3.35Å; I150-I254 HydrophobicContact CD1-CB 4.37Å; I150-I254 HydrophobicContact CD1-CG1 3.87Å; I150-I254 HydrophobicContact CG1-CG1 4.14Å; I169-I254 HydrophobicContact CG2-CD1 4.08Å; I169-I254 HydrophobicContact CG2-CG1 4.3Å; I169-I254 HydrophobicContact CG2-CG2 3.95Å; A177-I254 HydrophobicContact CB-CD1 4.32Å; A177-I254 HydrophobicContact CB-CG2 4.11Å; F180-I254 HydrophobicContact CE1-CG2 4.47Å; I229-I254 HydrophobicContact CD1-CG2 3.93Å; G250-I254 WeakPolarHBondContact O-CG1 3.4Å; G250-I254 PolarHBondContact O-N 2.89Å; P251-I254 PolarHBondContact O-N 3.1Å; E252-I254 VanDerWaalsContact C-N 3.31Å; E252-I254 PolarHBondContact O-N 2.69Å; I254-A257 PolarHBondContact O-N 3.35Å
255L98.9Very high98.7Very high0 Ų016 Ų160%010%0.096CC..Hα-helixtrans-64.5-44.4-177-178.760.8000111.8I225 L228 I229 P251 E252 A257 V258 G259 G260 K261 L262 A286 L288I225-L255 HydrophobicContact CD1-CD2 4.2Å; I225-L255 HydrophobicContact CG2-CB 4.01Å; L228-L255 HydrophobicContact CB-CD1 4.44Å; L228-L255 HydrophobicContact CD1-CD1 4.5Å; L228-L255 HydrophobicContact CD1-CD2 4.1Å; I229-L255 HydrophobicContact CG2-CD1 3.87Å; P251-L255 WeakPolarHBondContact O-CB 3.42Å; P251-L255 PolarHBondContact O-N 3.14Å; E252-L255 PolarHBondContact O-N 3.14Å; L255-A257 VanDerWaalsContact C-N 3.33Å; L255-A257 PolarHBondContact O-N 2.78Å; L255-V258 VanDerWaalsContact O-CG2 3.27Å; L255-V258 WeakPolarHBondContact O-CG2 3.42Å; L255-V258 PolarHBondContact O-N 2.86Å; L255-G259 PolarHBondContact O-N 3.34Å; L255-G260 WeakPolarHBondContact O-CA 3.44Å; L255-G260 PolarHBondContact O-N 3.38Å; L255-K261 VanDerWaalsContact CD2-O 3.28Å; L255-K261 WeakPolarHBondContact CD2-O 3.43Å; L255-L262 HydrophobicContact CD2-CB 4.35Å; L255-A286 HydrophobicContact CD2-CB 3.85Å; L255-L288 HydrophobicContact CD1-CB 4.43Å; L255-L288 HydrophobicContact CD1-CD1 4.14Å
256H98.9Very high98.7Very high58 Ų5819 Ų1927%0.26911%0.11SC..Hα-helixtrans-64.7-37.4178.1-78.4-159.5000111.8L173 E252 V258 G259 G260 L262L173-H256 HydrophobicContact CD2-CB 3.56Å; E252-H256 VanDerWaalsContact CG-NE2 3.31Å; E252-H256 WeakPolarHBondContact CG-NE2 3.49Å; E252-H256 WeakPolarHBondContact O-CB 3.3Å; E252-H256 PolarHBondContact O-CD2 2.73Å; E252-H256 PolarHBondContact O-N 3.22Å; E252-H256 IonicContact OE1-CE1 3.43Å; E252-H256 PolarHBondContact OE1-CE1 3.27Å; E252-H256 IonicContact OE1-ND1 3.2Å; E252-H256 IonicContact OE1-NE2 2.76Å; E252-H256 PolarHBondContact OE1-NE2 3.34Å; H256-V258 PolarHBondContact O-N 3.07Å; H256-V258 VanDerWaalsContact O-N 3.1Å; H256-G259 PolarHBondContact O-N 2.55Å; H256-G260 PolarHBondContact CD2-O 3.25Å; H256-L262 PolarHBondContact NE2-N 3.49Å
257A98.7Very high98.6Very high22 Ų2219.9 Ų19.918%0.18212%0.122CC..Hα-helixtrans-63.1-16.417800000113.7L173 A177 A253 I254 L255L173-A257 HydrophobicContact CD2-CB 4.19Å; A177-A257 HydrophobicContact CB-CB 4.11Å; A253-A257 VanDerWaalsContact O-CB 3.25Å; A253-A257 WeakPolarHBondContact O-CB 3.3Å; A253-A257 PolarHBondContact O-N 3.18Å; I254-A257 PolarHBondContact O-N 3.35Å; L255-A257 VanDerWaalsContact C-N 3.33Å; L255-A257 PolarHBondContact O-N 2.78Å
258V98.7Very high98.6Very high24 Ų2422.2 Ų22.215%0.14513%0.134CC..THydrogen-bonded Turntrans-111.419.3172.1-62.40000113.7A177 F180 L182 I229 L255 H256 L288 R289A177-V258 HydrophobicContact CB-CG1 4Å; F180-V258 HydrophobicContact CZ-CG1 3.92Å; L182-V258 HydrophobicContact CD1-CB 4.12Å; L182-V258 HydrophobicContact CD1-CG1 4.48Å; L182-V258 HydrophobicContact CD1-CG2 4.09Å; L182-V258 HydrophobicContact CD2-CB 4.33Å; I229-V258 HydrophobicContact CG2-CG2 3.97Å; L255-V258 VanDerWaalsContact O-CG2 3.27Å; L255-V258 WeakPolarHBondContact O-CG2 3.42Å; L255-V258 PolarHBondContact O-N 2.86Å; H256-V258 PolarHBondContact O-N 3.07Å; H256-V258 VanDerWaalsContact O-N 3.1Å; V258-L288 HydrophobicContact CG2-CD1 3.77Å; V258-R289 PolarHBondContact O-NH1 2.66Å; V258-R289 VanDerWaalsContact O-NH1 3.16Å
259G98.6Very high98.5Very high54 Ų5426.1 Ų26.156%0.55716%0.159SC*.THydrogen-bonded Turntrans80.812.3173.100000115L255 H256L255-G259 PolarHBondContact O-N 3.34Å; H256-G259 PolarHBondContact O-N 2.55Å
260G98.8Very high98.5Very high6 Ų626.8 Ų26.86%0.06216%0.162CC..  trans-80.3178.6169.700000112.7L255 H256 T287 L288L255-G260 WeakPolarHBondContact O-CA 3.44Å; L255-G260 PolarHBondContact O-N 3.38Å; H256-G260 PolarHBondContact CD2-O 3.25Å; G260-T287 CarbonylContact C-O 3.6Å; G260-T287 VanDerWaalsContact CA-O 3.31Å; G260-T287 WeakPolarHBondContact CA-O 3.28Å; G260-L288 WeakPolarHBondContact CA-O 3.2Å
