Q9AS70_ORYSJ Loading...

Os01g0168800 protein

AlphaFold DB , UniProt , Accession Q9AS70, Species ORYSJ (Oryza sativa subsp. japonica, Rice), Gene P0028E10.22, Length 336 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
1M49.2Very low83.1Confident195 Ų19573.9 Ų73.996%0.96141%0.409SS*.  0118.80-62.8-178.1-168.400108.4F3M1-F3 HydrophobicContact CB-CD2 3.7Å; M1-F3 HydrophobicContact CB-CE2 3.39Å; M1-F3 HydrophobicContact CB-CZ 4.24Å; M1-F3 HydrophobicContact CG-CE2 4.08Å; M1-F3 PolarHBondContact O-N 3.42Å; M1-F3 HydrophobicContact SD-CE2 3.54Å; M1-F3 VanDerWaalsContact SD-CE2 3.54Å; M1-F3 HydrophobicContact SD-CZ 3.98Å
2G62.2Low84.2Confident23 Ų2371.8 Ų71.824%0.23739%0.393CS..  trans-91.264.5-17100000114.3S6 D233G2-S6 PolarHBondContact O-OG 3.4Å; G2-D233 WeakPolarHBondContact CA-OD1 3.42Å; G2-D233 WeakPolarHBondContact CA-OD2 3.4Å
3F77.1Confident85.1Confident147 Ų14776 Ų7665%0.64540%0.4SS*.Hα-helixtrans-73.6-31.2-173.7-72.9-72.6000113.6M1 S6 L7M1-F3 HydrophobicContact CB-CD2 3.7Å; M1-F3 HydrophobicContact CB-CE2 3.39Å; M1-F3 HydrophobicContact CB-CZ 4.24Å; M1-F3 HydrophobicContact CG-CE2 4.08Å; M1-F3 PolarHBondContact O-N 3.42Å; M1-F3 HydrophobicContact SD-CE2 3.54Å; M1-F3 VanDerWaalsContact SD-CE2 3.54Å; M1-F3 HydrophobicContact SD-CZ 3.98Å; F3-S6 PolarHBondContact O-N 3.14Å; F3-L7 PolarHBondContact O-N 2.82Å
4A83.8Confident86Confident30 Ų3084.2 Ų84.225%0.24842%0.422CS..Hα-helixtrans-64.6-51.1-173.200000112.6S6 L7 I8 F229A4-S6 VanDerWaalsContact C-N 3.25Å; A4-S6 PolarHBondContact O-N 2.72Å; A4-L7 PolarHBondContact O-N 3.34Å; A4-I8 WeakPolarHBondContact O-CG1 3.37Å; A4-I8 PolarHBondContact O-N 3.02Å; A4-F229 HydrophobicContact CB-CD2 4.19Å; A4-F229 HydrophobicContact CB-CE2 3.72Å
5V88.7Confident86.8Confident2 Ų285 Ų851%0.01243%0.426CS..Hα-helixtrans-62.6-36177.2176.30000111S9 W77 L230 D233 L234 K237 Y238V5-S9 VanDerWaalsContact O-CB 3.27Å; V5-S9 WeakPolarHBondContact O-CB 3.29Å; V5-S9 PolarHBondContact O-N 2.87Å; V5-S9 PolarHBondContact O-OG 3.33Å; V5-W77 HydrophobicContact CG1-CH2 4.32Å; V5-W77 HydrophobicContact CG1-CZ2 3.83Å; V5-L230 HydrophobicContact CG2-CD1 3.59Å; V5-D233 HydrophobicContact CB-CB 4.18Å; V5-D233 HydrophobicContact CG2-CB 3.47Å; V5-D233 VanDerWaalsContact CG2-CB 3.47Å; V5-L234 HydrophobicContact CG1-CD2 4.02Å; V5-L234 HydrophobicContact CG2-CD2 3.98Å; V5-L234 HydrophobicContact CG2-CG 3.84Å; V5-K237 HydrophobicContact CG1-CD 3.65Å; V5-Y238 HydrophobicContact CG1-CE2 3.78Å
6S89.2Confident87.5Confident60 Ų6079.7 Ų79.742%0.4240%0.399SS..Hα-helixtrans-66-41176.8-63.70000112.4G2 F3 A4 S9 A10G2-S6 PolarHBondContact O-OG 3.4Å; F3-S6 PolarHBondContact O-N 3.14Å; A4-S6 VanDerWaalsContact C-N 3.25Å; A4-S6 PolarHBondContact O-N 2.72Å; S6-S9 WeakPolarHBondContact O-CB 3.5Å; S6-S9 PolarHBondContact O-N 2.83Å; S6-A10 PolarHBondContact O-N 3.07Å
7L89.7Confident88.1Confident122 Ų12277.5 Ų77.564%0.63940%0.397SS*.Hα-helixtrans-64.7-46.5174.7-177.465000111.8F3 A4 S9 A10 M11F3-L7 PolarHBondContact O-N 2.82Å; A4-L7 PolarHBondContact O-N 3.34Å; L7-S9 VanDerWaalsContact C-N 3.31Å; L7-S9 PolarHBondContact O-N 3.49Å; L7-A10 WeakPolarHBondContact O-CB 3.07Å; L7-A10 PolarHBondContact O-N 3.25Å; L7-A10 VanDerWaalsContact O-N 3.11Å; L7-M11 PolarHBondContact O-N 2.79Å; L7-M11 VanDerWaalsContact O-N 3.1Å
8I91.8Very high88.6Confident51 Ų5178.7 Ų78.726%0.26241%0.413SS..Hα-helixtrans-62-42.3176.2-62.1164.7000110.2A4 A10 M11 F12 W77 L230A4-I8 WeakPolarHBondContact O-CG1 3.37Å; A4-I8 PolarHBondContact O-N 3.02Å; I8-A10 VanDerWaalsContact C-N 3.27Å; I8-A10 PolarHBondContact O-N 2.96Å; I8-M11 WeakPolarHBondContact O-CB 3.44Å; I8-M11 PolarHBondContact O-N 2.91Å; I8-M11 VanDerWaalsContact O-N 3.11Å; I8-F12 HydrophobicContact CG2-CD2 3.77Å; I8-F12 HydrophobicContact CG2-CE2 3.36Å; I8-F12 HydrophobicContact CG2-CZ 4.32Å; I8-F12 VanDerWaalsContact O-CD2 3.31Å; I8-F12 WeakPolarHBondContact O-CD2 3.39Å; I8-F12 PolarHBondContact O-N 3.08Å; I8-F12 VanDerWaalsContact O-N 3.09Å; I8-W77 HydrophobicContact CB-CH2 3.65Å; I8-W77 HydrophobicContact CB-CZ2 3.78Å; I8-W77 HydrophobicContact CD1-CH2 4.05Å; I8-W77 HydrophobicContact CG1-CH2 4.47Å; I8-W77 HydrophobicContact CG2-CE3 4.35Å; I8-W77 HydrophobicContact CG2-CH2 3.21Å; I8-W77 HydrophobicContact CG2-CZ2 3.51Å; I8-W77 HydrophobicContact CG2-CZ3 3.68Å; I8-L230 HydrophobicContact CD1-CD1 4.04Å
9S92.7Very high89.1Confident3 Ų375 Ų752%0.02140%0.395CS..Hα-helixtrans-59.4-38.4174.7-57.50000111.7V5 S6 L7 M11 F12 R13 W77 K237 Y238V5-S9 VanDerWaalsContact O-CB 3.27Å; V5-S9 WeakPolarHBondContact O-CB 3.29Å; V5-S9 PolarHBondContact O-N 2.87Å; V5-S9 PolarHBondContact O-OG 3.33Å; S6-S9 WeakPolarHBondContact O-CB 3.5Å; S6-S9 PolarHBondContact O-N 2.83Å; L7-S9 VanDerWaalsContact C-N 3.31Å; L7-S9 PolarHBondContact O-N 3.49Å; S9-M11 VanDerWaalsContact C-N 3.34Å; S9-F12 PolarHBondContact O-N 3.02Å; S9-R13 WeakPolarHBondContact O-CB 3.35Å; S9-R13 VanDerWaalsContact O-CG 3.27Å; S9-R13 WeakPolarHBondContact O-CG 3.16Å; S9-R13 PolarHBondContact O-N 3.28Å; S9-W77 PolarHBondContact OG-NE1 3.25Å; S9-K237 PolarHBondContact OG-NZ 3.36Å; S9-Y238 PolarHBondContact OG-OH 3.3Å
10A94.3Very high89.5Confident52 Ų5272.1 Ų72.143%0.4338%0.383SS..Hα-helixtrans-65.5-37.1176.800000112.1S6 L7 I8 R13 R14S6-A10 PolarHBondContact O-N 3.07Å; L7-A10 WeakPolarHBondContact O-CB 3.07Å; L7-A10 PolarHBondContact O-N 3.25Å; L7-A10 VanDerWaalsContact O-N 3.11Å; I8-A10 VanDerWaalsContact C-N 3.27Å; I8-A10 PolarHBondContact O-N 2.96Å; A10-R13 PolarHBondContact O-N 3.44Å; A10-R14 WeakPolarHBondContact O-CB 3.2Å; A10-R14 PolarHBondContact O-N 2.95Å
11M95.4Very high90Very high128 Ų12868.6 Ų68.663%0.63137%0.365SS*.Hα-helixtrans-62.2-47.4173.4-66.1176.363.100111.6L7 I8 S9 R13 R14 M15L7-M11 PolarHBondContact O-N 2.79Å; L7-M11 VanDerWaalsContact O-N 3.1Å; I8-M11 WeakPolarHBondContact O-CB 3.44Å; I8-M11 PolarHBondContact O-N 2.91Å; I8-M11 VanDerWaalsContact O-N 3.11Å; S9-M11 VanDerWaalsContact C-N 3.34Å; M11-R13 PolarHBondContact O-N 3.06Å; M11-R14 WeakPolarHBondContact O-CB 3.49Å; M11-R14 PolarHBondContact O-N 3.39Å; M11-R14 VanDerWaalsContact O-N 3.13Å; M11-M15 PolarHBondContact O-N 2.75Å
12F96.1Very high92.3Very high49 Ų4964.5 Ų64.522%0.21534%0.339CS..Hα-helixtrans-64-39.9177-72.2-56.9000112.9I8 S9 R14 M15 F16 T76 W77I8-F12 HydrophobicContact CG2-CD2 3.77Å; I8-F12 HydrophobicContact CG2-CE2 3.36Å; I8-F12 HydrophobicContact CG2-CZ 4.32Å; I8-F12 VanDerWaalsContact O-CD2 3.31Å; I8-F12 WeakPolarHBondContact O-CD2 3.39Å; I8-F12 PolarHBondContact O-N 3.08Å; I8-F12 VanDerWaalsContact O-N 3.09Å; S9-F12 PolarHBondContact O-N 3.02Å; F12-R14 VanDerWaalsContact C-N 3.27Å; F12-R14 PolarHBondContact O-N 2.84Å; F12-M15 HydrophobicContact CD1-SD 3.9Å; F12-M15 HydrophobicContact CE1-SD 4.36Å; F12-M15 WeakPolarHBondContact O-CB 3.42Å; F12-M15 PolarHBondContact O-N 2.79Å; F12-M15 VanDerWaalsContact O-N 3.14Å; F12-F16 PolarHBondContact O-N 2.87Å; F12-F16 VanDerWaalsContact O-N 3.14Å; F12-T76 WeakPolarHBondContact CB-O 3.43Å; F12-T76 WeakPolarHBondContact CD1-O 3.45Å; F12-W77 HydrophobicContact CD2-CB 4.33Å; F12-W77 AromaticContact CD2-CD1 3.91Å; F12-W77 AromaticContact CD2-CD2 3.62Å; F12-W77 HydrophobicContact CD2-CD2 3.62Å; F12-W77 AromaticContact CD2-CE2 3.78Å; F12-W77 HydrophobicContact CD2-CE3 4.15Å; F12-W77 AromaticContact CD2-CG 3.7Å; F12-W77 HydrophobicContact CD2-CG 3.7Å; F12-W77 HydrophobicContact CD2-CZ2 4.41Å; F12-W77 AromaticContact CD2-NE1 3.95Å; F12-W77 HydrophobicContact CE2-CB 4.3Å; F12-W77 AromaticContact CE2-CD2 3.42Å; F12-W77 HydrophobicContact CE2-CD2 3.42Å; F12-W77 VanDerWaalsContact CE2-CD2 3.42Å; F12-W77 AromaticContact CE2-CE2 3.91Å; F12-W77 AromaticContact CE2-CE3 3.46Å; F12-W77 HydrophobicContact CE2-CE3 3.46Å; F12-W77 VanDerWaalsContact CE2-CE3 3.46Å; F12-W77 AromaticContact CE2-CG 3.83Å; F12-W77 HydrophobicContact CE2-CG 3.83Å; F12-W77 HydrophobicContact CE2-CH2 4.39Å; F12-W77 HydrophobicContact CE2-CZ2 4.37Å; F12-W77 AromaticContact CE2-CZ3 3.96Å; F12-W77 HydrophobicContact CE2-CZ3 3.96Å; F12-W77 HydrophobicContact CZ-CD2 4.49Å; F12-W77 HydrophobicContact CZ-CE3 4.3Å
13R96.6Very high94Very high126 Ų12667.2 Ų67.248%0.47535%0.353SS..Hα-helixtrans-61-36.6172.3-73.6177.5176.7-143.4-1.6112.1S9 A10 M11 F16 A17 W38 T76S9-R13 WeakPolarHBondContact O-CB 3.35Å; S9-R13 VanDerWaalsContact O-CG 3.27Å; S9-R13 WeakPolarHBondContact O-CG 3.16Å; S9-R13 PolarHBondContact O-N 3.28Å; A10-R13 PolarHBondContact O-N 3.44Å; M11-R13 PolarHBondContact O-N 3.06Å; R13-F16 PolarHBondContact O-N 3.39Å; R13-A17 WeakPolarHBondContact O-CB 3.37Å; R13-A17 PolarHBondContact O-N 3.29Å; R13-W38 HydrophobicContact CB-CH2 4.08Å; R13-W38 HydrophobicContact CG-CH2 3.84Å; R13-W38 HydrophobicContact CG-CZ2 3.86Å; R13-T76 HydrophobicContact CG-CG2 4.28Å
14R97.1Very high94.9Very high191 Ų19161.2 Ų61.272%0.72133%0.332SS*.Hα-helixtrans-66.8-36.1174.7-171.7176178.9175.2-1111.9A10 M11 F12 A17 S18A10-R14 WeakPolarHBondContact O-CB 3.2Å; A10-R14 PolarHBondContact O-N 2.95Å; M11-R14 WeakPolarHBondContact O-CB 3.49Å; M11-R14 PolarHBondContact O-N 3.39Å; M11-R14 VanDerWaalsContact O-N 3.13Å; F12-R14 VanDerWaalsContact C-N 3.27Å; F12-R14 PolarHBondContact O-N 2.84Å; R14-A17 PolarHBondContact O-N 3.04Å; R14-S18 WeakPolarHBondContact O-CB 3.33Å; R14-S18 PolarHBondContact O-N 2.79Å; R14-S18 PolarHBondContact O-OG 2.8Å
15M97.8Very high95.5Very high96 Ų9662.9 Ų62.947%0.47334%0.342SS..Hα-helixtrans-60.2-46.4172.7-67.4175.8134.200111.3M11 F12 S18 A19M11-M15 PolarHBondContact O-N 2.75Å; F12-M15 HydrophobicContact CD1-SD 3.9Å; F12-M15 HydrophobicContact CE1-SD 4.36Å; F12-M15 WeakPolarHBondContact O-CB 3.42Å; F12-M15 PolarHBondContact O-N 2.79Å; F12-M15 VanDerWaalsContact O-N 3.14Å; M15-S18 PolarHBondContact O-N 2.93Å; M15-A19 WeakPolarHBondContact O-CB 3.42Å; M15-A19 PolarHBondContact O-N 2.83Å
16F98.4Very high95.9Very high0 Ų063.3 Ų63.30%035%0.345CS..Hα-helixtrans-60.7-47.5175.2-86.5-129000111.9F12 R13 S18 A19 G20 L21 W38 T76 W79 V83 V94F12-F16 PolarHBondContact O-N 2.87Å; F12-F16 VanDerWaalsContact O-N 3.14Å; R13-F16 PolarHBondContact O-N 3.39Å; F16-S18 VanDerWaalsContact C-N 3.35Å; F16-S18 PolarHBondContact O-N 3.03Å; F16-A19 CarbonylContact O-C 3.55Å; F16-A19 WeakPolarHBondContact O-CA 3.35Å; F16-A19 WeakPolarHBondContact O-CB 3.45Å; F16-A19 PolarHBondContact O-N 3.45Å; F16-A19 VanDerWaalsContact O-N 3.09Å; F16-G20 PolarHBondContact O-N 3.13Å; F16-L21 HydrophobicContact CB-CB 4.3Å; F16-L21 HydrophobicContact CD1-CB 4.37Å; F16-L21 HydrophobicContact CD1-CD2 3.63Å; F16-L21 HydrophobicContact CE1-CD2 3.98Å; F16-L21 HydrophobicContact CG-CD2 4.32Å; F16-L21 WeakPolarHBondContact O-CB 3.1Å; F16-L21 PolarHBondContact O-N 3.07Å; F16-W38 HydrophobicContact CB-CD2 4.47Å; F16-W38 HydrophobicContact CB-CE3 3.91Å; F16-W38 HydrophobicContact CB-CZ3 4Å; F16-W38 HydrophobicContact CD1-CB 3.84Å; F16-W38 AromaticContact CD1-CD2 3.6Å; F16-W38 HydrophobicContact CD1-CD2 3.6Å; F16-W38 AromaticContact CD1-CE3 3.83Å; F16-W38 HydrophobicContact CD1-CE3 3.83Å; F16-W38 AromaticContact CD1-CG 3.6Å; F16-W38 HydrophobicContact CD1-CG 3.6Å; F16-W38 HydrophobicContact CE1-CB 4.06Å; F16-W38 HydrophobicContact CE1-CD2 4.31Å; F16-W38 AromaticContact CE1-CG 3.89Å; F16-W38 HydrophobicContact CE1-CG 3.89Å; F16-W38 HydrophobicContact CG-CD2 4.44Å; F16-W38 HydrophobicContact CG-CE3 4.34Å; F16-T76 HydrophobicContact CD1-CG2 4.06Å; F16-T76 HydrophobicContact CD2-CG2 4.23Å; F16-T76 HydrophobicContact CE1-CG2 4.02Å; F16-T76 HydrophobicContact CE2-CG2 4.23Å; F16-T76 HydrophobicContact CG-CG2 4.17Å; F16-T76 HydrophobicContact CZ-CG2 4.12Å; F16-W79 HydrophobicContact CE2-CB 4.48Å; F16-W79 HydrophobicContact CZ-CB 4.09Å; F16-V83 HydrophobicContact CD1-CG1 4.47Å; F16-V83 HydrophobicContact CD2-CB 4.4Å; F16-V83 HydrophobicContact CD2-CG1 4.01Å; F16-V83 HydrophobicContact CD2-CG2 3.67Å; F16-V83 HydrophobicContact CE1-CG1 4.1Å; F16-V83 HydrophobicContact CE2-CB 4.31Å; F16-V83 HydrophobicContact CE2-CG1 3.54Å; F16-V83 HydrophobicContact CE2-CG2 3.8Å; F16-V83 HydrophobicContact CG-CG1 4.43Å; F16-V83 HydrophobicContact CG-CG2 4.41Å; F16-V83 HydrophobicContact CZ-CG1 3.6Å; F16-V94 HydrophobicContact CE1-CB 4.14Å; F16-V94 HydrophobicContact CE1-CG1 4.11Å; F16-V94 HydrophobicContact CE1-CG2 3.99Å; F16-V94 HydrophobicContact CZ-CG1 4.36Å
17A98.1Very high96.3Very high43 Ų4364.4 Ų64.436%0.35535%0.35SS..Hα-helixtrans-61.3-42.4179.900000112.5R13 R14 A19 G20 R22R13-A17 WeakPolarHBondContact O-CB 3.37Å; R13-A17 PolarHBondContact O-N 3.29Å; R14-A17 PolarHBondContact O-N 3.04Å; A17-A19 VanDerWaalsContact C-N 3.27Å; A17-A19 PolarHBondContact O-N 2.75Å; A17-G20 PolarHBondContact O-N 3.41Å; A17-G20 VanDerWaalsContact O-N 3.08Å; A17-R22 PolarHBondContact O-NH1 3.42Å
18S97.7Very high96.6Very high98 Ų9859.3 Ų59.369%0.68532%0.324SS*.Hα-helixtrans-65.2-29.5174.8-62.50000112.7R14 M15 F16 G20R14-S18 WeakPolarHBondContact O-CB 3.33Å; R14-S18 PolarHBondContact O-N 2.79Å; R14-S18 PolarHBondContact O-OG 2.8Å; M15-S18 PolarHBondContact O-N 2.93Å; F16-S18 VanDerWaalsContact C-N 3.35Å; F16-S18 PolarHBondContact O-N 3.03Å; S18-G20 PolarHBondContact O-N 3.05Å
19A97.8Very high96.6Very high9 Ų959.1 Ų59.17%0.07432%0.323CS..THydrogen-bonded Turntrans-794.3173.200000113.5M15 F16 A17 L21 V83 S87M15-A19 WeakPolarHBondContact O-CB 3.42Å; M15-A19 PolarHBondContact O-N 2.83Å; F16-A19 CarbonylContact O-C 3.55Å; F16-A19 WeakPolarHBondContact O-CA 3.35Å; F16-A19 WeakPolarHBondContact O-CB 3.45Å; F16-A19 PolarHBondContact O-N 3.45Å; F16-A19 VanDerWaalsContact O-N 3.09Å; A17-A19 VanDerWaalsContact C-N 3.27Å; A17-A19 PolarHBondContact O-N 2.75Å; A19-L21 HydrophobicContact CB-CD1 3.89Å; A19-L21 WeakPolarHBondContact O-CD1 3.35Å; A19-V83 HydrophobicContact CB-CB 4.16Å; A19-V83 HydrophobicContact CB-CG2 4.19Å; A19-S87 WeakPolarHBondContact CB-OG 3.42Å; A19-S87 WeakPolarHBondContact O-CB 3.32Å; A19-S87 PolarHBondContact O-OG 3.41Å
20G97.5Very high96.5Very high16 Ų1667.4 Ų67.417%0.16537%0.367CS..THydrogen-bonded Turntrans87.84.4177.700000114.7F16 A17 S18 S41F16-G20 PolarHBondContact O-N 3.13Å; A17-G20 PolarHBondContact O-N 3.41Å; A17-G20 VanDerWaalsContact O-N 3.08Å; S18-G20 PolarHBondContact O-N 3.05Å; G20-S41 PolarHBondContact O-N 2.79Å; G20-S41 PolarHBondContact O-OG 3.24Å
21L98.4Very high96.4Very high0 Ų069.8 Ų69.80%037%0.372CS..EExtended strand (participates in β ladder)trans-84.4146-178.7-74.167000111.1F16 A19 W38 A39 V83 L92 V94F16-L21 HydrophobicContact CB-CB 4.3Å; F16-L21 HydrophobicContact CD1-CB 4.37Å; F16-L21 HydrophobicContact CD1-CD2 3.63Å; F16-L21 HydrophobicContact CE1-CD2 3.98Å; F16-L21 HydrophobicContact CG-CD2 4.32Å; F16-L21 WeakPolarHBondContact O-CB 3.1Å; F16-L21 PolarHBondContact O-N 3.07Å; A19-L21 HydrophobicContact CB-CD1 3.89Å; A19-L21 WeakPolarHBondContact O-CD1 3.35Å; L21-W38 HydrophobicContact CB-CB 4.3Å; L21-W38 HydrophobicContact CB-CE3 4.29Å; L21-W38 HydrophobicContact CD2-CB 4.03Å; L21-A39 CarbonylContact C-O 3.5Å; L21-A39 VanDerWaalsContact CA-O 3.29Å; L21-A39 WeakPolarHBondContact CA-O 3.42Å; L21-V83 HydrophobicContact CD2-CG1 4.18Å; L21-L92 HydrophobicContact CD1-CB 4.22Å; L21-L92 HydrophobicContact CD1-CD1 4.19Å; L21-L92 HydrophobicContact CD1-CG 4.46Å; L21-L92 HydrophobicContact CD2-CB 4.14Å; L21-L92 HydrophobicContact CG-CB 4.38Å; L21-V94 HydrophobicContact CD2-CG2 3.78Å
22R97.8Very high96.3Very high108 Ų10865 Ų6541%0.40836%0.357SS..EExtended strand (participates in β ladder)trans-129.2141.6174.6-60.6-65.7177-93.1-0.4109.9A17 W38 A39 L44A17-R22 PolarHBondContact O-NH1 3.42Å; R22-W38 WeakPolarHBondContact O-CA 3.33Å; R22-A39 PolarHBondContact N-O 3.06Å; R22-A39 PolarHBondContact O-N 2.76Å; R22-L44 HydrophobicContact CB-CD1 3.64Å; R22-L44 HydrophobicContact CG-CD1 4.3Å
23P97.2Very high96.4Very high81 Ų8162.7 Ų62.753%0.52635%0.346SS..EExtended strand (participates in β ladder)trans-74.2147.2176.632.4-33000110.3F37 W38P23-F37 CarbonylContact C-O 3.54Å; P23-F37 WeakPolarHBondContact CA-O 3.36Å; P23-W38 HydrophobicContact CB-CD2 4.1Å; P23-W38 HydrophobicContact CB-CE3 4.12Å; P23-W38 HydrophobicContact CB-CH2 4.06Å; P23-W38 HydrophobicContact CB-CZ2 4.02Å; P23-W38 HydrophobicContact CB-CZ3 4.12Å; P23-W38 HydrophobicContact CG-CE3 4.46Å; P23-W38 HydrophobicContact CG-CH2 4.09Å; P23-W38 HydrophobicContact CG-CZ3 4.07Å
24G96.3Very high96.4Very high21 Ų2158.2 Ų58.222%0.21633%0.333CS..EExtended strand (participates in β ladder)trans-152.8171.5174.300000111.3H36 F37G24-H36 WeakPolarHBondContact O-CA 3.37Å; G24-F37 PolarHBondContact N-O 3.34Å; G24-F37 PolarHBondContact O-N 3.04Å
25S97.3Very high96.5Very high65 Ų6549.1 Ų49.146%0.45530%0.299SS..EExtended strand (participates in β ladder)trans-139.7144.8174.1-53.80000109.6L35 H36S25-L35 CarbonylContact C-O 3.52Å; S25-L35 VanDerWaalsContact CA-O 3.28Å; S25-L35 WeakPolarHBondContact CA-O 3.28Å; S25-H36 PolarHBondContact OG-CD2 3.13Å; S25-H36 PolarHBondContact OG-CE1 2.99Å; S25-H36 PolarHBondContact OG-ND1 3.09Å; S25-H36 PolarHBondContact OG-NE2 3.16Å
26A96.9Very high96.5Very high10 Ų1047.4 Ų47.48%0.08329%0.289CS..EExtended strand (participates in β ladder)trans-139.9139.3175.300000110.2V28 T34 L35 F37 L122 H129A26-V28 HydrophobicContact CB-CG1 4.18Å; A26-T34 CarbonylContact O-C 3.57Å; A26-T34 VanDerWaalsContact O-CA 3.32Å; A26-T34 WeakPolarHBondContact O-CA 3.43Å; A26-L35 PolarHBondContact N-O 3.43Å; A26-L35 PolarHBondContact O-N 2.97Å; A26-F37 HydrophobicContact CB-CE1 3.91Å; A26-L122 HydrophobicContact CB-CD1 3.97Å; A26-H129 HydrophobicContact CB-CB 3.95Å
27V97.3Very high96.4Very high84 Ų8447.8 Ų47.851%0.50929%0.291SS..EExtended strand (participates in β ladder)trans-82.3119162.4-1780000106.5D29 T33 H129V27-D29 WeakPolarHBondContact CG1-O 3.49Å; V27-T33 CarbonylContact C-O 3.52Å; V27-T33 VanDerWaalsContact CA-O 3.32Å; V27-T33 WeakPolarHBondContact CA-O 3.43Å; V27-H129 PolarHBondContact O-CE1 2.93Å
28V95.6Very high96.5Very high15 Ų1546.9 Ų46.99%0.09128%0.278CS..  trans-105.9-8.2-168-59.70000114A26 T33 L35 A118 A121 L122A26-V28 HydrophobicContact CB-CG1 4.18Å; V28-T33 HydrophobicContact CG2-CG2 3.75Å; V28-T33 WeakPolarHBondContact CG2-O 3.15Å; V28-T33 PolarHBondContact N-O 2.82Å; V28-L35 HydrophobicContact CG1-CB 4.4Å; V28-L35 HydrophobicContact CG1-CD1 4.33Å; V28-L35 HydrophobicContact CG1-CG 4.49Å; V28-L35 HydrophobicContact CG2-CD1 4.46Å; V28-L35 HydrophobicContact CG2-CG 4.44Å; V28-A118 HydrophobicContact CG2-CB 4.11Å; V28-A121 HydrophobicContact CB-CB 3.88Å; V28-A121 HydrophobicContact CG2-CB 4.39Å; V28-A121 WeakPolarHBondContact O-CB 3.33Å; V28-L122 HydrophobicContact CG1-CB 4.03Å; V28-L122 HydrophobicContact CG1-CD1 4.5Å
29D93.1Very high96.5Very high46 Ų4642.2 Ų42.225%0.24625%0.246CC..SBendtrans-148.4172.8175.662.627.9000111.5V27 D31 G32 T33V27-D29 WeakPolarHBondContact CG1-O 3.49Å; D29-D31 PolarHBondContact O-N 2.96Å; D29-D31 PolarHBondContact OD1-N 2.85Å; D29-D31 VanDerWaalsContact OD1-N 3.12Å; D29-G32 PolarHBondContact O-N 2.84Å; D29-G32 PolarHBondContact OD1-N 3.31Å; D29-T33 WeakPolarHBondContact OD1-CB 3.12Å; D29-T33 PolarHBondContact OD1-N 2.86Å; D29-T33 PolarHBondContact OD1-OG1 2.81Å; D29-T33 VanDerWaalsContact OD1-OG1 3.05Å; D29-T33 WeakPolarHBondContact OD2-CB 3.28Å; D29-T33 PolarHBondContact OD2-OG1 2.7Å
30D90.8Very high96.5Very high178 Ų17843.2 Ų43.295%0.95225%0.249SC*.THydrogen-bonded Turntrans-73.7-15.2179.8-64.7-34.1000113.1G32D30-G32 PolarHBondContact O-N 2.92Å
31D91.1Very high96.3Very high101 Ų10144.3 Ų44.354%0.5425%0.254SS..THydrogen-bonded Turntrans-802.5176.5-70.6-44000112.7D29 S106 A107D29-D31 PolarHBondContact O-N 2.96Å; D29-D31 PolarHBondContact OD1-N 2.85Å; D29-D31 VanDerWaalsContact OD1-N 3.12Å; D31-S106 PolarHBondContact O-OG 3.33Å; D31-A107 HydrophobicContact CB-CB 4.23Å
32G93.3Very high96Very high29 Ų2946.1 Ų46.130%0.29927%0.267SS..  trans7818.5179.700000113.6D29 D30 T34D29-G32 PolarHBondContact O-N 2.84Å; D29-G32 PolarHBondContact OD1-N 3.31Å; D30-G32 PolarHBondContact O-N 2.92Å; G32-T34 PolarHBondContact O-N 3.46Å; G32-T34 PolarHBondContact O-OG1 2.75Å
33T97.5Very high95.8Very high0 Ų041 Ų410%025%0.247CC..  trans-60.4112.6174.2-61.60000109.3V27 V28 D29 L98 T104 T105 A118V27-T33 CarbonylContact C-O 3.52Å; V27-T33 VanDerWaalsContact CA-O 3.32Å; V27-T33 WeakPolarHBondContact CA-O 3.43Å; V28-T33 HydrophobicContact CG2-CG2 3.75Å; V28-T33 WeakPolarHBondContact CG2-O 3.15Å; V28-T33 PolarHBondContact N-O 2.82Å; D29-T33 WeakPolarHBondContact OD1-CB 3.12Å; D29-T33 PolarHBondContact OD1-N 2.86Å; D29-T33 PolarHBondContact OD1-OG1 2.81Å; D29-T33 VanDerWaalsContact OD1-OG1 3.05Å; D29-T33 WeakPolarHBondContact OD2-CB 3.28Å; D29-T33 PolarHBondContact OD2-OG1 2.7Å; T33-L98 HydrophobicContact CG2-CD1 4.09Å; T33-L98 HydrophobicContact CG2-CD2 3.63Å; T33-L98 HydrophobicContact CG2-CG 4.47Å; T33-T104 CarbonylContact C-O 3.47Å; T33-T105 WeakPolarHBondContact OG1-CB 3.23Å; T33-T105 PolarHBondContact OG1-OG1 3.46Å; T33-A118 HydrophobicContact CG2-CB 3.99Å
34T97.8Very high95.6Very high32 Ų3240 Ų4020%0.19624%0.237CC..EExtended strand (participates in β ladder)trans-106.2117.9-179.6-58.30000109.3A26 G32 S103 T104A26-T34 CarbonylContact O-C 3.57Å; A26-T34 VanDerWaalsContact O-CA 3.32Å; A26-T34 WeakPolarHBondContact O-CA 3.43Å; G32-T34 PolarHBondContact O-N 3.46Å; G32-T34 PolarHBondContact O-OG1 2.75Å; T34-S103 CarbonylContact O-C 3.53Å; T34-S103 VanDerWaalsContact O-CA 3.25Å; T34-S103 WeakPolarHBondContact O-CA 3.07Å; T34-T104 PolarHBondContact N-O 3.01Å; T34-T104 PolarHBondContact O-N 2.95Å
35L97.9Very high95.2Very high0 Ų044.1 Ų44.10%025%0.253CS..EExtended strand (participates in β ladder)trans-100.8125.1171-74.8-177.1000110.6S25 A26 V28 T96 L98 A118 I119 L122S25-L35 CarbonylContact C-O 3.52Å; S25-L35 VanDerWaalsContact CA-O 3.28Å; S25-L35 WeakPolarHBondContact CA-O 3.28Å; A26-L35 PolarHBondContact N-O 3.43Å; A26-L35 PolarHBondContact O-N 2.97Å; V28-L35 HydrophobicContact CG1-CB 4.4Å; V28-L35 HydrophobicContact CG1-CD1 4.33Å; V28-L35 HydrophobicContact CG1-CG 4.49Å; V28-L35 HydrophobicContact CG2-CD1 4.46Å; V28-L35 HydrophobicContact CG2-CG 4.44Å; L35-T96 WeakPolarHBondContact CD2-O 3.44Å; L35-L98 HydrophobicContact CD2-CD2 3.67Å; L35-L98 HydrophobicContact CD2-CG 4.04Å; L35-A118 VanDerWaalsContact CD1-C 3.4Å; L35-A118 HydrophobicContact CD1-CB 3.84Å; L35-A118 VanDerWaalsContact CD1-O 3.24Å; L35-A118 WeakPolarHBondContact CD1-O 3.3Å; L35-A118 HydrophobicContact CD2-CB 4.45Å; L35-A118 HydrophobicContact CG-CB 4.25Å; L35-I119 HydrophobicContact CD1-CG1 4.13Å; L35-L122 HydrophobicContact CD1-CB 4.17Å; L35-L122 HydrophobicContact CD1-CD2 4.35Å
36H97.9Very high94.2Very high59 Ų5947.4 Ų47.427%0.27327%0.265SS..EExtended strand (participates in β ladder)trans-82.9143160.6-82.7-103.5000110.1G24 S25 T96 A102 S103G24-H36 WeakPolarHBondContact O-CA 3.37Å; S25-H36 PolarHBondContact OG-CD2 3.13Å; S25-H36 PolarHBondContact OG-CE1 2.99Å; S25-H36 PolarHBondContact OG-ND1 3.09Å; S25-H36 PolarHBondContact OG-NE2 3.16Å; H36-T96 WeakPolarHBondContact O-CA 3.37Å; H36-T96 VanDerWaalsContact O-CB 3.28Å; H36-T96 WeakPolarHBondContact O-CB 3.49Å; H36-T96 PolarHBondContact O-N 2.96Å; H36-T96 PolarHBondContact O-OG1 3.14Å; H36-A102 WeakPolarHBondContact CD2-CB 3.38Å; H36-A102 PolarHBondContact CD2-O 3.4Å; H36-A102 VanDerWaalsContact CD2-O 3.22Å; H36-A102 VanDerWaalsContact CE1-CB 3.43Å; H36-A102 WeakPolarHBondContact CE1-CB 3.35Å; H36-A102 WeakPolarHBondContact NE2-CB 3.32Å; H36-S103 PolarHBondContact N-OG 3.1Å