261K98.8Very high98.4Very high97 Ų9731.6 Ų31.642%0.42218%0.184SC..EExtended strand (participates in β ladder)trans-135.9146.1177.9-69.2-176-175.6177.40110.5L255 A286 T287 H291 D292L255-K261 VanDerWaalsContact CD2-O 3.28Å; L255-K261 WeakPolarHBondContact CD2-O 3.43Å; K261-A286 CarbonylContact O-C 3.53Å; K261-A286 VanDerWaalsContact O-CA 3.29Å; K261-A286 WeakPolarHBondContact O-CA 3.39Å; K261-T287 PolarHBondContact N-O 3.16Å; K261-T287 PolarHBondContact O-N 3.22Å; K261-H291 HydrophobicContact CB-CB 4.05Å; K261-H291 HydrophobicContact CD-CB 3.73Å; K261-H291 HydrophobicContact CG-CB 4.35Å; K261-D292 IonicContact NZ-OD1 2.77Å; K261-D292 PolarHBondContact NZ-OD1 3.15Å
262L98.8Very high98.4Very high3 Ų331.5 Ų31.52%0.01618%0.184CC..EExtended strand (participates in β ladder)trans-134.5130.6170.8-172.7153.8000107.6I225 T248 E252 L255 H256 Y270 V284 L285 A286I225-L262 HydrophobicContact CD1-CD1 4.05Å; T248-L262 HydrophobicContact CG2-CD1 4.4Å; T248-L262 HydrophobicContact CG2-CD2 4.28Å; E252-L262 HydrophobicContact CB-CB 4.31Å; E252-L262 HydrophobicContact CB-CD1 4.2Å; E252-L262 HydrophobicContact CG-CB 4.02Å; L255-L262 HydrophobicContact CD2-CB 4.35Å; H256-L262 PolarHBondContact NE2-N 3.49Å; L262-Y270 HydrophobicContact CD2-CD2 3.48Å; L262-Y270 VanDerWaalsContact CD2-CD2 3.48Å; L262-Y270 HydrophobicContact CD2-CE2 3.73Å; L262-V284 HydrophobicContact CD1-CG1 4.13Å; L262-V284 HydrophobicContact CD2-CG1 4.14Å; L262-V284 HydrophobicContact CG-CG1 4.04Å; L262-L285 CarbonylContact C-O 3.58Å; L262-L285 WeakPolarHBondContact CA-O 3.31Å; L262-A286 HydrophobicContact CB-CB 4.04Å; L262-A286 HydrophobicContact CD1-CB 3.93Å; L262-A286 HydrophobicContact CG-CB 3.87Å
263T98.6Very high98.3Very high12 Ų1234.9 Ų34.97%0.07420%0.202CC..EExtended strand (participates in β ladder)trans-143.3177.3-179.561.70000110N268 L285 H291T263-N268 CarbonylContact C-O 3.55Å; T263-N268 VanDerWaalsContact CA-O 3.3Å; T263-N268 WeakPolarHBondContact CA-O 3.3Å; T263-N268 WeakPolarHBondContact CB-O 3.36Å; T263-L285 PolarHBondContact N-O 2.85Å; T263-L285 PolarHBondContact O-N 3.28Å; T263-H291 WeakPolarHBondContact CG2-NE2 3.18Å; T263-H291 PolarHBondContact OG1-CE1 2.85Å; T263-H291 PolarHBondContact OG1-NE2 3.46Å; T263-H291 VanDerWaalsContact OG1-NE2 3.12Å
264D98.2Very high98.2Very high8 Ų836.3 Ų36.34%0.04321%0.214CC..  trans-70.2-179.5157.676.16.1000112.4F266 G267 N268 A282 G283D264-F266 PolarHBondContact O-N 2.68Å; D264-F266 VanDerWaalsContact OD1-CA 3.29Å; D264-F266 WeakPolarHBondContact OD1-CA 3.48Å; D264-F266 WeakPolarHBondContact OD1-CB 3.41Å; D264-F266 PolarHBondContact OD1-N 2.82Å; D264-G267 PolarHBondContact O-N 2.88Å; D264-G267 PolarHBondContact OD1-N 3.32Å; D264-N268 PolarHBondContact N-O 3.46Å; D264-N268 PolarHBondContact OD1-N 3.12Å; D264-N268 WeakPolarHBondContact OD2-CB 3.25Å; D264-N268 PolarHBondContact OD2-ND2 3.44Å; D264-A282 HydrophobicContact CB-CB 3.68Å; D264-G283 VanDerWaalsContact CA-O 3.28Å; D264-G283 WeakPolarHBondContact CA-O 3.24Å
265M98Very high98.1Very high1 Ų145.1 Ų45.11%0.00526%0.255CS..THydrogen-bonded Turntrans-69.3-13.5177.9-65.6-55-42.200114.3C206 V237 A239 A282 L285 V298 L303 L306C206-M265 WeakPolarHBondContact SG-CE 3.4Å; V237-M265 HydrophobicContact CG1-CE 4.27Å; V237-M265 HydrophobicContact CG1-SD 4.42Å; A239-M265 HydrophobicContact CB-CE 4.4Å; A239-M265 HydrophobicContact CB-CG 4.03Å; A239-M265 HydrophobicContact CB-SD 4.04Å; M265-A282 VanDerWaalsContact CB-O 3.29Å; M265-A282 WeakPolarHBondContact CB-O 3.47Å; M265-A282 WeakPolarHBondContact CG-O 3.47Å; M265-A282 PolarHBondContact N-O 2.92Å; M265-A282 VanDerWaalsContact N-O 3.12Å; M265-L285 HydrophobicContact CE-CB 4.4Å; M265-L285 HydrophobicContact CE-CD2 4.48Å; M265-L285 HydrophobicContact SD-CB 4.01Å; M265-V298 HydrophobicContact CB-CG1 4.35Å; M265-V298 HydrophobicContact CE-CB 4.17Å; M265-V298 HydrophobicContact CE-CG1 3.7Å; M265-V298 HydrophobicContact CE-CG2 3.31Å; M265-L303 HydrophobicContact CB-CD2 4.23Å; M265-L303 WeakPolarHBondContact O-CD2 3.4Å; M265-L306 HydrophobicContact CB-CD1 3.74Å; M265-L306 HydrophobicContact CG-CD1 3.58Å
266F97.7Very high98Very high70 Ų7047.8 Ų47.831%0.30727%0.269SS..THydrogen-bonded Turntrans-90.4-8.9175.4-60.5-95.4000112.5D264 N268 A282 L303 L306D264-F266 PolarHBondContact O-N 2.68Å; D264-F266 VanDerWaalsContact OD1-CA 3.29Å; D264-F266 WeakPolarHBondContact OD1-CA 3.48Å; D264-F266 WeakPolarHBondContact OD1-CB 3.41Å; D264-F266 PolarHBondContact OD1-N 2.82Å; F266-N268 WeakPolarHBondContact CB-ND2 3.26Å; F266-A282 HydrophobicContact CD2-CB 3.93Å; F266-A282 HydrophobicContact CE2-CB 3.84Å; F266-L303 HydrophobicContact CD1-CB 4.37Å; F266-L303 HydrophobicContact CD1-CD1 4.31Å; F266-L303 HydrophobicContact CD1-CD2 3.72Å; F266-L303 HydrophobicContact CD1-CG 4.35Å; F266-L303 HydrophobicContact CD2-CD2 4.34Å; F266-L303 HydrophobicContact CE1-CB 3.73Å; F266-L303 HydrophobicContact CE1-CD1 4.45Å; F266-L303 HydrophobicContact CE1-CD2 3.81Å; F266-L303 HydrophobicContact CE1-CG 4.19Å; F266-L303 HydrophobicContact CE2-CD2 4.41Å; F266-L303 HydrophobicContact CG-CD2 3.99Å; F266-L303 HydrophobicContact CZ-CB 4.15Å; F266-L303 HydrophobicContact CZ-CD2 4.15Å; F266-L303 WeakPolarHBondContact CZ-O 3.23Å; F266-L306 HydrophobicContact CE2-CB 4.23Å; F266-L306 HydrophobicContact CZ-CB 4.48Å
267G97.8Very high97.8Very high29 Ų2952 Ų5230%0.29929%0.286SS..SBendtrans88.210.2-173.800000113.8D264D264-G267 PolarHBondContact O-N 2.88Å; D264-G267 PolarHBondContact OD1-N 3.32Å
268N97.8Very high97.8Very high70 Ų7054.6 Ų54.637%0.37429%0.294SS..PPolyproline II helixtrans-78.9140.3176.2-54.1-52.4000110.7T263 D264 F266T263-N268 CarbonylContact C-O 3.55Å; T263-N268 VanDerWaalsContact CA-O 3.3Å; T263-N268 WeakPolarHBondContact CA-O 3.3Å; T263-N268 WeakPolarHBondContact CB-O 3.36Å; D264-N268 PolarHBondContact N-O 3.46Å; D264-N268 PolarHBondContact OD1-N 3.12Å; D264-N268 WeakPolarHBondContact OD2-CB 3.25Å; D264-N268 PolarHBondContact OD2-ND2 3.44Å; F266-N268 WeakPolarHBondContact CB-ND2 3.26Å
269P97.6Very high97.7Very high84 Ų8456.9 Ų56.955%0.54530%0.304SS..PPolyproline II helixtrans-70.1153.2173.931.3-35.2000111.3
270Y97.8Very high97.6Very high14 Ų1454.3 Ų54.36%0.05528%0.278CS..PPolyproline II helixtrans-81.1151.5171-78.5-66000112.4L262 Y272 N280 G283 V284L262-Y270 HydrophobicContact CD2-CD2 3.48Å; L262-Y270 VanDerWaalsContact CD2-CD2 3.48Å; L262-Y270 HydrophobicContact CD2-CE2 3.73Å; Y270-Y272 WeakPolarHBondContact CB-OH 3.47Å; Y270-N280 HydrophobicContact CE1-CB 3.67Å; Y270-N280 VanDerWaalsContact CE1-OD1 3.31Å; Y270-N280 WeakPolarHBondContact CE1-OD1 3.42Å; Y270-N280 WeakPolarHBondContact OH-CB 3.32Å; Y270-G283 PolarHBondContact OH-O 2.9Å; Y270-V284 HydrophobicContact CE2-CG2 4.37Å
271H97.8Very high97.4Very high101 Ų10155.1 Ų55.147%0.46828%0.282SS..  trans-113.9141.3173.2-68.1-66.9000111.2G143 K245 I276G143-H271 CarbonylContact O-C 3.59Å; G143-H271 VanDerWaalsContact O-CA 3.29Å; G143-H271 WeakPolarHBondContact O-CA 3.25Å; K245-H271 VanDerWaalsContact CD-O 3.31Å; K245-H271 WeakPolarHBondContact CD-O 3.5Å; K245-H271 WeakPolarHBondContact CE-O 3.35Å; H271-I276 HydrophobicContact CB-CD1 4.33Å; H271-I276 HydrophobicContact CB-CG1 4.44Å
272Y98.6Very high97.3Very high0 Ų050.5 Ų50.50%026%0.263CS..  trans-125.723.2-169.5-65.1-74.9000114W115 A140 G143 A145 K245 T248 C249 E252 Y270W115-Y272 PolarHBondContact NE1-O 3.23Å; A140-Y272 VanDerWaalsContact CB-CB 3.45Å; A140-Y272 HydrophobicContact CB-CG 4.39Å; G143-Y272 PolarHBondContact O-N 3.49Å; A145-Y272 HydrophobicContact CB-CD2 4.04Å; A145-Y272 HydrophobicContact CB-CE2 3.98Å; K245-Y272 HydrophobicContact CB-CD1 3.94Å; K245-Y272 HydrophobicContact CB-CE1 3.97Å; K245-Y272 HydrophobicContact CD-CD1 3.91Å; K245-Y272 HydrophobicContact CD-CE1 3.74Å; K245-Y272 HydrophobicContact CG-CD1 4.31Å; K245-Y272 HydrophobicContact CG-CE1 4.39Å; K245-Y272 WeakPolarHBondContact O-CE1 3.29Å; T248-Y272 VanDerWaalsContact CB-OH 3.24Å; T248-Y272 WeakPolarHBondContact CB-OH 3.39Å; T248-Y272 PolarHBondContact OG1-OH 3.22Å; C249-Y272 HydrophobicContact CB-CD1 3.59Å; C249-Y272 HydrophobicContact CB-CE1 3.45Å; C249-Y272 VanDerWaalsContact CB-CE1 3.45Å; C249-Y272 HydrophobicContact CB-CG 4.32Å; E252-Y272 WeakPolarHBondContact OE2-CE2 3.42Å; E252-Y272 PolarHBondContact OE2-OH 3.35Å; Y270-Y272 WeakPolarHBondContact CB-OH 3.47Å
273N97.3Very high97.3Very high80 Ų8050.4 Ų50.443%0.42826%0.262SS..  trans-63152.7172.8-59.862.4000110.9G143 E275 I276G143-N273 WeakPolarHBondContact CA-OD1 3.42Å; N273-E275 VanDerWaalsContact C-N 3.29Å; N273-E275 PolarHBondContact O-N 2.92Å; N273-I276 WeakPolarHBondContact O-CB 3.4Å; N273-I276 WeakPolarHBondContact O-CG2 3.26Å; N273-I276 PolarHBondContact O-N 2.6Å; N273-I276 VanDerWaalsContact O-N 3.1Å