37F98.1Very high92.9Very high8 Ų849.6 Ų49.64%0.03528%0.278CS..EExtended strand (participates in β ladder)trans-150.2164.6179.859.1-92.2000111.4P23 G24 A26 A39 L44 V94 L122 L130P23-F37 CarbonylContact C-O 3.54Å; P23-F37 WeakPolarHBondContact CA-O 3.36Å; G24-F37 PolarHBondContact N-O 3.34Å; G24-F37 PolarHBondContact O-N 3.04Å; A26-F37 HydrophobicContact CB-CE1 3.91Å; F37-A39 HydrophobicContact CD2-CB 3.93Å; F37-A39 HydrophobicContact CE2-CB 4Å; F37-L44 HydrophobicContact CE2-CD2 4.04Å; F37-V94 CarbonylContact C-O 3.56Å; F37-V94 WeakPolarHBondContact CA-O 3.47Å; F37-L122 HydrophobicContact CB-CD2 4.01Å; F37-L122 HydrophobicContact CD1-CD1 3.65Å; F37-L122 HydrophobicContact CD1-CD2 3.85Å; F37-L122 HydrophobicContact CD1-CG 4.42Å; F37-L122 HydrophobicContact CE1-CD1 3.55Å; F37-L122 HydrophobicContact CG-CD1 4.39Å; F37-L122 HydrophobicContact CG-CD2 4.02Å; F37-L122 HydrophobicContact CZ-CD1 4.21Å; F37-L130 HydrophobicContact CD2-CD2 4.37Å; F37-L130 HydrophobicContact CE2-CD2 3.73Å; F37-L130 HydrophobicContact CZ-CD2 4.18Å
38W98.4Very high91.5Very high24 Ų2448.3 Ų48.39%0.09127%0.273CS..EExtended strand (participates in β ladder)trans-113.3130.9161.8-63.675.9000108.7R13 F16 L21 R22 P23 T76 V93 V94R13-W38 HydrophobicContact CB-CH2 4.08Å; R13-W38 HydrophobicContact CG-CH2 3.84Å; R13-W38 HydrophobicContact CG-CZ2 3.86Å; F16-W38 HydrophobicContact CB-CD2 4.47Å; F16-W38 HydrophobicContact CB-CE3 3.91Å; F16-W38 HydrophobicContact CB-CZ3 4Å; F16-W38 HydrophobicContact CD1-CB 3.84Å; F16-W38 AromaticContact CD1-CD2 3.6Å; F16-W38 HydrophobicContact CD1-CD2 3.6Å; F16-W38 AromaticContact CD1-CE3 3.83Å; F16-W38 HydrophobicContact CD1-CE3 3.83Å; F16-W38 AromaticContact CD1-CG 3.6Å; F16-W38 HydrophobicContact CD1-CG 3.6Å; F16-W38 HydrophobicContact CE1-CB 4.06Å; F16-W38 HydrophobicContact CE1-CD2 4.31Å; F16-W38 AromaticContact CE1-CG 3.89Å; F16-W38 HydrophobicContact CE1-CG 3.89Å; F16-W38 HydrophobicContact CG-CD2 4.44Å; F16-W38 HydrophobicContact CG-CE3 4.34Å; L21-W38 HydrophobicContact CB-CB 4.3Å; L21-W38 HydrophobicContact CB-CE3 4.29Å; L21-W38 HydrophobicContact CD2-CB 4.03Å; R22-W38 WeakPolarHBondContact O-CA 3.33Å; P23-W38 HydrophobicContact CB-CD2 4.1Å; P23-W38 HydrophobicContact CB-CE3 4.12Å; P23-W38 HydrophobicContact CB-CH2 4.06Å; P23-W38 HydrophobicContact CB-CZ2 4.02Å; P23-W38 HydrophobicContact CB-CZ3 4.12Å; P23-W38 HydrophobicContact CG-CE3 4.46Å; P23-W38 HydrophobicContact CG-CH2 4.09Å; P23-W38 HydrophobicContact CG-CZ3 4.07Å; W38-T76 HydrophobicContact CZ2-CG2 3.91Å; W38-V93 CarbonylContact O-C 3.53Å; W38-V93 WeakPolarHBondContact O-CA 3.49Å; W38-V94 HydrophobicContact CB-CB 4.19Å; W38-V94 PolarHBondContact N-O 2.88Å; W38-V94 PolarHBondContact O-N 3.34Å
39A98.1Very high90Very high0 Ų056.7 Ų56.70%031%0.308CS..EExtended strand (participates in β ladder)trans-128.9145.4177.700000110.6L21 R22 F37 L43 L44 L92 L130L21-A39 CarbonylContact C-O 3.5Å; L21-A39 VanDerWaalsContact CA-O 3.29Å; L21-A39 WeakPolarHBondContact CA-O 3.42Å; R22-A39 PolarHBondContact N-O 3.06Å; R22-A39 PolarHBondContact O-N 2.76Å; F37-A39 HydrophobicContact CD2-CB 3.93Å; F37-A39 HydrophobicContact CE2-CB 4Å; A39-L43 HydrophobicContact CB-CB 4.35Å; A39-L44 HydrophobicContact CB-CD2 3.98Å; A39-L44 HydrophobicContact CB-CG 4.22Å; A39-L92 CarbonylContact C-O 3.57Å; A39-L92 WeakPolarHBondContact CA-O 3.01Å; A39-L130 HydrophobicContact CB-CD2 3.75Å
40H97.3Very high89Confident31 Ų3160.1 Ų60.114%0.14433%0.327CS..EExtended strand (participates in β ladder)trans-57.7140.7170.5-173.3-101.6000109.7S42 L43 D91 L92H40-S42 PolarHBondContact ND1-N 3.05Å; H40-S42 PolarHBondContact ND1-OG 3.02Å; H40-S42 PolarHBondContact O-N 3.4Å; H40-L43 WeakPolarHBondContact O-CB 3.11Å; H40-L43 PolarHBondContact O-N 3.23Å; H40-D91 HydrophobicContact CB-CB 4.24Å; H40-D91 IonicContact CE1-OD1 2.79Å; H40-D91 IonicContact CG-OD1 3.81Å; H40-D91 IonicContact ND1-OD1 3.76Å; H40-D91 PolarHBondContact ND1-OD1 3.08Å; H40-L92 PolarHBondContact N-O 2.86Å
41S94.8Very high87.7Confident38 Ų3854.4 Ų54.427%0.26631%0.309SS..Hα-helixtrans-59-27.6-170.6-59.50000113.3G20 L43 L44G20-S41 PolarHBondContact O-N 2.79Å; G20-S41 PolarHBondContact O-OG 3.24Å; S41-L43 PolarHBondContact O-N 3.04Å; S41-L44 PolarHBondContact O-N 2.86Å
42S92.1Very high86.7Confident39 Ų3953.9 Ų53.927%0.27332%0.319SS..Hα-helixtrans-63.2-25.7173.762.50000113.5H40 D91H40-S42 PolarHBondContact ND1-N 3.05Å; H40-S42 PolarHBondContact ND1-OG 3.02Å; H40-S42 PolarHBondContact O-N 3.4Å; S42-D91 PolarHBondContact OG-OD1 2.71Å; S42-D91 PolarHBondContact OG-OD2 3.04Å
43L93.5Very high85.3Confident0 Ų054.8 Ų54.80%032%0.324CS..Hα-helixtrans-83.2-14.9-179.9-59.2-179.7000112.8A39 H40 S41 V64 D91 V93 L130 P131 G132 L133A39-L43 HydrophobicContact CB-CB 4.35Å; H40-L43 WeakPolarHBondContact O-CB 3.11Å; H40-L43 PolarHBondContact O-N 3.23Å; S41-L43 PolarHBondContact O-N 3.04Å; L43-V64 HydrophobicContact CD1-CG1 4.48Å; L43-V64 HydrophobicContact CD2-CG2 4.32Å; L43-D91 HydrophobicContact CD1-CB 4.01Å; L43-D91 HydrophobicContact CD2-CB 4.02Å; L43-D91 HydrophobicContact CG-CB 4Å; L43-V93 HydrophobicContact CD1-CG2 3.32Å; L43-L130 HydrophobicContact CB-CD2 4.39Å; L43-L130 CarbonylContact O-C 3.21Å; L43-L130 WeakPolarHBondContact O-CA 3.38Å; L43-P131 WeakPolarHBondContact O-CD 3.47Å; L43-P131 VanDerWaalsContact O-N 3.16Å; L43-G132 PolarHBondContact O-N 2.83Å; L43-L133 HydrophobicContact CD2-CD2 3.79Å; L43-L133 HydrophobicContact CD2-CG 4.23Å
44L92.7Very high83.8Confident59 Ų5956.2 Ų56.231%0.30934%0.336SS..Hα-helixtrans-95.9-11.8-177.7-62.3179.8000113.7R22 F37 A39 S41 L130R22-L44 HydrophobicContact CB-CD1 3.64Å; R22-L44 HydrophobicContact CG-CD1 4.3Å; F37-L44 HydrophobicContact CE2-CD2 4.04Å; A39-L44 HydrophobicContact CB-CD2 3.98Å; A39-L44 HydrophobicContact CB-CG 4.22Å; S41-L44 PolarHBondContact O-N 2.86Å; L44-L130 HydrophobicContact CD2-CD2 4.01Å
45I87.2Confident81.9Confident109 Ų10957.8 Ų57.856%0.55935%0.352SS*.SBendtrans-111.9145.1-178.860.2179.2000110G132I45-G132 PolarHBondContact O-N 3.33Å
46L77.3Confident80.1Confident134 Ų13461 Ų6170%0.70238%0.379SS*.PPolyproline II helixtrans-64.8136.8173.6-78.6163.7000109.9P131L46-P131 HydrophobicContact CD2-CB 3.87Å; L46-P131 HydrophobicContact CG-CB 3.96Å
47P69.3Low78.6Confident55 Ų5560.6 Ų60.636%0.35739%0.386SS..PPolyproline II helixtrans-56.4142169.5-22.332.3000111.1K49P47-K49 PolarHBondContact O-N 2.62Å
48S67.2Low77.1Confident57 Ų5761.4 Ų61.440%0.39939%0.393SS..PPolyproline II helixtrans-57.4132.9172.81750000110.3N50 A54S48-N50 PolarHBondContact OG-N 3.2Å; S48-A54 WeakPolarHBondContact O-CB 3.47Å
49K65.6Low75.4Confident191 Ų19164.8 Ų64.883%0.8343%0.426SS*.  trans-87.6-6.3176.8-65.6-172.3179.3-1770113.8P47 G51P47-K49 PolarHBondContact O-N 2.62Å; K49-G51 PolarHBondContact O-N 2.66Å; K49-G51 VanDerWaalsContact O-N 3.14Å
50N70.6Confident74.2Confident119 Ų11967.6 Ų67.664%0.63646%0.455SS*.SBendtrans-70.9109.9-177.2-74.2-5.3000109.9S48 A52 A53 A54S48-N50 PolarHBondContact OG-N 3.2Å; N50-A52 PolarHBondContact O-N 3.05Å; N50-A53 HydrophobicContact CB-CB 4.13Å; N50-A53 CarbonylContact O-C 3.47Å; N50-A53 WeakPolarHBondContact O-CA 3.49Å; N50-A53 WeakPolarHBondContact O-CB 3.45Å; N50-A53 PolarHBondContact O-N 2.94Å; N50-A54 WeakPolarHBondContact O-CB 3.36Å; N50-A54 PolarHBondContact O-N 3.12Å
51G65Low73.5Confident57 Ų5769 Ų6959%0.58846%0.459SS*.Hα-helixtrans-39.4-50.4-165.300000117.4K49 A54 A55K49-G51 PolarHBondContact O-N 2.66Å; K49-G51 VanDerWaalsContact O-N 3.14Å; G51-A54 PolarHBondContact O-N 3.43Å; G51-A55 WeakPolarHBondContact O-CB 3.33Å; G51-A55 PolarHBondContact O-N 3.08Å
52A68.5Low73.4Confident90 Ų9072 Ų7274%0.74447%0.465SS*.Hα-helixtrans-69.8-41.2177.700000113.2N50 A56N50-A52 PolarHBondContact O-N 3.05Å; A52-A56 WeakPolarHBondContact O-CB 3.29Å; A52-A56 PolarHBondContact O-N 3.45Å; A52-A56 VanDerWaalsContact O-N 3.07Å
53A65.5Low73.5Confident49 Ų4971.8 Ų71.841%0.40546%0.463SS..Hα-helixtrans-72-30.3175.800000112.2N50 A57N50-A53 HydrophobicContact CB-CB 4.13Å; N50-A53 CarbonylContact O-C 3.47Å; N50-A53 WeakPolarHBondContact O-CA 3.49Å; N50-A53 WeakPolarHBondContact O-CB 3.45Å; N50-A53 PolarHBondContact O-N 2.94Å; A53-A57 WeakPolarHBondContact O-CB 3.46Å; A53-A57 PolarHBondContact O-N 2.93Å
54A64.1Low73.7Confident30 Ų3071.8 Ų71.825%0.24846%0.463CS..Hα-helixtrans-68.2-48.217600000110.5S48 N50 G51 A57 A58S48-A54 WeakPolarHBondContact O-CB 3.47Å; N50-A54 WeakPolarHBondContact O-CB 3.36Å; N50-A54 PolarHBondContact O-N 3.12Å; G51-A54 PolarHBondContact O-N 3.43Å; A54-A57 PolarHBondContact O-N 3.43Å; A54-A58 VanDerWaalsContact O-CB 3.29Å; A54-A58 WeakPolarHBondContact O-CB 3.44Å; A54-A58 PolarHBondContact O-N 3.06Å
55A59.9Low73.9Confident64 Ų6469 Ų6953%0.52945%0.448SS..Hα-helixtrans-63.8-43.8176.200000112.1G51 A58 A59G51-A55 WeakPolarHBondContact O-CB 3.33Å; G51-A55 PolarHBondContact O-N 3.08Å; A55-A58 PolarHBondContact O-N 3.37Å; A55-A59 WeakPolarHBondContact O-CB 3.22Å; A55-A59 PolarHBondContact O-N 3.1Å
56A58.6Low74.5Confident69 Ų6963.8 Ų63.857%0.5742%0.421SS*.Hα-helixtrans-64.8-39.7175.300000112.2A52 G60A52-A56 WeakPolarHBondContact O-CB 3.29Å; A52-A56 PolarHBondContact O-N 3.45Å; A52-A56 VanDerWaalsContact O-N 3.07Å; A56-G60 PolarHBondContact O-N 3.39Å
57A66.4Low75.5Confident50 Ų5057.4 Ų57.441%0.41339%0.388SS..Hα-helixtrans-65.3-42.317500000111.4A53 A54 G60 R61A53-A57 WeakPolarHBondContact O-CB 3.46Å; A53-A57 PolarHBondContact O-N 2.93Å; A54-A57 PolarHBondContact O-N 3.43Å; A57-G60 PolarHBondContact O-N 3.02Å; A57-R61 WeakPolarHBondContact O-CG 3.21Å; A57-R61 PolarHBondContact O-N 3.09Å
58A66.8Low76.9Confident24 Ų2454.8 Ų54.820%0.19837%0.371CS..Hα-helixtrans-61.9-48.1177.200000112.1A54 A55 G60 R61 E136A54-A58 VanDerWaalsContact O-CB 3.29Å; A54-A58 WeakPolarHBondContact O-CB 3.44Å; A54-A58 PolarHBondContact O-N 3.06Å; A55-A58 PolarHBondContact O-N 3.37Å; A58-G60 PolarHBondContact O-N 3.47Å; A58-G60 VanDerWaalsContact O-N 3.13Å; A58-R61 WeakPolarHBondContact O-CB 3.28Å; A58-R61 PolarHBondContact O-N 3.36Å; A58-E136 WeakPolarHBondContact CB-OE2 3.43Å
59A62.7Low78.4Confident95 Ų9552.1 Ų52.179%0.78535%0.352SS*.Hα-helixtrans-60.7-23.117700000113.6A55A55-A59 WeakPolarHBondContact O-CB 3.22Å; A55-A59 PolarHBondContact O-N 3.1Å
60G72Confident79.9Confident59 Ų5943 Ų4361%0.60831%0.312SS*.THydrogen-bonded Turntrans-96.43.4176.800000115.2A56 A57 A58 R62A56-G60 PolarHBondContact O-N 3.39Å; A57-G60 PolarHBondContact O-N 3.02Å; A58-G60 PolarHBondContact O-N 3.47Å; A58-G60 VanDerWaalsContact O-N 3.13Å; G60-R62 PolarHBondContact O-N 2.92Å
61R84.1Confident81Confident60 Ų6039.3 Ų39.323%0.22629%0.291CS..PPolyproline II helixtrans-69.8123.4-178.3-78.7168.875.5148.8-13110.2A57 A58 G132 R138A57-R61 WeakPolarHBondContact O-CG 3.21Å; A57-R61 PolarHBondContact O-N 3.09Å; A58-R61 WeakPolarHBondContact O-CB 3.28Å; A58-R61 PolarHBondContact O-N 3.36Å; R61-G132 PolarHBondContact NH2-O 3.26Å; R61-R138 VanDerWaalsContact CZ-NH1 3.28Å; R61-R138 VanDerWaalsContact NE-CD 3.28Å
62R91.8Very high82.4Confident103 Ų10337 Ų3739%0.38927%0.267SS..PPolyproline II helixtrans-73.1151.3174.4-68.7172.6-178.6163.52.4110.6G60 S87 H89 R138G60-R62 PolarHBondContact O-N 2.92Å; R62-S87 PolarHBondContact NH1-O 3.44Å; R62-S87 VanDerWaalsContact NH1-O 3.1Å; R62-H89 WeakPolarHBondContact CB-O 3.4Å; R62-H89 WeakPolarHBondContact CG-O 3.22Å; R62-R138 PolarHBondContact O-NE 3.15Å; R62-R138 PolarHBondContact O-NH2 3.35Å
63P94.7Very high83.5Confident34 Ų3434.1 Ų34.122%0.22124%0.241CC..PPolyproline II helixtrans-60.2156.2167.1-16.629.3000110.5F90 D91 E139P63-F90 HydrophobicContact CB-CD1 3.91Å; P63-F90 HydrophobicContact CB-CE1 4.14Å; P63-F90 HydrophobicContact CG-CD1 4.24Å; P63-F90 HydrophobicContact CG-CE1 4.21Å; P63-F90 CarbonylContact O-C 3.54Å; P63-F90 VanDerWaalsContact O-CA 3.28Å; P63-F90 WeakPolarHBondContact O-CA 3.28Å; P63-D91 PolarHBondContact O-N 3.31Å; P63-E139 HydrophobicContact CB-CB 4.16Å; P63-E139 HydrophobicContact CB-CG 4.22Å
64V96.7Very high84.8Confident0 Ų032.9 Ų32.90%023%0.227CC..EExtended strand (participates in β ladder)trans-95.6140.1-179178.80000109.1L43 D91 V93 L133 R138 E139 L140 H141L43-V64 HydrophobicContact CD1-CG1 4.48Å; L43-V64 HydrophobicContact CD2-CG2 4.32Å; V64-D91 VanDerWaalsContact CA-O 3.24Å; V64-D91 WeakPolarHBondContact CA-O 3.49Å; V64-D91 WeakPolarHBondContact CG1-O 3.49Å; V64-D91 HydrophobicContact CG2-CB 4.39Å; V64-V93 HydrophobicContact CG1-CG2 3.98Å; V64-L133 HydrophobicContact CG1-CD2 4.46Å; V64-L133 HydrophobicContact CG2-CD2 3.65Å; V64-R138 HydrophobicContact CG2-CB 4.41Å; V64-E139 PolarHBondContact N-O 3.03Å; V64-L140 HydrophobicContact CB-CB 4.38Å; V64-L140 HydrophobicContact CB-CD1 4.4Å; V64-L140 HydrophobicContact CB-CG 4.28Å; V64-L140 HydrophobicContact CG1-CD1 4.07Å; V64-L140 HydrophobicContact CG1-CG 4.25Å; V64-L140 CarbonylContact O-C 3.57Å; V64-L140 WeakPolarHBondContact O-CA 3.42Å; V64-H141 PolarHBondContact O-N 3.35Å
65V98.6Very high86.3Confident0 Ų031.5 Ų31.50%022%0.216CC..EExtended strand (participates in β ladder)trans-122.2123.5170.9174.50000109.1L67 F90 D91 L92 V93 H141 V143 L325V65-L67 HydrophobicContact CG1-CD2 3.65Å; V65-L67 HydrophobicContact CG1-CG 4.23Å; V65-F90 HydrophobicContact CB-CB 4.21Å; V65-F90 HydrophobicContact CB-CG 4.48Å; V65-F90 HydrophobicContact CG2-CB 3.6Å; V65-F90 HydrophobicContact CG2-CD1 3.58Å; V65-F90 HydrophobicContact CG2-CD2 3.89Å; V65-F90 HydrophobicContact CG2-CE1 4.2Å; V65-F90 HydrophobicContact CG2-CE2 4.48Å; V65-F90 HydrophobicContact CG2-CG 3.39Å; V65-D91 PolarHBondContact N-O 2.93Å; V65-L92 HydrophobicContact CB-CD2 3.82Å; V65-L92 HydrophobicContact CG1-CD2 4.43Å; V65-L92 WeakPolarHBondContact O-CA 3.41Å; V65-V93 PolarHBondContact O-N 2.98Å; V65-H141 WeakPolarHBondContact CA-O 3.37Å; V65-H141 HydrophobicContact CG2-CB 4.12Å; V65-V143 HydrophobicContact CG1-CG2 3.89Å; V65-L325 HydrophobicContact CG1-CD1 4.45Å; V65-L325 HydrophobicContact CG2-CD1 4.03Å
66V98.7Very high88.1Confident0 Ų028.5 Ų28.50%019%0.191CC..EExtended strand (participates in β ladder)trans-95.6117.5174.1-173.10000109.1V68 V93 P95 I119 L123 L140 H141 V143 L155V66-V68 HydrophobicContact CG1-CG2 4.03Å; V66-V93 CarbonylContact C-O 3.55Å; V66-V93 VanDerWaalsContact CA-O 3.23Å; V66-V93 WeakPolarHBondContact CA-O 3.38Å; V66-V93 HydrophobicContact CG2-CB 4.37Å; V66-P95 HydrophobicContact CG1-CG 4.06Å; V66-I119 HydrophobicContact CG1-CG2 4.39Å; V66-L123 HydrophobicContact CG2-CD1 3.92Å; V66-L123 HydrophobicContact CG2-CD2 4.08Å; V66-L140 HydrophobicContact CG2-CD1 3.84Å; V66-L140 HydrophobicContact CG2-CD2 3.88Å; V66-L140 HydrophobicContact CG2-CG 3.96Å; V66-H141 PolarHBondContact N-O 2.92Å; V66-V143 PolarHBondContact O-N 2.74Å; V66-L155 HydrophobicContact CG1-CD2 4.25Å
67L98.8Very high89.9Confident0 Ų026.8 Ų26.80%017%0.17CC..EExtended strand (participates in β ladder)trans-102.1107.6178.4-58.2179.9000110.3V65 W79 V83 L86 L92 V93 V94 P95 V143V65-L67 HydrophobicContact CG1-CD2 3.65Å; V65-L67 HydrophobicContact CG1-CG 4.23Å; L67-W79 HydrophobicContact CB-CD2 4.1Å; L67-W79 HydrophobicContact CB-CG 4.1Å; L67-W79 HydrophobicContact CB-CZ2 4.46Å; L67-W79 HydrophobicContact CD1-CB 4.11Å; L67-W79 HydrophobicContact CD1-CD2 4.23Å; L67-W79 HydrophobicContact CD1-CG 4.06Å; L67-V83 HydrophobicContact CD1-CG1 4.21Å; L67-L86 HydrophobicContact CD1-CD1 4.12Å; L67-L86 HydrophobicContact CD2-CD1 3.97Å; L67-L92 HydrophobicContact CD1-CD1 4.46Å; L67-V93 PolarHBondContact N-O 2.72Å; L67-V94 HydrophobicContact CB-CG1 4.2Å; L67-V94 HydrophobicContact CB-CG2 4.11Å; L67-V94 HydrophobicContact CD1-CG2 4.07Å; L67-V94 HydrophobicContact CG-CG2 4.39Å; L67-P95 WeakPolarHBondContact O-CD 3.27Å; L67-V143 CarbonylContact C-O 3.6Å; L67-V143 WeakPolarHBondContact CA-O 3.44Å; L67-V143 HydrophobicContact CD2-CB 3.74Å; L67-V143 HydrophobicContact CD2-CG1 4.18Å; L67-V143 HydrophobicContact CD2-CG2 4.05Å
68V98.8Very high91.3Very high0 Ų024.9 Ų24.90%015%0.152CC..EExtended strand (participates in β ladder)trans-101.3113.9-177.1-168.10000109.7V66 W79 L97 I119 I142 V143 G144 T145 V151V66-V68 HydrophobicContact CG1-CG2 4.03Å; V68-W79 WeakPolarHBondContact O-CZ2 3.29Å; V68-L97 HydrophobicContact CG1-CD1 4.48Å; V68-L97 HydrophobicContact CG1-CD2 3.88Å; V68-L97 HydrophobicContact CG1-CG 4.37Å; V68-I119 HydrophobicContact CG1-CD1 4.26Å; V68-I119 HydrophobicContact CG2-CD1 4.46Å; V68-I142 HydrophobicContact CG2-CG2 4.41Å; V68-V143 PolarHBondContact N-O 2.88Å; V68-G144 WeakPolarHBondContact O-CA 3.43Å; V68-T145 PolarHBondContact O-N 3.02Å; V68-T145 VanDerWaalsContact O-N 3.14Å; V68-V151 HydrophobicContact CG1-CB 4.05Å; V68-V151 HydrophobicContact CG1-CG1 3.97Å
69H98.3Very high92.8Very high0 Ų023.7 Ų23.70%014%0.143CC..  trans-77.8161.1-177.274.880.6000112.4P75 Q78 P95 T96 L97 F100 G148H69-P75 HydrophobicContact CB-CB 4.1Å; H69-Q78 HydrophobicContact CB-CB 4.49Å; H69-P95 PolarHBondContact CD2-O 3.25Å; H69-T96 WeakPolarHBondContact NE2-CA 3.39Å; H69-L97 PolarHBondContact NE2-N 3.17Å; H69-L97 WeakPolarHBondContact O-CD1 3.5Å; H69-F100 AromaticContact CE1-CD1 3.99Å; H69-F100 AromaticContact CE1-CG 3.66Å; H69-G148 VanDerWaalsContact O-CA 3.26Å; H69-G148 WeakPolarHBondContact O-CA 3.24Å
70G96.5Very high94.5Very high0 Ų019.4 Ų19.40%011%0.108CC..  trans-96-169174.400000113.1G72 Q78 T145G70-G72 PolarHBondContact O-N 2.88Å; G70-Q78 PolarHBondContact O-NE2 3.23Å; G70-T145 WeakPolarHBondContact CA-O 3.48Å; G70-T145 PolarHBondContact N-O 2.84Å
71F94.9Very high95.7Very high41 Ų4118.5 Ų18.518%0.189%0.094CC..SBendtrans-61.4134.7170.9-83.9-96.1000110.9F100 Y147 K246 L249 I250F71-F100 HydrophobicContact CD1-CE1 4.03Å; F71-F100 AromaticContact CD1-CZ 3.61Å; F71-F100 HydrophobicContact CD1-CZ 3.61Å; F71-F100 HydrophobicContact CD2-CZ 4.42Å; F71-F100 AromaticContact CE1-CZ 3.74Å; F71-F100 HydrophobicContact CE1-CZ 3.74Å; F71-F100 HydrophobicContact CG-CE1 4.39Å; F71-F100 AromaticContact CG-CZ 3.96Å; F71-F100 HydrophobicContact CG-CZ 3.96Å; F71-F100 HydrophobicContact CZ-CZ 4.19Å; F71-Y147 HydrophobicContact CD2-CD1 4.04Å; F71-Y147 HydrophobicContact CD2-CD2 4.36Å; F71-Y147 AromaticContact CD2-CG 3.73Å; F71-Y147 HydrophobicContact CD2-CG 3.73Å; F71-Y147 AromaticContact CE2-CD1 3.67Å; F71-Y147 HydrophobicContact CE2-CD1 3.67Å; F71-Y147 AromaticContact CE2-CD2 3.72Å; F71-Y147 HydrophobicContact CE2-CD2 3.72Å; F71-Y147 HydrophobicContact CE2-CE1 4.16Å; F71-Y147 HydrophobicContact CE2-CE2 4.19Å; F71-Y147 AromaticContact CE2-CG 3.43Å; F71-Y147 HydrophobicContact CE2-CG 3.43Å; F71-Y147 VanDerWaalsContact CE2-CG 3.43Å; F71-K246 HydrophobicContact CE1-CB 3.96Å; F71-K246 HydrophobicContact CE1-CG 4.22Å; F71-L249 HydrophobicContact CZ-CB 3.79Å; F71-L249 HydrophobicContact CZ-CD1 4.14Å; F71-I250 HydrophobicContact CD1-CD1 4.33Å; F71-I250 HydrophobicContact CD1-CG1 4.42Å; F71-I250 HydrophobicContact CE1-CD1 3.82Å; F71-I250 HydrophobicContact CE1-CG1 3.66Å; F71-I250 HydrophobicContact CE2-CG1 4.01Å; F71-I250 HydrophobicContact CZ-CD1 4.14Å; F71-I250 HydrophobicContact CZ-CG1 3.44Å; F71-I250 VanDerWaalsContact CZ-CG1 3.44Å
72G93Very high96.4Very high8 Ų815.6 Ų15.68%0.0828%0.083CC..SBendtrans142.5-151.6176.700000112.8G70G70-G72 PolarHBondContact O-N 2.88Å
73P92.6Very high96.7Very high31 Ų3110.8 Ų10.820%0.2017%0.065CC..SBendtrans-63.1170.4176-22.435.1000113.5W77 Q78 Y238P73-W77 HydrophobicContact CB-CB 3.82Å; P73-W77 HydrophobicContact CB-CD2 4.15Å; P73-W77 HydrophobicContact CB-CG 3.8Å; P73-Q78 PolarHBondContact O-NE2 2.8Å; P73-Y238 HydrophobicContact CB-CD1 4.46Å; P73-Y238 HydrophobicContact CB-CD2 3.75Å; P73-Y238 HydrophobicContact CB-CE2 3.87Å; P73-Y238 HydrophobicContact CB-CG 4.06Å; P73-Y238 HydrophobicContact CG-CD2 4.23Å
74D92.7Very high96.9Very high23 Ų2310.5 Ų10.512%0.1237%0.069CC..  trans-45.5150.2176.3-76-44.6000112.6T76 W77 Y238D74-T76 PolarHBondContact O-N 3.07Å; D74-W77 WeakPolarHBondContact O-CB 3.34Å; D74-W77 PolarHBondContact O-N 2.8Å; D74-Y238 HydrophobicContact CB-CE1 4.01Å; D74-Y238 WeakPolarHBondContact OD2-CE1 3.24Å; D74-Y238 VanDerWaalsContact OD2-CZ 3.3Å; D74-Y238 PolarHBondContact OD2-OH 3.25Å
75P96.6Very high96.9Very high0 Ų011.8 Ų11.80%08%0.077CC..Hα-helixtrans-54.2-24.7176.817.8-30.6000113.8H69 W77 Q78 W79 V94 T96H69-P75 HydrophobicContact CB-CB 4.1Å; P75-W77 VanDerWaalsContact C-N 3.27Å; P75-W77 PolarHBondContact O-N 3.37Å; P75-Q78 PolarHBondContact O-N 2.8Å; P75-W79 PolarHBondContact O-N 2.91Å; P75-V94 HydrophobicContact CB-CG1 3.65Å; P75-V94 HydrophobicContact CG-CG1 4.44Å; P75-T96 HydrophobicContact CG-CG2 4.35Å
76T96.8Very high96.9Very high2 Ų211.8 Ų11.81%0.0128%0.077CC..Hα-helixtrans-64.2-32176.263.10000113.1F12 R13 F16 W38 D74 G80F12-T76 WeakPolarHBondContact CB-O 3.43Å; F12-T76 WeakPolarHBondContact CD1-O 3.45Å; R13-T76 HydrophobicContact CG-CG2 4.28Å; F16-T76 HydrophobicContact CD1-CG2 4.06Å; F16-T76 HydrophobicContact CD2-CG2 4.23Å; F16-T76 HydrophobicContact CE1-CG2 4.02Å; F16-T76 HydrophobicContact CE2-CG2 4.23Å; F16-T76 HydrophobicContact CG-CG2 4.17Å; F16-T76 HydrophobicContact CZ-CG2 4.12Å; W38-T76 HydrophobicContact CZ2-CG2 3.91Å; D74-T76 PolarHBondContact O-N 3.07Å; T76-G80 WeakPolarHBondContact O-CA 3.3Å; T76-G80 PolarHBondContact O-N 2.65Å
77W95.6Very high96.9Very high33 Ų3312.4 Ų12.413%0.1258%0.081CC..Hα-helixtrans-76.3-37.8176-72.469000111.7V5 I8 S9 F12 P73 D74 P75 L234 Y238 Q311V5-W77 HydrophobicContact CG1-CH2 4.32Å; V5-W77 HydrophobicContact CG1-CZ2 3.83Å; I8-W77 HydrophobicContact CB-CH2 3.65Å; I8-W77 HydrophobicContact CB-CZ2 3.78Å; I8-W77 HydrophobicContact CD1-CH2 4.05Å; I8-W77 HydrophobicContact CG1-CH2 4.47Å; I8-W77 HydrophobicContact CG2-CE3 4.35Å; I8-W77 HydrophobicContact CG2-CH2 3.21Å; I8-W77 HydrophobicContact CG2-CZ2 3.51Å; I8-W77 HydrophobicContact CG2-CZ3 3.68Å; S9-W77 PolarHBondContact OG-NE1 3.25Å; F12-W77 HydrophobicContact CD2-CB 4.33Å; F12-W77 AromaticContact CD2-CD1 3.91Å; F12-W77 AromaticContact CD2-CD2 3.62Å; F12-W77 HydrophobicContact CD2-CD2 3.62Å; F12-W77 AromaticContact CD2-CE2 3.78Å; F12-W77 HydrophobicContact CD2-CE3 4.15Å; F12-W77 AromaticContact CD2-CG 3.7Å; F12-W77 HydrophobicContact CD2-CG 3.7Å; F12-W77 HydrophobicContact CD2-CZ2 4.41Å; F12-W77 AromaticContact CD2-NE1 3.95Å; F12-W77 HydrophobicContact CE2-CB 4.3Å; F12-W77 AromaticContact CE2-CD2 3.42Å; F12-W77 HydrophobicContact CE2-CD2 3.42Å; F12-W77 VanDerWaalsContact CE2-CD2 3.42Å; F12-W77 AromaticContact CE2-CE2 3.91Å; F12-W77 AromaticContact CE2-CE3 3.46Å; F12-W77 HydrophobicContact CE2-CE3 3.46Å; F12-W77 VanDerWaalsContact CE2-CE3 3.46Å; F12-W77 AromaticContact CE2-CG 3.83Å; F12-W77 HydrophobicContact CE2-CG 3.83Å; F12-W77 HydrophobicContact CE2-CH2 4.39Å; F12-W77 HydrophobicContact CE2-CZ2 4.37Å; F12-W77 AromaticContact CE2-CZ3 3.96Å; F12-W77 HydrophobicContact CE2-CZ3 3.96Å; F12-W77 HydrophobicContact CZ-CD2 4.49Å; F12-W77 HydrophobicContact CZ-CE3 4.3Å; P73-W77 HydrophobicContact CB-CB 3.82Å; P73-W77 HydrophobicContact CB-CD2 4.15Å; P73-W77 HydrophobicContact CB-CG 3.8Å; D74-W77 WeakPolarHBondContact O-CB 3.34Å; D74-W77 PolarHBondContact O-N 2.8Å; P75-W77 VanDerWaalsContact C-N 3.27Å; P75-W77 PolarHBondContact O-N 3.37Å; W77-L234 HydrophobicContact CH2-CD2 3.98Å; W77-L234 HydrophobicContact CZ2-CD2 4.42Å; W77-L234 HydrophobicContact CZ3-CD2 4.18Å; W77-Y238 HydrophobicContact CZ2-CE2 4.39Å; W77-Y238 AromaticContact NE1-CE2 4Å; W77-Y238 AromaticContact NE1-CZ 3.86Å; W77-Y238 PolarHBondContact NE1-OH 3.49Å; W77-Y238 VanDerWaalsContact NE1-OH 3.13Å; W77-Q311 PolarHBondContact O-NE2 3.28Å