274A96.9Very high97.3Very high29 Ų2949.9 Ų49.924%0.2426%0.259CS..THydrogen-bonded Turntrans-56.4-39.5-177.100000114T70 I72 V113 I276T70-A274 HydrophobicContact CG2-CB 3.98Å; I72-A274 HydrophobicContact CD1-CB 4.26Å; V113-A274 HydrophobicContact CG2-CB 4.19Å; A274-I276 VanDerWaalsContact C-N 3.3Å; A274-I276 PolarHBondContact O-N 3.02Å
275E96.2Very high97.3Very high185 Ų18549.5 Ų49.586%0.86426%0.257SS*.THydrogen-bonded Turntrans-85.73.2-176.7-53.8-55.1134.300113.9N273N273-E275 VanDerWaalsContact C-N 3.29Å; N273-E275 PolarHBondContact O-N 2.92Å
276I96.3Very high97.3Very high56 Ų5649.4 Ų49.429%0.28726%0.257SS..SBendtrans-69.4148.2-178-158.964000110.2W115 K245 H271 N273 A274 H278W115-I276 HydrophobicContact CH2-CG2 4Å; W115-I276 HydrophobicContact CZ2-CG2 3.75Å; K245-I276 HydrophobicContact CD-CG2 4.33Å; K245-I276 HydrophobicContact CG-CG2 3.88Å; H271-I276 HydrophobicContact CB-CD1 4.33Å; H271-I276 HydrophobicContact CB-CG1 4.44Å; N273-I276 WeakPolarHBondContact O-CB 3.4Å; N273-I276 WeakPolarHBondContact O-CG2 3.26Å; N273-I276 PolarHBondContact O-N 2.6Å; N273-I276 VanDerWaalsContact O-N 3.1Å; A274-I276 VanDerWaalsContact C-N 3.3Å; A274-I276 PolarHBondContact O-N 3.02Å; I276-H278 PolarHBondContact O-CD2 3.37Å; I276-H278 PolarHBondContact O-N 3.14Å
277K95.8Very high97.4Very high146 Ų14646.1 Ų46.164%0.63524%0.242SC*.  trans-58.4130.4169.1-68.8177.4-175.9166.80109.9K245 M279K245-K277 PolarHBondContact NZ-O 3.07Å; K277-M279 VanDerWaalsContact C-N 3.33Å; K277-M279 PolarHBondContact O-N 3.21Å
278H97.1Very high97.4Very high77 Ų7745.1 Ų45.136%0.35623%0.23SC..SBendtrans-66-37.4-176.9-58.6175.8000111.9W115 K244 K245 W246 I276W115-H278 AromaticContact CH2-CD2 3.62Å; W115-H278 AromaticContact CZ3-CD2 3.8Å; K244-H278 CarbonylContact C-O 3.54Å; K244-H278 WeakPolarHBondContact CA-O 3.39Å; K244-H278 HydrophobicContact CB-CB 4.44Å; K244-H278 WeakPolarHBondContact CB-O 3.29Å; K244-H278 HydrophobicContact CD-CB 4.31Å; K244-H278 HydrophobicContact CG-CB 4.46Å; K245-H278 WeakPolarHBondContact CG-O 3.13Å; K245-H278 PolarHBondContact N-O 3.45Å; W246-H278 HydrophobicContact CH2-CB 4.05Å; W246-H278 AromaticContact CH2-ND1 3.49Å; W246-H278 WeakPolarHBondContact CH2-ND1 3.31Å; W246-H278 HydrophobicContact CZ3-CB 3.93Å; W246-H278 AromaticContact CZ3-CE1 3.94Å; W246-H278 AromaticContact CZ3-CG 3.68Å; W246-H278 AromaticContact CZ3-ND1 3.3Å; W246-H278 VanDerWaalsContact CZ3-ND1 3.3Å; W246-H278 WeakPolarHBondContact CZ3-ND1 3.28Å; I276-H278 PolarHBondContact O-CD2 3.37Å; I276-H278 PolarHBondContact O-N 3.14Å
279M97.1Very high97.5Very high72 Ų7245.8 Ų45.836%0.35523%0.227SC..BIsolated β-bridgetrans-61.7137.6-179.9-170.363.770.800112P241 G242 K244 K245 K277P241-M279 HydrophobicContact CB-SD 4.28Å; G242-M279 PolarHBondContact N-SD 2.83Å; G242-M279 VanDerWaalsContact N-SD 3.42Å; K244-M279 HydrophobicContact CG-SD 4.44Å; K245-M279 PolarHBondContact NZ-O 2.7Å; K277-M279 VanDerWaalsContact C-N 3.33Å; K277-M279 PolarHBondContact O-N 3.21Å
280N96.8Very high97.4Very high1 Ų147.2 Ų47.21%0.00523%0.23CC..  trans-94.588.2163.6-70.1-9.8000107.7C243 K244 K245 T248 Y270 A282C243-N280 VanDerWaalsContact O-CB 3.29Å; C243-N280 WeakPolarHBondContact O-CB 3.43Å; C243-N280 PolarHBondContact O-N 3.25Å; K244-N280 PolarHBondContact O-ND2 3.04Å; K245-N280 WeakPolarHBondContact CD-OD1 3.35Å; K245-N280 WeakPolarHBondContact CE-OD1 3.32Å; K245-N280 PolarHBondContact NZ-OD1 3.42Å; T248-N280 WeakPolarHBondContact CG2-ND2 3.36Å; T248-N280 PolarHBondContact OG1-ND2 2.69Å; T248-N280 VanDerWaalsContact OG1-ND2 3.1Å; Y270-N280 HydrophobicContact CE1-CB 3.67Å; Y270-N280 VanDerWaalsContact CE1-OD1 3.31Å; Y270-N280 WeakPolarHBondContact CE1-OD1 3.42Å; Y270-N280 WeakPolarHBondContact OH-CB 3.32Å; N280-A282 VanDerWaalsContact C-N 3.33Å; N280-A282 PolarHBondContact O-N 3.49Å
281S95.8Very high97.4Very high22 Ų2247.2 Ų47.215%0.15423%0.231CC..THydrogen-bonded Turntrans-76.9-22-165.969.40000113.9K307 D309S281-K307 CarbonylContact C-O 3.47Å; S281-K307 PolarHBondContact OG-O 2.91Å; S281-D309 WeakPolarHBondContact CB-OD1 3.48Å; S281-D309 PolarHBondContact N-OD2 2.9Å; S281-D309 PolarHBondContact OG-OD1 3.22Å; S281-D309 PolarHBondContact OG-OD2 2.59Å