78Q97.4Very high96.7Very high9 Ų919.1 Ų19.14%0.04211%0.107CC..Hα-helixtrans-75-45.1-176.8-59.1-170.939.600110.9H69 G70 P73 P75 H310H69-Q78 HydrophobicContact CB-CB 4.49Å; G70-Q78 PolarHBondContact O-NE2 3.23Å; P73-Q78 PolarHBondContact O-NE2 2.8Å; P75-Q78 PolarHBondContact O-N 2.8Å; Q78-H310 PolarHBondContact O-CD2 3.23Å; Q78-H310 PolarHBondContact O-NE2 3.22Å
79W98.3Very high96.6Very high0 Ų022.7 Ų22.70%012%0.123CC..SBendtrans-101.87.8-174.7-60.8119.6000115.1F16 L67 V68 P75 A81 Q82 V83 V143 T145 F317F16-W79 HydrophobicContact CE2-CB 4.48Å; F16-W79 HydrophobicContact CZ-CB 4.09Å; L67-W79 HydrophobicContact CB-CD2 4.1Å; L67-W79 HydrophobicContact CB-CG 4.1Å; L67-W79 HydrophobicContact CB-CZ2 4.46Å; L67-W79 HydrophobicContact CD1-CB 4.11Å; L67-W79 HydrophobicContact CD1-CD2 4.23Å; L67-W79 HydrophobicContact CD1-CG 4.06Å; V68-W79 WeakPolarHBondContact O-CZ2 3.29Å; P75-W79 PolarHBondContact O-N 2.91Å; W79-A81 PolarHBondContact O-N 2.75Å; W79-A81 VanDerWaalsContact O-N 3.13Å; W79-Q82 HydrophobicContact CE3-CB 4.01Å; W79-Q82 HydrophobicContact CE3-CG 3.77Å; W79-Q82 HydrophobicContact CZ3-CG 4.07Å; W79-Q82 PolarHBondContact O-N 3.22Å; W79-V83 HydrophobicContact CB-CG1 4.32Å; W79-V83 WeakPolarHBondContact O-CG1 3.27Å; W79-V83 PolarHBondContact O-N 3.09Å; W79-V83 VanDerWaalsContact O-N 3.08Å; W79-V143 HydrophobicContact CH2-CG1 3.89Å; W79-V143 HydrophobicContact CZ3-CG1 4.42Å; W79-T145 HydrophobicContact CH2-CG2 3.96Å; W79-T145 HydrophobicContact CZ2-CG2 3.62Å; W79-F317 HydrophobicContact CZ3-CE1 4.26Å; W79-F317 HydrophobicContact CZ3-CZ 4.29Å
80G97.4Very high96.6Very high5 Ų522.8 Ų22.85%0.05212%0.124CC..THydrogen-bonded Turntrans-54.2-35.8-175.200000114.2T76T76-G80 WeakPolarHBondContact O-CA 3.3Å; T76-G80 PolarHBondContact O-N 2.65Å
81A97.3Very high96.6Very high39 Ų3923.3 Ų23.332%0.32213%0.126SC..THydrogen-bonded Turntrans-85.1-18.1-179.700000113.9W79 P85 P314 N318W79-A81 PolarHBondContact O-N 2.75Å; W79-A81 VanDerWaalsContact O-N 3.13Å; A81-P85 WeakPolarHBondContact O-CD 3.33Å; A81-P314 HydrophobicContact CB-CB 3.5Å; A81-P314 VanDerWaalsContact CB-CB 3.5Å; A81-P314 HydrophobicContact CB-CG 4.24Å; A81-N318 PolarHBondContact O-ND2 3.49Å
82Q98.5Very high96.8Very high0 Ų021.3 Ų21.30%012%0.118CC..THydrogen-bonded Turntrans-91-36.4-177.2-76.959.243.800111.8W79 G84 P85 L86 H310 F317 N318W79-Q82 HydrophobicContact CE3-CB 4.01Å; W79-Q82 HydrophobicContact CE3-CG 3.77Å; W79-Q82 HydrophobicContact CZ3-CG 4.07Å; W79-Q82 PolarHBondContact O-N 3.22Å; Q82-G84 VanDerWaalsContact C-N 3.3Å; Q82-G84 PolarHBondContact O-N 3.05Å; Q82-P85 WeakPolarHBondContact O-CD 3.25Å; Q82-L86 HydrophobicContact CB-CD1 3.96Å; Q82-L86 WeakPolarHBondContact O-CB 3.33Å; Q82-L86 VanDerWaalsContact O-CG 3.29Å; Q82-L86 WeakPolarHBondContact O-CG 3.28Å; Q82-L86 PolarHBondContact O-N 3.14Å; Q82-H310 PolarHBondContact NE2-O 3.23Å; Q82-F317 HydrophobicContact CG-CD1 3.95Å; Q82-F317 HydrophobicContact CG-CE1 3.76Å; Q82-N318 VanDerWaalsContact CG-OD1 3.23Å; Q82-N318 WeakPolarHBondContact CG-OD1 3.49Å; Q82-N318 PolarHBondContact NE2-OD1 3.43Å
83V98.4Very high97Very high1 Ų121 Ų211%0.00611%0.114CC..Hα-helixtrans-60-37.5-172.7-69.70000113.5F16 A19 L21 L67 W79 S87 L92F16-V83 HydrophobicContact CD1-CG1 4.47Å; F16-V83 HydrophobicContact CD2-CB 4.4Å; F16-V83 HydrophobicContact CD2-CG1 4.01Å; F16-V83 HydrophobicContact CD2-CG2 3.67Å; F16-V83 HydrophobicContact CE1-CG1 4.1Å; F16-V83 HydrophobicContact CE2-CB 4.31Å; F16-V83 HydrophobicContact CE2-CG1 3.54Å; F16-V83 HydrophobicContact CE2-CG2 3.8Å; F16-V83 HydrophobicContact CG-CG1 4.43Å; F16-V83 HydrophobicContact CG-CG2 4.41Å; F16-V83 HydrophobicContact CZ-CG1 3.6Å; A19-V83 HydrophobicContact CB-CB 4.16Å; A19-V83 HydrophobicContact CB-CG2 4.19Å; L21-V83 HydrophobicContact CD2-CG1 4.18Å; L67-V83 HydrophobicContact CD1-CG1 4.21Å; W79-V83 HydrophobicContact CB-CG1 4.32Å; W79-V83 WeakPolarHBondContact O-CG1 3.27Å; W79-V83 PolarHBondContact O-N 3.09Å; W79-V83 VanDerWaalsContact O-N 3.08Å; V83-S87 WeakPolarHBondContact O-CB 3.48Å; V83-S87 PolarHBondContact O-N 2.97Å; V83-S87 PolarHBondContact O-OG 3.07Å; V83-S87 VanDerWaalsContact O-OG 3.14Å; V83-L92 HydrophobicContact CB-CD1 4Å; V83-L92 HydrophobicContact CG1-CD1 4.02Å
84G97.9Very high97.3Very high29 Ų2919.5 Ų19.530%0.29910%0.104SC..Hα-helixtrans-65.9-52.4-179.200000112.8Q82 S87Q82-G84 VanDerWaalsContact C-N 3.3Å; Q82-G84 PolarHBondContact O-N 3.05Å; G84-S87 PolarHBondContact O-OG 2.94Å
85P98.1Very high97.6Very high27 Ų2718.4 Ų18.418%0.17510%0.098CC..Hα-helixtrans-61.4-42.5174.2-30.139.6000115.1A81 Q82 L322A81-P85 WeakPolarHBondContact O-CD 3.33Å; Q82-P85 WeakPolarHBondContact O-CD 3.25Å; P85-L322 HydrophobicContact CB-CD1 4.14Å
86L98.4Very high97.6Very high0 Ų018.7 Ų18.70%010%0.1CC..Hα-helixtrans-71.7-39.7-177-66.7171000112.7L67 Q82 R88 H89 F90 L92 L321 L322 L325L67-L86 HydrophobicContact CD1-CD1 4.12Å; L67-L86 HydrophobicContact CD2-CD1 3.97Å; Q82-L86 HydrophobicContact CB-CD1 3.96Å; Q82-L86 WeakPolarHBondContact O-CB 3.33Å; Q82-L86 VanDerWaalsContact O-CG 3.29Å; Q82-L86 WeakPolarHBondContact O-CG 3.28Å; Q82-L86 PolarHBondContact O-N 3.14Å; L86-R88 PolarHBondContact O-N 3.22Å; L86-H89 PolarHBondContact O-N 2.81Å; L86-F90 HydrophobicContact CB-CD2 4.44Å; L86-F90 HydrophobicContact CD2-CD2 4.15Å; L86-F90 HydrophobicContact CD2-CE2 4.28Å; L86-F90 WeakPolarHBondContact O-CD2 3.24Å; L86-F90 PolarHBondContact O-N 3.27Å; L86-L92 HydrophobicContact CB-CD1 4Å; L86-L92 HydrophobicContact CB-CD2 3.8Å; L86-L321 HydrophobicContact CD1-CD2 3.91Å; L86-L321 HydrophobicContact CD2-CD2 3.91Å; L86-L321 HydrophobicContact CD2-CG 4.18Å; L86-L321 HydrophobicContact CG-CD2 4.37Å; L86-L322 HydrophobicContact CD2-CD2 3.85Å; L86-L322 HydrophobicContact CD2-CG 4.37Å; L86-L325 HydrophobicContact CD2-CD1 4.19Å
87S97.6Very high97.7Very high13 Ų1318.6 Ų18.69%0.09110%0.1CC..Hα-helixtrans-66.9-13-174.772.30000114.6A19 R62 V83 G84 H89 F90A19-S87 WeakPolarHBondContact CB-OG 3.42Å; A19-S87 WeakPolarHBondContact O-CB 3.32Å; A19-S87 PolarHBondContact O-OG 3.41Å; R62-S87 PolarHBondContact NH1-O 3.44Å; R62-S87 VanDerWaalsContact NH1-O 3.1Å; V83-S87 WeakPolarHBondContact O-CB 3.48Å; V83-S87 PolarHBondContact O-N 2.97Å; V83-S87 PolarHBondContact O-OG 3.07Å; V83-S87 VanDerWaalsContact O-OG 3.14Å; G84-S87 PolarHBondContact O-OG 2.94Å; S87-H89 PolarHBondContact O-N 3.48Å; S87-F90 WeakPolarHBondContact CA-O 3.38Å
88R96.3Very high97.8Very high141 Ų14117 Ų1753%0.5329%0.094SC..THydrogen-bonded Turntrans-68.2-26.5171.4-65.8-168.2-62.1-98.34112.9L86L86-R88 PolarHBondContact O-N 3.22Å
89H96.4Very high97.7Very high75 Ų7517 Ų1735%0.3479%0.093SC..THydrogen-bonded Turntrans-119.4-22.8-172.3-56.7-75.2000112.9R62 L86 S87 L326R62-H89 WeakPolarHBondContact CB-O 3.4Å; R62-H89 WeakPolarHBondContact CG-O 3.22Å; L86-H89 PolarHBondContact O-N 2.81Å; S87-H89 PolarHBondContact O-N 3.48Å; H89-L326 HydrophobicContact CB-CD2 3.84Å
90F97.6Very high97.6Very high2 Ų217.2 Ų17.21%0.00910%0.095CC..SBendtrans-131.1150.4-172.2-55.9-74.8000112.1P63 V65 L86 S87 L92 H141 L322 L325 L326P63-F90 HydrophobicContact CB-CD1 3.91Å; P63-F90 HydrophobicContact CB-CE1 4.14Å; P63-F90 HydrophobicContact CG-CD1 4.24Å; P63-F90 HydrophobicContact CG-CE1 4.21Å; P63-F90 CarbonylContact O-C 3.54Å; P63-F90 VanDerWaalsContact O-CA 3.28Å; P63-F90 WeakPolarHBondContact O-CA 3.28Å; V65-F90 HydrophobicContact CB-CB 4.21Å; V65-F90 HydrophobicContact CB-CG 4.48Å; V65-F90 HydrophobicContact CG2-CB 3.6Å; V65-F90 HydrophobicContact CG2-CD1 3.58Å; V65-F90 HydrophobicContact CG2-CD2 3.89Å; V65-F90 HydrophobicContact CG2-CE1 4.2Å; V65-F90 HydrophobicContact CG2-CE2 4.48Å; V65-F90 HydrophobicContact CG2-CG 3.39Å; L86-F90 HydrophobicContact CB-CD2 4.44Å; L86-F90 HydrophobicContact CD2-CD2 4.15Å; L86-F90 HydrophobicContact CD2-CE2 4.28Å; L86-F90 WeakPolarHBondContact O-CD2 3.24Å; L86-F90 PolarHBondContact O-N 3.27Å; S87-F90 WeakPolarHBondContact CA-O 3.38Å; F90-L92 HydrophobicContact CB-CD2 3.82Å; F90-H141 AromaticContact CE1-CD2 3.92Å; F90-L322 HydrophobicContact CE2-CD2 4.13Å; F90-L325 HydrophobicContact CE1-CB 4.35Å; F90-L325 HydrophobicContact CE2-CB 4.07Å; F90-L325 HydrophobicContact CE2-CD1 4.34Å; F90-L325 HydrophobicContact CZ-CB 3.58Å; F90-L325 HydrophobicContact CZ-CD1 4.46Å; F90-L326 HydrophobicContact CE2-CD2 4.16Å; F90-L326 HydrophobicContact CZ-CD2 3.79Å; F90-L326 HydrophobicContact CZ-CG 4.22Å
91D96.6Very high97.2Very high10 Ų1018.3 Ų18.35%0.05311%0.106CC..EExtended strand (participates in β ladder)trans-84.7113.4164.9-74.5-18.4000108.5H40 S42 L43 P63 V64 V65 R138H40-D91 HydrophobicContact CB-CB 4.24Å; H40-D91 IonicContact CE1-OD1 2.79Å; H40-D91 IonicContact CG-OD1 3.81Å; H40-D91 IonicContact ND1-OD1 3.76Å; H40-D91 PolarHBondContact ND1-OD1 3.08Å; S42-D91 PolarHBondContact OG-OD1 2.71Å; S42-D91 PolarHBondContact OG-OD2 3.04Å; L43-D91 HydrophobicContact CD1-CB 4.01Å; L43-D91 HydrophobicContact CD2-CB 4.02Å; L43-D91 HydrophobicContact CG-CB 4Å; P63-D91 PolarHBondContact O-N 3.31Å; V64-D91 VanDerWaalsContact CA-O 3.24Å; V64-D91 WeakPolarHBondContact CA-O 3.49Å; V64-D91 WeakPolarHBondContact CG1-O 3.49Å; V64-D91 HydrophobicContact CG2-CB 4.39Å; V65-D91 PolarHBondContact N-O 2.93Å; D91-R138 IonicContact OD2-CZ 2.78Å; D91-R138 IonicContact OD2-NH2 3.67Å; D91-R138 PolarHBondContact OD2-NH2 2.98Å
92L98.5Very high97Very high0 Ų018.8 Ų18.80%011%0.11CC..EExtended strand (participates in β ladder)trans-88141-173-51.1-172.5000112.5L21 A39 H40 V65 L67 V83 L86 F90L21-L92 HydrophobicContact CD1-CB 4.22Å; L21-L92 HydrophobicContact CD1-CD1 4.19Å; L21-L92 HydrophobicContact CD1-CG 4.46Å; L21-L92 HydrophobicContact CD2-CB 4.14Å; L21-L92 HydrophobicContact CG-CB 4.38Å; A39-L92 CarbonylContact C-O 3.57Å; A39-L92 WeakPolarHBondContact CA-O 3.01Å; H40-L92 PolarHBondContact N-O 2.86Å; V65-L92 HydrophobicContact CB-CD2 3.82Å; V65-L92 HydrophobicContact CG1-CD2 4.43Å; V65-L92 WeakPolarHBondContact O-CA 3.41Å; L67-L92 HydrophobicContact CD1-CD1 4.46Å; V83-L92 HydrophobicContact CB-CD1 4Å; V83-L92 HydrophobicContact CG1-CD1 4.02Å; L86-L92 HydrophobicContact CB-CD1 4Å; L86-L92 HydrophobicContact CB-CD2 3.8Å; F90-L92 HydrophobicContact CB-CD2 3.82Å
93V98.5Very high96.9Very high0 Ų018.8 Ų18.80%011%0.11CC..EExtended strand (participates in β ladder)trans-122.5127.5163.3-175.10000107.9W38 L43 V64 V65 V66 L67 L123 L130W38-V93 CarbonylContact O-C 3.53Å; W38-V93 WeakPolarHBondContact O-CA 3.49Å; L43-V93 HydrophobicContact CD1-CG2 3.32Å; V64-V93 HydrophobicContact CG1-CG2 3.98Å; V65-V93 PolarHBondContact O-N 2.98Å; V66-V93 CarbonylContact C-O 3.55Å; V66-V93 VanDerWaalsContact CA-O 3.23Å; V66-V93 WeakPolarHBondContact CA-O 3.38Å; V66-V93 HydrophobicContact CG2-CB 4.37Å; L67-V93 PolarHBondContact N-O 2.72Å; V93-L123 HydrophobicContact CB-CD2 4.49Å; V93-L123 HydrophobicContact CG1-CD2 4.2Å; V93-L123 HydrophobicContact CG2-CD2 4.33Å; V93-L130 HydrophobicContact CG1-CD1 4.23Å; V93-L130 HydrophobicContact CG2-CD1 4.08Å
94V98.6Very high96.8Very high0 Ų021.4 Ų21.40%013%0.126CC..EExtended strand (participates in β ladder)trans-126.485.6-178.9-167.80000107.5F16 L21 F37 W38 L67 P75F16-V94 HydrophobicContact CE1-CB 4.14Å; F16-V94 HydrophobicContact CE1-CG1 4.11Å; F16-V94 HydrophobicContact CE1-CG2 3.99Å; F16-V94 HydrophobicContact CZ-CG1 4.36Å; L21-V94 HydrophobicContact CD2-CG2 3.78Å; F37-V94 CarbonylContact C-O 3.56Å; F37-V94 WeakPolarHBondContact CA-O 3.47Å; W38-V94 HydrophobicContact CB-CB 4.19Å; W38-V94 PolarHBondContact N-O 2.88Å; W38-V94 PolarHBondContact O-N 3.34Å; L67-V94 HydrophobicContact CB-CG1 4.2Å; L67-V94 HydrophobicContact CB-CG2 4.11Å; L67-V94 HydrophobicContact CD1-CG2 4.07Å; L67-V94 HydrophobicContact CG-CG2 4.39Å; P75-V94 HydrophobicContact CB-CG1 3.65Å; P75-V94 HydrophobicContact CG-CG1 4.44Å
95P98.4Very high96.8Very high0 Ų020.9 Ų20.90%012%0.117CC..EExtended strand (participates in β ladder)trans-66.4149.1175.629.4-34.4000110.4V66 L67 H69 I119 L122V66-P95 HydrophobicContact CG1-CG 4.06Å; L67-P95 WeakPolarHBondContact O-CD 3.27Å; H69-P95 PolarHBondContact CD2-O 3.25Å; P95-I119 HydrophobicContact CB-CD1 4.23Å; P95-I119 HydrophobicContact CB-CG1 4Å; P95-I119 HydrophobicContact CB-CG2 4.49Å; P95-I119 HydrophobicContact CG-CD1 3.86Å; P95-I119 HydrophobicContact CG-CG1 4.06Å; P95-I119 HydrophobicContact CG-CG2 4.11Å; P95-L122 HydrophobicContact CB-CD2 4.4Å
96T98Very high96.5Very high7 Ų724.3 Ų24.34%0.04314%0.142CC..PPolyproline II helixtrans-99.1119.5168.2-49.30000107.4L35 H36 H69 P75 F100 S103L35-T96 WeakPolarHBondContact CD2-O 3.44Å; H36-T96 WeakPolarHBondContact O-CA 3.37Å; H36-T96 VanDerWaalsContact O-CB 3.28Å; H36-T96 WeakPolarHBondContact O-CB 3.49Å; H36-T96 PolarHBondContact O-N 2.96Å; H36-T96 PolarHBondContact O-OG1 3.14Å; H69-T96 WeakPolarHBondContact NE2-CA 3.39Å; P75-T96 HydrophobicContact CG-CG2 4.35Å; T96-F100 HydrophobicContact CG2-CB 3.95Å; T96-F100 WeakPolarHBondContact CG2-O 3.44Å; T96-S103 VanDerWaalsContact O-CB 3.3Å; T96-S103 WeakPolarHBondContact O-CB 3.41Å; T96-S103 PolarHBondContact O-OG 3.11Å
97L98.4Very high96.3Very high0 Ų024.8 Ų24.80%015%0.145CC..PPolyproline II helixtrans-58.7151.5-178.9-67.4178.5000111.7V68 H69 F99 F100 S103 Q115 I119 Y147 V151V68-L97 HydrophobicContact CG1-CD1 4.48Å; V68-L97 HydrophobicContact CG1-CD2 3.88Å; V68-L97 HydrophobicContact CG1-CG 4.37Å; H69-L97 PolarHBondContact NE2-N 3.17Å; H69-L97 WeakPolarHBondContact O-CD1 3.5Å; L97-F99 PolarHBondContact O-N 3.48Å; L97-F100 HydrophobicContact CB-CD2 3.55Å; L97-F100 HydrophobicContact CB-CE2 4Å; L97-F100 HydrophobicContact CB-CG 4.41Å; L97-F100 HydrophobicContact CD1-CE2 4.46Å; L97-F100 WeakPolarHBondContact O-CB 3.27Å; L97-F100 PolarHBondContact O-N 3.05Å; L97-S103 WeakPolarHBondContact O-CB 3.48Å; L97-Q115 HydrophobicContact CD2-CB 4.18Å; L97-I119 HydrophobicContact CD2-CD1 3.92Å; L97-Y147 HydrophobicContact CD1-CD1 3.76Å; L97-Y147 HydrophobicContact CD1-CE1 3.96Å; L97-V151 HydrophobicContact CD2-CG1 4.04Å; L97-V151 HydrophobicContact CD2-CG2 4.21Å
98L97.6Very high96.1Very high0 Ų028.1 Ų28.10%017%0.174CC..THydrogen-bonded Turntrans-58140177.7-59.7168.7000110.5T33 L35 F100 T105 F114 Q115 A118T33-L98 HydrophobicContact CG2-CD1 4.09Å; T33-L98 HydrophobicContact CG2-CD2 3.63Å; T33-L98 HydrophobicContact CG2-CG 4.47Å; L35-L98 HydrophobicContact CD2-CD2 3.67Å; L35-L98 HydrophobicContact CD2-CG 4.04Å; L98-F100 VanDerWaalsContact O-CD2 3.29Å; L98-F100 WeakPolarHBondContact O-CD2 3.42Å; L98-F100 PolarHBondContact O-N 2.97Å; L98-T105 HydrophobicContact CD1-CG2 4.04Å; L98-F114 HydrophobicContact CD1-CD1 3.85Å; L98-F114 HydrophobicContact CD1-CE1 3.52Å; L98-Q115 PolarHBondContact O-NE2 3.24Å; L98-A118 HydrophobicContact CD1-CB 4.35Å
99F95.7Very high96Very high7 Ų724.2 Ų24.23%0.03117%0.167CC..THydrogen-bonded Turntrans71.34.3-174.1-40.2-67.8000115.1L97 S103 T105 R110 K242 E245 K246 L249L97-F99 PolarHBondContact O-N 3.48Å; F99-S103 PolarHBondContact N-O 3.29Å; F99-T105 HydrophobicContact CE1-CG2 4.1Å; F99-T105 HydrophobicContact CE2-CG2 4.39Å; F99-T105 HydrophobicContact CZ-CG2 3.54Å; F99-R110 VanDerWaalsContact CZ-NE 3.33Å; F99-K242 HydrophobicContact CB-CB 4.1Å; F99-K242 HydrophobicContact CB-CD 4.1Å; F99-K242 HydrophobicContact CD1-CD 4.3Å; F99-E245 HydrophobicContact CB-CB 3.95Å; F99-E245 HydrophobicContact CD1-CB 3.54Å; F99-E245 HydrophobicContact CD1-CG 3.71Å; F99-E245 HydrophobicContact CD2-CB 3.93Å; F99-E245 HydrophobicContact CE1-CB 4.04Å; F99-E245 HydrophobicContact CE1-CG 3.91Å; F99-E245 HydrophobicContact CE2-CB 4.4Å; F99-E245 HydrophobicContact CG-CB 3.49Å; F99-E245 VanDerWaalsContact CG-CB 3.49Å; F99-E245 HydrophobicContact CG-CG 4.21Å; F99-E245 HydrophobicContact CZ-CB 4.45Å; F99-K246 WeakPolarHBondContact O-CE 3.41Å; F99-L249 HydrophobicContact CD2-CD1 4.04Å; F99-L249 HydrophobicContact CD2-CD2 4.12Å; F99-L249 HydrophobicContact CD2-CG 4.13Å; F99-L249 HydrophobicContact CE2-CD2 4.24Å
100F94.7Very high95.8Very high6 Ų621.9 Ų21.93%0.02616%0.155CC..SBendtrans-104.2128.5167.1-60.4-95.9000110H69 F71 T96 L97 L98 A102 S103 K246 L249H69-F100 AromaticContact CE1-CD1 3.99Å; H69-F100 AromaticContact CE1-CG 3.66Å; F71-F100 HydrophobicContact CD1-CE1 4.03Å; F71-F100 AromaticContact CD1-CZ 3.61Å; F71-F100 HydrophobicContact CD1-CZ 3.61Å; F71-F100 HydrophobicContact CD2-CZ 4.42Å; F71-F100 AromaticContact CE1-CZ 3.74Å; F71-F100 HydrophobicContact CE1-CZ 3.74Å; F71-F100 HydrophobicContact CG-CE1 4.39Å; F71-F100 AromaticContact CG-CZ 3.96Å; F71-F100 HydrophobicContact CG-CZ 3.96Å; F71-F100 HydrophobicContact CZ-CZ 4.19Å; T96-F100 HydrophobicContact CG2-CB 3.95Å; T96-F100 WeakPolarHBondContact CG2-O 3.44Å; L97-F100 HydrophobicContact CB-CD2 3.55Å; L97-F100 HydrophobicContact CB-CE2 4Å; L97-F100 HydrophobicContact CB-CG 4.41Å; L97-F100 HydrophobicContact CD1-CE2 4.46Å; L97-F100 WeakPolarHBondContact O-CB 3.27Å; L97-F100 PolarHBondContact O-N 3.05Å; L98-F100 VanDerWaalsContact O-CD2 3.29Å; L98-F100 WeakPolarHBondContact O-CD2 3.42Å; L98-F100 PolarHBondContact O-N 2.97Å; F100-A102 PolarHBondContact O-N 3.23Å; F100-S103 PolarHBondContact O-N 2.95Å; F100-K246 HydrophobicContact CE1-CD 4.38Å; F100-K246 HydrophobicContact CE1-CG 4.49Å; F100-K246 HydrophobicContact CZ-CG 4.31Å; F100-L249 HydrophobicContact CE2-CD1 3.84Å; F100-L249 HydrophobicContact CZ-CD1 4.48Å
101G90.2Very high95.7Very high28 Ų2823.6 Ų23.629%0.28917%0.167SC..THydrogen-bonded Turntrans53.9-126.8-176.800000111.4K242G101-K242 PolarHBondContact O-NZ 2.91Å
102A92.5Very high95.6Very high49 Ų4923.5 Ų23.541%0.40517%0.166SC..THydrogen-bonded Turntrans-92.3-1.6-174.200000114.4H36 F100H36-A102 WeakPolarHBondContact CD2-CB 3.38Å; H36-A102 PolarHBondContact CD2-O 3.4Å; H36-A102 VanDerWaalsContact CD2-O 3.22Å; H36-A102 VanDerWaalsContact CE1-CB 3.43Å; H36-A102 WeakPolarHBondContact CE1-CB 3.35Å; H36-A102 WeakPolarHBondContact NE2-CB 3.32Å; F100-A102 PolarHBondContact O-N 3.23Å
103S97.2Very high95.4Very high0 Ų025.4 Ų25.40%018%0.182CC..  trans-71.6132.8172.7-64.40000111.2T34 H36 T96 L97 F99 F100 K242T34-S103 CarbonylContact O-C 3.53Å; T34-S103 VanDerWaalsContact O-CA 3.25Å; T34-S103 WeakPolarHBondContact O-CA 3.07Å; H36-S103 PolarHBondContact N-OG 3.1Å; T96-S103 VanDerWaalsContact O-CB 3.3Å; T96-S103 WeakPolarHBondContact O-CB 3.41Å; T96-S103 PolarHBondContact O-OG 3.11Å; L97-S103 WeakPolarHBondContact O-CB 3.48Å; F99-S103 PolarHBondContact N-O 3.29Å; F100-S103 PolarHBondContact O-N 2.95Å; S103-K242 PolarHBondContact O-NZ 3.39Å; S103-K242 VanDerWaalsContact O-NZ 3.09Å
104T96.4Very high95.3Very high55 Ų5527 Ų2734%0.33719%0.189SC..BIsolated β-bridgetrans-150.2159.8-172.751.60000111.8T33 T34T33-T104 CarbonylContact C-O 3.47Å; T34-T104 PolarHBondContact N-O 3.01Å; T34-T104 PolarHBondContact O-N 2.95Å
105T96.4Very high95.3Very high18 Ų1827.1 Ų27.111%0.1119%0.19CC..  trans-149.7150.5170.2-178.50000109.9T33 L98 F99 A107 F114T33-T105 WeakPolarHBondContact OG1-CB 3.23Å; T33-T105 PolarHBondContact OG1-OG1 3.46Å; L98-T105 HydrophobicContact CD1-CG2 4.04Å; F99-T105 HydrophobicContact CE1-CG2 4.1Å; F99-T105 HydrophobicContact CE2-CG2 4.39Å; F99-T105 HydrophobicContact CZ-CG2 3.54Å; T105-A107 VanDerWaalsContact OG1-CB 3.28Å; T105-A107 WeakPolarHBondContact OG1-CB 3.46Å; T105-A107 PolarHBondContact OG1-N 3.11Å; T105-F114 HydrophobicContact CG2-CE1 4.07Å
106S93.5Very high95.2Very high100 Ų10027.1 Ų27.170%0.69919%0.19SC*.  trans-85.5-16.2165.71.20000112.6D31D31-S106 PolarHBondContact O-OG 3.33Å
107A94Very high95.1Very high9 Ų929.2 Ų29.27%0.07421%0.208CC..SBendtrans-62.3153.6-177.600000111.3D31 T105 R110 F114D31-A107 HydrophobicContact CB-CB 4.23Å; T105-A107 VanDerWaalsContact OG1-CB 3.28Å; T105-A107 WeakPolarHBondContact OG1-CB 3.46Å; T105-A107 PolarHBondContact OG1-N 3.11Å; A107-R110 PolarHBondContact O-NH1 2.92Å; A107-R110 PolarHBondContact O-NH2 3.39Å; A107-F114 HydrophobicContact CB-CE1 4.36Å; A107-F114 HydrophobicContact CB-CE2 4.29Å; A107-F114 HydrophobicContact CB-CZ 3.65Å
108A92.3Very high95Very high84 Ų8429.4 Ų29.469%0.69421%0.209SC*.SBendtrans-77.7-36.3-177.900000116.1R110A108-R110 PolarHBondContact O-NH1 3.14Å
109P93.5Very high95Very high59 Ų5929.4 Ų29.438%0.38321%0.209SC..  trans-62.4144.6-173.1-24.935000114.6F114P109-F114 HydrophobicContact CB-CB 3.97Å; P109-F114 HydrophobicContact CB-CD1 4.23Å; P109-F114 HydrophobicContact CB-CD2 3.84Å; P109-F114 HydrophobicContact CB-CE2 4.43Å; P109-F114 HydrophobicContact CB-CG 3.73Å; P109-F114 HydrophobicContact CG-CD2 4.06Å; P109-F114 HydrophobicContact CG-CE2 4.29Å; P109-F114 HydrophobicContact CG-CG 4.44Å
110R94.2Very high95Very high26 Ų2629.6 Ų29.610%0.09821%0.212CC..  trans-128.721.9177.1-53.7-74.5177.5-88.91.2113F99 A107 A108 R248 L249 E252F99-R110 VanDerWaalsContact CZ-NE 3.33Å; A107-R110 PolarHBondContact O-NH1 2.92Å; A107-R110 PolarHBondContact O-NH2 3.39Å; A108-R110 PolarHBondContact O-NH1 3.14Å; R110-R248 HydrophobicContact CB-CB 4.32Å; R110-R248 HydrophobicContact CG-CB 4Å; R110-L249 HydrophobicContact CB-CD2 4Å; R110-L249 WeakPolarHBondContact O-CD2 3.45Å; R110-E252 WeakPolarHBondContact CA-OE2 3.42Å; R110-E252 VanDerWaalsContact CB-CD 3.41Å; R110-E252 HydrophobicContact CB-CG 4.3Å; R110-E252 WeakPolarHBondContact CB-OE1 3.42Å; R110-E252 WeakPolarHBondContact CB-OE2 3.44Å; R110-E252 PolarHBondContact N-OE2 3.44Å
111S94.6Very high95Very high37 Ų3730.4 Ų30.426%0.25922%0.22SC..SBendtrans-78.9154.1176.665.30000112.5A113 F114 Q115 E252S111-A113 PolarHBondContact O-N 3.38Å; S111-F114 WeakPolarHBondContact O-CB 3.28Å; S111-F114 PolarHBondContact O-N 3.13Å; S111-F114 PolarHBondContact OG-N 3.49Å; S111-F114 VanDerWaalsContact OG-N 3.16Å; S111-Q115 PolarHBondContact O-N 3.14Å; S111-Q115 VanDerWaalsContact O-N 3.15Å; S111-E252 PolarHBondContact N-OE2 3.04Å
112D95Very high95.2Very high8 Ų829.2 Ų29.24%0.04321%0.207CC..Hα-helixtrans-62.6-26.8169.249.485.5000112.5Q115 A116 Y147 L150 V151 H154D112-Q115 WeakPolarHBondContact O-CB 3.41Å; D112-Q115 PolarHBondContact O-N 3.09Å; D112-A116 WeakPolarHBondContact O-CB 3.17Å; D112-A116 PolarHBondContact O-N 2.97Å; D112-Y147 WeakPolarHBondContact CA-OH 3.27Å; D112-Y147 HydrophobicContact CB-CE2 3.86Å; D112-L150 HydrophobicContact CB-CB 4.13Å; D112-V151 HydrophobicContact CB-CG2 3.79Å; D112-H154 IonicContact OD1-CD2 3.78Å; D112-H154 PolarHBondContact OD1-CD2 3.44Å; D112-H154 IonicContact OD1-CG 3.28Å; D112-H154 IonicContact OD1-NE2 2.76Å; D112-H154 PolarHBondContact OD1-NE2 2.92Å; D112-H154 VanDerWaalsContact OD1-NE2 3.1Å
113A94.4Very high95.3Very high40 Ų4027 Ų2733%0.33119%0.188SC..Hα-helixtrans-63.6-37.6168.600000112.8S111 A116 A117 H154S111-A113 PolarHBondContact O-N 3.38Å; A113-A116 WeakPolarHBondContact O-CB 3.35Å; A113-A116 PolarHBondContact O-N 2.94Å; A113-A117 PolarHBondContact O-N 3.25Å; A113-H154 HydrophobicContact CB-CB 4.45Å