282A96.8Very high97.5Very high1 Ų147.5 Ų47.51%0.00824%0.236CC..THydrogen-bonded Turntrans-95.315.8-178.400000114.5D264 M265 F266 N280 K307D264-A282 HydrophobicContact CB-CB 3.68Å; M265-A282 VanDerWaalsContact CB-O 3.29Å; M265-A282 WeakPolarHBondContact CB-O 3.47Å; M265-A282 WeakPolarHBondContact CG-O 3.47Å; M265-A282 PolarHBondContact N-O 2.92Å; M265-A282 VanDerWaalsContact N-O 3.12Å; F266-A282 HydrophobicContact CD2-CB 3.93Å; F266-A282 HydrophobicContact CE2-CB 3.84Å; N280-A282 VanDerWaalsContact C-N 3.33Å; N280-A282 PolarHBondContact O-N 3.49Å; A282-K307 WeakPolarHBondContact CB-O 3.44Å; A282-K307 PolarHBondContact N-O 2.94Å
283G97.3Very high97.4Very high0 Ų050.8 Ų50.80%025%0.249CC..  trans71.3175.5177.600000114.3F238 S240 D264 Y270F238-G283 CarbonylContact O-C 3.56Å; F238-G283 WeakPolarHBondContact O-CA 3.42Å; S240-G283 VanDerWaalsContact O-CA 3.28Å; S240-G283 WeakPolarHBondContact O-CA 3.49Å; D264-G283 VanDerWaalsContact CA-O 3.28Å; D264-G283 WeakPolarHBondContact CA-O 3.24Å; Y270-G283 PolarHBondContact OH-O 2.9Å
284V98.6Very high97.4Very high1 Ų147.3 Ų47.31%0.00623%0.229CC..EExtended strand (participates in β ladder)trans-121.2130.2-174.7179.90000110.5Y236 F238 C243 T248 L262 Y270Y236-V284 HydrophobicContact CD1-CG1 4.06Å; Y236-V284 HydrophobicContact CE1-CB 4.18Å; Y236-V284 HydrophobicContact CE1-CG1 3.65Å; F238-V284 HydrophobicContact CB-CB 4.48Å; F238-V284 PolarHBondContact N-O 2.64Å; F238-V284 PolarHBondContact O-N 2.97Å; C243-V284 HydrophobicContact CB-CG2 4.35Å; T248-V284 HydrophobicContact CG2-CG1 4.42Å; T248-V284 HydrophobicContact CG2-CG2 3.95Å; L262-V284 HydrophobicContact CD1-CG1 4.13Å; L262-V284 HydrophobicContact CD2-CG1 4.14Å; L262-V284 HydrophobicContact CG-CG1 4.04Å; Y270-V284 HydrophobicContact CE2-CG2 4.37Å
285L98.8Very high97.5Very high0 Ų047.8 Ų47.80%023%0.23CC..EExtended strand (participates in β ladder)trans-123.7118.8169.3178.759.5000109.2Y236 V237 L262 T263 M265 V295 V298Y236-L285 WeakPolarHBondContact O-CA 3.33Å; V237-L285 HydrophobicContact CG2-CD1 3.75Å; L262-L285 CarbonylContact C-O 3.58Å; L262-L285 WeakPolarHBondContact CA-O 3.31Å; T263-L285 PolarHBondContact N-O 2.85Å; T263-L285 PolarHBondContact O-N 3.28Å; M265-L285 HydrophobicContact CE-CB 4.4Å; M265-L285 HydrophobicContact CE-CD2 4.48Å; M265-L285 HydrophobicContact SD-CB 4.01Å; L285-V295 HydrophobicContact CD2-CB 4.3Å; L285-V295 HydrophobicContact CD2-CG2 3.55Å; L285-V298 HydrophobicContact CD2-CG2 4.41Å
286A98.9Very high97.6Very high0 Ų043.3 Ų43.30%022%0.218CC..EExtended strand (participates in β ladder)trans-133.6142178.800000112I225 L228 A235 Y236 L255 K261 L262I225-A286 HydrophobicContact CD1-CB 3.58Å; L228-A286 HydrophobicContact CD1-CB 3.78Å; L228-A286 WeakPolarHBondContact CD1-O 3.27Å; A235-A286 CarbonylContact C-O 3.53Å; A235-A286 WeakPolarHBondContact CA-O 3.05Å; Y236-A286 HydrophobicContact CD1-CB 4.18Å; Y236-A286 PolarHBondContact N-O 3.49Å; Y236-A286 PolarHBondContact O-N 3.42Å; L255-A286 HydrophobicContact CD2-CB 3.85Å; K261-A286 CarbonylContact O-C 3.53Å; K261-A286 VanDerWaalsContact O-CA 3.29Å; K261-A286 WeakPolarHBondContact O-CA 3.39Å; L262-A286 HydrophobicContact CB-CB 4.04Å; L262-A286 HydrophobicContact CD1-CB 3.93Å; L262-A286 HydrophobicContact CG-CB 3.87Å
287T98.8Very high97.7Very high1 Ų144.3 Ų44.31%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-150.7140.9-176.862.20000110.4A235 G260 K261 R289 H291 Y294A235-T287 HydrophobicContact CB-CG2 3.85Å; G260-T287 CarbonylContact C-O 3.6Å; G260-T287 VanDerWaalsContact CA-O 3.31Å; G260-T287 WeakPolarHBondContact CA-O 3.28Å; K261-T287 PolarHBondContact N-O 3.16Å; K261-T287 PolarHBondContact O-N 3.22Å; T287-R289 WeakPolarHBondContact CB-O 3.46Å; T287-H291 VanDerWaalsContact OG1-CA 3.24Å; T287-H291 WeakPolarHBondContact OG1-CA 3.27Å; T287-H291 WeakPolarHBondContact OG1-CB 3.45Å; T287-H291 PolarHBondContact OG1-ND1 2.76Å; T287-Y294 HydrophobicContact CG2-CD2 3.43Å; T287-Y294 VanDerWaalsContact CG2-CD2 3.43Å; T287-Y294 HydrophobicContact CG2-CE2 3.94Å; T287-Y294 HydrophobicContact CG2-CG 3.98Å
288L98.7Very high97.8Very high8 Ų838 Ų384%0.04219%0.192CC..SBendtrans-72.7-36.8168.9-177.461.1000111.7L182 E184 L255 V258 G260L182-L288 HydrophobicContact CD1-CD1 4.19Å; L182-L288 HydrophobicContact CD1-CD2 3.92Å; E184-L288 HydrophobicContact CG-CD2 3.92Å; L255-L288 HydrophobicContact CD1-CB 4.43Å; L255-L288 HydrophobicContact CD1-CD1 4.14Å; V258-L288 HydrophobicContact CG2-CD1 3.77Å; G260-L288 WeakPolarHBondContact CA-O 3.2Å