114F95.9Very high95.1Very high35 Ų3528.4 Ų28.415%0.15420%0.197CC..Hα-helixtrans-69.4-39.6175.1-177.4-104.4000111.8L98 T105 A107 P109 S111 A116 A117 A118L98-F114 HydrophobicContact CD1-CD1 3.85Å; L98-F114 HydrophobicContact CD1-CE1 3.52Å; T105-F114 HydrophobicContact CG2-CE1 4.07Å; A107-F114 HydrophobicContact CB-CE1 4.36Å; A107-F114 HydrophobicContact CB-CE2 4.29Å; A107-F114 HydrophobicContact CB-CZ 3.65Å; P109-F114 HydrophobicContact CB-CB 3.97Å; P109-F114 HydrophobicContact CB-CD1 4.23Å; P109-F114 HydrophobicContact CB-CD2 3.84Å; P109-F114 HydrophobicContact CB-CE2 4.43Å; P109-F114 HydrophobicContact CB-CG 3.73Å; P109-F114 HydrophobicContact CG-CD2 4.06Å; P109-F114 HydrophobicContact CG-CE2 4.29Å; P109-F114 HydrophobicContact CG-CG 4.44Å; S111-F114 WeakPolarHBondContact O-CB 3.28Å; S111-F114 PolarHBondContact O-N 3.13Å; S111-F114 PolarHBondContact OG-N 3.49Å; S111-F114 VanDerWaalsContact OG-N 3.16Å; F114-A116 VanDerWaalsContact C-N 3.29Å; F114-A116 PolarHBondContact O-N 3.05Å; F114-A117 PolarHBondContact O-N 3.22Å; F114-A118 PolarHBondContact O-N 2.65Å
115Q97.7Very high94.7Very high1 Ų127.8 Ų27.81%0.00520%0.195CC..Hα-helixtrans-57.2-45.2170.8-64.2-79.13.700111.3L97 L98 S111 D112 A118 I119 Y147 V151L97-Q115 HydrophobicContact CD2-CB 4.18Å; L98-Q115 PolarHBondContact O-NE2 3.24Å; S111-Q115 PolarHBondContact O-N 3.14Å; S111-Q115 VanDerWaalsContact O-N 3.15Å; D112-Q115 WeakPolarHBondContact O-CB 3.41Å; D112-Q115 PolarHBondContact O-N 3.09Å; Q115-A118 PolarHBondContact O-N 3.18Å; Q115-I119 WeakPolarHBondContact O-CG1 3.46Å; Q115-I119 PolarHBondContact O-N 2.83Å; Q115-I119 VanDerWaalsContact O-N 3.14Å; Q115-Y147 HydrophobicContact CG-CE1 4.37Å; Q115-V151 HydrophobicContact CB-CG1 3.88Å; Q115-V151 HydrophobicContact CB-CG2 3.8Å; Q115-V151 HydrophobicContact CG-CG2 4.32Å
116A96.8Very high94Very high1 Ų129.2 Ų29.21%0.00821%0.213CC..Hα-helixtrans-64-40.7177.900000112.4D112 A113 F114 I119 A120 V151 H154 L155D112-A116 WeakPolarHBondContact O-CB 3.17Å; D112-A116 PolarHBondContact O-N 2.97Å; A113-A116 WeakPolarHBondContact O-CB 3.35Å; A113-A116 PolarHBondContact O-N 2.94Å; F114-A116 VanDerWaalsContact C-N 3.29Å; F114-A116 PolarHBondContact O-N 3.05Å; A116-I119 PolarHBondContact O-N 2.94Å; A116-A120 WeakPolarHBondContact O-CB 3.49Å; A116-A120 PolarHBondContact O-N 3.27Å; A116-V151 HydrophobicContact CB-CG1 4.09Å; A116-H154 HydrophobicContact CB-CB 3.5Å; A116-L155 HydrophobicContact CB-CB 4.05Å; A116-L155 WeakPolarHBondContact O-CD1 3.4Å
117A95.4Very high93.5Very high50 Ų5025.1 Ų25.141%0.41319%0.187SC..Hα-helixtrans-62.1-43.1176.800000112A113 F114 I119 A120 A121A113-A117 PolarHBondContact O-N 3.25Å; F114-A117 PolarHBondContact O-N 3.22Å; A117-I119 VanDerWaalsContact C-N 3.33Å; A117-I119 PolarHBondContact O-N 2.78Å; A117-A120 WeakPolarHBondContact O-CB 3.39Å; A117-A120 PolarHBondContact O-N 3.4Å; A117-A121 PolarHBondContact O-N 2.86Å
118A97Very high93.3Very high4 Ų428.4 Ų28.43%0.03321%0.214CC..Hα-helixtrans-61.3-41.9175.300000111.8V28 T33 L35 L98 F114 Q115 A121 L122V28-A118 HydrophobicContact CG2-CB 4.11Å; T33-A118 HydrophobicContact CG2-CB 3.99Å; L35-A118 VanDerWaalsContact CD1-C 3.4Å; L35-A118 HydrophobicContact CD1-CB 3.84Å; L35-A118 VanDerWaalsContact CD1-O 3.24Å; L35-A118 WeakPolarHBondContact CD1-O 3.3Å; L35-A118 HydrophobicContact CD2-CB 4.45Å; L35-A118 HydrophobicContact CG-CB 4.25Å; L98-A118 HydrophobicContact CD1-CB 4.35Å; F114-A118 PolarHBondContact O-N 2.65Å; Q115-A118 PolarHBondContact O-N 3.18Å; A118-A121 PolarHBondContact O-N 2.94Å; A118-L122 PolarHBondContact O-N 2.83Å
119I97.3Very high93.3Very high0 Ų026.5 Ų26.50%019%0.19CC..Hα-helixtrans-67.8-39175.8-62.7166.9000111L35 V66 V68 P95 L97 Q115 A116 A117 A121 L122 L123 V151 L155L35-I119 HydrophobicContact CD1-CG1 4.13Å; V66-I119 HydrophobicContact CG1-CG2 4.39Å; V68-I119 HydrophobicContact CG1-CD1 4.26Å; V68-I119 HydrophobicContact CG2-CD1 4.46Å; P95-I119 HydrophobicContact CB-CD1 4.23Å; P95-I119 HydrophobicContact CB-CG1 4Å; P95-I119 HydrophobicContact CB-CG2 4.49Å; P95-I119 HydrophobicContact CG-CD1 3.86Å; P95-I119 HydrophobicContact CG-CG1 4.06Å; P95-I119 HydrophobicContact CG-CG2 4.11Å; L97-I119 HydrophobicContact CD2-CD1 3.92Å; Q115-I119 WeakPolarHBondContact O-CG1 3.46Å; Q115-I119 PolarHBondContact O-N 2.83Å; Q115-I119 VanDerWaalsContact O-N 3.14Å; A116-I119 PolarHBondContact O-N 2.94Å; A117-I119 VanDerWaalsContact C-N 3.33Å; A117-I119 PolarHBondContact O-N 2.78Å; I119-A121 VanDerWaalsContact C-N 3.34Å; I119-A121 PolarHBondContact O-N 3.11Å; I119-L122 WeakPolarHBondContact O-CB 3.49Å; I119-L122 PolarHBondContact O-N 2.68Å; I119-L123 HydrophobicContact CG2-CD1 3.82Å; I119-L123 HydrophobicContact CG2-CG 4.34Å; I119-L123 VanDerWaalsContact O-CG 3.27Å; I119-L123 WeakPolarHBondContact O-CG 3.06Å; I119-L123 PolarHBondContact O-N 3.05Å; I119-L123 VanDerWaalsContact O-N 3.09Å; I119-V151 HydrophobicContact CD1-CG1 3.79Å; I119-L155 HydrophobicContact CB-CD1 4.13Å; I119-L155 HydrophobicContact CB-CD2 4.37Å; I119-L155 HydrophobicContact CG2-CD1 3.94Å; I119-L155 HydrophobicContact CG2-CD2 3.62Å; I119-L155 HydrophobicContact CG2-CG 4.45Å
120A95.6Very high93.3Very high11 Ų1123.7 Ų23.79%0.09117%0.172CC..Hα-helixtrans-59.7-47.3176.300000110.5A116 A117 L122 L123 T124 L155 A158 L159A116-A120 WeakPolarHBondContact O-CB 3.49Å; A116-A120 PolarHBondContact O-N 3.27Å; A117-A120 WeakPolarHBondContact O-CB 3.39Å; A117-A120 PolarHBondContact O-N 3.4Å; A120-L122 VanDerWaalsContact C-N 3.34Å; A120-L122 PolarHBondContact O-N 2.83Å; A120-L123 CarbonylContact O-C 3.59Å; A120-L123 WeakPolarHBondContact O-CA 3.12Å; A120-L123 PolarHBondContact O-N 2.78Å; A120-T124 PolarHBondContact O-N 2.75Å; A120-T124 PolarHBondContact O-OG1 2.89Å; A120-L155 HydrophobicContact CB-CD1 3.86Å; A120-A158 HydrophobicContact CB-CB 4.49Å; A120-L159 HydrophobicContact CB-CD2 3.95Å; A120-L159 HydrophobicContact CB-CG 4.49Å
121A94.5Very high93.1Very high24 Ų2423.8 Ų23.820%0.19818%0.176CC..Hα-helixtrans-58.3-43.6174.500000111.9V28 A117 A118 I119 L123 T124 S125V28-A121 HydrophobicContact CB-CB 3.88Å; V28-A121 HydrophobicContact CG2-CB 4.39Å; V28-A121 WeakPolarHBondContact O-CB 3.33Å; A117-A121 PolarHBondContact O-N 2.86Å; A118-A121 PolarHBondContact O-N 2.94Å; I119-A121 VanDerWaalsContact C-N 3.34Å; I119-A121 PolarHBondContact O-N 3.11Å; A121-L123 PolarHBondContact O-N 3Å; A121-L123 VanDerWaalsContact O-N 3.16Å; A121-T124 PolarHBondContact O-N 2.95Å; A121-S125 PolarHBondContact O-N 3.45Å; A121-S125 PolarHBondContact O-OG 3.02Å
122L95.3Very high92.9Very high2 Ų222.1 Ų22.11%0.0117%0.165CC..Hα-helixtrans-54.3-37.8173.3175.865.1000112.8A26 V28 L35 F37 P95 A118 I119 A120 H129 L130A26-L122 HydrophobicContact CB-CD1 3.97Å; V28-L122 HydrophobicContact CG1-CB 4.03Å; V28-L122 HydrophobicContact CG1-CD1 4.5Å; L35-L122 HydrophobicContact CD1-CB 4.17Å; L35-L122 HydrophobicContact CD1-CD2 4.35Å; F37-L122 HydrophobicContact CB-CD2 4.01Å; F37-L122 HydrophobicContact CD1-CD1 3.65Å; F37-L122 HydrophobicContact CD1-CD2 3.85Å; F37-L122 HydrophobicContact CD1-CG 4.42Å; F37-L122 HydrophobicContact CE1-CD1 3.55Å; F37-L122 HydrophobicContact CG-CD1 4.39Å; F37-L122 HydrophobicContact CG-CD2 4.02Å; F37-L122 HydrophobicContact CZ-CD1 4.21Å; P95-L122 HydrophobicContact CB-CD2 4.4Å; A118-L122 PolarHBondContact O-N 2.83Å; I119-L122 WeakPolarHBondContact O-CB 3.49Å; I119-L122 PolarHBondContact O-N 2.68Å; A120-L122 VanDerWaalsContact C-N 3.34Å; A120-L122 PolarHBondContact O-N 2.83Å; L122-H129 HydrophobicContact CD1-CB 3.73Å; L122-L130 HydrophobicContact CG-CD1 4.34Å
123L94.8Very high92.6Very high3 Ų321.8 Ų21.82%0.01616%0.163CC..Hα-helixtrans-86.6-27.2-174.8-64.8168.5000113.9V66 V93 I119 A120 A121 L130 L133 L140 L155 L159V66-L123 HydrophobicContact CG2-CD1 3.92Å; V66-L123 HydrophobicContact CG2-CD2 4.08Å; V93-L123 HydrophobicContact CB-CD2 4.49Å; V93-L123 HydrophobicContact CG1-CD2 4.2Å; V93-L123 HydrophobicContact CG2-CD2 4.33Å; I119-L123 HydrophobicContact CG2-CD1 3.82Å; I119-L123 HydrophobicContact CG2-CG 4.34Å; I119-L123 VanDerWaalsContact O-CG 3.27Å; I119-L123 WeakPolarHBondContact O-CG 3.06Å; I119-L123 PolarHBondContact O-N 3.05Å; I119-L123 VanDerWaalsContact O-N 3.09Å; A120-L123 CarbonylContact O-C 3.59Å; A120-L123 WeakPolarHBondContact O-CA 3.12Å; A120-L123 PolarHBondContact O-N 2.78Å; A121-L123 PolarHBondContact O-N 3Å; A121-L123 VanDerWaalsContact O-N 3.16Å; L123-L130 HydrophobicContact CD2-CD1 4.02Å; L123-L133 HydrophobicContact CB-CD1 4.42Å; L123-L133 HydrophobicContact CD2-CD1 3.87Å; L123-L133 WeakPolarHBondContact O-CD1 3.49Å; L123-L140 HydrophobicContact CD1-CD1 4.12Å; L123-L140 HydrophobicContact CD2-CD1 4.2Å; L123-L155 HydrophobicContact CD1-CD1 4.3Å; L123-L155 HydrophobicContact CD1-CD2 4.32Å; L123-L159 HydrophobicContact CD1-CD1 4.11Å
124T92Very high92.1Very high30 Ų3020.3 Ų20.318%0.18415%0.152CC..Hα-helixtrans-116.74.3-168.866.10000115.6A120 A121 G126 L159 V168A120-T124 PolarHBondContact O-N 2.75Å; A120-T124 PolarHBondContact O-OG1 2.89Å; A121-T124 PolarHBondContact O-N 2.95Å; T124-G126 PolarHBondContact O-N 3.48Å; T124-L159 HydrophobicContact CG2-CD2 3.46Å; T124-L159 VanDerWaalsContact CG2-CD2 3.46Å; T124-V168 HydrophobicContact CG2-CG2 4.05Å
125S88Confident91.3Very high42 Ų4221.9 Ų21.929%0.29418%0.178SC..SBendtrans-69.145.1179.2-62.60000115.8A121 G127 A128 H129A121-S125 PolarHBondContact O-N 3.45Å; A121-S125 PolarHBondContact O-OG 3.02Å; S125-G127 PolarHBondContact O-N 3.36Å; S125-A128 WeakPolarHBondContact O-CB 3.29Å; S125-A128 PolarHBondContact O-N 3.27Å; S125-H129 VanDerWaalsContact CB-CD2 3.45Å; S125-H129 WeakPolarHBondContact CB-CD2 3.42Å; S125-H129 PolarHBondContact OG-CD2 3.27Å; S125-H129 VanDerWaalsContact OG-CD2 3.29Å; S125-H129 PolarHBondContact OG-NE2 3.36Å; S125-H129 VanDerWaalsContact OG-NE2 3.13Å
126G81.6Confident90.5Very high48 Ų4827.7 Ų27.750%0.49521%0.205SC..THydrogen-bonded Turntrans6811.1175.500000114.6T124 Q167T124-G126 PolarHBondContact O-N 3.48Å; G126-Q167 VanDerWaalsContact C-NE2 3.26Å
127G84.1Confident90Very high14 Ų1434.1 Ų34.114%0.14423%0.229CC..THydrogen-bonded Turntrans82.49.8-167.200000114.8S125 H129 L130 P131S125-G127 PolarHBondContact O-N 3.36Å; G127-H129 VanDerWaalsContact C-N 3.3Å; G127-H129 PolarHBondContact O-N 2.93Å; G127-L130 WeakPolarHBondContact CA-O 3.49Å; G127-L130 CarbonylContact O-C 3.56Å; G127-P131 WeakPolarHBondContact O-CA 3.43Å
128A88.4Confident89.7Confident77 Ų7732.4 Ų32.464%0.63621%0.212SC*.SBendtrans-60.5-38.3178.200000112.9S125S125-A128 WeakPolarHBondContact O-CB 3.29Å; S125-A128 PolarHBondContact O-N 3.27Å
129H92.7Very high89.5Confident44 Ų4436.2 Ų36.220%0.20423%0.229CC..SBendtrans-98.6-34.4-179.6-50.5-48.3000113A26 V27 L122 S125 G127A26-H129 HydrophobicContact CB-CB 3.95Å; V27-H129 PolarHBondContact O-CE1 2.93Å; L122-H129 HydrophobicContact CD1-CB 3.73Å; S125-H129 VanDerWaalsContact CB-CD2 3.45Å; S125-H129 WeakPolarHBondContact CB-CD2 3.42Å; S125-H129 PolarHBondContact OG-CD2 3.27Å; S125-H129 VanDerWaalsContact OG-CD2 3.29Å; S125-H129 PolarHBondContact OG-NE2 3.36Å; S125-H129 VanDerWaalsContact OG-NE2 3.13Å; G127-H129 VanDerWaalsContact C-N 3.3Å; G127-H129 PolarHBondContact O-N 2.93Å
130L93.4Very high89.4Confident1 Ų136.2 Ų36.21%0.00523%0.229CC..  trans-127.783.2178.9-65.4174.7000108.9F37 A39 L43 L44 V93 L122 L123 G127 G132 L133F37-L130 HydrophobicContact CD2-CD2 4.37Å; F37-L130 HydrophobicContact CE2-CD2 3.73Å; F37-L130 HydrophobicContact CZ-CD2 4.18Å; A39-L130 HydrophobicContact CB-CD2 3.75Å; L43-L130 HydrophobicContact CB-CD2 4.39Å; L43-L130 CarbonylContact O-C 3.21Å; L43-L130 WeakPolarHBondContact O-CA 3.38Å; L44-L130 HydrophobicContact CD2-CD2 4.01Å; V93-L130 HydrophobicContact CG1-CD1 4.23Å; V93-L130 HydrophobicContact CG2-CD1 4.08Å; L122-L130 HydrophobicContact CG-CD1 4.34Å; L123-L130 HydrophobicContact CD2-CD1 4.02Å; G127-L130 WeakPolarHBondContact CA-O 3.49Å; G127-L130 CarbonylContact O-C 3.56Å; L130-G132 PolarHBondContact O-N 2.97Å; L130-G132 VanDerWaalsContact O-N 3.08Å; L130-L133 HydrophobicContact CB-CB 4.29Å; L130-L133 HydrophobicContact CB-CD1 3.86Å; L130-L133 HydrophobicContact CB-CG 3.93Å; L130-L133 HydrophobicContact CD1-CD1 3.58Å; L130-L133 HydrophobicContact CD1-CG 4.38Å; L130-L133 HydrophobicContact CG-CD1 4.38Å; L130-L133 WeakPolarHBondContact O-CB 3.29Å; L130-L133 PolarHBondContact O-N 3.42Å
131P91Very high89.5Confident28 Ų2835.8 Ų35.818%0.18223%0.225CC..G310 helixtrans-55.1-30.7-175.5-28.135.2000114.5L43 L46 G127 L133 G134L43-P131 WeakPolarHBondContact O-CD 3.47Å; L43-P131 VanDerWaalsContact O-N 3.16Å; L46-P131 HydrophobicContact CD2-CB 3.87Å; L46-P131 HydrophobicContact CG-CB 3.96Å; G127-P131 WeakPolarHBondContact O-CA 3.43Å; P131-L133 VanDerWaalsContact C-N 3.25Å; P131-L133 PolarHBondContact O-N 2.9Å; P131-G134 PolarHBondContact O-N 3.34Å
132G89.8Confident89.7Confident2 Ų234.6 Ų34.62%0.02122%0.216CC..G310 helixtrans-75.3-8.817700000114.4L43 I45 R61 L130 R138L43-G132 PolarHBondContact O-N 2.83Å; I45-G132 PolarHBondContact O-N 3.33Å; R61-G132 PolarHBondContact NH2-O 3.26Å; L130-G132 PolarHBondContact O-N 2.97Å; L130-G132 VanDerWaalsContact O-N 3.08Å; G132-R138 PolarHBondContact O-NH1 3.32Å
133L89.1Confident89.9Confident0 Ų034.5 Ų34.50%022%0.215CC..G310 helixtrans-86.4-15.1165.1-64.9-176.4000112.5L43 V64 L123 L130 P131L43-L133 HydrophobicContact CD2-CD2 3.79Å; L43-L133 HydrophobicContact CD2-CG 4.23Å; V64-L133 HydrophobicContact CG1-CD2 4.46Å; V64-L133 HydrophobicContact CG2-CD2 3.65Å; L123-L133 HydrophobicContact CB-CD1 4.42Å; L123-L133 HydrophobicContact CD2-CD1 3.87Å; L123-L133 WeakPolarHBondContact O-CD1 3.49Å; L130-L133 HydrophobicContact CB-CB 4.29Å; L130-L133 HydrophobicContact CB-CD1 3.86Å; L130-L133 HydrophobicContact CB-CG 3.93Å; L130-L133 HydrophobicContact CD1-CD1 3.58Å; L130-L133 HydrophobicContact CD1-CG 4.38Å; L130-L133 HydrophobicContact CG-CD1 4.38Å; L130-L133 WeakPolarHBondContact O-CB 3.29Å; L130-L133 PolarHBondContact O-N 3.42Å; P131-L133 VanDerWaalsContact C-N 3.25Å; P131-L133 PolarHBondContact O-N 2.9Å
134G83.2Confident90.1Very high9 Ų934.4 Ų34.49%0.09322%0.215CC..SBendtrans-66.9160.3173.600000113P131P131-G134 PolarHBondContact O-N 3.34Å
135G80.4Confident90.4Very high69 Ų6933 Ų3371%0.71121%0.206SC*.SBendtrans87.1-120.2179.200000112.2
136E80.5Confident90.8Very high123 Ų12331.8 Ų31.858%0.57520%0.198SC*.SBendtrans-71.8147-176.8-65.7176.7178.200113A58 R138A58-E136 WeakPolarHBondContact CB-OE2 3.43Å; E136-R138 PolarHBondContact O-N 3.34Å
137R86.3Confident91.5Very high136 Ų13629.8 Ų29.851%0.51318%0.175SC..  trans-55.9131.5177.8-170.9166.9-164.1-137.51.4111.3G166 Q167 V168 E169R137-G166 VanDerWaalsContact CB-O 3.28Å; R137-G166 WeakPolarHBondContact CB-O 3.4Å; R137-G166 WeakPolarHBondContact CD-O 3.38Å; R137-G166 WeakPolarHBondContact CG-O 3.29Å; R137-Q167 CarbonylContact C-O 3.49Å; R137-Q167 WeakPolarHBondContact CA-O 3.36Å; R137-V168 PolarHBondContact NE-O 3.05Å; R137-E169 HydrophobicContact CG-CB 4.18Å; R137-E169 VanDerWaalsContact CZ-CD 3.47Å; R137-E169 IonicContact CZ-OE1 3.63Å; R137-E169 IonicContact CZ-OE2 3.91Å; R137-E169 IonicContact NH1-OE1 3.42Å; R137-E169 PolarHBondContact NH1-OE1 2.74Å; R137-E169 IonicContact NH1-OE2 2.66Å; R137-E169 PolarHBondContact NH1-OE2 3.45Å; R137-E169 IonicContact NH2-OE1 3.69Å; R137-E169 PolarHBondContact NH2-OE1 3.49Å
138R88.1Confident92.2Very high14 Ų1429.1 Ų29.15%0.05317%0.168CC..EExtended strand (participates in β ladder)trans-112132179.4-68.4-70.6-81.4-66.80.6111.6R61 R62 V64 D91 G132 E136 L140 Q167 V168 E169R61-R138 VanDerWaalsContact CZ-NH1 3.28Å; R61-R138 VanDerWaalsContact NE-CD 3.28Å; R62-R138 PolarHBondContact O-NE 3.15Å; R62-R138 PolarHBondContact O-NH2 3.35Å; V64-R138 HydrophobicContact CG2-CB 4.41Å; D91-R138 IonicContact OD2-CZ 2.78Å; D91-R138 IonicContact OD2-NH2 3.67Å; D91-R138 PolarHBondContact OD2-NH2 2.98Å; G132-R138 PolarHBondContact O-NH1 3.32Å; E136-R138 PolarHBondContact O-N 3.34Å; R138-L140 PolarHBondContact O-N 3.43Å; R138-Q167 PolarHBondContact N-O 2.78Å; R138-V168 CarbonylContact O-C 3.59Å; R138-V168 VanDerWaalsContact O-CA 3.29Å; R138-V168 WeakPolarHBondContact O-CA 3.5Å; R138-E169 PolarHBondContact O-N 3.34Å
139E93.2Very high92.6Very high84 Ų8425.5 Ų25.539%0.39314%0.138SC..EExtended strand (participates in β ladder)trans-61.9128.5163.3-176.6176.5-158.900109.6P63 V64 H141P63-E139 HydrophobicContact CB-CB 4.16Å; P63-E139 HydrophobicContact CB-CG 4.22Å; V64-E139 PolarHBondContact N-O 3.03Å; E139-H141 IonicContact OE1-CE1 3.05Å; E139-H141 PolarHBondContact OE1-CE1 2.87Å; E139-H141 IonicContact OE1-NE2 3.51Å
140L95.5Very high92.8Very high0 Ų024.3 Ų24.30%013%0.133CC..EExtended strand (participates in β ladder)trans-130.3127.7-177.3-176.3148.7000109.6V64 V66 L123 R138 I142 L159 V168 E169 V170 G171V64-L140 HydrophobicContact CB-CB 4.38Å; V64-L140 HydrophobicContact CB-CD1 4.4Å; V64-L140 HydrophobicContact CB-CG 4.28Å; V64-L140 HydrophobicContact CG1-CD1 4.07Å; V64-L140 HydrophobicContact CG1-CG 4.25Å; V64-L140 CarbonylContact O-C 3.57Å; V64-L140 WeakPolarHBondContact O-CA 3.42Å; V66-L140 HydrophobicContact CG2-CD1 3.84Å; V66-L140 HydrophobicContact CG2-CD2 3.88Å; V66-L140 HydrophobicContact CG2-CG 3.96Å; L123-L140 HydrophobicContact CD1-CD1 4.12Å; L123-L140 HydrophobicContact CD2-CD1 4.2Å; R138-L140 PolarHBondContact O-N 3.43Å; L140-I142 HydrophobicContact CD2-CD1 4.14Å; L140-I142 HydrophobicContact CD2-CG1 3.55Å; L140-L159 HydrophobicContact CD2-CD1 4.14Å; L140-V168 HydrophobicContact CB-CB 4.25Å; L140-V168 HydrophobicContact CD1-CB 4.27Å; L140-V168 HydrophobicContact CD1-CG1 3.93Å; L140-E169 PolarHBondContact N-O 2.84Å; L140-V170 CarbonylContact O-C 3.34Å; L140-V170 WeakPolarHBondContact O-CA 3.49Å; L140-G171 PolarHBondContact O-N 2.83Å
141H97.9Very high93Very high1 Ų124.3 Ų24.31%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-108.2150.2173.4-55.7-35.7000110.2V64 V65 V66 F90 E139 K172 L325V64-H141 PolarHBondContact O-N 3.35Å; V65-H141 WeakPolarHBondContact CA-O 3.37Å; V65-H141 HydrophobicContact CG2-CB 4.12Å; V66-H141 PolarHBondContact N-O 2.92Å; F90-H141 AromaticContact CE1-CD2 3.92Å; E139-H141 IonicContact OE1-CE1 3.05Å; E139-H141 PolarHBondContact OE1-CE1 2.87Å; E139-H141 IonicContact OE1-NE2 3.51Å; H141-K172 VanDerWaalsContact CA-O 3.28Å; H141-K172 WeakPolarHBondContact CA-O 3.42Å; H141-K172 PolarHBondContact ND1-N 2.83Å; H141-L325 HydrophobicContact CB-CD2 3.85Å
142I98.7Very high93.3Very high0 Ų023 Ų230%013%0.125CC..EExtended strand (participates in β ladder)trans-122.6128.4-178.3-54.7167.4000108.3V68 L140 A152 L155 A156 L159 V170 K172 V173 V174V68-I142 HydrophobicContact CG2-CG2 4.41Å; L140-I142 HydrophobicContact CD2-CD1 4.14Å; L140-I142 HydrophobicContact CD2-CG1 3.55Å; I142-A152 HydrophobicContact CG2-CB 3.5Å; I142-A152 VanDerWaalsContact CG2-CB 3.5Å; I142-L155 HydrophobicContact CD1-CB 4.26Å; I142-L155 HydrophobicContact CD1-CD2 4.02Å; I142-L155 HydrophobicContact CD1-CG 3.82Å; I142-L155 HydrophobicContact CG1-CD2 4.27Å; I142-L155 HydrophobicContact CG2-CD2 4.06Å; I142-A156 HydrophobicContact CD1-CB 3.77Å; I142-L159 HydrophobicContact CD1-CD1 4.34Å; I142-V170 HydrophobicContact CD1-CG1 4.03Å; I142-K172 PolarHBondContact N-O 2.66Å; I142-V173 CarbonylContact O-C 3.52Å; I142-V173 WeakPolarHBondContact O-CA 3.26Å; I142-V174 PolarHBondContact O-N 3.34Å
143V98.8Very high93.6Very high0 Ų023.1 Ų23.10%012%0.124CC..EExtended strand (participates in β ladder)trans-125.1120.1176-177.30000107.4V65 V66 L67 V68 W79 V174 L321 L325V65-V143 HydrophobicContact CG1-CG2 3.89Å; V66-V143 PolarHBondContact O-N 2.74Å; L67-V143 CarbonylContact C-O 3.6Å; L67-V143 WeakPolarHBondContact CA-O 3.44Å; L67-V143 HydrophobicContact CD2-CB 3.74Å; L67-V143 HydrophobicContact CD2-CG1 4.18Å; L67-V143 HydrophobicContact CD2-CG2 4.05Å; V68-V143 PolarHBondContact N-O 2.88Å; W79-V143 HydrophobicContact CH2-CG1 3.89Å; W79-V143 HydrophobicContact CZ3-CG1 4.42Å; V143-V174 WeakPolarHBondContact CA-O 3.36Å; V143-V174 HydrophobicContact CB-CB 4.26Å; V143-V174 HydrophobicContact CG1-CB 4.04Å; V143-V174 HydrophobicContact CG1-CG1 4.28Å; V143-V174 HydrophobicContact CG2-CB 4Å; V143-V174 HydrophobicContact CG2-CG2 4.06Å; V143-L321 HydrophobicContact CG1-CD1 4.41Å; V143-L321 HydrophobicContact CG2-CD1 4.02Å; V143-L325 HydrophobicContact CG2-CD1 4.31Å
144G98.6Very high93.9Very high0 Ų024.4 Ų24.40%013%0.131CC..EExtended strand (participates in β ladder)trans-124.1142.1177.600000111.5V68 G148 V174 C176V68-G144 WeakPolarHBondContact O-CA 3.43Å; G144-G148 WeakPolarHBondContact CA-O 3.36Å; G144-V174 PolarHBondContact N-O 2.95Å; G144-C176 PolarHBondContact O-N 3.41Å
145T98.2Very high94.5Very high1 Ų124 Ų241%0.00613%0.126CC..EExtended strand (participates in β ladder)trans-117.2139.2173.6-173.70000111.9V68 G70 W79 Y147 G148 G149 C176 H310V68-T145 PolarHBondContact O-N 3.02Å; V68-T145 VanDerWaalsContact O-N 3.14Å; G70-T145 WeakPolarHBondContact CA-O 3.48Å; G70-T145 PolarHBondContact N-O 2.84Å; W79-T145 HydrophobicContact CH2-CG2 3.96Å; W79-T145 HydrophobicContact CZ2-CG2 3.62Å; T145-Y147 PolarHBondContact O-N 3.38Å; T145-G148 VanDerWaalsContact O-CA 3.27Å; T145-G148 WeakPolarHBondContact O-CA 3.36Å; T145-G148 PolarHBondContact O-N 3.16Å; T145-G149 PolarHBondContact O-N 3.04Å; T145-C176 CarbonylContact C-O 3.53Å; T145-C176 WeakPolarHBondContact CA-O 3.35Å; T145-C176 PolarHBondContact OG1-O 3.05Å; T145-H310 PolarHBondContact OG1-CE1 3.15Å
146S96.8Very high95.2Very high17 Ų1720.7 Ų20.712%0.1199%0.092CC..THydrogen-bonded Turntrans53.9-128.9179.2-171.50000110.9G148 G149 C176 D177 A178 H307S146-G148 PolarHBondContact O-N 2.94Å; S146-G148 VanDerWaalsContact O-N 3.17Å; S146-G149 WeakPolarHBondContact O-CA 3.37Å; S146-G149 PolarHBondContact O-N 3.15Å; S146-C176 PolarHBondContact N-O 3.24Å; S146-D177 VanDerWaalsContact CA-O 3.26Å; S146-D177 WeakPolarHBondContact CA-O 3.31Å; S146-A178 VanDerWaalsContact O-CB 3.31Å; S146-A178 WeakPolarHBondContact O-CB 3.23Å; S146-H307 WeakPolarHBondContact CB-NE2 3.48Å; S146-H307 PolarHBondContact OG-CE1 2.95Å; S146-H307 PolarHBondContact OG-NE2 3.39Å
147Y97.1Very high95.7Very high6 Ų616.9 Ų16.92%0.0247%0.073CC..Hα-helixtrans-52.4-34.5171.7179.4-106000113.7F71 L97 D112 Q115 T145 G149 L150 V151 I253F71-Y147 HydrophobicContact CD2-CD1 4.04Å; F71-Y147 HydrophobicContact CD2-CD2 4.36Å; F71-Y147 AromaticContact CD2-CG 3.73Å; F71-Y147 HydrophobicContact CD2-CG 3.73Å; F71-Y147 AromaticContact CE2-CD1 3.67Å; F71-Y147 HydrophobicContact CE2-CD1 3.67Å; F71-Y147 AromaticContact CE2-CD2 3.72Å; F71-Y147 HydrophobicContact CE2-CD2 3.72Å; F71-Y147 HydrophobicContact CE2-CE1 4.16Å; F71-Y147 HydrophobicContact CE2-CE2 4.19Å; F71-Y147 AromaticContact CE2-CG 3.43Å; F71-Y147 HydrophobicContact CE2-CG 3.43Å; F71-Y147 VanDerWaalsContact CE2-CG 3.43Å; L97-Y147 HydrophobicContact CD1-CD1 3.76Å; L97-Y147 HydrophobicContact CD1-CE1 3.96Å; D112-Y147 WeakPolarHBondContact CA-OH 3.27Å; D112-Y147 HydrophobicContact CB-CE2 3.86Å; Q115-Y147 HydrophobicContact CG-CE1 4.37Å; T145-Y147 PolarHBondContact O-N 3.38Å; Y147-G149 PolarHBondContact O-N 2.98Å; Y147-L150 HydrophobicContact CD2-CD1 4.03Å; Y147-L150 WeakPolarHBondContact O-CB 3.29Å; Y147-L150 PolarHBondContact O-N 3.06Å; Y147-V151 HydrophobicContact CD1-CG2 4.16Å; Y147-V151 HydrophobicContact CE1-CG2 3.8Å; Y147-V151 PolarHBondContact O-N 3.04Å; Y147-V151 VanDerWaalsContact O-N 3.16Å; Y147-I253 HydrophobicContact CD2-CD1 3.69Å; Y147-I253 HydrophobicContact CD2-CG1 4.05Å; Y147-I253 HydrophobicContact CE2-CD1 3.99Å; Y147-I253 HydrophobicContact CE2-CG1 3.85Å
148G98.2Very high96Very high0 Ų011.8 Ų11.80%06%0.06CC..Hα-helixtrans-63.3-22.517400000113.4H69 G144 T145 S146 A152H69-G148 VanDerWaalsContact O-CA 3.26Å; H69-G148 WeakPolarHBondContact O-CA 3.24Å; G144-G148 WeakPolarHBondContact CA-O 3.36Å; T145-G148 VanDerWaalsContact O-CA 3.27Å; T145-G148 WeakPolarHBondContact O-CA 3.36Å; T145-G148 PolarHBondContact O-N 3.16Å; S146-G148 PolarHBondContact O-N 2.94Å; S146-G148 VanDerWaalsContact O-N 3.17Å; G148-A152 WeakPolarHBondContact O-CB 3.24Å; G148-A152 PolarHBondContact O-N 3Å
149G97.6Very high96.2Very high0 Ų011.9 Ų11.90%06%0.061CC..Hα-helixtrans-69.7-37.4169.700000113.1T145 S146 Y147 A152 R153 L175T145-G149 PolarHBondContact O-N 3.04Å; S146-G149 WeakPolarHBondContact O-CA 3.37Å; S146-G149 PolarHBondContact O-N 3.15Å; Y147-G149 PolarHBondContact O-N 2.98Å; G149-A152 PolarHBondContact O-N 3.13Å; G149-R153 PolarHBondContact O-N 2.67Å; G149-L175 WeakPolarHBondContact O-CD2 3.49Å
150L96.2Very high96Very high20 Ų2010.4 Ų10.411%0.1056%0.06CC..Hα-helixtrans-62.4-50.8172.5-49.3-170.3000109.6D112 Y147 A152 R153 H154 L180 I253D112-L150 HydrophobicContact CB-CB 4.13Å; Y147-L150 HydrophobicContact CD2-CD1 4.03Å; Y147-L150 WeakPolarHBondContact O-CB 3.29Å; Y147-L150 PolarHBondContact O-N 3.06Å; L150-A152 VanDerWaalsContact C-N 3.3Å; L150-A152 PolarHBondContact O-N 3.08Å; L150-R153 WeakPolarHBondContact O-CB 3.25Å; L150-R153 PolarHBondContact O-N 3.02Å; L150-R153 VanDerWaalsContact O-N 3.16Å; L150-H154 PolarHBondContact O-CD2 2.77Å; L150-H154 PolarHBondContact O-N 2.89Å; L150-H154 VanDerWaalsContact O-N 3.15Å; L150-L180 HydrophobicContact CD2-CD2 3.36Å; L150-I253 HydrophobicContact CD1-CD1 4.32Å; L150-I253 HydrophobicContact CD1-CG1 4.26Å; L150-I253 HydrophobicContact CD1-CG2 3.73Å
151V97.7Very high95.3Very high0 Ų015.7 Ų15.70%09%0.092CC..Hα-helixtrans-58.7-41.8176.5179.90000111.1V68 L97 D112 Q115 A116 I119 Y147 R153 H154 L155V68-V151 HydrophobicContact CG1-CB 4.05Å; V68-V151 HydrophobicContact CG1-CG1 3.97Å; L97-V151 HydrophobicContact CD2-CG1 4.04Å; L97-V151 HydrophobicContact CD2-CG2 4.21Å; D112-V151 HydrophobicContact CB-CG2 3.79Å; Q115-V151 HydrophobicContact CB-CG1 3.88Å; Q115-V151 HydrophobicContact CB-CG2 3.8Å; Q115-V151 HydrophobicContact CG-CG2 4.32Å; A116-V151 HydrophobicContact CB-CG1 4.09Å; I119-V151 HydrophobicContact CD1-CG1 3.79Å; Y147-V151 HydrophobicContact CD1-CG2 4.16Å; Y147-V151 HydrophobicContact CE1-CG2 3.8Å; Y147-V151 PolarHBondContact O-N 3.04Å; Y147-V151 VanDerWaalsContact O-N 3.16Å; V151-R153 VanDerWaalsContact C-N 3.34Å; V151-R153 PolarHBondContact O-N 2.73Å; V151-H154 PolarHBondContact O-N 3.35Å; V151-L155 VanDerWaalsContact O-CB 3.29Å; V151-L155 WeakPolarHBondContact O-CB 3.33Å; V151-L155 PolarHBondContact O-N 3.31Å
152A97.9Very high93.9Very high0 Ų019.3 Ų19.30%012%0.118CC..Hα-helixtrans-60.7-40.2177.900000112.8I142 G148 G149 L150 L155 A156 L175I142-A152 HydrophobicContact CG2-CB 3.5Å; I142-A152 VanDerWaalsContact CG2-CB 3.5Å; G148-A152 WeakPolarHBondContact O-CB 3.24Å; G148-A152 PolarHBondContact O-N 3Å; G149-A152 PolarHBondContact O-N 3.13Å; L150-A152 VanDerWaalsContact C-N 3.3Å; L150-A152 PolarHBondContact O-N 3.08Å; A152-L155 PolarHBondContact O-N 3.02Å; A152-A156 WeakPolarHBondContact O-CB 3.35Å; A152-A156 PolarHBondContact O-N 3.01Å; A152-L175 HydrophobicContact CB-CD2 4.16Å
153R95.4Very high91.6Very high5 Ų524.3 Ų24.32%0.01916%0.159CC..Hα-helixtrans-63.3-48.2174.7169.9174.6136.2123.63.1111.3G149 L150 V151 L155 A156 R157 D259 Q261 L262 L266G149-R153 PolarHBondContact O-N 2.67Å; L150-R153 WeakPolarHBondContact O-CB 3.25Å; L150-R153 PolarHBondContact O-N 3.02Å; L150-R153 VanDerWaalsContact O-N 3.16Å; V151-R153 VanDerWaalsContact C-N 3.34Å; V151-R153 PolarHBondContact O-N 2.73Å; R153-L155 VanDerWaalsContact C-N 3.3Å; R153-L155 PolarHBondContact O-N 3.38Å; R153-A156 PolarHBondContact O-N 3.24Å; R153-R157 WeakPolarHBondContact O-CG 3.06Å; R153-R157 PolarHBondContact O-N 3.13Å; R153-R157 VanDerWaalsContact O-N 3.15Å; R153-D259 IonicContact CZ-OD2 3.24Å; R153-D259 IonicContact NH2-OD2 3.28Å; R153-D259 PolarHBondContact NH2-OD2 3.42Å; R153-Q261 PolarHBondContact NH2-O 2.9Å; R153-L262 PolarHBondContact NH1-O 3.28Å; R153-L262 VanDerWaalsContact NH2-CA 3.29Å; R153-L262 PolarHBondContact NH2-O 3.25Å; R153-L266 HydrophobicContact CG-CD1 4.4Å
154H94.8Very high89.1Confident28 Ų2827.1 Ų27.113%0.1319%0.188CC..Hα-helixtrans-64.2-36.2177-77.1-76.3000112.5D112 A113 A116 L150 V151 R157 A158D112-H154 IonicContact OD1-CD2 3.78Å; D112-H154 PolarHBondContact OD1-CD2 3.44Å; D112-H154 IonicContact OD1-CG 3.28Å; D112-H154 IonicContact OD1-NE2 2.76Å; D112-H154 PolarHBondContact OD1-NE2 2.92Å; D112-H154 VanDerWaalsContact OD1-NE2 3.1Å; A113-H154 HydrophobicContact CB-CB 4.45Å; A116-H154 HydrophobicContact CB-CB 3.5Å; L150-H154 PolarHBondContact O-CD2 2.77Å; L150-H154 PolarHBondContact O-N 2.89Å; L150-H154 VanDerWaalsContact O-N 3.15Å; V151-H154 PolarHBondContact O-N 3.35Å; H154-R157 PolarHBondContact O-N 2.87Å; H154-A158 WeakPolarHBondContact O-CB 3.48Å; H154-A158 PolarHBondContact O-N 3.18Å
155L95.8Very high87.2Confident0 Ų031.7 Ų31.70%021%0.213CC..Hα-helixtrans-64.3-46.2176.3179.462.3000111.2V66 A116 I119 A120 L123 I142 V151 A152 R153 R157 A158 L159V66-L155 HydrophobicContact CG1-CD2 4.25Å; A116-L155 HydrophobicContact CB-CB 4.05Å; A116-L155 WeakPolarHBondContact O-CD1 3.4Å; I119-L155 HydrophobicContact CB-CD1 4.13Å; I119-L155 HydrophobicContact CB-CD2 4.37Å; I119-L155 HydrophobicContact CG2-CD1 3.94Å; I119-L155 HydrophobicContact CG2-CD2 3.62Å; I119-L155 HydrophobicContact CG2-CG 4.45Å; A120-L155 HydrophobicContact CB-CD1 3.86Å; L123-L155 HydrophobicContact CD1-CD1 4.3Å; L123-L155 HydrophobicContact CD1-CD2 4.32Å; I142-L155 HydrophobicContact CD1-CB 4.26Å; I142-L155 HydrophobicContact CD1-CD2 4.02Å; I142-L155 HydrophobicContact CD1-CG 3.82Å; I142-L155 HydrophobicContact CG1-CD2 4.27Å; I142-L155 HydrophobicContact CG2-CD2 4.06Å; V151-L155 VanDerWaalsContact O-CB 3.29Å; V151-L155 WeakPolarHBondContact O-CB 3.33Å; V151-L155 PolarHBondContact O-N 3.31Å; A152-L155 PolarHBondContact O-N 3.02Å; R153-L155 VanDerWaalsContact C-N 3.3Å; R153-L155 PolarHBondContact O-N 3.38Å; L155-R157 VanDerWaalsContact C-N 3.26Å; L155-R157 PolarHBondContact O-N 3.39Å; L155-A158 PolarHBondContact O-N 3.3Å; L155-L159 HydrophobicContact CD1-CD1 3.8Å; L155-L159 HydrophobicContact CD1-CG 3.94Å; L155-L159 HydrophobicContact CG-CD1 3.95Å; L155-L159 HydrophobicContact CG-CG 4.42Å; L155-L159 WeakPolarHBondContact O-CB 3.24Å; L155-L159 WeakPolarHBondContact O-CG 3.46Å; L155-L159 PolarHBondContact O-N 2.89Å
156A95.2Very high85.7Confident0 Ų033.9 Ų33.90%024%0.235CC..Hα-helixtrans-57.4-42.1176.900000111.5I142 A152 R153 S160 V170 V173 L266I142-A156 HydrophobicContact CD1-CB 3.77Å; A152-A156 WeakPolarHBondContact O-CB 3.35Å; A152-A156 PolarHBondContact O-N 3.01Å; R153-A156 PolarHBondContact O-N 3.24Å; A156-S160 VanDerWaalsContact O-CB 3.29Å; A156-S160 WeakPolarHBondContact O-CB 3.4Å; A156-S160 PolarHBondContact O-N 2.86Å; A156-S160 PolarHBondContact O-OG 2.84Å; A156-V170 HydrophobicContact CB-CG1 4.28Å; A156-V173 HydrophobicContact CB-CG2 3.74Å; A156-L266 HydrophobicContact CB-CD1 4.09Å; A156-L266 HydrophobicContact CB-CD2 3.9Å
157R92.2Very high84.9Confident42 Ų4234.1 Ų34.116%0.15824%0.235CC..Hα-helixtrans-64.8-53.9176-66.8176.870.7139.78.4111.9R153 H154 L155 L159 S160 T161 Q261 S264 L266R153-R157 WeakPolarHBondContact O-CG 3.06Å; R153-R157 PolarHBondContact O-N 3.13Å; R153-R157 VanDerWaalsContact O-N 3.15Å; H154-R157 PolarHBondContact O-N 2.87Å; L155-R157 VanDerWaalsContact C-N 3.26Å; L155-R157 PolarHBondContact O-N 3.39Å; R157-L159 PolarHBondContact O-N 3.32Å; R157-S160 WeakPolarHBondContact O-CA 3.49Å; R157-S160 PolarHBondContact O-N 2.98Å; R157-T161 WeakPolarHBondContact O-CG2 3.2Å; R157-T161 PolarHBondContact O-N 3.01Å; R157-T161 PolarHBondContact O-OG1 3.25Å; R157-T161 VanDerWaalsContact O-OG1 3.05Å; R157-Q261 PolarHBondContact NH1-O 2.89Å; R157-Q261 VanDerWaalsContact NH2-OE1 3.13Å; R157-S264 VanDerWaalsContact NH1-CB 3.33Å; R157-S264 PolarHBondContact NH2-OG 3.39Å; R157-S264 VanDerWaalsContact NH2-OG 3.09Å; R157-L266 HydrophobicContact CB-CD2 4.49Å; R157-L266 HydrophobicContact CG-CD2 3.48Å; R157-L266 VanDerWaalsContact CG-CD2 3.48Å; R157-L266 HydrophobicContact CG-CG 4.49Å
158A91.5Very high84.5Confident29 Ų2934.3 Ų34.324%0.2424%0.236CC..Hα-helixtrans-56-41.7-177.700000111.6A120 H154 L155 T161 S162A120-A158 HydrophobicContact CB-CB 4.49Å; H154-A158 WeakPolarHBondContact O-CB 3.48Å; H154-A158 PolarHBondContact O-N 3.18Å; L155-A158 PolarHBondContact O-N 3.3Å; A158-T161 PolarHBondContact O-OG1 2.99Å; A158-S162 WeakPolarHBondContact O-CB 3.41Å; A158-S162 PolarHBondContact O-N 3.03Å; A158-S162 VanDerWaalsContact O-N 3.08Å; A158-S162 PolarHBondContact O-OG 2.69Å
159L92.2Very high84.3Confident16 Ų1638.6 Ų38.68%0.08426%0.257CS..Hα-helixtrans-74.3-24177.1-66.7179.8000113.6A120 L123 T124 L140 I142 L155 R157 V168 V170A120-L159 HydrophobicContact CB-CD2 3.95Å; A120-L159 HydrophobicContact CB-CG 4.49Å; L123-L159 HydrophobicContact CD1-CD1 4.11Å; T124-L159 HydrophobicContact CG2-CD2 3.46Å; T124-L159 VanDerWaalsContact CG2-CD2 3.46Å; L140-L159 HydrophobicContact CD2-CD1 4.14Å; I142-L159 HydrophobicContact CD1-CD1 4.34Å; L155-L159 HydrophobicContact CD1-CD1 3.8Å; L155-L159 HydrophobicContact CD1-CG 3.94Å; L155-L159 HydrophobicContact CG-CD1 3.95Å; L155-L159 HydrophobicContact CG-CG 4.42Å; L155-L159 WeakPolarHBondContact O-CB 3.24Å; L155-L159 WeakPolarHBondContact O-CG 3.46Å; L155-L159 PolarHBondContact O-N 2.89Å; R157-L159 PolarHBondContact O-N 3.32Å; L159-V168 HydrophobicContact CD1-CG2 4.47Å; L159-V168 HydrophobicContact CD2-CG2 4.12Å; L159-V170 HydrophobicContact CB-CG2 3.35Å; L159-V170 HydrophobicContact CD1-CG2 4.19Å; L159-V170 HydrophobicContact CG-CG2 4.44Å
160S88.9Confident84.1Confident53 Ų5339.4 Ų39.437%0.37126%0.261SS..Hα-helixtrans-83.2-31.6176.1-58.70000112.9A156 R157 Q268A156-S160 VanDerWaalsContact O-CB 3.29Å; A156-S160 WeakPolarHBondContact O-CB 3.4Å; A156-S160 PolarHBondContact O-N 2.86Å; A156-S160 PolarHBondContact O-OG 2.84Å; R157-S160 WeakPolarHBondContact O-CA 3.49Å; R157-S160 PolarHBondContact O-N 2.98Å; S160-Q268 PolarHBondContact OG-NE2 3.37Å
161T81.6Confident84.1Confident111 Ų11139.3 Ų39.368%0.68127%0.265SS*.Hα-helixtrans-86.8-30.3-179.353.80000113R157 A158 A163R157-T161 WeakPolarHBondContact O-CG2 3.2Å; R157-T161 PolarHBondContact O-N 3.01Å; R157-T161 PolarHBondContact O-OG1 3.25Å; R157-T161 VanDerWaalsContact O-OG1 3.05Å; A158-T161 PolarHBondContact O-OG1 2.99Å; T161-A163 PolarHBondContact O-N 3.14Å
162S68Low84.1Confident77 Ų7740.6 Ų40.654%0.53827%0.271SS..  trans-69.4100.1178.7-71.60000109.8A158 G164A158-S162 WeakPolarHBondContact O-CB 3.41Å; A158-S162 PolarHBondContact O-N 3.03Å; A158-S162 VanDerWaalsContact O-N 3.08Å; A158-S162 PolarHBondContact O-OG 2.69Å; S162-G164 PolarHBondContact O-N 2.78Å
163A49.9Very low84.1Confident105 Ų10540.6 Ų40.687%0.86827%0.271SS*.  trans-61.8-4.9168.100000113.4T161T161-A163 PolarHBondContact O-N 3.14Å
164G47.3Very low84.2Confident59 Ų5940.4 Ų40.461%0.60827%0.27SS*.SBendtrans-68.6-48.1-153.300000116.9S162S162-G164 PolarHBondContact O-N 2.78Å
165D59.2Low84.4Confident96 Ų9639.1 Ų39.151%0.51326%0.264SS..  trans-124.4-10.9-169.5-69.9-53.7000114.8Q167D165-Q167 HydrophobicContact CB-CG 4.04Å; D165-Q167 WeakPolarHBondContact O-CG 2.89Å; D165-Q167 PolarHBondContact O-N 2.9Å
166G66.7Low84.5Confident47 Ų4739.1 Ų39.149%0.48526%0.264SS..  trans56.66.7177.900000115.1R137 V168R137-G166 VanDerWaalsContact CB-O 3.28Å; R137-G166 WeakPolarHBondContact CB-O 3.4Å; R137-G166 WeakPolarHBondContact CD-O 3.38Å; R137-G166 WeakPolarHBondContact CG-O 3.29Å; G166-V168 VanDerWaalsContact C-N 3.34Å
167Q79.9Confident84.6Confident22 Ų2239.1 Ų39.110%0.10326%0.264CS..  trans-75.2-26.2-173-67.8-167.5-27.800112.6G126 R137 R138 D165G126-Q167 VanDerWaalsContact C-NE2 3.26Å; R137-Q167 CarbonylContact C-O 3.49Å; R137-Q167 WeakPolarHBondContact CA-O 3.36Å; R138-Q167 PolarHBondContact N-O 2.78Å; D165-Q167 HydrophobicContact CB-CG 4.04Å; D165-Q167 WeakPolarHBondContact O-CG 2.89Å; D165-Q167 PolarHBondContact O-N 2.9Å
168V89.4Confident84.8Confident10 Ų1037.1 Ų37.16%0.06126%0.257CS..EExtended strand (participates in β ladder)trans-127.5147.9179.8-610000111T124 R137 R138 L140 L159 G166T124-V168 HydrophobicContact CG2-CG2 4.05Å; R137-V168 PolarHBondContact NE-O 3.05Å; R138-V168 CarbonylContact O-C 3.59Å; R138-V168 VanDerWaalsContact O-CA 3.29Å; R138-V168 WeakPolarHBondContact O-CA 3.5Å; L140-V168 HydrophobicContact CB-CB 4.25Å; L140-V168 HydrophobicContact CD1-CB 4.27Å; L140-V168 HydrophobicContact CD1-CG1 3.93Å; L159-V168 HydrophobicContact CD1-CG2 4.47Å; L159-V168 HydrophobicContact CD2-CG2 4.12Å; G166-V168 VanDerWaalsContact C-N 3.34Å
169E92.2Very high84.9Confident91 Ų9136 Ų3643%0.42525%0.247SC..EExtended strand (participates in β ladder)trans-118.9115.3169.7-179.5153.5-13200107.9R137 R138 L140 G171R137-E169 HydrophobicContact CG-CB 4.18Å; R137-E169 VanDerWaalsContact CZ-CD 3.47Å; R137-E169 IonicContact CZ-OE1 3.63Å; R137-E169 IonicContact CZ-OE2 3.91Å; R137-E169 IonicContact NH1-OE1 3.42Å; R137-E169 PolarHBondContact NH1-OE1 2.74Å; R137-E169 IonicContact NH1-OE2 2.66Å; R137-E169 PolarHBondContact NH1-OE2 3.45Å; R137-E169 IonicContact NH2-OE1 3.69Å; R137-E169 PolarHBondContact NH2-OE1 3.49Å; R138-E169 PolarHBondContact O-N 3.34Å; L140-E169 PolarHBondContact N-O 2.84Å; E169-G171 PolarHBondContact O-N 2.99Å; E169-G171 VanDerWaalsContact O-N 3.07Å
170V94.7Very high84.9Confident17 Ų1736 Ų3610%0.10325%0.246CC..EExtended strand (participates in β ladder)trans-70.7108.6176.6-170.30000108.4L140 I142 A156 L159 V173 Q268L140-V170 CarbonylContact O-C 3.34Å; L140-V170 WeakPolarHBondContact O-CA 3.49Å; I142-V170 HydrophobicContact CD1-CG1 4.03Å; A156-V170 HydrophobicContact CB-CG1 4.28Å; L159-V170 HydrophobicContact CB-CG2 3.35Å; L159-V170 HydrophobicContact CD1-CG2 4.19Å; L159-V170 HydrophobicContact CG-CG2 4.44Å; V170-V173 HydrophobicContact CG1-CG2 4.35Å; V170-Q268 HydrophobicContact CB-CG 4.43Å; V170-Q268 HydrophobicContact CG1-CG 3.91Å
171G95.1Very high85Confident18 Ų1833.5 Ų33.519%0.18623%0.23CC..EExtended strand (participates in β ladder)trans-81.9-102175.200000111.2L140 E169 Q268L140-G171 PolarHBondContact O-N 2.83Å; E169-G171 PolarHBondContact O-N 2.99Å; E169-G171 VanDerWaalsContact O-N 3.07Å; G171-Q268 WeakPolarHBondContact O-CB 3.19Å; G171-Q268 WeakPolarHBondContact O-CG 3.5Å
172K97.4Very high85.4Confident27 Ų2729.1 Ų29.112%0.11720%0.201CC..EExtended strand (participates in β ladder)trans-99.1148.6-175.6-62.6172.4-177.7166.10112.7H141 I142 E269 F324 L325 L326H141-K172 VanDerWaalsContact CA-O 3.28Å; H141-K172 WeakPolarHBondContact CA-O 3.42Å; H141-K172 PolarHBondContact ND1-N 2.83Å; I142-K172 PolarHBondContact N-O 2.66Å; K172-E269 WeakPolarHBondContact CE-OE2 3.12Å; K172-E269 HydrophobicContact CG-CB 4.44Å; K172-F324 HydrophobicContact CB-CD1 4.45Å; K172-F324 HydrophobicContact CB-CE1 3.66Å; K172-F324 HydrophobicContact CB-CZ 4.03Å; K172-F324 HydrophobicContact CD-CD1 4.35Å; K172-F324 HydrophobicContact CD-CE1 4.12Å; K172-F324 HydrophobicContact CD-CZ 4.24Å; K172-F324 WeakPolarHBondContact CD-O 3.36Å; K172-F324 WeakPolarHBondContact CE-O 3.4Å; K172-F324 HydrophobicContact CG-CE1 4.23Å; K172-F324 HydrophobicContact CG-CZ 4.23Å; K172-F324 PolarHBondContact NZ-O 3.46Å; K172-L325 HydrophobicContact CB-CD2 4.07Å; K172-L325 PolarHBondContact NZ-O 3.36Å; K172-L326 PolarHBondContact NZ-O 3.49Å
173V98.2Very high86.5Confident0 Ų025.7 Ų25.70%018%0.178CC..EExtended strand (participates in β ladder)trans-118.9135.2176.6-177.70000109.9I142 A156 V170 L175 Q268 E269 I270 L271I142-V173 CarbonylContact O-C 3.52Å; I142-V173 WeakPolarHBondContact O-CA 3.26Å; A156-V173 HydrophobicContact CB-CG2 3.74Å; V170-V173 HydrophobicContact CG1-CG2 4.35Å; V173-L175 HydrophobicContact CG1-CD2 3.97Å; V173-L175 HydrophobicContact CG1-CG 4.3Å; V173-Q268 HydrophobicContact CG2-CB 4.06Å; V173-Q268 HydrophobicContact CG2-CG 4.22Å; V173-E269 PolarHBondContact N-O 3.01Å; V173-I270 CarbonylContact O-C 3.54Å; V173-I270 VanDerWaalsContact O-CA 3.29Å; V173-I270 WeakPolarHBondContact O-CA 3.27Å; V173-L271 PolarHBondContact O-N 3.36Å
174V98.6Very high88.1Confident0 Ų024 Ų240%016%0.164CC..EExtended strand (participates in β ladder)trans-124.6127.6177.4-171.40000109.7I142 V143 G144 L271 I273 L321 F324 L325I142-V174 PolarHBondContact O-N 3.34Å; V143-V174 WeakPolarHBondContact CA-O 3.36Å; V143-V174 HydrophobicContact CB-CB 4.26Å; V143-V174 HydrophobicContact CG1-CB 4.04Å; V143-V174 HydrophobicContact CG1-CG1 4.28Å; V143-V174 HydrophobicContact CG2-CB 4Å; V143-V174 HydrophobicContact CG2-CG2 4.06Å; G144-V174 PolarHBondContact N-O 2.95Å; V174-L271 CarbonylContact C-O 3.6Å; V174-L271 VanDerWaalsContact CA-O 3.27Å; V174-L271 WeakPolarHBondContact CA-O 3.29Å; V174-L271 HydrophobicContact CG1-CB 4.23Å; V174-L271 HydrophobicContact CG1-CD2 4.12Å; V174-L271 HydrophobicContact CG1-CG 4.27Å; V174-L271 HydrophobicContact CG2-CB 4.24Å; V174-I273 HydrophobicContact CG1-CD1 3.88Å; V174-I273 HydrophobicContact CG1-CG1 4.12Å; V174-L321 HydrophobicContact CB-CD1 4.24Å; V174-L321 HydrophobicContact CG1-CD1 4.03Å; V174-L321 HydrophobicContact CG2-CD1 3.75Å; V174-F324 HydrophobicContact CG2-CD1 3.65Å; V174-F324 HydrophobicContact CG2-CE1 3.68Å; V174-L325 HydrophobicContact CG2-CD2 4.01Å
175L98.3Very high90.2Very high1 Ų126.3 Ų26.31%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-118.8115.3-178.9-54.6177.2000108.3G149 A152 V173 L180 I270 L271 I272 I273 L293G149-L175 WeakPolarHBondContact O-CD2 3.49Å; A152-L175 HydrophobicContact CB-CD2 4.16Å; V173-L175 HydrophobicContact CG1-CD2 3.97Å; V173-L175 HydrophobicContact CG1-CG 4.3Å; L175-L180 HydrophobicContact CD1-CD1 3.71Å; L175-L180 HydrophobicContact CD1-CG 4.36Å; L175-I270 HydrophobicContact CD1-CG2 4.06Å; L175-I270 HydrophobicContact CG-CG2 4.24Å; L175-L271 PolarHBondContact N-O 2.98Å; L175-I272 CarbonylContact O-C 3.51Å; L175-I272 VanDerWaalsContact O-CA 3.32Å; L175-I272 WeakPolarHBondContact O-CA 3.18Å; L175-I273 PolarHBondContact O-N 2.93Å; L175-L293 HydrophobicContact CD1-CD1 3.75Å
176C98.3Very high91.9Very high0 Ų023 Ų230%014%0.141CC..EExtended strand (participates in β ladder)trans-111.1118.6-175.3-51.70000110.2G144 T145 S146 A178 I273 F317G144-C176 PolarHBondContact O-N 3.41Å; T145-C176 CarbonylContact C-O 3.53Å; T145-C176 WeakPolarHBondContact CA-O 3.35Å; T145-C176 PolarHBondContact OG1-O 3.05Å; S146-C176 PolarHBondContact N-O 3.24Å; C176-A178 PolarHBondContact O-N 2.68Å; C176-I273 CarbonylContact C-O 3.57Å; C176-I273 VanDerWaalsContact CA-O 3.29Å; C176-I273 WeakPolarHBondContact CA-O 3.44Å; C176-F317 HydrophobicContact CB-CE2 4.15Å; C176-F317 HydrophobicContact CB-CZ 4.42Å; C176-F317 VanDerWaalsContact SG-CE2 3.56Å; C176-F317 WeakPolarHBondContact SG-CZ 3.47Å
177D97.6Very high93.1Very high0 Ų023.3 Ų23.30%013%0.132CC..SBendtrans51.843.7174.8-49.4-73000111.4S146 I273 W274 G275 F281 H307S146-D177 VanDerWaalsContact CA-O 3.26Å; S146-D177 WeakPolarHBondContact CA-O 3.31Å; D177-I273 PolarHBondContact N-O 3.02Å; D177-W274 VanDerWaalsContact OD1-CA 3.31Å; D177-W274 WeakPolarHBondContact OD1-CA 3.45Å; D177-G275 PolarHBondContact OD1-N 2.73Å; D177-F281 VanDerWaalsContact O-CD2 3.27Å; D177-F281 WeakPolarHBondContact O-CD2 3.34Å; D177-F281 WeakPolarHBondContact O-CE2 3.35Å; D177-H307 WeakPolarHBondContact CB-O 3.22Å; D177-H307 PolarHBondContact O-CE1 2.99Å
178A96.6Very high93.8Very high0 Ų025.4 Ų25.40%015%0.152CC..  trans-122.8107.5-170.700000110.8S146 C176 L180 W274S146-A178 VanDerWaalsContact O-CB 3.31Å; S146-A178 WeakPolarHBondContact O-CB 3.23Å; C176-A178 PolarHBondContact O-N 2.68Å; A178-L180 PolarHBondContact O-N 3.11Å; A178-L180 VanDerWaalsContact O-N 3.14Å; A178-W274 WeakPolarHBondContact O-CH2 3.36Å; A178-W274 WeakPolarHBondContact O-CZ3 3.49Å
179D94Very high94Very high7 Ų727.7 Ų27.74%0.03717%0.173CC..  trans-80.793.7179.3-169.915.4000111.8A181 W274 F281 K285D179-A181 VanDerWaalsContact OD1-C 3.32Å; D179-A181 WeakPolarHBondContact OD1-CA 3.48Å; D179-A181 PolarHBondContact OD1-N 3.45Å; D179-W274 HydrophobicContact CB-CH2 4.38Å; D179-F281 HydrophobicContact CB-CB 4.23Å; D179-F281 HydrophobicContact CB-CD1 3.9Å; D179-F281 HydrophobicContact CB-CD2 4.03Å; D179-F281 HydrophobicContact CB-CE1 4.26Å; D179-F281 HydrophobicContact CB-CE2 4.36Å; D179-F281 HydrophobicContact CB-CG 3.81Å; D179-F281 HydrophobicContact CB-CZ 4.48Å; D179-K285 IonicContact OD1-NZ 3.81Å; D179-K285 WeakPolarHBondContact OD2-CD 3.31Å; D179-K285 VanDerWaalsContact OD2-CE 3.24Å; D179-K285 WeakPolarHBondContact OD2-CE 3.16Å; D179-K285 IonicContact OD2-NZ 3.11Å; D179-K285 PolarHBondContact OD2-NZ 3.22Å
180L91.7Very high94.2Very high14 Ų1423.9 Ų23.97%0.07316%0.155CC..SBendtrans-73.6-19.9171.1-50.6-169.7000112.3L150 L175 A178 K182 L262 V289 M292 L293L150-L180 HydrophobicContact CD2-CD2 3.36Å; L175-L180 HydrophobicContact CD1-CD1 3.71Å; L175-L180 HydrophobicContact CD1-CG 4.36Å; A178-L180 PolarHBondContact O-N 3.11Å; A178-L180 VanDerWaalsContact O-N 3.14Å; L180-K182 VanDerWaalsContact C-N 3.33Å; L180-K182 PolarHBondContact O-N 3.47Å; L180-L262 WeakPolarHBondContact O-CD1 3.4Å; L180-V289 HydrophobicContact CB-CG1 4.27Å; L180-V289 HydrophobicContact CB-CG2 4.05Å; L180-V289 HydrophobicContact CD1-CG1 3.89Å; L180-V289 HydrophobicContact CG-CG1 3.89Å; L180-V289 HydrophobicContact CG-CG2 4.34Å; L180-M292 HydrophobicContact CB-CE 4.03Å; L180-M292 HydrophobicContact CB-SD 3.99Å; L180-L293 HydrophobicContact CD1-CD1 3.98Å; L180-L293 HydrophobicContact CD1-CD2 3.97Å; L180-L293 HydrophobicContact CD1-CG 4.2Å
181A89.8Confident94.2Very high2 Ų223.3 Ų23.32%0.01715%0.152CC..SBendtrans-102.842.4-173.100000110.3D179 G183 K285 K288 V289 M292D179-A181 VanDerWaalsContact OD1-C 3.32Å; D179-A181 WeakPolarHBondContact OD1-CA 3.48Å; D179-A181 PolarHBondContact OD1-N 3.45Å; A181-G183 PolarHBondContact O-N 3.29Å; A181-K285 PolarHBondContact O-NZ 3.44Å; A181-K288 HydrophobicContact CB-CB 4.1Å; A181-V289 HydrophobicContact CB-CG2 4.23Å; A181-M292 VanDerWaalsContact CA-CE 3.48Å; A181-M292 HydrophobicContact CB-CE 3.36Å
182K91.4Very high94.2Very high18 Ų1826 Ų268%0.07817%0.173CC..  trans-67.9114.5-175.4-179.5175.117438.40109.8L180 D186 D187 I253 T255 E256L180-K182 VanDerWaalsContact C-N 3.33Å; L180-K182 PolarHBondContact O-N 3.47Å; K182-D186 HydrophobicContact CG-CB 4.49Å; K182-D187 WeakPolarHBondContact CE-OD1 3.34Å; K182-D187 WeakPolarHBondContact CE-OD2 3.45Å; K182-D187 IonicContact NZ-OD1 2.65Å; K182-D187 PolarHBondContact NZ-OD1 2.94Å; K182-D187 IonicContact NZ-OD2 3.63Å; K182-D187 PolarHBondContact NZ-OD2 3.35Å; K182-I253 HydrophobicContact CD-CG2 3.85Å; K182-T255 CarbonylContact O-C 3.58Å; K182-T255 WeakPolarHBondContact O-CA 3.48Å; K182-T255 VanDerWaalsContact O-CB 3.26Å; K182-T255 WeakPolarHBondContact O-CB 3.41Å; K182-E256 PolarHBondContact O-N 3.09Å
183G89.6Confident94Very high5 Ų529.6 Ų29.65%0.05219%0.188CC..  trans-86.4166.617100000112.5A181 E185 D186A181-G183 PolarHBondContact O-N 3.29Å; G183-E185 PolarHBondContact O-N 3.43Å; G183-D186 WeakPolarHBondContact CA-OD2 3.48Å; G183-D186 PolarHBondContact N-OD2 3.15Å; G183-D186 PolarHBondContact O-N 3.16Å
184A85Confident93.8Very high70 Ų7029.8 Ų29.858%0.57919%0.19SC*.Hα-helixtrans-63.8-26.7178.100000113.2
185E91.1Very high93.5Very high108 Ų10832 Ų3251%0.50521%0.213SC..Hα-helixtrans-79.3-23.1-179.577.7-79-164.100113.6G183 D187 A188 A189G183-E185 PolarHBondContact O-N 3.43Å; E185-D187 VanDerWaalsContact C-N 3.32Å; E185-D187 PolarHBondContact O-N 3.16Å; E185-A188 PolarHBondContact O-N 3.15Å; E185-A189 WeakPolarHBondContact O-CB 3.49Å; E185-A189 PolarHBondContact O-N 3.46Å