289R98.1Very high97.8Very high83 Ų8335.9 Ų35.931%0.31319%0.185SC..SBendtrans-140.5164.9179.6-59.3-62.4176-108.6-2.2110.8E184 V258 T287 H291E184-R289 IonicContact OE1-CZ 2.76Å; E184-R289 IonicContact OE1-NE 3.87Å; E184-R289 PolarHBondContact OE1-NE 3.35Å; E184-R289 IonicContact OE1-NH2 3.17Å; E184-R289 PolarHBondContact OE1-NH2 2.99Å; E184-R289 IonicContact OE2-NE 2.78Å; V258-R289 PolarHBondContact O-NH1 2.66Å; V258-R289 VanDerWaalsContact O-NH1 3.16Å; T287-R289 WeakPolarHBondContact CB-O 3.46Å; R289-H291 VanDerWaalsContact C-N 3.27Å; R289-H291 PolarHBondContact O-N 3.02Å
290N96.7Very high97.8Very high115 Ų11538.5 Ų38.562%0.61520%0.197SC*.  trans59.430.4173.1-56-36.3000114.9D292 Y293 Y294N290-D292 VanDerWaalsContact C-N 3.32Å; N290-D292 PolarHBondContact O-N 2.93Å; N290-Y293 WeakPolarHBondContact O-CB 3.21Å; N290-Y293 PolarHBondContact O-N 3.34Å; N290-Y294 HydrophobicContact CB-CE2 4.09Å; N290-Y294 WeakPolarHBondContact O-CD2 3.27Å; N290-Y294 PolarHBondContact O-N 2.86Å
291H98.3Very high97.8Very high13 Ų1341.9 Ų41.96%0.0622%0.221CC..Hα-helixtrans-52.6-47.3-176.2-166.370000113.6K261 T263 T287 R289 Y293 Y294 V295K261-H291 HydrophobicContact CB-CB 4.05Å; K261-H291 HydrophobicContact CD-CB 3.73Å; K261-H291 HydrophobicContact CG-CB 4.35Å; T263-H291 WeakPolarHBondContact CG2-NE2 3.18Å; T263-H291 PolarHBondContact OG1-CE1 2.85Å; T263-H291 PolarHBondContact OG1-NE2 3.46Å; T263-H291 VanDerWaalsContact OG1-NE2 3.12Å; T287-H291 VanDerWaalsContact OG1-CA 3.24Å; T287-H291 WeakPolarHBondContact OG1-CA 3.27Å; T287-H291 WeakPolarHBondContact OG1-CB 3.45Å; T287-H291 PolarHBondContact OG1-ND1 2.76Å; R289-H291 VanDerWaalsContact C-N 3.27Å; R289-H291 PolarHBondContact O-N 3.02Å; H291-Y293 PolarHBondContact O-N 2.93Å; H291-Y294 PolarHBondContact O-N 2.97Å; H291-V295 WeakPolarHBondContact O-CG2 3.42Å; H291-V295 PolarHBondContact O-N 3.38Å
292D98.1Very high97.8Very high107 Ų10740.9 Ų40.957%0.57221%0.214SC*.Hα-helixtrans-62.3-30.5-177-54.7-4.7000111.7K261 N290 S296K261-D292 IonicContact NZ-OD1 2.77Å; K261-D292 PolarHBondContact NZ-OD1 3.15Å; N290-D292 VanDerWaalsContact C-N 3.32Å; N290-D292 PolarHBondContact O-N 2.93Å; D292-S296 WeakPolarHBondContact O-CB 3.33Å; D292-S296 PolarHBondContact O-N 3.01Å; D292-S296 PolarHBondContact O-OG 3.24Å
293Y97.3Very high97.8Very high70 Ų7042.2 Ų42.228%0.27522%0.22SC..Hα-helixtrans-61.6-54.6170.4165.5-91.5000110.1R190 M210 N290 H291 V295 S296 R297R190-Y293 PolarHBondContact NH1-OH 3.31Å; M210-Y293 PolarHBondContact O-OH 3.15Å; N290-Y293 WeakPolarHBondContact O-CB 3.21Å; N290-Y293 PolarHBondContact O-N 3.34Å; H291-Y293 PolarHBondContact O-N 2.93Å; Y293-V295 VanDerWaalsContact C-N 3.32Å; Y293-V295 PolarHBondContact O-N 3.16Å; Y293-S296 PolarHBondContact O-N 3.37Å; Y293-S296 VanDerWaalsContact O-N 3.09Å; Y293-S296 PolarHBondContact O-OG 2.83Å; Y293-R297 HydrophobicContact CD1-CG 4.43Å; Y293-R297 HydrophobicContact CD2-CG 4.38Å; Y293-R297 HydrophobicContact CE1-CG 3.92Å; Y293-R297 HydrophobicContact CE2-CG 3.89Å; Y293-R297 WeakPolarHBondContact O-CG 3.44Å; Y293-R297 PolarHBondContact O-N 3.11Å; Y293-R297 VanDerWaalsContact O-N 3.16Å
294Y98.3Very high97.6Very high6 Ų649.3 Ų49.32%0.02425%0.253CS..Hα-helixtrans-64.6-36.4-177.4-62.4-84.8000112.5M210 S234 A235 T287 N290 H291 R297 V298M210-Y294 HydrophobicContact CB-CD1 4.35Å; M210-Y294 HydrophobicContact CG-CD1 4.34Å; M210-Y294 HydrophobicContact SD-CD1 3.84Å; M210-Y294 HydrophobicContact SD-CG 4.47Å; S234-Y294 WeakPolarHBondContact CB-OH 3.46Å; S234-Y294 PolarHBondContact OG-OH 3.43Å; A235-Y294 HydrophobicContact CB-CD1 3.59Å; A235-Y294 HydrophobicContact CB-CD2 4.21Å; A235-Y294 HydrophobicContact CB-CE1 3.47Å; A235-Y294 VanDerWaalsContact CB-CE1 3.47Å; A235-Y294 HydrophobicContact CB-CE2 4.1Å; A235-Y294 HydrophobicContact CB-CG 3.96Å; T287-Y294 HydrophobicContact CG2-CD2 3.43Å; T287-Y294 VanDerWaalsContact CG2-CD2 3.43Å; T287-Y294 HydrophobicContact CG2-CE2 3.94Å; T287-Y294 HydrophobicContact CG2-CG 3.98Å; N290-Y294 HydrophobicContact CB-CE2 4.09Å; N290-Y294 WeakPolarHBondContact O-CD2 3.27Å; N290-Y294 PolarHBondContact O-N 2.86Å; H291-Y294 PolarHBondContact O-N 2.97Å; Y294-R297 PolarHBondContact O-N 3.37Å; Y294-V298 WeakPolarHBondContact O-CG2 3.21Å