186D93.5Very high93.3Very high26 Ų2633.2 Ų33.214%0.13922%0.221CC..Hα-helixtrans-65.6-36.1-171.1-68.1-55.4000112.4K182 G183 A189 L190 K285K182-D186 HydrophobicContact CG-CB 4.49Å; G183-D186 WeakPolarHBondContact CA-OD2 3.48Å; G183-D186 PolarHBondContact N-OD2 3.15Å; G183-D186 PolarHBondContact O-N 3.16Å; D186-A189 PolarHBondContact O-N 3.37Å; D186-L190 VanDerWaalsContact O-CB 3.22Å; D186-L190 WeakPolarHBondContact O-CB 3.42Å; D186-L190 PolarHBondContact O-N 2.96Å; D186-K285 WeakPolarHBondContact OD1-CE 3.36Å; D186-K285 IonicContact OD1-NZ 2.89Å; D186-K285 PolarHBondContact OD1-NZ 2.97Å; D186-K285 IonicContact OD2-NZ 3.1Å; D186-K285 PolarHBondContact OD2-NZ 2.72Å
187D93.4Very high93Very high54 Ų5437.2 Ų37.229%0.28925%0.254SS..Hα-helixtrans-66.2-42.3177-80.8-19.5000111.7K182 E185 L190 A191 V199K182-D187 WeakPolarHBondContact CE-OD1 3.34Å; K182-D187 WeakPolarHBondContact CE-OD2 3.45Å; K182-D187 IonicContact NZ-OD1 2.65Å; K182-D187 PolarHBondContact NZ-OD1 2.94Å; K182-D187 IonicContact NZ-OD2 3.63Å; K182-D187 PolarHBondContact NZ-OD2 3.35Å; E185-D187 VanDerWaalsContact C-N 3.32Å; E185-D187 PolarHBondContact O-N 3.16Å; D187-L190 PolarHBondContact O-N 3.27Å; D187-A191 WeakPolarHBondContact O-CB 3.2Å; D187-A191 PolarHBondContact O-N 3.35Å; D187-V199 HydrophobicContact CB-CB 4.13Å; D187-V199 HydrophobicContact CB-CG1 4.02Å; D187-V199 WeakPolarHBondContact OD1-CG1 3.1Å
188A93.7Very high92.8Very high65 Ų6541.6 Ų41.654%0.53727%0.274SS..Hα-helixtrans-66.1-42.2177.400000111E185 A191 A192E185-A188 PolarHBondContact O-N 3.15Å; A188-A191 PolarHBondContact O-N 3.37Å; A188-A192 VanDerWaalsContact O-CB 3.27Å; A188-A192 WeakPolarHBondContact O-CB 3.45Å; A188-A192 PolarHBondContact O-N 3.01Å
189A94.8Very high92.7Very high59 Ų5942.2 Ų42.249%0.48828%0.278SS..Hα-helixtrans-63-45176.900000111.8E185 D186 A192 K193E185-A189 WeakPolarHBondContact O-CB 3.49Å; E185-A189 PolarHBondContact O-N 3.46Å; D186-A189 PolarHBondContact O-N 3.37Å; A189-A192 PolarHBondContact O-N 2.88Å; A189-K193 WeakPolarHBondContact O-CB 3.47Å; A189-K193 PolarHBondContact O-N 3.1Å
190L95Very high92.7Very high11 Ų1142.3 Ų42.36%0.05828%0.279CS..Hα-helixtrans-68.1-41.5178.7-177.753.2000111.9D186 D187 K193 G194 V199 L202 M203 L217 I280D186-L190 VanDerWaalsContact O-CB 3.22Å; D186-L190 WeakPolarHBondContact O-CB 3.42Å; D186-L190 PolarHBondContact O-N 2.96Å; D187-L190 PolarHBondContact O-N 3.27Å; L190-K193 PolarHBondContact O-N 2.79Å; L190-G194 PolarHBondContact O-N 3.44Å; L190-V199 HydrophobicContact CB-CG2 4.39Å; L190-V199 HydrophobicContact CD2-CG2 3.73Å; L190-V199 HydrophobicContact CG-CG2 4.09Å; L190-L202 HydrophobicContact CD1-CD2 3.8Å; L190-L202 HydrophobicContact CG-CD2 3.94Å; L190-M203 HydrophobicContact CD2-CE 3.97Å; L190-M203 HydrophobicContact CG-CE 4.41Å; L190-L217 HydrophobicContact CD1-CD1 4.45Å; L190-I280 HydrophobicContact CD1-CD1 3.99Å; L190-I280 HydrophobicContact CD2-CG2 4.01Å
191A94.8Very high92.8Very high5 Ų545.5 Ų45.54%0.04129%0.293CS..Hα-helixtrans-60.7-46174.100000111.7D187 A188 K193 G194 G195 V196D187-A191 WeakPolarHBondContact O-CB 3.2Å; D187-A191 PolarHBondContact O-N 3.35Å; A188-A191 PolarHBondContact O-N 3.37Å; A191-K193 PolarHBondContact O-N 3.09Å; A191-G194 CarbonylContact O-C 3.56Å; A191-G194 PolarHBondContact O-N 2.98Å; A191-G195 PolarHBondContact O-N 2.9Å; A191-V196 CarbonylContact C-O 3.51Å; A191-V196 HydrophobicContact CB-CG2 4.09Å; A191-V196 WeakPolarHBondContact O-CG2 3.41Å; A191-V196 PolarHBondContact O-N 2.85Å
192A95.6Very high93Very high75 Ų7545.4 Ų45.462%0.6229%0.293SS*.Hα-helixtrans-60.7-44.4176.700000111.8A188 A189 G194 G195A188-A192 VanDerWaalsContact O-CB 3.27Å; A188-A192 WeakPolarHBondContact O-CB 3.45Å; A188-A192 PolarHBondContact O-N 3.01Å; A189-A192 PolarHBondContact O-N 2.88Å; A192-G194 VanDerWaalsContact C-N 3.32Å; A192-G194 PolarHBondContact O-N 3.28Å; A192-G195 PolarHBondContact O-N 2.95Å
193K93.7Very high93.1Very high101 Ų10146 Ų4644%0.43930%0.296SS..Hα-helixtrans-64.2-36.4176.5-164.6178.1-173173.50112.6A189 L190 A191 G195 L217 Q279A189-K193 WeakPolarHBondContact O-CB 3.47Å; A189-K193 PolarHBondContact O-N 3.1Å; L190-K193 PolarHBondContact O-N 2.79Å; A191-K193 PolarHBondContact O-N 3.09Å; K193-G195 VanDerWaalsContact C-N 3.26Å; K193-G195 PolarHBondContact O-N 2.95Å; K193-L217 HydrophobicContact CD-CD2 3.93Å; K193-L217 HydrophobicContact CG-CD2 3.8Å; K193-Q279 WeakPolarHBondContact CD-O 3.33Å; K193-Q279 VanDerWaalsContact CE-OE1 3.25Å; K193-Q279 PolarHBondContact NZ-O 3.48Å
194G92.6Very high93.3Very high4 Ų445.9 Ų45.94%0.04129%0.294CS..Hα-helixtrans-73.5-13.3171.900000114.5L190 A191 A192 V196 R213L190-G194 PolarHBondContact O-N 3.44Å; A191-G194 CarbonylContact O-C 3.56Å; A191-G194 PolarHBondContact O-N 2.98Å; A192-G194 VanDerWaalsContact C-N 3.32Å; A192-G194 PolarHBondContact O-N 3.28Å; G194-V196 VanDerWaalsContact C-N 3.35Å; G194-R213 WeakPolarHBondContact O-CD 3.35Å; G194-R213 PolarHBondContact O-NH1 2.83Å
195G93.3Very high93.7Very high47 Ų4742.6 Ų42.649%0.48527%0.267SS..THydrogen-bonded Turntrans61.142.5-173.500000112.4A191 A192 K193 R213A191-G195 PolarHBondContact O-N 2.9Å; A192-G195 PolarHBondContact O-N 2.95Å; K193-G195 VanDerWaalsContact C-N 3.26Å; K193-G195 PolarHBondContact O-N 2.95Å; G195-R213 PolarHBondContact O-NH1 2.85Å
196V93Very high93.8Very high26 Ų2640.9 Ų40.916%0.15827%0.271CS..SBendtrans-126.9163.7178.1-64.60000110.5A191 G194 E198 E201 L202A191-V196 CarbonylContact C-O 3.51Å; A191-V196 HydrophobicContact CB-CG2 4.09Å; A191-V196 WeakPolarHBondContact O-CG2 3.41Å; A191-V196 PolarHBondContact O-N 2.85Å; G194-V196 VanDerWaalsContact C-N 3.35Å; V196-E198 VanDerWaalsContact CG2-O 3.27Å; V196-E198 WeakPolarHBondContact CG2-O 3.19Å; V196-E201 HydrophobicContact CB-CB 3.96Å; V196-E201 WeakPolarHBondContact CB-OE2 3.27Å; V196-E201 HydrophobicContact CG1-CB 4.17Å; V196-E201 HydrophobicContact CG2-CB 4.31Å; V196-L202 HydrophobicContact CG2-CB 3.84Å
197A92.8Very high93.8Very high84 Ų8443.6 Ų43.669%0.69429%0.286SS*.SBendtrans-78.8-40.6-177.500000112.5E201A197-E201 PolarHBondContact N-OE2 3.46Å
198E93.6Very high93.7Very high93 Ų9342.3 Ų42.344%0.43529%0.286SS..SBendtrans-125147.3177.8-67.5-168.617600110.9V196 T200 E201 K251V196-E198 VanDerWaalsContact CG2-O 3.27Å; V196-E198 WeakPolarHBondContact CG2-O 3.19Å; E198-T200 PolarHBondContact O-N 3.45Å; E198-T200 VanDerWaalsContact O-N 3.09Å; E198-T200 PolarHBondContact OE2-OG1 3.33Å; E198-E201 HydrophobicContact CB-CG 4.47Å; E198-E201 WeakPolarHBondContact O-CB 3.5Å; E198-E201 PolarHBondContact O-N 2.86Å; E198-K251 IonicContact OE2-NZ 3.7Å; E198-K251 PolarHBondContact OE2-NZ 2.87Å
199V93.6Very high93.7Very high13 Ų1345.5 Ų45.58%0.07929%0.287CS..Hα-helixtrans-54.5-31174.769.20000112.4D187 L190 E201 L202 M203 I250D187-V199 HydrophobicContact CB-CB 4.13Å; D187-V199 HydrophobicContact CB-CG1 4.02Å; D187-V199 WeakPolarHBondContact OD1-CG1 3.1Å; L190-V199 HydrophobicContact CB-CG2 4.39Å; L190-V199 HydrophobicContact CD2-CG2 3.73Å; L190-V199 HydrophobicContact CG-CG2 4.09Å; V199-E201 VanDerWaalsContact C-N 3.29Å; V199-E201 PolarHBondContact O-N 3.18Å; V199-L202 WeakPolarHBondContact O-CB 3.33Å; V199-L202 PolarHBondContact O-N 3.48Å; V199-L202 VanDerWaalsContact O-N 3.09Å; V199-M203 HydrophobicContact CG2-CG 3.9Å; V199-M203 WeakPolarHBondContact O-CG 3.37Å; V199-M203 PolarHBondContact O-N 3.37Å; V199-I250 HydrophobicContact CG1-CG2 4.17Å
200T95Very high93.6Very high8 Ų843.2 Ų43.25%0.04927%0.269CS..Hα-helixtrans-66.1-30.5-179.765.40000112.6E198 L202 A204 I247 I250 K251E198-T200 PolarHBondContact O-N 3.45Å; E198-T200 VanDerWaalsContact O-N 3.09Å; E198-T200 PolarHBondContact OE2-OG1 3.33Å; T200-L202 VanDerWaalsContact C-N 3.27Å; T200-L202 PolarHBondContact O-N 2.88Å; T200-A204 WeakPolarHBondContact O-CA 3.42Å; T200-A204 WeakPolarHBondContact O-CB 3.44Å; T200-A204 PolarHBondContact O-N 3.44Å; T200-I247 HydrophobicContact CG2-CG2 4.1Å; T200-I250 HydrophobicContact CG2-CB 4.21Å; T200-I250 HydrophobicContact CG2-CG2 3.82Å; T200-K251 HydrophobicContact CG2-CG 3.92Å
201E93.4Very high93.5Very high82 Ų8243 Ų4338%0.38327%0.267SS..Hα-helixtrans-68.1-30.1174.5-64.1-178.817900111.8V196 A197 E198 V199V196-E201 HydrophobicContact CB-CB 3.96Å; V196-E201 WeakPolarHBondContact CB-OE2 3.27Å; V196-E201 HydrophobicContact CG1-CB 4.17Å; V196-E201 HydrophobicContact CG2-CB 4.31Å; A197-E201 PolarHBondContact N-OE2 3.46Å; E198-E201 HydrophobicContact CB-CG 4.47Å; E198-E201 WeakPolarHBondContact O-CB 3.5Å; E198-E201 PolarHBondContact O-N 2.86Å; V199-E201 VanDerWaalsContact C-N 3.29Å; V199-E201 PolarHBondContact O-N 3.18Å
202L93.5Very high93.4Very high0 Ų046.3 Ų46.30%028%0.279CS..Hα-helixtrans-82.8-46.6176.6-174.768.1000112L190 V196 V199 T200 P205 R213 L214 L217L190-L202 HydrophobicContact CD1-CD2 3.8Å; L190-L202 HydrophobicContact CG-CD2 3.94Å; V196-L202 HydrophobicContact CG2-CB 3.84Å; V199-L202 WeakPolarHBondContact O-CB 3.33Å; V199-L202 PolarHBondContact O-N 3.48Å; V199-L202 VanDerWaalsContact O-N 3.09Å; T200-L202 VanDerWaalsContact C-N 3.27Å; T200-L202 PolarHBondContact O-N 2.88Å; L202-P205 WeakPolarHBondContact O-CD 3.48Å; L202-R213 HydrophobicContact CD1-CB 4.18Å; L202-L214 HydrophobicContact CD1-CB 4.19Å; L202-L214 HydrophobicContact CG-CD1 4.32Å; L202-L217 HydrophobicContact CD1-CD1 4.22Å; L202-L217 HydrophobicContact CD2-CD1 3.72Å
203M93.6Very high93.3Very high30 Ų3046.9 Ų46.915%0.14826%0.264CS..Hα-helixtrans-76.6-28.9-175.4-66.8-60.2105.500113.1L190 V199 P205 L214 I250 I280L190-M203 HydrophobicContact CD2-CE 3.97Å; L190-M203 HydrophobicContact CG-CE 4.41Å; V199-M203 HydrophobicContact CG2-CG 3.9Å; V199-M203 WeakPolarHBondContact O-CG 3.37Å; V199-M203 PolarHBondContact O-N 3.37Å; M203-P205 WeakPolarHBondContact O-CD 3.21Å; M203-L214 HydrophobicContact CE-CD1 3.48Å; M203-L214 VanDerWaalsContact CE-CD1 3.48Å; M203-L214 HydrophobicContact SD-CD1 4.32Å; M203-I250 HydrophobicContact CB-CD1 3.55Å; M203-I250 HydrophobicContact CB-CG1 4.35Å; M203-I280 HydrophobicContact CE-CD1 4.07Å
204A94.1Very high93.3Very high2 Ų242.7 Ų42.72%0.01725%0.247CC..SBendtrans-118.867.517300000110.2T200 A206 R243 I247 I250T200-A204 WeakPolarHBondContact O-CA 3.42Å; T200-A204 WeakPolarHBondContact O-CB 3.44Å; T200-A204 PolarHBondContact O-N 3.44Å; A204-A206 PolarHBondContact O-N 3.04Å; A204-R243 HydrophobicContact CB-CG 4.33Å; A204-R243 VanDerWaalsContact O-CZ 3.26Å; A204-R243 PolarHBondContact O-NE 2.92Å; A204-R243 PolarHBondContact O-NH2 3.08Å; A204-I247 HydrophobicContact CB-CD1 4.47Å; A204-I247 HydrophobicContact CB-CG1 3.81Å; A204-I250 HydrophobicContact CB-CD1 4.19Å
205P94.3Very high93.3Very high1 Ų144.6 Ų44.61%0.00626%0.255CS..  trans-59.3129.7-17324.6-35.9000112L202 M203 A210 F211 L214 L235 F239L202-P205 WeakPolarHBondContact O-CD 3.48Å; M203-P205 WeakPolarHBondContact O-CD 3.21Å; P205-A210 HydrophobicContact CB-CB 3.65Å; P205-F211 HydrophobicContact CB-CB 4.08Å; P205-F211 HydrophobicContact CG-CB 4.17Å; P205-F211 HydrophobicContact CG-CD2 4.08Å; P205-L214 HydrophobicContact CG-CD2 4.1Å; P205-L235 HydrophobicContact CB-CD2 4.16Å; P205-L235 HydrophobicContact CG-CD2 4.07Å; P205-L235 WeakPolarHBondContact O-CD2 3.18Å; P205-F239 VanDerWaalsContact CD-CD1 3.43Å; P205-F239 HydrophobicContact CG-CB 4.44Å; P205-F239 HydrophobicContact CG-CD1 3.57Å; P205-F239 HydrophobicContact CG-CE1 3.82Å; P205-F239 HydrophobicContact CG-CG 3.96Å; P205-F239 HydrophobicContact CG-CZ 4.46Å
206A92.7Very high93.3Very high72 Ų7244.7 Ų44.760%0.59525%0.251SS*.  trans-86.4-20.2177.700000113A204A204-A206 PolarHBondContact O-N 3.04Å
207D93.2Very high93.4Very high84 Ų8444 Ų4445%0.44925%0.247SC..SBendtrans-142.5171.9-174.470.637.8000113.2K209 A210 F211 L235D207-K209 PolarHBondContact O-N 3Å; D207-K209 WeakPolarHBondContact OD1-CA 3.33Å; D207-K209 WeakPolarHBondContact OD1-CB 3.35Å; D207-K209 PolarHBondContact OD1-N 3.25Å; D207-A210 PolarHBondContact O-N 3.03Å; D207-A210 PolarHBondContact OD1-N 2.96Å; D207-F211 WeakPolarHBondContact O-CB 3.47Å; D207-F211 PolarHBondContact O-N 3.39Å; D207-L235 WeakPolarHBondContact O-CD1 3.36Å
208G91.9Very high93.5Very high27 Ų2740.6 Ų40.628%0.27822%0.218SC..Hα-helixtrans-62.9-28-178.500000114.1R212 L235G208-R212 WeakPolarHBondContact O-CB 3.41Å; G208-R212 WeakPolarHBondContact O-CG 3.29Å; G208-R212 PolarHBondContact O-N 3Å; G208-L235 VanDerWaalsContact N-CD1 3.31Å
209K92.2Very high93.5Very high132 Ų13237.1 Ų37.157%0.57420%0.203SC*.Hα-helixtrans-75-48.5-179.2-176.5-175.3178.6-171.90110.1D207 F211 R212 R213D207-K209 PolarHBondContact O-N 3Å; D207-K209 WeakPolarHBondContact OD1-CA 3.33Å; D207-K209 WeakPolarHBondContact OD1-CB 3.35Å; D207-K209 PolarHBondContact OD1-N 3.25Å; K209-F211 VanDerWaalsContact C-N 3.33Å; K209-F211 PolarHBondContact O-N 2.91Å; K209-R212 PolarHBondContact O-N 3.39Å; K209-R213 VanDerWaalsContact O-CG 3.31Å; K209-R213 WeakPolarHBondContact O-CG 3.48Å; K209-R213 PolarHBondContact O-N 3.3Å
210A93.2Very high93.4Very high11 Ų1138.7 Ų38.79%0.09121%0.209CC..Hα-helixtrans-60.1-43.4173.800000111P205 D207 R212 R213 L214P205-A210 HydrophobicContact CB-CB 3.65Å; D207-A210 PolarHBondContact O-N 3.03Å; D207-A210 PolarHBondContact OD1-N 2.96Å; A210-R212 PolarHBondContact O-N 3.38Å; A210-R213 WeakPolarHBondContact O-CB 3.27Å; A210-R213 PolarHBondContact O-N 3.35Å; A210-L214 PolarHBondContact O-N 2.92Å
211F93.3Very high93Very high6 Ų646.5 Ų46.53%0.02624%0.238CC..Hα-helixtrans-61.6-44.3176.5-179.8-100.9000112.9P205 D207 K209 R213 L214 M215 V231 L234 L235 F239P205-F211 HydrophobicContact CB-CB 4.08Å; P205-F211 HydrophobicContact CG-CB 4.17Å; P205-F211 HydrophobicContact CG-CD2 4.08Å; D207-F211 WeakPolarHBondContact O-CB 3.47Å; D207-F211 PolarHBondContact O-N 3.39Å; K209-F211 VanDerWaalsContact C-N 3.33Å; K209-F211 PolarHBondContact O-N 2.91Å; F211-R213 VanDerWaalsContact C-N 3.31Å; F211-R213 PolarHBondContact O-N 2.9Å; F211-L214 WeakPolarHBondContact O-CB 3.4Å; F211-L214 PolarHBondContact O-N 3.31Å; F211-M215 HydrophobicContact CD1-CG 4.18Å; F211-M215 HydrophobicContact CE1-CG 3.69Å; F211-M215 HydrophobicContact CE2-CG 4.04Å; F211-M215 HydrophobicContact CE2-SD 4.12Å; F211-M215 HydrophobicContact CZ-CG 3.6Å; F211-M215 HydrophobicContact CZ-SD 3.85Å; F211-M215 WeakPolarHBondContact O-CG 3.37Å; F211-M215 PolarHBondContact O-N 2.9Å; F211-V231 HydrophobicContact CB-CG1 4.41Å; F211-V231 HydrophobicContact CD1-CB 4.26Å; F211-V231 HydrophobicContact CD1-CG1 3.61Å; F211-V231 HydrophobicContact CD1-CG2 4.03Å; F211-V231 HydrophobicContact CE1-CG1 4.33Å; F211-V231 HydrophobicContact CE1-CG2 4.1Å; F211-V231 HydrophobicContact CG-CG1 4.32Å; F211-L234 HydrophobicContact CE1-CD1 4.16Å; F211-L234 HydrophobicContact CZ-CB 4.28Å; F211-L234 HydrophobicContact CZ-CD1 3.83Å; F211-L235 HydrophobicContact CB-CD1 4.09Å; F211-L235 HydrophobicContact CB-CD2 3.87Å; F211-L235 HydrophobicContact CB-CG 4.05Å; F211-L235 HydrophobicContact CD2-CD2 4.28Å; F211-L235 HydrophobicContact CD2-CG 4.49Å; F211-L235 HydrophobicContact CG-CD2 4.27Å; F211-L235 HydrophobicContact CG-CG 4.22Å; F211-F239 HydrophobicContact CD2-CD2 4.17Å; F211-F239 AromaticContact CD2-CE2 3.74Å; F211-F239 HydrophobicContact CD2-CE2 3.74Å; F211-F239 HydrophobicContact CD2-CZ 4.04Å; F211-F239 HydrophobicContact CE2-CD2 4.18Å; F211-F239 AromaticContact CE2-CE2 3.38Å; F211-F239 HydrophobicContact CE2-CE2 3.38Å; F211-F239 AromaticContact CE2-CZ 3.76Å; F211-F239 HydrophobicContact CE2-CZ 3.76Å; F211-F239 HydrophobicContact CZ-CE2 4.49Å
212R92.8Very high92.5Very high75 Ų7544.9 Ų44.928%0.28324%0.235SC..Hα-helixtrans-63.5-37.4176.9-76.5175.9-171.8-61.10.8112.3G208 K209 A210 M215 A216 I226 D228G208-R212 WeakPolarHBondContact O-CB 3.41Å; G208-R212 WeakPolarHBondContact O-CG 3.29Å; G208-R212 PolarHBondContact O-N 3Å; K209-R212 PolarHBondContact O-N 3.39Å; A210-R212 PolarHBondContact O-N 3.38Å; R212-M215 PolarHBondContact O-N 2.86Å; R212-A216 WeakPolarHBondContact O-CB 3.2Å; R212-A216 PolarHBondContact O-N 3.45Å; R212-I226 VanDerWaalsContact CZ-O 3.3Å; R212-I226 PolarHBondContact NH1-O 2.98Å; R212-I226 PolarHBondContact NH2-O 3.25Å; R212-D228 IonicContact CZ-OD1 3.87Å; R212-D228 IonicContact NE-OD1 2.8Å; R212-D228 IonicContact NH2-OD1 2.77Å; R212-D228 PolarHBondContact NH2-OD1 3.17Å
213R93.1Very high91.8Very high86 Ų8649.1 Ų49.133%0.32526%0.262SS..Hα-helixtrans-64.3-47.8174.3-72.7163.6166.3-160.9-7.2111.2G194 G195 L202 K209 A210 F211 M215 A216 L217G194-R213 WeakPolarHBondContact O-CD 3.35Å; G194-R213 PolarHBondContact O-NH1 2.83Å; G195-R213 PolarHBondContact O-NH1 2.85Å; L202-R213 HydrophobicContact CD1-CB 4.18Å; K209-R213 VanDerWaalsContact O-CG 3.31Å; K209-R213 WeakPolarHBondContact O-CG 3.48Å; K209-R213 PolarHBondContact O-N 3.3Å; A210-R213 WeakPolarHBondContact O-CB 3.27Å; A210-R213 PolarHBondContact O-N 3.35Å; F211-R213 VanDerWaalsContact C-N 3.31Å; F211-R213 PolarHBondContact O-N 2.9Å; R213-M215 VanDerWaalsContact C-N 3.34Å; R213-M215 PolarHBondContact O-N 3.01Å; R213-A216 PolarHBondContact O-N 3.17Å; R213-A216 VanDerWaalsContact O-N 3.16Å; R213-L217 WeakPolarHBondContact O-CG 3.29Å; R213-L217 PolarHBondContact O-N 3.34Å; R213-L217 VanDerWaalsContact O-N 3.16Å
214L94.4Very high91.1Very high13 Ų1358.3 Ų58.37%0.06830%0.301CS..Hα-helixtrans-53.9-51.9174176.463.7000110.8L202 M203 P205 A210 F211 A216 L217 C218 F239 I280L202-L214 HydrophobicContact CD1-CB 4.19Å; L202-L214 HydrophobicContact CG-CD1 4.32Å; M203-L214 HydrophobicContact CE-CD1 3.48Å; M203-L214 VanDerWaalsContact CE-CD1 3.48Å; M203-L214 HydrophobicContact SD-CD1 4.32Å; P205-L214 HydrophobicContact CG-CD2 4.1Å; A210-L214 PolarHBondContact O-N 2.92Å; F211-L214 WeakPolarHBondContact O-CB 3.4Å; F211-L214 PolarHBondContact O-N 3.31Å; L214-A216 VanDerWaalsContact C-N 3.27Å; L214-A216 PolarHBondContact O-N 2.82Å; L214-L217 PolarHBondContact O-N 2.82Å; L214-C218 PolarHBondContact O-N 3.06Å; L214-C218 PolarHBondContact O-SG 2.86Å; L214-F239 HydrophobicContact CD2-CE1 4.16Å; L214-F239 HydrophobicContact CD2-CZ 4.38Å; L214-I280 HydrophobicContact CD1-CD1 4.34Å
215M93.3Very high90.6Very high44 Ų4466 Ų6622%0.21733%0.331CS..Hα-helixtrans-61.5-33.7179.7-70.1-53.6-50.100113.5F211 R212 R213 L217 C218 V219F211-M215 HydrophobicContact CD1-CG 4.18Å; F211-M215 HydrophobicContact CE1-CG 3.69Å; F211-M215 HydrophobicContact CE2-CG 4.04Å; F211-M215 HydrophobicContact CE2-SD 4.12Å; F211-M215 HydrophobicContact CZ-CG 3.6Å; F211-M215 HydrophobicContact CZ-SD 3.85Å; F211-M215 WeakPolarHBondContact O-CG 3.37Å; F211-M215 PolarHBondContact O-N 2.9Å; R212-M215 PolarHBondContact O-N 2.86Å; R213-M215 VanDerWaalsContact C-N 3.34Å; R213-M215 PolarHBondContact O-N 3.01Å; M215-L217 VanDerWaalsContact C-N 3.26Å; M215-L217 PolarHBondContact O-N 3.45Å; M215-C218 PolarHBondContact O-N 3.24Å; M215-V219 HydrophobicContact CE-CG2 3.79Å; M215-V219 PolarHBondContact O-N 2.83Å
216A93Very high90.2Very high49 Ų4967.4 Ų67.441%0.40534%0.338SS..Hα-helixtrans-69.8-23.7176.300000113.2R212 R213 L214R212-A216 WeakPolarHBondContact O-CB 3.2Å; R212-A216 PolarHBondContact O-N 3.45Å; R213-A216 PolarHBondContact O-N 3.17Å; R213-A216 VanDerWaalsContact O-N 3.16Å; L214-A216 VanDerWaalsContact C-N 3.27Å; L214-A216 PolarHBondContact O-N 2.82Å
217L93.9Very high90Very high13 Ų1365.7 Ų65.77%0.06832%0.32CS..Hα-helixtrans-90.4-32.6174-61.1174.1000112L190 K193 L202 R213 L214 M215 Q279 I280L190-L217 HydrophobicContact CD1-CD1 4.45Å; K193-L217 HydrophobicContact CD-CD2 3.93Å; K193-L217 HydrophobicContact CG-CD2 3.8Å; L202-L217 HydrophobicContact CD1-CD1 4.22Å; L202-L217 HydrophobicContact CD2-CD1 3.72Å; R213-L217 WeakPolarHBondContact O-CG 3.29Å; R213-L217 PolarHBondContact O-N 3.34Å; R213-L217 VanDerWaalsContact O-N 3.16Å; L214-L217 PolarHBondContact O-N 2.82Å; M215-L217 VanDerWaalsContact C-N 3.26Å; M215-L217 PolarHBondContact O-N 3.45Å; L217-Q279 HydrophobicContact CB-CB 4.27Å; L217-Q279 HydrophobicContact CD2-CB 4.11Å; L217-Q279 VanDerWaalsContact CD2-OE1 3.27Å; L217-Q279 WeakPolarHBondContact O-CB 3.43Å; L217-I280 HydrophobicContact CB-CD1 3.53Å; L217-I280 HydrophobicContact CB-CG1 4.42Å; L217-I280 HydrophobicContact CD1-CD1 4.4Å
218C94.6Very high89.9Confident12 Ų1266.8 Ų66.88%0.08133%0.326CS..Hα-helixtrans-72.4-32.5-178.9-69.90000113.8L214 M215 H307 L308L214-C218 PolarHBondContact O-N 3.06Å; L214-C218 PolarHBondContact O-SG 2.86Å; M215-C218 PolarHBondContact O-N 3.24Å; C218-H307 HydrophobicContact CB-CB 4.47Å; C218-H307 WeakPolarHBondContact O-CB 3.48Å; C218-H307 PolarHBondContact O-N 2.77Å; C218-L308 HydrophobicContact CB-CD1 3.83Å; C218-L308 HydrophobicContact CB-CG 4.02Å; C218-L308 PolarHBondContact O-N 3.06Å
219V93.6Very high89.9Confident20 Ų2070.5 Ų70.512%0.12134%0.335CS..  trans-114.9129.7-171.8-176.20000108.8M215 R221 P222 L308 E312M215-V219 HydrophobicContact CE-CG2 3.79Å; M215-V219 PolarHBondContact O-N 2.83Å; V219-R221 PolarHBondContact O-N 3.35Å; V219-P222 HydrophobicContact CB-CB 4.16Å; V219-P222 HydrophobicContact CG1-CB 4.36Å; V219-P222 WeakPolarHBondContact O-CD 3.38Å; V219-L308 HydrophobicContact CG2-CD1 4.02Å; V219-E312 HydrophobicContact CG1-CG 4.03Å; V219-E312 VanDerWaalsContact CG1-OE2 3.25Å; V219-E312 WeakPolarHBondContact CG1-OE2 3.31Å
220H91.5Very high89.8Confident45 Ų4565.8 Ų65.821%0.20832%0.316CS..SBendtrans-63.4-41.1-178.4171.161.7000112.1F277 N304 E312H220-F277 HydrophobicContact CB-CB 4.21Å; H220-F277 AromaticContact CD2-CD2 3.97Å; H220-F277 AromaticContact CE1-CD2 3.36Å; H220-F277 WeakPolarHBondContact CE1-CD2 3.37Å; H220-F277 AromaticContact CE1-CE2 3.81Å; H220-F277 AromaticContact CE1-CG 3.51Å; H220-F277 AromaticContact CG-CD2 3.86Å; H220-F277 WeakPolarHBondContact ND1-CB 3.38Å; H220-F277 AromaticContact ND1-CD2 3.47Å; H220-F277 WeakPolarHBondContact ND1-CD2 3.26Å; H220-F277 AromaticContact ND1-CG 3.37Å; H220-F277 WeakPolarHBondContact ND1-CG 3.36Å; H220-F277 AromaticContact NE2-CD2 3.74Å; H220-F277 AromaticContact NE2-CE2 3.98Å; H220-N304 PolarHBondContact CD2-O 2.99Å; H220-E312 PolarHBondContact N-OE1 3.25Å; H220-E312 PolarHBondContact N-OE2 2.96Å
221R88.2Confident89.7Confident173 Ų17365.4 Ų65.465%0.65331%0.313SS*.SBendtrans-125.976.1175-67.9178.3-166.6168.46.9110.4V219V219-R221 PolarHBondContact O-N 3.35Å
222P82.2Confident89.7Confident48 Ų4871.9 Ų71.931%0.31234%0.337SS..  trans-63.6151.5-177.829.2-34.3000110.4V219 K224V219-P222 HydrophobicContact CB-CB 4.16Å; V219-P222 HydrophobicContact CG1-CB 4.36Å; V219-P222 WeakPolarHBondContact O-CD 3.38Å; P222-K224 PolarHBondContact O-N 3.03Å
223P79.7Confident89.6Confident88 Ų8868.8 Ų68.857%0.57133%0.326SS*.  trans-53.2129.6171.9-22.631.7000110.4Y225 I226P223-Y225 PolarHBondContact O-N 2.89Å; P223-I226 HydrophobicContact CB-CG1 4.42Å
224K78.9Confident89.6Confident223 Ų22365.4 Ų65.497%0.9731%0.314SS*.SBendtrans-56.3-26-178.6-68-175.9178.5179.50113.2P222P222-K224 PolarHBondContact O-N 3.03Å
225Y82.9Confident89.5Confident165 Ų16565.6 Ų65.665%0.64732%0.315SS*.  trans-142.2119.4178.5-176.4-103.5000110.6P223 P227P223-Y225 PolarHBondContact O-N 2.89Å; Y225-P227 HydrophobicContact CD1-CG 4.23Å; Y225-P227 HydrophobicContact CE1-CB 4.05Å; Y225-P227 HydrophobicContact CE1-CG 3.79Å