295V98.4Very high97.4Very high40 Ų4052.3 Ų52.324%0.24228%0.278CS..Hα-helixtrans-59.8-45.8171.91750000110.5L285 H291 Y293 R297 V298L285-V295 HydrophobicContact CD2-CB 4.3Å; L285-V295 HydrophobicContact CD2-CG2 3.55Å; H291-V295 WeakPolarHBondContact O-CG2 3.42Å; H291-V295 PolarHBondContact O-N 3.38Å; Y293-V295 VanDerWaalsContact C-N 3.32Å; Y293-V295 PolarHBondContact O-N 3.16Å; V295-R297 PolarHBondContact O-N 3.08Å; V295-R297 VanDerWaalsContact O-N 3.15Å; V295-V298 WeakPolarHBondContact O-CB 3.27Å; V295-V298 WeakPolarHBondContact O-CG2 3.48Å; V295-V298 PolarHBondContact O-N 3.43Å; V295-V298 VanDerWaalsContact O-N 3.16Å
296S98.1Very high97.1Very high90 Ų9053 Ų5363%0.62928%0.281SS*.Hα-helixtrans-65.1-18.617977.60000114.2D292 Y293D292-S296 WeakPolarHBondContact O-CB 3.33Å; D292-S296 PolarHBondContact O-N 3.01Å; D292-S296 PolarHBondContact O-OG 3.24Å; Y293-S296 PolarHBondContact O-N 3.37Å; Y293-S296 VanDerWaalsContact O-N 3.09Å; Y293-S296 PolarHBondContact O-OG 2.83Å
297R98.2Very high96.3Very high77 Ų7761.1 Ų61.129%0.29132%0.317SS..THydrogen-bonded Turntrans-88.8-7.6179.1-66.7-55.5-57.8-152.1-3.5113.5A209 M210 E211 Y293 Y294 V295 P299A209-R297 WeakPolarHBondContact CB-O 3.36Å; A209-R297 VanDerWaalsContact O-CZ 3.27Å; A209-R297 PolarHBondContact O-NE 3.32Å; A209-R297 PolarHBondContact O-NH2 3.05Å; M210-R297 HydrophobicContact CE-CB 4.09Å; M210-R297 HydrophobicContact SD-CB 3.67Å; E211-R297 VanDerWaalsContact CG-NH2 3.32Å; E211-R297 IonicContact OE1-CZ 2.65Å; E211-R297 IonicContact OE1-NH1 3.37Å; E211-R297 PolarHBondContact OE1-NH1 2.89Å; E211-R297 IonicContact OE1-NH2 3.18Å; E211-R297 PolarHBondContact OE1-NH2 3.23Å; Y293-R297 HydrophobicContact CD1-CG 4.43Å; Y293-R297 HydrophobicContact CD2-CG 4.38Å; Y293-R297 HydrophobicContact CE1-CG 3.92Å; Y293-R297 HydrophobicContact CE2-CG 3.89Å; Y293-R297 WeakPolarHBondContact O-CG 3.44Å; Y293-R297 PolarHBondContact O-N 3.11Å; Y293-R297 VanDerWaalsContact O-N 3.16Å; Y294-R297 PolarHBondContact O-N 3.37Å; V295-R297 PolarHBondContact O-N 3.08Å; V295-R297 VanDerWaalsContact O-N 3.15Å; R297-P299 VanDerWaalsContact O-CD 3.26Å; R297-P299 WeakPolarHBondContact O-CD 3.49Å
298V98.3Very high95Very high14 Ų1464.2 Ų64.29%0.08534%0.339CS..SBendtrans-68.1119.1179.2-173.70000109.4M210 M265 L285 Y294 V295 V302 L303M210-V298 HydrophobicContact CE-CG2 3.97Å; M265-V298 HydrophobicContact CB-CG1 4.35Å; M265-V298 HydrophobicContact CE-CB 4.17Å; M265-V298 HydrophobicContact CE-CG1 3.7Å; M265-V298 HydrophobicContact CE-CG2 3.31Å; L285-V298 HydrophobicContact CD2-CG2 4.41Å; Y294-V298 WeakPolarHBondContact O-CG2 3.21Å; V295-V298 WeakPolarHBondContact O-CB 3.27Å; V295-V298 WeakPolarHBondContact O-CG2 3.48Å; V295-V298 PolarHBondContact O-N 3.43Å; V295-V298 VanDerWaalsContact O-N 3.16Å; V298-V302 HydrophobicContact CG1-CB 4.27Å; V298-V302 HydrophobicContact CG1-CG1 3.99Å; V298-L303 HydrophobicContact CB-CD2 4.37Å; V298-L303 HydrophobicContact CG1-CD2 3.52Å; V298-L303 HydrophobicContact CG1-CG 3.88Å
299P97.8Very high93.3Very high32 Ų3269.3 Ų69.321%0.20837%0.366CS..  trans-65.2144.3-178.3-22.834.2000112.5A209 R297 S301 V302 L303A209-P299 HydrophobicContact CB-CG 3.42Å; A209-P299 VanDerWaalsContact CB-CG 3.42Å; R297-P299 VanDerWaalsContact O-CD 3.26Å; R297-P299 WeakPolarHBondContact O-CD 3.49Å; P299-S301 PolarHBondContact O-N 3.29Å; P299-S301 VanDerWaalsContact O-N 3.16Å; P299-V302 HydrophobicContact CB-CB 4.39Å; P299-V302 HydrophobicContact CB-CG2 4.1Å; P299-V302 HydrophobicContact CG-CG2 4.01Å; P299-V302 WeakPolarHBondContact O-CA 3.38Å; P299-V302 WeakPolarHBondContact O-CB 3.41Å; P299-V302 PolarHBondContact O-N 3.13Å; P299-L303 PolarHBondContact O-N 3.44Å; P299-L303 VanDerWaalsContact O-N 3.11Å
300Q96.7Very high93Very high128 Ų12868.7 Ų68.760%0.59837%0.369SS*.Hα-helixtrans-58-33.2175.6-165.464.113.300112.8V302 L303 Q304Q300-V302 VanDerWaalsContact C-N 3.3Å; Q300-V302 PolarHBondContact O-N 2.95Å; Q300-L303 PolarHBondContact O-N 3.41Å; Q300-Q304 WeakPolarHBondContact O-CB 3.36Å; Q300-Q304 VanDerWaalsContact O-CG 3.27Å; Q300-Q304 WeakPolarHBondContact O-CG 3.26Å; Q300-Q304 PolarHBondContact O-N 3.02Å
301S96.1Very high92.9Very high72 Ų7266.2 Ų66.250%0.50336%0.356SS..Hα-helixtrans-65.3-32.7175.455.80000113P299 A305P299-S301 PolarHBondContact O-N 3.29Å; P299-S301 VanDerWaalsContact O-N 3.16Å; S301-A305 WeakPolarHBondContact O-CB 3.5Å; S301-A305 PolarHBondContact O-N 2.99Å
302V96.3Very high92.6Very high1 Ų169.2 Ų69.21%0.00637%0.372CS..Hα-helixtrans-70.4-46.7174.4167.80000109.6T202 D205 C206 A239 V298 P299 Q300 Q304 A305 L306T202-V302 HydrophobicContact CG2-CB 4.28Å; T202-V302 HydrophobicContact CG2-CG1 3.85Å; T202-V302 HydrophobicContact CG2-CG2 4.13Å; D205-V302 HydrophobicContact CB-CG2 4.46Å; C206-V302 HydrophobicContact CB-CG1 4.1Å; C206-V302 HydrophobicContact CB-CG2 3.91Å; A239-V302 HydrophobicContact CB-CG1 3.62Å; V298-V302 HydrophobicContact CG1-CB 4.27Å; V298-V302 HydrophobicContact CG1-CG1 3.99Å; P299-V302 HydrophobicContact CB-CB 4.39Å; P299-V302 HydrophobicContact CB-CG2 4.1Å; P299-V302 HydrophobicContact CG-CG2 4.01Å; P299-V302 WeakPolarHBondContact O-CA 3.38Å; P299-V302 WeakPolarHBondContact O-CB 3.41Å; P299-V302 PolarHBondContact O-N 3.13Å; Q300-V302 VanDerWaalsContact C-N 3.3Å; Q300-V302 PolarHBondContact O-N 2.95Å; V302-Q304 VanDerWaalsContact C-N 3.3Å; V302-Q304 PolarHBondContact O-N 2.91Å; V302-A305 PolarHBondContact O-N 2.59Å; V302-A305 VanDerWaalsContact O-N 3.08Å; V302-L306 HydrophobicContact CG1-CD1 3.94Å; V302-L306 WeakPolarHBondContact O-CG 3.38Å; V302-L306 PolarHBondContact O-N 2.96Å; V302-L306 VanDerWaalsContact O-N 3.15Å
303L95.8Very high92.2Very high28 Ų2866.9 Ų66.915%0.14736%0.36CS..Hα-helixtrans-59.1-40.9177-63.2-177.6000112M265 F266 V298 P299 Q300 A305 L306M265-L303 HydrophobicContact CB-CD2 4.23Å; M265-L303 WeakPolarHBondContact O-CD2 3.4Å; F266-L303 HydrophobicContact CD1-CB 4.37Å; F266-L303 HydrophobicContact CD1-CD1 4.31Å; F266-L303 HydrophobicContact CD1-CD2 3.72Å; F266-L303 HydrophobicContact CD1-CG 4.35Å; F266-L303 HydrophobicContact CD2-CD2 4.34Å; F266-L303 HydrophobicContact CE1-CB 3.73Å; F266-L303 HydrophobicContact CE1-CD1 4.45Å; F266-L303 HydrophobicContact CE1-CD2 3.81Å; F266-L303 HydrophobicContact CE1-CG 4.19Å; F266-L303 HydrophobicContact CE2-CD2 4.41Å; F266-L303 HydrophobicContact CG-CD2 3.99Å; F266-L303 HydrophobicContact CZ-CB 4.15Å; F266-L303 HydrophobicContact CZ-CD2 4.15Å; F266-L303 WeakPolarHBondContact CZ-O 3.23Å; V298-L303 HydrophobicContact CB-CD2 4.37Å; V298-L303 HydrophobicContact CG1-CD2 3.52Å; V298-L303 HydrophobicContact CG1-CG 3.88Å; P299-L303 PolarHBondContact O-N 3.44Å; P299-L303 VanDerWaalsContact O-N 3.11Å; Q300-L303 PolarHBondContact O-N 3.41Å; L303-A305 VanDerWaalsContact C-N 3.3Å; L303-A305 PolarHBondContact O-N 3.34Å; L303-L306 PolarHBondContact O-N 3.05Å
304Q94.4Very high91.9Very high150 Ų15066.8 Ų66.870%0.70137%0.366SS*.Hα-helixtrans-67.6-27.9176.5-73.8171.6-9.800113.7Q300 V302 L306Q300-Q304 WeakPolarHBondContact O-CB 3.36Å; Q300-Q304 VanDerWaalsContact O-CG 3.27Å; Q300-Q304 WeakPolarHBondContact O-CG 3.26Å; Q300-Q304 PolarHBondContact O-N 3.02Å; V302-Q304 VanDerWaalsContact C-N 3.3Å; V302-Q304 PolarHBondContact O-N 2.91Å; Q304-L306 VanDerWaalsContact C-N 3.35Å
305A93.9Very high91.5Very high63 Ų6370.8 Ų70.852%0.52139%0.389SS..Hα-helixtrans-79.6-21.1177.600000112.6T202 S301 V302 L303T202-A305 HydrophobicContact CG2-CB 4.24Å; S301-A305 WeakPolarHBondContact O-CB 3.5Å; S301-A305 PolarHBondContact O-N 2.99Å; V302-A305 PolarHBondContact O-N 2.59Å; V302-A305 VanDerWaalsContact O-N 3.08Å; L303-A305 VanDerWaalsContact C-N 3.3Å; L303-A305 PolarHBondContact O-N 3.34Å
306L92.8Very high91Very high14 Ų1473 Ų737%0.07340%0.399CS..SBendtrans-95.2149.5177.4-64.4171.2000110.2A239 M265 F266 V302 L303 Q304A239-L306 HydrophobicContact CB-CD1 4.23Å; M265-L306 HydrophobicContact CB-CD1 3.74Å; M265-L306 HydrophobicContact CG-CD1 3.58Å; F266-L306 HydrophobicContact CE2-CB 4.23Å; F266-L306 HydrophobicContact CZ-CB 4.48Å; V302-L306 HydrophobicContact CG1-CD1 3.94Å; V302-L306 WeakPolarHBondContact O-CG 3.38Å; V302-L306 PolarHBondContact O-N 2.96Å; V302-L306 VanDerWaalsContact O-N 3.15Å; L303-L306 PolarHBondContact O-N 3.05Å; Q304-L306 VanDerWaalsContact C-N 3.35Å
307K81.3Confident90.4Very high171 Ų17171.7 Ų71.774%0.74338%0.381SS*.PPolyproline II helixtrans-103.1125.6171.9-66.5178.9-179.2178.30106.7S281 A282S281-K307 CarbonylContact C-O 3.47Å; S281-K307 PolarHBondContact OG-O 2.91Å; A282-K307 WeakPolarHBondContact CB-O 3.44Å; A282-K307 PolarHBondContact N-O 2.94Å
308S72.2Confident89.8Confident66 Ų6671.3 Ų71.346%0.46239%0.389SS..PPolyproline II helixtrans-67139.6164.7-175.20000108.5
309D62.1Low89Confident116 Ų11676.5 Ų76.562%0.6242%0.417SS*.  trans-68.90169.6-74.6-41.8000111.8S281S281-D309 WeakPolarHBondContact CB-OD1 3.48Å; S281-D309 PolarHBondContact N-OD2 2.9Å; S281-D309 PolarHBondContact OG-OD1 3.22Å; S281-D309 PolarHBondContact OG-OD2 2.59Å

Retrieved 309 of 309 residues in 812.1 ms (Link to these results)

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