226I85.2Confident89.5Confident29 Ų2969.7 Ų69.715%0.14933%0.328CS..  trans-106.7120.1164.3-53.3175.1000106.3R212 P223 L230 V231R212-I226 VanDerWaalsContact CZ-O 3.3Å; R212-I226 PolarHBondContact NH1-O 2.98Å; R212-I226 PolarHBondContact NH2-O 3.25Å; P223-I226 HydrophobicContact CB-CG1 4.42Å; I226-L230 HydrophobicContact CG2-CB 4.29Å; I226-L230 HydrophobicContact CG2-CD2 3.8Å; I226-L230 HydrophobicContact CG2-CG 4.17Å; I226-V231 HydrophobicContact CB-CG2 4.11Å; I226-V231 HydrophobicContact CG2-CG2 3.65Å
227P89.4Confident89.4Confident36 Ų3670.8 Ų70.823%0.23432%0.324CS..  trans-55.8141.8179.4-24.231.6000113.2Y225 F229 L230 V231Y225-P227 HydrophobicContact CD1-CG 4.23Å; Y225-P227 HydrophobicContact CE1-CB 4.05Å; Y225-P227 HydrophobicContact CE1-CG 3.79Å; P227-F229 VanDerWaalsContact C-N 3.27Å; P227-F229 HydrophobicContact CB-CD1 3.57Å; P227-F229 HydrophobicContact CB-CE1 3.22Å; P227-F229 HydrophobicContact CB-CG 4.42Å; P227-F229 HydrophobicContact CB-CZ 3.8Å; P227-F229 HydrophobicContact CG-CE1 3.91Å; P227-F229 HydrophobicContact CG-CZ 4.13Å; P227-F229 PolarHBondContact O-N 3.4Å; P227-L230 WeakPolarHBondContact O-CB 3.47Å; P227-L230 PolarHBondContact O-N 3.37Å; P227-V231 PolarHBondContact O-N 3.08Å; P227-V231 VanDerWaalsContact O-N 3.16Å
228D90.8Very high89.3Confident107 Ų10770.7 Ų70.757%0.57232%0.323SS*.Hα-helixtrans-60.3-34.6-176.6-73.5-32.6000113.4R212 L230 V231 R232R212-D228 IonicContact CZ-OD1 3.87Å; R212-D228 IonicContact NE-OD1 2.8Å; R212-D228 IonicContact NH2-OD1 2.77Å; R212-D228 PolarHBondContact NH2-OD1 3.17Å; D228-L230 VanDerWaalsContact C-N 3.27Å; D228-L230 PolarHBondContact O-N 3.36Å; D228-V231 PolarHBondContact O-N 3.43Å; D228-R232 WeakPolarHBondContact O-CB 3.34Å; D228-R232 PolarHBondContact O-N 3.41Å
229F91.3Very high89.2Confident105 Ų10570.7 Ų70.746%0.46132%0.321SS..Hα-helixtrans-62.6-37.5176.970.7-97.7000111.6A4 P227 D233A4-F229 HydrophobicContact CB-CD2 4.19Å; A4-F229 HydrophobicContact CB-CE2 3.72Å; P227-F229 VanDerWaalsContact C-N 3.27Å; P227-F229 HydrophobicContact CB-CD1 3.57Å; P227-F229 HydrophobicContact CB-CE1 3.22Å; P227-F229 HydrophobicContact CB-CG 4.42Å; P227-F229 HydrophobicContact CB-CZ 3.8Å; P227-F229 HydrophobicContact CG-CE1 3.91Å; P227-F229 HydrophobicContact CG-CZ 4.13Å; P227-F229 PolarHBondContact O-N 3.4Å; F229-D233 WeakPolarHBondContact O-CB 3.44Å; F229-D233 PolarHBondContact O-N 3.27Å
230L90.5Very high89.1Confident33 Ų3372.7 Ų72.717%0.17334%0.34CS..Hα-helixtrans-70.3-44.2179.1179.862.6000110.5V5 I8 I226 P227 D228 D233 L234V5-L230 HydrophobicContact CG2-CD1 3.59Å; I8-L230 HydrophobicContact CD1-CD1 4.04Å; I226-L230 HydrophobicContact CG2-CB 4.29Å; I226-L230 HydrophobicContact CG2-CD2 3.8Å; I226-L230 HydrophobicContact CG2-CG 4.17Å; P227-L230 WeakPolarHBondContact O-CB 3.47Å; P227-L230 PolarHBondContact O-N 3.37Å; D228-L230 VanDerWaalsContact C-N 3.27Å; D228-L230 PolarHBondContact O-N 3.36Å; L230-D233 PolarHBondContact O-N 2.94Å; L230-L234 HydrophobicContact CD1-CD1 4.42Å; L230-L234 HydrophobicContact CD1-CG 4.45Å; L230-L234 HydrophobicContact CG-CD1 4.21Å; L230-L234 WeakPolarHBondContact O-CB 3.34Å; L230-L234 WeakPolarHBondContact O-CG 3.42Å; L230-L234 PolarHBondContact O-N 3.03Å
231V92.2Very high89.1Confident4 Ų473.7 Ų73.72%0.02435%0.347CS..Hα-helixtrans-58.4-49.1174.6169.10000111.2F211 I226 P227 D228 D233 L234 L235F211-V231 HydrophobicContact CB-CG1 4.41Å; F211-V231 HydrophobicContact CD1-CB 4.26Å; F211-V231 HydrophobicContact CD1-CG1 3.61Å; F211-V231 HydrophobicContact CD1-CG2 4.03Å; F211-V231 HydrophobicContact CE1-CG1 4.33Å; F211-V231 HydrophobicContact CE1-CG2 4.1Å; F211-V231 HydrophobicContact CG-CG1 4.32Å; I226-V231 HydrophobicContact CB-CG2 4.11Å; I226-V231 HydrophobicContact CG2-CG2 3.65Å; P227-V231 PolarHBondContact O-N 3.08Å; P227-V231 VanDerWaalsContact O-N 3.16Å; D228-V231 PolarHBondContact O-N 3.43Å; V231-D233 VanDerWaalsContact C-N 3.31Å; V231-D233 PolarHBondContact O-N 2.78Å; V231-L234 PolarHBondContact O-N 3.31Å; V231-L235 HydrophobicContact CG1-CD1 3.89Å; V231-L235 WeakPolarHBondContact O-CB 3.48Å; V231-L235 WeakPolarHBondContact O-CG 3.47Å; V231-L235 PolarHBondContact O-N 3.3Å
232R92.4Very high89.4Confident142 Ų14267.4 Ų67.454%0.53632%0.324SS..Hα-helixtrans-61-40.1178.7-178.3-178.561.6-160.7-6.5112.2D228 R236D228-R232 WeakPolarHBondContact O-CB 3.34Å; D228-R232 PolarHBondContact O-N 3.41Å; R232-R236 WeakPolarHBondContact O-CB 3.36Å; R232-R236 PolarHBondContact O-N 3.21Å
233D91.5Very high89.9Confident9 Ų968.4 Ų68.45%0.04832%0.322CS..Hα-helixtrans-71.6-37.8179.5-72.6-19.1000112.1G2 V5 F229 L230 V231 R236 K237G2-D233 WeakPolarHBondContact CA-OD1 3.42Å; G2-D233 WeakPolarHBondContact CA-OD2 3.4Å; V5-D233 HydrophobicContact CB-CB 4.18Å; V5-D233 HydrophobicContact CG2-CB 3.47Å; V5-D233 VanDerWaalsContact CG2-CB 3.47Å; F229-D233 WeakPolarHBondContact O-CB 3.44Å; F229-D233 PolarHBondContact O-N 3.27Å; L230-D233 PolarHBondContact O-N 2.94Å; V231-D233 VanDerWaalsContact C-N 3.31Å; V231-D233 PolarHBondContact O-N 2.78Å; D233-R236 IonicContact OD1-CZ 3.74Å; D233-R236 IonicContact OD1-NH1 3.87Å; D233-R236 PolarHBondContact OD1-NH1 2.98Å; D233-K237 VanDerWaalsContact O-CB 3.24Å; D233-K237 WeakPolarHBondContact O-CB 3.46Å; D233-K237 PolarHBondContact O-N 3.31Å
234L92.6Very high90.7Very high15 Ų1570.6 Ų70.68%0.07933%0.325CS..Hα-helixtrans-63.7-47.2173.3-77.1170000111.1V5 W77 F211 L230 V231 K237 Y238V5-L234 HydrophobicContact CG1-CD2 4.02Å; V5-L234 HydrophobicContact CG2-CD2 3.98Å; V5-L234 HydrophobicContact CG2-CG 3.84Å; W77-L234 HydrophobicContact CH2-CD2 3.98Å; W77-L234 HydrophobicContact CZ2-CD2 4.42Å; W77-L234 HydrophobicContact CZ3-CD2 4.18Å; F211-L234 HydrophobicContact CE1-CD1 4.16Å; F211-L234 HydrophobicContact CZ-CB 4.28Å; F211-L234 HydrophobicContact CZ-CD1 3.83Å; L230-L234 HydrophobicContact CD1-CD1 4.42Å; L230-L234 HydrophobicContact CD1-CG 4.45Å; L230-L234 HydrophobicContact CG-CD1 4.21Å; L230-L234 WeakPolarHBondContact O-CB 3.34Å; L230-L234 WeakPolarHBondContact O-CG 3.42Å; L230-L234 PolarHBondContact O-N 3.03Å; V231-L234 PolarHBondContact O-N 3.31Å; L234-K237 PolarHBondContact O-N 3.42Å; L234-Y238 HydrophobicContact CD2-CD2 3.79Å; L234-Y238 HydrophobicContact CD2-CE2 3.99Å; L234-Y238 WeakPolarHBondContact O-CB 3.47Å; L234-Y238 PolarHBondContact O-N 3.05Å
235L92.9Very high91.5Very high18 Ų1862.9 Ų62.99%0.09429%0.292CS..Iπ-helixtrans-56.7-52.8175.3-83.3169.2000111.8P205 D207 G208 F211 V231 K237 F239 A240P205-L235 HydrophobicContact CB-CD2 4.16Å; P205-L235 HydrophobicContact CG-CD2 4.07Å; P205-L235 WeakPolarHBondContact O-CD2 3.18Å; D207-L235 WeakPolarHBondContact O-CD1 3.36Å; G208-L235 VanDerWaalsContact N-CD1 3.31Å; F211-L235 HydrophobicContact CB-CD1 4.09Å; F211-L235 HydrophobicContact CB-CD2 3.87Å; F211-L235 HydrophobicContact CB-CG 4.05Å; F211-L235 HydrophobicContact CD2-CD2 4.28Å; F211-L235 HydrophobicContact CD2-CG 4.49Å; F211-L235 HydrophobicContact CG-CD2 4.27Å; F211-L235 HydrophobicContact CG-CG 4.22Å; V231-L235 HydrophobicContact CG1-CD1 3.89Å; V231-L235 WeakPolarHBondContact O-CB 3.48Å; V231-L235 WeakPolarHBondContact O-CG 3.47Å; V231-L235 PolarHBondContact O-N 3.3Å; L235-K237 VanDerWaalsContact C-N 3.29Å; L235-K237 PolarHBondContact O-N 2.84Å; L235-F239 HydrophobicContact CD2-CB 3.87Å; L235-F239 HydrophobicContact CD2-CD2 4.24Å; L235-F239 HydrophobicContact CD2-CG 4.19Å; L235-F239 CarbonylContact O-C 3.54Å; L235-F239 WeakPolarHBondContact O-CA 3.39Å; L235-F239 PolarHBondContact O-N 2.98Å; L235-A240 PolarHBondContact O-N 3.11Å
236R91.6Very high92.1Very high129 Ų12955.3 Ų55.349%0.48726%0.262SS..Iπ-helixtrans-57.9-43.3179.5-172.3-168.6-62.2124.93.5111.6R232 D233R232-R236 WeakPolarHBondContact O-CB 3.36Å; R232-R236 PolarHBondContact O-N 3.21Å; D233-R236 IonicContact OD1-CZ 3.74Å; D233-R236 IonicContact OD1-NH1 3.87Å; D233-R236 PolarHBondContact OD1-NH1 2.98Å
237K90.7Very high92.6Very high72 Ų7255.2 Ų55.231%0.31326%0.262SS..Iπ-helixtrans-80.5-38.6-172.4-169.4176.6179.4-1770113.4V5 S9 D233 L234 L235V5-K237 HydrophobicContact CG1-CD 3.65Å; S9-K237 PolarHBondContact OG-NZ 3.36Å; D233-K237 VanDerWaalsContact O-CB 3.24Å; D233-K237 WeakPolarHBondContact O-CB 3.46Å; D233-K237 PolarHBondContact O-N 3.31Å; L234-K237 PolarHBondContact O-N 3.42Å; L235-K237 VanDerWaalsContact C-N 3.29Å; L235-K237 PolarHBondContact O-N 2.84Å
238Y92.5Very high92.9Very high11 Ų1160 Ų604%0.04328%0.275CS..Iπ-helixtrans-116-23.3-167.3-64.9-54000114.8V5 S9 P73 D74 W77 L234 K246V5-Y238 HydrophobicContact CG1-CE2 3.78Å; S9-Y238 PolarHBondContact OG-OH 3.3Å; P73-Y238 HydrophobicContact CB-CD1 4.46Å; P73-Y238 HydrophobicContact CB-CD2 3.75Å; P73-Y238 HydrophobicContact CB-CE2 3.87Å; P73-Y238 HydrophobicContact CB-CG 4.06Å; P73-Y238 HydrophobicContact CG-CD2 4.23Å; D74-Y238 HydrophobicContact CB-CE1 4.01Å; D74-Y238 WeakPolarHBondContact OD2-CE1 3.24Å; D74-Y238 VanDerWaalsContact OD2-CZ 3.3Å; D74-Y238 PolarHBondContact OD2-OH 3.25Å; W77-Y238 HydrophobicContact CZ2-CE2 4.39Å; W77-Y238 AromaticContact NE1-CE2 4Å; W77-Y238 AromaticContact NE1-CZ 3.86Å; W77-Y238 PolarHBondContact NE1-OH 3.49Å; W77-Y238 VanDerWaalsContact NE1-OH 3.13Å; L234-Y238 HydrophobicContact CD2-CD2 3.79Å; L234-Y238 HydrophobicContact CD2-CE2 3.99Å; L234-Y238 WeakPolarHBondContact O-CB 3.47Å; L234-Y238 PolarHBondContact O-N 3.05Å; Y238-K246 PolarHBondContact O-NZ 2.94Å
239F92.5Very high93.2Very high12 Ų1254.9 Ų54.95%0.05325%0.248CC..Iπ-helixtrans-112.5-30.4-174.6-65.9-85.2000113.7P205 F211 L214 L235 R243P205-F239 VanDerWaalsContact CD-CD1 3.43Å; P205-F239 HydrophobicContact CG-CB 4.44Å; P205-F239 HydrophobicContact CG-CD1 3.57Å; P205-F239 HydrophobicContact CG-CE1 3.82Å; P205-F239 HydrophobicContact CG-CG 3.96Å; P205-F239 HydrophobicContact CG-CZ 4.46Å; F211-F239 HydrophobicContact CD2-CD2 4.17Å; F211-F239 AromaticContact CD2-CE2 3.74Å; F211-F239 HydrophobicContact CD2-CE2 3.74Å; F211-F239 HydrophobicContact CD2-CZ 4.04Å; F211-F239 HydrophobicContact CE2-CD2 4.18Å; F211-F239 AromaticContact CE2-CE2 3.38Å; F211-F239 HydrophobicContact CE2-CE2 3.38Å; F211-F239 AromaticContact CE2-CZ 3.76Å; F211-F239 HydrophobicContact CE2-CZ 3.76Å; F211-F239 HydrophobicContact CZ-CE2 4.49Å; L214-F239 HydrophobicContact CD2-CE1 4.16Å; L214-F239 HydrophobicContact CD2-CZ 4.38Å; L235-F239 HydrophobicContact CD2-CB 3.87Å; L235-F239 HydrophobicContact CD2-CD2 4.24Å; L235-F239 HydrophobicContact CD2-CG 4.19Å; L235-F239 CarbonylContact O-C 3.54Å; L235-F239 WeakPolarHBondContact O-CA 3.39Å; L235-F239 PolarHBondContact O-N 2.98Å; F239-R243 WeakPolarHBondContact O-CB 3.45Å
240A92.5Very high93.4Very high62 Ų6250.4 Ų50.451%0.51223%0.229SC..SBendtrans-77.9-36177.700000112.7L235 K242L235-A240 PolarHBondContact O-N 3.11Å; A240-K242 PolarHBondContact O-N 3.16Å
241D91.2Very high93.5Very high67 Ų6754.9 Ų54.936%0.35825%0.247SC..THydrogen-bonded Turntrans-65129.2175.7-177.350.7000110.6R243 K246D241-R243 PolarHBondContact O-N 2.99Å; D241-R243 VanDerWaalsContact O-N 3.11Å; D241-K246 PolarHBondContact O-NZ 2.66Å
242K93.1Very high93.6Very high41 Ų4158.5 Ų58.518%0.17826%0.264CS..THydrogen-bonded Turntrans47.939.2178.6-57.1170.2-171.1162.30113.8F99 G101 S103 A240 E244 E245 K246F99-K242 HydrophobicContact CB-CB 4.1Å; F99-K242 HydrophobicContact CB-CD 4.1Å; F99-K242 HydrophobicContact CD1-CD 4.3Å; G101-K242 PolarHBondContact O-NZ 2.91Å; S103-K242 PolarHBondContact O-NZ 3.39Å; S103-K242 VanDerWaalsContact O-NZ 3.09Å; A240-K242 PolarHBondContact O-N 3.16Å; K242-E244 VanDerWaalsContact C-N 3.34Å; K242-E244 PolarHBondContact O-N 2.94Å; K242-E245 WeakPolarHBondContact CA-OE2 3.31Å; K242-E245 WeakPolarHBondContact CB-OE2 3.27Å; K242-E245 PolarHBondContact O-N 3.42Å; K242-K246 WeakPolarHBondContact O-CG 3.34Å; K242-K246 PolarHBondContact O-N 2.92Å; K242-K246 VanDerWaalsContact O-N 3.09Å
243R94.5Very high93.6Very high68 Ų6853.4 Ų53.426%0.25725%0.247SC..Hα-helixtrans-63.6-39.5-174.5-174175.5173.4-86.7-6.7112A204 F239 D241 K246 I247A204-R243 HydrophobicContact CB-CG 4.33Å; A204-R243 VanDerWaalsContact O-CZ 3.26Å; A204-R243 PolarHBondContact O-NE 2.92Å; A204-R243 PolarHBondContact O-NH2 3.08Å; F239-R243 WeakPolarHBondContact O-CB 3.45Å; D241-R243 PolarHBondContact O-N 2.99Å; D241-R243 VanDerWaalsContact O-N 3.11Å; R243-K246 WeakPolarHBondContact O-CB 3.42Å; R243-K246 PolarHBondContact O-N 3.05Å; R243-I247 HydrophobicContact CG-CD1 4.19Å; R243-I247 WeakPolarHBondContact O-CG1 3.37Å; R243-I247 PolarHBondContact O-N 3.16Å
244E95.4Very high93.5Very high135 Ų13556 Ų5663%0.63126%0.262SS*.Hα-helixtrans-65.9-40.4-178.9-65.7-175.7-179.200111.5K242 I247 R248K242-E244 VanDerWaalsContact C-N 3.34Å; K242-E244 PolarHBondContact O-N 2.94Å; E244-I247 WeakPolarHBondContact O-CB 3.5Å; E244-I247 PolarHBondContact O-N 2.74Å; E244-R248 WeakPolarHBondContact O-CG 3.34Å; E244-R248 PolarHBondContact O-N 2.83Å
245E95.6Very high93.3Very high60 Ų6056.1 Ų56.128%0.2826%0.264SS..Hα-helixtrans-66.5-40.2176.1-59.491.6149.100111.2F99 K242 I247 R248 L249F99-E245 HydrophobicContact CB-CB 3.95Å; F99-E245 HydrophobicContact CD1-CB 3.54Å; F99-E245 HydrophobicContact CD1-CG 3.71Å; F99-E245 HydrophobicContact CD2-CB 3.93Å; F99-E245 HydrophobicContact CE1-CB 4.04Å; F99-E245 HydrophobicContact CE1-CG 3.91Å; F99-E245 HydrophobicContact CE2-CB 4.4Å; F99-E245 HydrophobicContact CG-CB 3.49Å; F99-E245 VanDerWaalsContact CG-CB 3.49Å; F99-E245 HydrophobicContact CG-CG 4.21Å; F99-E245 HydrophobicContact CZ-CB 4.45Å; K242-E245 WeakPolarHBondContact CA-OE2 3.31Å; K242-E245 WeakPolarHBondContact CB-OE2 3.27Å; K242-E245 PolarHBondContact O-N 3.42Å; E245-I247 VanDerWaalsContact C-N 3.33Å; E245-I247 PolarHBondContact O-N 3.28Å; E245-R248 WeakPolarHBondContact O-CB 3.31Å; E245-R248 PolarHBondContact O-N 3.13Å; E245-R248 VanDerWaalsContact O-N 3.15Å; E245-L249 WeakPolarHBondContact O-CG 3.32Å; E245-L249 PolarHBondContact O-N 3.34Å
246K95.6Very high92.8Very high7 Ų758.8 Ų58.83%0.0328%0.276CS..Hα-helixtrans-60.1-41.1171.9-76168.9-173159.30112.4F71 F99 F100 Y238 D241 K242 R243 R248 L249 I250F71-K246 HydrophobicContact CE1-CB 3.96Å; F71-K246 HydrophobicContact CE1-CG 4.22Å; F99-K246 WeakPolarHBondContact O-CE 3.41Å; F100-K246 HydrophobicContact CE1-CD 4.38Å; F100-K246 HydrophobicContact CE1-CG 4.49Å; F100-K246 HydrophobicContact CZ-CG 4.31Å; Y238-K246 PolarHBondContact O-NZ 2.94Å; D241-K246 PolarHBondContact O-NZ 2.66Å; K242-K246 WeakPolarHBondContact O-CG 3.34Å; K242-K246 PolarHBondContact O-N 2.92Å; K242-K246 VanDerWaalsContact O-N 3.09Å; R243-K246 WeakPolarHBondContact O-CB 3.42Å; R243-K246 PolarHBondContact O-N 3.05Å; K246-R248 VanDerWaalsContact C-N 3.32Å; K246-L249 WeakPolarHBondContact O-CB 3.46Å; K246-L249 PolarHBondContact O-N 3.44Å; K246-I250 WeakPolarHBondContact O-CD1 3.27Å; K246-I250 WeakPolarHBondContact O-CG1 3.31Å; K246-I250 PolarHBondContact O-N 3.49Å; K246-I250 VanDerWaalsContact O-N 3.08Å
247I96.3Very high92.3Very high27 Ų2758.9 Ų58.914%0.13828%0.282CS..Hα-helixtrans-62.8-41.9174.3-71.6168.6000110.5T200 A204 R243 E244 E245 I250 K251T200-I247 HydrophobicContact CG2-CG2 4.1Å; A204-I247 HydrophobicContact CB-CD1 4.47Å; A204-I247 HydrophobicContact CB-CG1 3.81Å; R243-I247 HydrophobicContact CG-CD1 4.19Å; R243-I247 WeakPolarHBondContact O-CG1 3.37Å; R243-I247 PolarHBondContact O-N 3.16Å; E244-I247 WeakPolarHBondContact O-CB 3.5Å; E244-I247 PolarHBondContact O-N 2.74Å; E245-I247 VanDerWaalsContact C-N 3.33Å; E245-I247 PolarHBondContact O-N 3.28Å; I247-I250 PolarHBondContact O-N 2.93Å; I247-K251 HydrophobicContact CG2-CD 4.15Å; I247-K251 HydrophobicContact CG2-CG 4.43Å; I247-K251 WeakPolarHBondContact O-CG 3.42Å; I247-K251 PolarHBondContact O-N 3.33Å
248R95.9Very high92Very high135 Ų13561.6 Ų61.651%0.50930%0.295SS..Hα-helixtrans-63-42.5175.8-67.5-179.4-165.2-1716112R110 E244 E245 K246 I250 K251 E252R110-R248 HydrophobicContact CB-CB 4.32Å; R110-R248 HydrophobicContact CG-CB 4Å; E244-R248 WeakPolarHBondContact O-CG 3.34Å; E244-R248 PolarHBondContact O-N 2.83Å; E245-R248 WeakPolarHBondContact O-CB 3.31Å; E245-R248 PolarHBondContact O-N 3.13Å; E245-R248 VanDerWaalsContact O-N 3.15Å; K246-R248 VanDerWaalsContact C-N 3.32Å; R248-I250 VanDerWaalsContact C-N 3.29Å; R248-I250 PolarHBondContact O-N 3.17Å; R248-K251 PolarHBondContact O-N 3.18Å; R248-E252 PolarHBondContact O-N 2.88Å
249L96.4Very high91.5Very high1 Ų162.2 Ų62.21%0.00530%0.3CS..Hα-helixtrans-54.9-45.7173.2-68.7179.7000111.2F71 F99 F100 R110 E245 K246 E252 I253F71-L249 HydrophobicContact CZ-CB 3.79Å; F71-L249 HydrophobicContact CZ-CD1 4.14Å; F99-L249 HydrophobicContact CD2-CD1 4.04Å; F99-L249 HydrophobicContact CD2-CD2 4.12Å; F99-L249 HydrophobicContact CD2-CG 4.13Å; F99-L249 HydrophobicContact CE2-CD2 4.24Å; F100-L249 HydrophobicContact CE2-CD1 3.84Å; F100-L249 HydrophobicContact CZ-CD1 4.48Å; R110-L249 HydrophobicContact CB-CD2 4Å; R110-L249 WeakPolarHBondContact O-CD2 3.45Å; E245-L249 WeakPolarHBondContact O-CG 3.32Å; E245-L249 PolarHBondContact O-N 3.34Å; K246-L249 WeakPolarHBondContact O-CB 3.46Å; K246-L249 PolarHBondContact O-N 3.44Å; L249-E252 PolarHBondContact O-N 3.3Å; L249-I253 PolarHBondContact O-N 3.25Å
250I94.9Very high90.8Very high11 Ų1167.2 Ų67.26%0.05634%0.336CS..Hα-helixtrans-63.7-42.8178.7-63.3156.4000111F71 V199 T200 M203 A204 K246 I247 R248 E252 I253F71-I250 HydrophobicContact CD1-CD1 4.33Å; F71-I250 HydrophobicContact CD1-CG1 4.42Å; F71-I250 HydrophobicContact CE1-CD1 3.82Å; F71-I250 HydrophobicContact CE1-CG1 3.66Å; F71-I250 HydrophobicContact CE2-CG1 4.01Å; F71-I250 HydrophobicContact CZ-CD1 4.14Å; F71-I250 HydrophobicContact CZ-CG1 3.44Å; F71-I250 VanDerWaalsContact CZ-CG1 3.44Å; V199-I250 HydrophobicContact CG1-CG2 4.17Å; T200-I250 HydrophobicContact CG2-CB 4.21Å; T200-I250 HydrophobicContact CG2-CG2 3.82Å; M203-I250 HydrophobicContact CB-CD1 3.55Å; M203-I250 HydrophobicContact CB-CG1 4.35Å; A204-I250 HydrophobicContact CB-CD1 4.19Å; K246-I250 WeakPolarHBondContact O-CD1 3.27Å; K246-I250 WeakPolarHBondContact O-CG1 3.31Å; K246-I250 PolarHBondContact O-N 3.49Å; K246-I250 VanDerWaalsContact O-N 3.08Å; I247-I250 PolarHBondContact O-N 2.93Å; R248-I250 VanDerWaalsContact C-N 3.29Å; R248-I250 PolarHBondContact O-N 3.17Å; I250-E252 VanDerWaalsContact C-N 3.27Å; I250-E252 PolarHBondContact O-N 2.79Å; I250-I253 WeakPolarHBondContact O-CB 3.47Å; I250-I253 PolarHBondContact O-N 2.83Å
251K93.9Very high90Very high127 Ų12768.1 Ų68.155%0.55233%0.33SS*.Hα-helixtrans-69.8-21.8-179.4-70.6-172.6177.5-158.90113.6E198 T200 I247 R248E198-K251 IonicContact OE2-NZ 3.7Å; E198-K251 PolarHBondContact OE2-NZ 2.87Å; T200-K251 HydrophobicContact CG2-CG 3.92Å; I247-K251 HydrophobicContact CG2-CD 4.15Å; I247-K251 HydrophobicContact CG2-CG 4.43Å; I247-K251 WeakPolarHBondContact O-CG 3.42Å; I247-K251 PolarHBondContact O-N 3.33Å; R248-K251 PolarHBondContact O-N 3.18Å
252E93.8Very high89.1Confident80 Ų8065.3 Ų65.337%0.37432%0.315SS..THydrogen-bonded Turntrans-91.20.1176.1-75.3-170.1-150.700113.5R110 S111 R248 L249 I250 V254R110-E252 WeakPolarHBondContact CA-OE2 3.42Å; R110-E252 VanDerWaalsContact CB-CD 3.41Å; R110-E252 HydrophobicContact CB-CG 4.3Å; R110-E252 WeakPolarHBondContact CB-OE1 3.42Å; R110-E252 WeakPolarHBondContact CB-OE2 3.44Å; R110-E252 PolarHBondContact N-OE2 3.44Å; S111-E252 PolarHBondContact N-OE2 3.04Å; R248-E252 PolarHBondContact O-N 2.88Å; L249-E252 PolarHBondContact O-N 3.3Å; I250-E252 VanDerWaalsContact C-N 3.27Å; I250-E252 PolarHBondContact O-N 2.79Å; E252-V254 PolarHBondContact O-N 2.79Å; E252-V254 VanDerWaalsContact O-N 3.11Å
253I92.8Very high88.2Confident35 Ų3569.1 Ų69.118%0.17934%0.337CS..  trans-66.4112.8168.8-61.7172.6000107.8Y147 L150 K182 L249 I250Y147-I253 HydrophobicContact CD2-CD1 3.69Å; Y147-I253 HydrophobicContact CD2-CG1 4.05Å; Y147-I253 HydrophobicContact CE2-CD1 3.99Å; Y147-I253 HydrophobicContact CE2-CG1 3.85Å; L150-I253 HydrophobicContact CD1-CD1 4.32Å; L150-I253 HydrophobicContact CD1-CG1 4.26Å; L150-I253 HydrophobicContact CD1-CG2 3.73Å; K182-I253 HydrophobicContact CD-CG2 3.85Å; L249-I253 PolarHBondContact O-N 3.25Å; I250-I253 WeakPolarHBondContact O-CB 3.47Å; I250-I253 PolarHBondContact O-N 2.83Å
254V88.5Confident87.4Confident62 Ų6267.9 Ų67.938%0.37634%0.339SS..  trans-71148.1179.4-67.30000111.5E252 Q258 D259E252-V254 PolarHBondContact O-N 2.79Å; E252-V254 VanDerWaalsContact O-N 3.11Å; V254-Q258 HydrophobicContact CB-CB 4.04Å; V254-Q258 HydrophobicContact CG1-CB 4.4Å; V254-D259 HydrophobicContact CG2-CB 3.98Å
255T87.8Confident86.7Confident18 Ų1866.2 Ų66.211%0.1134%0.34CS..  trans-80.2165.1168.371.50000111K182 E257 Q258 D259K182-T255 CarbonylContact O-C 3.58Å; K182-T255 WeakPolarHBondContact O-CA 3.48Å; K182-T255 VanDerWaalsContact O-CB 3.26Å; K182-T255 WeakPolarHBondContact O-CB 3.41Å; T255-E257 WeakPolarHBondContact CB-OE2 3.41Å; T255-E257 PolarHBondContact O-N 3.31Å; T255-E257 PolarHBondContact OG1-OE2 3.48Å; T255-Q258 CarbonylContact O-C 3.37Å; T255-Q258 WeakPolarHBondContact O-CA 3.45Å; T255-Q258 PolarHBondContact O-N 2.99Å; T255-Q258 WeakPolarHBondContact OG1-CG 3.41Å; T255-D259 PolarHBondContact O-N 3.19Å
256E83.6Confident86.3Confident75 Ų7563.7 Ų63.735%0.3533%0.328SS..THydrogen-bonded Turntrans-57.8-34.6177.4131163.4-132.800111.5K182 Q258 D259 L262K182-E256 PolarHBondContact O-N 3.09Å; E256-Q258 PolarHBondContact O-N 3.5Å; E256-D259 PolarHBondContact O-N 3.48Å; E256-L262 HydrophobicContact CB-CD1 4.03Å; E256-L262 HydrophobicContact CB-CD2 3.55Å; E256-L262 HydrophobicContact CB-CG 4.44Å; E256-L262 HydrophobicContact CG-CD2 3.33Å; E256-L262 VanDerWaalsContact OE1-CD2 3.29Å; E256-L262 WeakPolarHBondContact OE1-CD2 3.4Å
257E81.4Confident86Confident130 Ų13067.2 Ų67.261%0.60735%0.352SS*.THydrogen-bonded Turntrans-69.9-22.7176.3-52.285.7171.900113.2T255T255-E257 WeakPolarHBondContact CB-OE2 3.41Å; T255-E257 PolarHBondContact O-N 3.31Å; T255-E257 PolarHBondContact OG1-OE2 3.48Å
258Q83.7Confident85.9Confident129 Ų12966.7 Ų66.760%0.60335%0.349SS*.THydrogen-bonded Turntrans-95.3-23.4-179.9-66.2173.4-18.100112.5V254 T255 E256 S260V254-Q258 HydrophobicContact CB-CB 4.04Å; V254-Q258 HydrophobicContact CG1-CB 4.4Å; T255-Q258 CarbonylContact O-C 3.37Å; T255-Q258 WeakPolarHBondContact O-CA 3.45Å; T255-Q258 PolarHBondContact O-N 2.99Å; T255-Q258 WeakPolarHBondContact OG1-CG 3.41Å; E256-Q258 PolarHBondContact O-N 3.5Å; Q258-S260 PolarHBondContact O-N 2.94Å
259D81.6Confident85.9Confident24 Ų2465.7 Ų65.713%0.12835%0.35CS..  trans-7690.6179.3-173.83000110.6R153 V254 T255 E256 Q261 L262R153-D259 IonicContact CZ-OD2 3.24Å; R153-D259 IonicContact NH2-OD2 3.28Å; R153-D259 PolarHBondContact NH2-OD2 3.42Å; V254-D259 HydrophobicContact CG2-CB 3.98Å; T255-D259 PolarHBondContact O-N 3.19Å; E256-D259 PolarHBondContact O-N 3.48Å; D259-Q261 PolarHBondContact O-N 3.14Å; D259-Q261 VanDerWaalsContact OD1-CA 3.31Å; D259-Q261 WeakPolarHBondContact OD1-CA 3.48Å; D259-Q261 WeakPolarHBondContact OD1-CB 3.47Å; D259-Q261 PolarHBondContact OD1-N 3.5Å; D259-L262 HydrophobicContact CB-CB 4Å; D259-L262 HydrophobicContact CB-CD1 4.13Å; D259-L262 VanDerWaalsContact CG-N 3.29Å; D259-L262 VanDerWaalsContact O-CB 3.22Å; D259-L262 WeakPolarHBondContact O-CB 3.37Å; D259-L262 PolarHBondContact O-N 3.34Å; D259-L262 PolarHBondContact OD1-N 3.42Å; D259-L262 WeakPolarHBondContact OD2-CA 3.24Å; D259-L262 PolarHBondContact OD2-N 3.01Å
260S77.7Confident86Confident118 Ų11865.6 Ų65.683%0.82535%0.35SS*.THydrogen-bonded Turntrans-53.7-19.1172.363.50000113.9Q258Q258-S260 PolarHBondContact O-N 2.94Å
261Q75.5Confident86.2Confident80 Ų8065.3 Ų65.337%0.37435%0.348SS..THydrogen-bonded Turntrans-109.311.8-179-44.2-168.5-22.900113.2R153 R157 D259 N263 S264R153-Q261 PolarHBondContact NH2-O 2.9Å; R157-Q261 PolarHBondContact NH1-O 2.89Å; R157-Q261 VanDerWaalsContact NH2-OE1 3.13Å; D259-Q261 PolarHBondContact O-N 3.14Å; D259-Q261 VanDerWaalsContact OD1-CA 3.31Å; D259-Q261 WeakPolarHBondContact OD1-CA 3.48Å; D259-Q261 WeakPolarHBondContact OD1-CB 3.47Å; D259-Q261 PolarHBondContact OD1-N 3.5Å; Q261-N263 VanDerWaalsContact C-N 3.32Å; Q261-N263 PolarHBondContact O-N 2.98Å; Q261-S264 WeakPolarHBondContact O-CB 3.49Å; Q261-S264 PolarHBondContact O-N 3.09Å; Q261-S264 PolarHBondContact O-OG 3.09Å
262L73.6Confident86.4Confident8 Ų859.2 Ų59.24%0.04232%0.322CS..THydrogen-bonded Turntrans-49.3-53.4-177.1-16972.6000111.8R153 L180 E256 D259 S264 M292R153-L262 PolarHBondContact NH1-O 3.28Å; R153-L262 VanDerWaalsContact NH2-CA 3.29Å; R153-L262 PolarHBondContact NH2-O 3.25Å; L180-L262 WeakPolarHBondContact O-CD1 3.4Å; E256-L262 HydrophobicContact CB-CD1 4.03Å; E256-L262 HydrophobicContact CB-CD2 3.55Å; E256-L262 HydrophobicContact CB-CG 4.44Å; E256-L262 HydrophobicContact CG-CD2 3.33Å; E256-L262 VanDerWaalsContact OE1-CD2 3.29Å; E256-L262 WeakPolarHBondContact OE1-CD2 3.4Å; D259-L262 HydrophobicContact CB-CB 4Å; D259-L262 HydrophobicContact CB-CD1 4.13Å; D259-L262 VanDerWaalsContact CG-N 3.29Å; D259-L262 VanDerWaalsContact O-CB 3.22Å; D259-L262 WeakPolarHBondContact O-CB 3.37Å; D259-L262 PolarHBondContact O-N 3.34Å; D259-L262 PolarHBondContact OD1-N 3.42Å; D259-L262 WeakPolarHBondContact OD2-CA 3.24Å; D259-L262 PolarHBondContact OD2-N 3.01Å; L262-S264 VanDerWaalsContact C-N 3.32Å; L262-S264 PolarHBondContact O-N 3.46Å; L262-M292 HydrophobicContact CD1-CE 3.48Å; L262-M292 VanDerWaalsContact CD1-CE 3.48Å; L262-M292 HydrophobicContact CD1-CG 4.38Å; L262-M292 HydrophobicContact CD1-SD 3.47Å; L262-M292 WeakPolarHBondContact CD1-SD 3.38Å; L262-M292 HydrophobicContact CD2-CE 4.3Å; L262-M292 HydrophobicContact CG-CE 3.92Å; L262-M292 HydrophobicContact CG-CG 3.97Å; L262-M292 HydrophobicContact CG-SD 3.73Å
263N74.1Confident86.6Confident121 Ų12155.4 Ų55.465%0.64730%0.304SS*.THydrogen-bonded Turntrans-88.811.9-176-63.6-38.2000113.8Q261 P265Q261-N263 VanDerWaalsContact C-N 3.32Å; Q261-N263 PolarHBondContact O-N 2.98Å; N263-P265 WeakPolarHBondContact O-CD 3.19Å
264S78Confident86.9Confident42 Ų4253.8 Ų53.829%0.29430%0.295SS..  trans-77.2111.3172.7-57.90000109.2R157 Q261 L262R157-S264 VanDerWaalsContact NH1-CB 3.33Å; R157-S264 PolarHBondContact NH2-OG 3.39Å; R157-S264 VanDerWaalsContact NH2-OG 3.09Å; Q261-S264 WeakPolarHBondContact O-CB 3.49Å; Q261-S264 PolarHBondContact O-N 3.09Å; Q261-S264 PolarHBondContact O-OG 3.09Å; L262-S264 VanDerWaalsContact C-N 3.32Å; L262-S264 PolarHBondContact O-N 3.46Å
265P79.7Confident87.3Confident101 Ų10150.9 Ų50.966%0.65628%0.277SS*.  trans-69.3141.6-176.728.9-34.5000111N263N263-P265 WeakPolarHBondContact O-CD 3.19Å
266L87.2Confident87.8Confident6 Ų653.8 Ų53.83%0.03129%0.29CS..  trans-79.5133.6164.6-77.5174.9000108.9R153 A156 R157 Q268 I270R153-L266 HydrophobicContact CG-CD1 4.4Å; A156-L266 HydrophobicContact CB-CD1 4.09Å; A156-L266 HydrophobicContact CB-CD2 3.9Å; R157-L266 HydrophobicContact CB-CD2 4.49Å; R157-L266 HydrophobicContact CG-CD2 3.48Å; R157-L266 VanDerWaalsContact CG-CD2 3.48Å; R157-L266 HydrophobicContact CG-CG 4.49Å; L266-Q268 PolarHBondContact O-N 2.89Å; L266-I270 HydrophobicContact CB-CD1 3.96Å; L266-I270 HydrophobicContact CD1-CD1 4.14Å
267P89.8Confident88.5Confident81 Ų8154.2 Ų54.253%0.52629%0.291SS..SBendtrans-70.5-11.2177.227.5-34000113.4K296P267-K296 WeakPolarHBondContact O-CD 3.1Å; P267-K296 PolarHBondContact O-NZ 2.93Å
268Q94.3Very high89.2Confident16 Ų1648.4 Ų48.48%0.07526%0.264CS..SBendtrans-76.5158.5-177.9-66.87921.200113.4S160 V170 G171 V173 L266 K296S160-Q268 PolarHBondContact OG-NE2 3.37Å; V170-Q268 HydrophobicContact CB-CG 4.43Å; V170-Q268 HydrophobicContact CG1-CG 3.91Å; G171-Q268 WeakPolarHBondContact O-CB 3.19Å; G171-Q268 WeakPolarHBondContact O-CG 3.5Å; V173-Q268 HydrophobicContact CG2-CB 4.06Å; V173-Q268 HydrophobicContact CG2-CG 4.22Å; L266-Q268 PolarHBondContact O-N 2.89Å; Q268-K296 WeakPolarHBondContact O-CB 3.31Å; Q268-K296 WeakPolarHBondContact O-CD 3.34Å
269E96.5Very high89.7Confident114 Ų11445.7 Ų45.753%0.53325%0.251SS..  trans-67.3135.3159.7-65.4-176.6101.900109.5K172 V173 F324K172-E269 WeakPolarHBondContact CE-OE2 3.12Å; K172-E269 HydrophobicContact CG-CB 4.44Å; V173-E269 PolarHBondContact N-O 3.01Å; E269-F324 HydrophobicContact CB-CE2 4.22Å; E269-F324 HydrophobicContact CB-CZ 4Å
270I97.3Very high90.4Very high0 Ų045 Ų450%025%0.247CC..EExtended strand (participates in β ladder)trans-123.2129.1-176.7-48.4168.3000110V173 L175 L266 L293 K296 A297 T298V173-I270 CarbonylContact O-C 3.54Å; V173-I270 VanDerWaalsContact O-CA 3.29Å; V173-I270 WeakPolarHBondContact O-CA 3.27Å; L175-I270 HydrophobicContact CD1-CG2 4.06Å; L175-I270 HydrophobicContact CG-CG2 4.24Å; L266-I270 HydrophobicContact CB-CD1 3.96Å; L266-I270 HydrophobicContact CD1-CD1 4.14Å; I270-L293 HydrophobicContact CD1-CB 4.06Å; I270-L293 HydrophobicContact CD1-CD1 3.95Å; I270-L293 HydrophobicContact CD1-CD2 4.09Å; I270-L293 HydrophobicContact CD1-CG 4.27Å; I270-L293 HydrophobicContact CG2-CD1 4.06Å; I270-K296 PolarHBondContact N-O 3.49Å; I270-A297 HydrophobicContact CB-CB 4.28Å; I270-A297 CarbonylContact O-C 3.58Å; I270-A297 WeakPolarHBondContact O-CA 3.47Å; I270-T298 PolarHBondContact O-N 3.36Å
271L98.5Very high91.2Very high4 Ų441.2 Ų41.22%0.02122%0.216CC..EExtended strand (participates in β ladder)trans-107.2123.7168.8176.968.5000109.7V173 V174 L175 I273 K300 I320 F324V173-L271 PolarHBondContact O-N 3.36Å; V174-L271 CarbonylContact C-O 3.6Å; V174-L271 VanDerWaalsContact CA-O 3.27Å; V174-L271 WeakPolarHBondContact CA-O 3.29Å; V174-L271 HydrophobicContact CG1-CB 4.23Å; V174-L271 HydrophobicContact CG1-CD2 4.12Å; V174-L271 HydrophobicContact CG1-CG 4.27Å; V174-L271 HydrophobicContact CG2-CB 4.24Å; L175-L271 PolarHBondContact N-O 2.98Å; L271-I273 HydrophobicContact CD1-CG1 4.49Å; L271-I273 HydrophobicContact CD2-CD1 3.76Å; L271-I273 HydrophobicContact CD2-CG1 3.77Å; L271-I273 HydrophobicContact CG-CD1 4.35Å; L271-I273 HydrophobicContact CG-CG1 3.81Å; L271-K300 HydrophobicContact CD1-CB 4.24Å; L271-K300 HydrophobicContact CD1-CG 3.64Å; L271-I320 HydrophobicContact CD2-CG2 3.85Å; L271-F324 HydrophobicContact CB-CD1 3.54Å; L271-F324 HydrophobicContact CB-CD2 3.93Å; L271-F324 HydrophobicContact CB-CE1 3.45Å; L271-F324 VanDerWaalsContact CB-CE1 3.45Å; L271-F324 HydrophobicContact CB-CE2 3.88Å; L271-F324 HydrophobicContact CB-CG 3.77Å; L271-F324 HydrophobicContact CB-CZ 3.64Å; L271-F324 HydrophobicContact CD2-CB 3.62Å; L271-F324 HydrophobicContact CD2-CD1 3.8Å; L271-F324 HydrophobicContact CD2-CD2 4.36Å; L271-F324 HydrophobicContact CD2-CG 3.67Å; L271-F324 HydrophobicContact CG-CD1 4.31Å; L271-F324 HydrophobicContact CG-CG 4.25Å
272I98.4Very high92.1Very high0 Ų039.8 Ų39.80%021%0.214CC..EExtended strand (participates in β ladder)trans-98.7120.8170-59.3162.5000107L175 W274 A286 V289 K290 L293 A297 T298 V299 K300L175-I272 CarbonylContact O-C 3.51Å; L175-I272 VanDerWaalsContact O-CA 3.32Å; L175-I272 WeakPolarHBondContact O-CA 3.18Å; I272-W274 HydrophobicContact CG2-CE3 3.67Å; I272-W274 HydrophobicContact CG2-CZ3 4.09Å; I272-A286 HydrophobicContact CG2-CB 4.25Å; I272-V289 HydrophobicContact CD1-CB 4.27Å; I272-V289 HydrophobicContact CD1-CG1 3.78Å; I272-V289 HydrophobicContact CG1-CG1 4.29Å; I272-K290 HydrophobicContact CD1-CB 3.89Å; I272-L293 HydrophobicContact CD1-CD1 4.23Å; I272-L293 HydrophobicContact CG1-CD1 4.5Å; I272-A297 HydrophobicContact CD1-CB 4.07Å; I272-T298 PolarHBondContact N-O 3.49Å; I272-V299 HydrophobicContact CB-CG2 4.03Å; I272-V299 HydrophobicContact CD1-CG2 3.88Å; I272-V299 HydrophobicContact CG2-CG2 4.3Å; I272-V299 CarbonylContact O-C 3.57Å; I272-V299 WeakPolarHBondContact O-CA 3.22Å; I272-K300 PolarHBondContact O-N 3.16Å
273I98.6Very high93.2Very high0 Ų041 Ų410%022%0.221CC..EExtended strand (participates in β ladder)trans-110.4135.6172.9-51.8179.7000108V174 L175 C176 D177 L271 K300 I302 F317 I320V174-I273 HydrophobicContact CG1-CD1 3.88Å; V174-I273 HydrophobicContact CG1-CG1 4.12Å; L175-I273 PolarHBondContact O-N 2.93Å; C176-I273 CarbonylContact C-O 3.57Å; C176-I273 VanDerWaalsContact CA-O 3.29Å; C176-I273 WeakPolarHBondContact CA-O 3.44Å; D177-I273 PolarHBondContact N-O 3.02Å; L271-I273 HydrophobicContact CD1-CG1 4.49Å; L271-I273 HydrophobicContact CD2-CD1 3.76Å; L271-I273 HydrophobicContact CD2-CG1 3.77Å; L271-I273 HydrophobicContact CG-CD1 4.35Å; L271-I273 HydrophobicContact CG-CG1 3.81Å; I273-K300 VanDerWaalsContact CA-O 3.31Å; I273-K300 WeakPolarHBondContact CA-O 3.47Å; I273-I302 HydrophobicContact CG2-CD1 3.62Å; I273-I302 HydrophobicContact CG2-CG1 3.92Å; I273-F317 HydrophobicContact CB-CE2 4.22Å; I273-F317 HydrophobicContact CD1-CD2 4.12Å; I273-F317 HydrophobicContact CD1-CE2 3.68Å; I273-F317 HydrophobicContact CD1-CZ 4.1Å; I273-F317 HydrophobicContact CG2-CD2 3.88Å; I273-F317 HydrophobicContact CG2-CE2 3.9Å; I273-I320 HydrophobicContact CD1-CG2 3.86Å; I273-I320 HydrophobicContact CG1-CG2 4.22Å
274W98.6Very high94.2Very high1 Ų140.9 Ų40.90%0.00422%0.217CC..EExtended strand (participates in β ladder)trans-144.2145-178.1-140.6-76.2000112D177 A178 D179 I272 D278 F281 K285 A286 V289 K300 I301 I302D177-W274 VanDerWaalsContact OD1-CA 3.31Å; D177-W274 WeakPolarHBondContact OD1-CA 3.45Å; A178-W274 WeakPolarHBondContact O-CH2 3.36Å; A178-W274 WeakPolarHBondContact O-CZ3 3.49Å; D179-W274 HydrophobicContact CB-CH2 4.38Å; I272-W274 HydrophobicContact CG2-CE3 3.67Å; I272-W274 HydrophobicContact CG2-CZ3 4.09Å; W274-D278 PolarHBondContact NE1-OD2 3.49Å; W274-F281 HydrophobicContact CH2-CB 4.49Å; W274-F281 HydrophobicContact CZ2-CB 3.55Å; W274-F281 HydrophobicContact CZ2-CG 4.49Å; W274-F281 PolarHBondContact NE1-O 3.25Å; W274-K285 HydrophobicContact CH2-CB 3.7Å; W274-K285 HydrophobicContact CZ2-CB 3.54Å; W274-A286 HydrophobicContact CB-CB 3.96Å; W274-A286 HydrophobicContact CD2-CB 3.59Å; W274-A286 HydrophobicContact CE3-CB 3.46Å; W274-A286 VanDerWaalsContact CE3-CB 3.46Å; W274-A286 HydrophobicContact CG-CB 3.85Å; W274-A286 HydrophobicContact CZ3-CB 4.08Å; W274-V289 HydrophobicContact CH2-CG2 4.44Å; W274-V289 HydrophobicContact CZ3-CG2 4.4Å; W274-K300 PolarHBondContact N-O 2.81Å; W274-I301 HydrophobicContact CB-CD1 3.72Å; W274-I301 CarbonylContact O-C 3.5Å; W274-I301 VanDerWaalsContact O-CA 3.31Å; W274-I301 WeakPolarHBondContact O-CA 3.4Å; W274-I302 PolarHBondContact O-N 3.02Å
275G98.3Very high95.1Very high0 Ų039.4 Ų39.40%021%0.205CC..EExtended strand (participates in β ladder)trans-76.5131.116900000113D177 F277 D278 T305 G306D177-G275 PolarHBondContact OD1-N 2.73Å; G275-F277 PolarHBondContact O-N 3.24Å; G275-F277 VanDerWaalsContact O-N 3.15Å; G275-D278 PolarHBondContact O-N 3.24Å; G275-D278 VanDerWaalsContact O-N 3.16Å; G275-T305 CarbonylContact C-O 3.54Å; G275-T305 WeakPolarHBondContact CA-O 3.19Å; G275-T305 WeakPolarHBondContact CA-OG1 3.27Å; G275-G306 WeakPolarHBondContact CA-O 3.49Å
276E98Very high95.9Very high79 Ų7934.6 Ų34.637%0.36917%0.174SC..THydrogen-bonded Turntrans-53-35.9179179.1178-141.900113.7I301 I302 P303 N304 T305E276-I301 HydrophobicContact CB-CG2 3.83Å; E276-I302 WeakPolarHBondContact CB-O 3.42Å; E276-I302 PolarHBondContact N-O 3.09Å; E276-P303 VanDerWaalsContact OE2-CA 3.23Å; E276-P303 WeakPolarHBondContact OE2-CA 3.5Å; E276-N304 PolarHBondContact OE2-N 2.86Å; E276-T305 PolarHBondContact N-O 2.89Å
277F97.3Very high96.3Very high84 Ų8439.3 Ų39.337%0.36820%0.196SC..THydrogen-bonded Turntrans-113.429.6-177.1-60.3-71.7000112.4H220 G275 Q279 T305H220-F277 HydrophobicContact CB-CB 4.21Å; H220-F277 AromaticContact CD2-CD2 3.97Å; H220-F277 AromaticContact CE1-CD2 3.36Å; H220-F277 WeakPolarHBondContact CE1-CD2 3.37Å; H220-F277 AromaticContact CE1-CE2 3.81Å; H220-F277 AromaticContact CE1-CG 3.51Å; H220-F277 AromaticContact CG-CD2 3.86Å; H220-F277 WeakPolarHBondContact ND1-CB 3.38Å; H220-F277 AromaticContact ND1-CD2 3.47Å; H220-F277 WeakPolarHBondContact ND1-CD2 3.26Å; H220-F277 AromaticContact ND1-CG 3.37Å; H220-F277 WeakPolarHBondContact ND1-CG 3.36Å; H220-F277 AromaticContact NE2-CD2 3.74Å; H220-F277 AromaticContact NE2-CE2 3.98Å; G275-F277 PolarHBondContact O-N 3.24Å; G275-F277 VanDerWaalsContact O-N 3.15Å; F277-Q279 WeakPolarHBondContact O-CG 3.5Å; F277-Q279 PolarHBondContact O-N 2.94Å; F277-Q279 VanDerWaalsContact O-N 3.11Å; F277-T305 PolarHBondContact N-O 3.24Å
278D97.2Very high96.5Very high8 Ų840.1 Ų40.14%0.04319%0.191CC..  trans-57.6117.5174.4-173.8-12.8000109.9W274 G275 I280 F281 H307W274-D278 PolarHBondContact NE1-OD2 3.49Å; G275-D278 PolarHBondContact O-N 3.24Å; G275-D278 VanDerWaalsContact O-N 3.16Å; D278-I280 WeakPolarHBondContact OD1-CA 3.25Å; D278-I280 WeakPolarHBondContact OD1-CB 3.37Å; D278-I280 PolarHBondContact OD1-N 2.95Å; D278-F281 VanDerWaalsContact CB-O 3.22Å; D278-F281 WeakPolarHBondContact CB-O 3.09Å; D278-F281 PolarHBondContact OD1-N 3.35Å; D278-H307 VanDerWaalsContact CG-CA 3.47Å; D278-H307 VanDerWaalsContact OD1-CB 3.32Å; D278-H307 WeakPolarHBondContact OD1-CB 3.27Å; D278-H307 IonicContact OD1-CG 3.49Å; D278-H307 IonicContact OD1-ND1 2.8Å; D278-H307 PolarHBondContact OD1-ND1 2.91Å; D278-H307 WeakPolarHBondContact OD2-CA 3.4Å; D278-H307 IonicContact OD2-CE1 3.25Å; D278-H307 IonicContact OD2-CG 3.42Å; D278-H307 IonicContact OD2-ND1 2.62Å; D278-H307 PolarHBondContact OD2-ND1 3.28Å
279Q94.8Very high96.5Very high73 Ų7339.4 Ų39.434%0.34119%0.187SC..SBendtrans-97.5-10.1-179.7-66.9-158.514.800113.7K193 L217 F277K193-Q279 WeakPolarHBondContact CD-O 3.33Å; K193-Q279 VanDerWaalsContact CE-OE1 3.25Å; K193-Q279 PolarHBondContact NZ-O 3.48Å; L217-Q279 HydrophobicContact CB-CB 4.27Å; L217-Q279 HydrophobicContact CD2-CB 4.11Å; L217-Q279 VanDerWaalsContact CD2-OE1 3.27Å; L217-Q279 WeakPolarHBondContact O-CB 3.43Å; F277-Q279 WeakPolarHBondContact O-CG 3.5Å; F277-Q279 PolarHBondContact O-N 2.94Å; F277-Q279 VanDerWaalsContact O-N 3.11Å
280I95.6Very high96.4Very high8 Ų838.3 Ų38.34%0.04118%0.181CC..SBendtrans-82.8-53.2173.5-58-59.8000108.8L190 M203 L214 L217 D278 H307L190-I280 HydrophobicContact CD1-CD1 3.99Å; L190-I280 HydrophobicContact CD2-CG2 4.01Å; M203-I280 HydrophobicContact CE-CD1 4.07Å; L214-I280 HydrophobicContact CD1-CD1 4.34Å; L217-I280 HydrophobicContact CB-CD1 3.53Å; L217-I280 HydrophobicContact CB-CG1 4.42Å; L217-I280 HydrophobicContact CD1-CD1 4.4Å; D278-I280 WeakPolarHBondContact OD1-CA 3.25Å; D278-I280 WeakPolarHBondContact OD1-CB 3.37Å; D278-I280 PolarHBondContact OD1-N 2.95Å; I280-H307 HydrophobicContact CB-CB 4.19Å; I280-H307 HydrophobicContact CG1-CB 3.84Å
281F94.2Very high96.1Very high39 Ų3946.1 Ų46.117%0.17122%0.218CC..SBendtrans-124106.3175.1-51.4-44.7000109.6D177 D179 W274 D278 H307D177-F281 VanDerWaalsContact O-CD2 3.27Å; D177-F281 WeakPolarHBondContact O-CD2 3.34Å; D177-F281 WeakPolarHBondContact O-CE2 3.35Å; D179-F281 HydrophobicContact CB-CB 4.23Å; D179-F281 HydrophobicContact CB-CD1 3.9Å; D179-F281 HydrophobicContact CB-CD2 4.03Å; D179-F281 HydrophobicContact CB-CE1 4.26Å; D179-F281 HydrophobicContact CB-CE2 4.36Å; D179-F281 HydrophobicContact CB-CG 3.81Å; D179-F281 HydrophobicContact CB-CZ 4.48Å; W274-F281 HydrophobicContact CH2-CB 4.49Å; W274-F281 HydrophobicContact CZ2-CB 3.55Å; W274-F281 HydrophobicContact CZ2-CG 4.49Å; W274-F281 PolarHBondContact NE1-O 3.25Å; D278-F281 VanDerWaalsContact CB-O 3.22Å; D278-F281 WeakPolarHBondContact CB-O 3.09Å; D278-F281 PolarHBondContact OD1-N 3.35Å; F281-H307 AromaticContact CD2-CE1 3.45Å; F281-H307 VanDerWaalsContact CD2-CE1 3.45Å; F281-H307 WeakPolarHBondContact CD2-CE1 3.24Å; F281-H307 AromaticContact CD2-ND1 3.91Å; F281-H307 AromaticContact CE2-CE1 3.46Å; F281-H307 VanDerWaalsContact CE2-CE1 3.46Å; F281-H307 WeakPolarHBondContact CE2-CE1 3.2Å
282P94.9Very high95.8Very high51 Ų5147.1 Ų47.133%0.33122%0.222SC..  trans-53.6144.4-177.7-2634.4000112.5E284 K285P282-E284 WeakPolarHBondContact CB-OE2 3.45Å; P282-E284 PolarHBondContact O-N 2.65Å; P282-K285 WeakPolarHBondContact O-CB 3.39Å; P282-K285 WeakPolarHBondContact O-CG 3.44Å; P282-K285 PolarHBondContact O-N 3.02Å
283V96.4Very high95.5Very high32 Ų3247.4 Ų47.419%0.19422%0.224CC..THydrogen-bonded Turntrans-57.7-24.3-173.470.70000113.5K285 A286 I301V283-K285 PolarHBondContact O-N 3.24Å; V283-A286 WeakPolarHBondContact O-CB 3.4Å; V283-A286 PolarHBondContact O-N 3.2Å; V283-I301 HydrophobicContact CG2-CD1 3.61Å; V283-I301 HydrophobicContact CG2-CG1 4.21Å; V283-I301 HydrophobicContact CG2-CG2 4.09Å
284E95.9Very high95.1Very high120 Ų12049 Ų4956%0.56124%0.24SC*.Hα-helixtrans-57.8-29.7173.3-61.576.3-166.900112P282 A286 H287 K288P282-E284 WeakPolarHBondContact CB-OE2 3.45Å; P282-E284 PolarHBondContact O-N 2.65Å; E284-A286 VanDerWaalsContact C-N 3.27Å; E284-A286 PolarHBondContact O-N 3.05Å; E284-H287 PolarHBondContact O-N 3.23Å; E284-H287 VanDerWaalsContact O-N 3.15Å; E284-K288 PolarHBondContact O-N 2.81Å
285K95.6Very high94.8Very high10 Ų1058.5 Ų58.54%0.04328%0.284CS..Hα-helixtrans-61.8-33.3174.2-66.3-61-164.6133.30112.4D179 A181 D186 W274 P282 V283 H287 K288 V289D179-K285 IonicContact OD1-NZ 3.81Å; D179-K285 WeakPolarHBondContact OD2-CD 3.31Å; D179-K285 VanDerWaalsContact OD2-CE 3.24Å; D179-K285 WeakPolarHBondContact OD2-CE 3.16Å; D179-K285 IonicContact OD2-NZ 3.11Å; D179-K285 PolarHBondContact OD2-NZ 3.22Å; A181-K285 PolarHBondContact O-NZ 3.44Å; D186-K285 WeakPolarHBondContact OD1-CE 3.36Å; D186-K285 IonicContact OD1-NZ 2.89Å; D186-K285 PolarHBondContact OD1-NZ 2.97Å; D186-K285 IonicContact OD2-NZ 3.1Å; D186-K285 PolarHBondContact OD2-NZ 2.72Å; W274-K285 HydrophobicContact CH2-CB 3.7Å; W274-K285 HydrophobicContact CZ2-CB 3.54Å; P282-K285 WeakPolarHBondContact O-CB 3.39Å; P282-K285 WeakPolarHBondContact O-CG 3.44Å; P282-K285 PolarHBondContact O-N 3.02Å; V283-K285 PolarHBondContact O-N 3.24Å; K285-H287 PolarHBondContact O-N 2.86Å; K285-K288 HydrophobicContact CD-CD 4.2Å; K285-K288 PolarHBondContact O-N 3.01Å; K285-V289 WeakPolarHBondContact O-CB 3.32Å; K285-V289 VanDerWaalsContact O-CG2 3.27Å; K285-V289 WeakPolarHBondContact O-CG2 3.31Å; K285-V289 PolarHBondContact O-N 3.37Å
286A96.4Very high94.5Very high0 Ų063.9 Ų63.90%031%0.308CS..Hα-helixtrans-57.2-37.9175.200000111.8I272 W274 V283 E284 K290 V299 I301I272-A286 HydrophobicContact CG2-CB 4.25Å; W274-A286 HydrophobicContact CB-CB 3.96Å; W274-A286 HydrophobicContact CD2-CB 3.59Å; W274-A286 HydrophobicContact CE3-CB 3.46Å; W274-A286 VanDerWaalsContact CE3-CB 3.46Å; W274-A286 HydrophobicContact CG-CB 3.85Å; W274-A286 HydrophobicContact CZ3-CB 4.08Å; V283-A286 WeakPolarHBondContact O-CB 3.4Å; V283-A286 PolarHBondContact O-N 3.2Å; E284-A286 VanDerWaalsContact C-N 3.27Å; E284-A286 PolarHBondContact O-N 3.05Å; A286-K290 WeakPolarHBondContact O-CB 3.37Å; A286-K290 PolarHBondContact O-N 3.42Å; A286-V299 HydrophobicContact CB-CG1 4.01Å; A286-V299 WeakPolarHBondContact O-CG2 3.45Å; A286-I301 HydrophobicContact CB-CD1 4.12Å
287H95.7Very high94.5Very high106 Ų10660.2 Ų60.249%0.49129%0.291SS..Hα-helixtrans-76-39.3178.8-63.9-68.9000112.4E284 K285 K290 E291E284-H287 PolarHBondContact O-N 3.23Å; E284-H287 VanDerWaalsContact O-N 3.15Å; K285-H287 PolarHBondContact O-N 2.86Å; H287-K290 WeakPolarHBondContact O-CB 3.47Å; H287-K290 PolarHBondContact O-N 2.99Å; H287-E291 PolarHBondContact O-N 2.97Å
288K94Very high94.5Very high98 Ų9859.3 Ų59.343%0.42629%0.292SS..Hα-helixtrans-61-45172.1-68.3-170.1177.9-1750111.8A181 E284 K285 K290 E291 M292A181-K288 HydrophobicContact CB-CB 4.1Å; E284-K288 PolarHBondContact O-N 2.81Å; K285-K288 HydrophobicContact CD-CD 4.2Å; K285-K288 PolarHBondContact O-N 3.01Å; K288-K290 VanDerWaalsContact C-N 3.29Å; K288-K290 PolarHBondContact O-N 3.26Å; K288-E291 PolarHBondContact O-N 2.78Å; K288-M292 PolarHBondContact O-N 3.49Å
289V93.9Very high94.5Very high0 Ų060.1 Ų60.10%030%0.298CS..Hα-helixtrans-61.8-38.8176173.60000111L180 A181 I272 W274 K285 L293L180-V289 HydrophobicContact CB-CG1 4.27Å; L180-V289 HydrophobicContact CB-CG2 4.05Å; L180-V289 HydrophobicContact CD1-CG1 3.89Å; L180-V289 HydrophobicContact CG-CG1 3.89Å; L180-V289 HydrophobicContact CG-CG2 4.34Å; A181-V289 HydrophobicContact CB-CG2 4.23Å; I272-V289 HydrophobicContact CD1-CB 4.27Å; I272-V289 HydrophobicContact CD1-CG1 3.78Å; I272-V289 HydrophobicContact CG1-CG1 4.29Å; W274-V289 HydrophobicContact CH2-CG2 4.44Å; W274-V289 HydrophobicContact CZ3-CG2 4.4Å; K285-V289 WeakPolarHBondContact O-CB 3.32Å; K285-V289 VanDerWaalsContact O-CG2 3.27Å; K285-V289 WeakPolarHBondContact O-CG2 3.31Å; K285-V289 PolarHBondContact O-N 3.37Å; V289-L293 HydrophobicContact CG1-CD1 3.7Å; V289-L293 HydrophobicContact CG1-CG 4.27Å; V289-L293 WeakPolarHBondContact O-CB 3.22Å; V289-L293 VanDerWaalsContact O-CG 3.24Å; V289-L293 WeakPolarHBondContact O-CG 3.48Å; V289-L293 PolarHBondContact O-N 3.02Å
290K94.3Very high94.7Very high91 Ų9161.5 Ų61.540%0.39630%0.303SS..Hα-helixtrans-61.6-47.2173.4-174.6-168173-174.50112.1I272 A286 H287 K288 M292 L293 G294 A297 V299I272-K290 HydrophobicContact CD1-CB 3.89Å; A286-K290 WeakPolarHBondContact O-CB 3.37Å; A286-K290 PolarHBondContact O-N 3.42Å; H287-K290 WeakPolarHBondContact O-CB 3.47Å; H287-K290 PolarHBondContact O-N 2.99Å; K288-K290 VanDerWaalsContact C-N 3.29Å; K288-K290 PolarHBondContact O-N 3.26Å; K290-M292 VanDerWaalsContact C-N 3.33Å; K290-M292 PolarHBondContact O-N 3.49Å; K290-L293 PolarHBondContact O-N 2.87Å; K290-G294 PolarHBondContact O-N 3.47Å; K290-A297 VanDerWaalsContact CE-O 3.31Å; K290-A297 WeakPolarHBondContact CE-O 3.39Å; K290-A297 HydrophobicContact CG-CB 4.09Å; K290-V299 HydrophobicContact CB-CG2 3.63Å; K290-V299 HydrophobicContact CD-CG2 3.81Å; K290-V299 HydrophobicContact CG-CG2 3.99Å
291E92.7Very high94.8Very high165 Ų16564 Ų6477%0.77132%0.315SS*.Hα-helixtrans-59.1-46.4179-177174-176.400111.2H287 K288 L293 G294H287-E291 PolarHBondContact O-N 2.97Å; K288-E291 PolarHBondContact O-N 2.78Å; E291-L293 PolarHBondContact O-N 3.16Å; E291-G294 PolarHBondContact O-N 3.28Å
292M90.7Very high95Very high24 Ų2462.1 Ų62.112%0.11831%0.307CS..Hα-helixtrans-60-45.1175.9179.6-154.9-5500113.1L180 A181 L262 K288 K290 G294L180-M292 HydrophobicContact CB-CE 4.03Å; L180-M292 HydrophobicContact CB-SD 3.99Å; A181-M292 VanDerWaalsContact CA-CE 3.48Å; A181-M292 HydrophobicContact CB-CE 3.36Å; L262-M292 HydrophobicContact CD1-CE 3.48Å; L262-M292 VanDerWaalsContact CD1-CE 3.48Å; L262-M292 HydrophobicContact CD1-CG 4.38Å; L262-M292 HydrophobicContact CD1-SD 3.47Å; L262-M292 WeakPolarHBondContact CD1-SD 3.38Å; L262-M292 HydrophobicContact CD2-CE 4.3Å; L262-M292 HydrophobicContact CG-CE 3.92Å; L262-M292 HydrophobicContact CG-CG 3.97Å; L262-M292 HydrophobicContact CG-SD 3.73Å; K288-M292 PolarHBondContact O-N 3.49Å; K290-M292 VanDerWaalsContact C-N 3.33Å; K290-M292 PolarHBondContact O-N 3.49Å; M292-G294 VanDerWaalsContact C-N 3.3Å; M292-G294 PolarHBondContact O-N 3.16Å
293L91.8Very high95.2Very high7 Ų762.1 Ų62.14%0.03731%0.307CS..Hα-helixtrans-78.4-16-176.7-68.6176000113.2L175 L180 I270 I272 V289 K290 E291 A297L175-L293 HydrophobicContact CD1-CD1 3.75Å; L180-L293 HydrophobicContact CD1-CD1 3.98Å; L180-L293 HydrophobicContact CD1-CD2 3.97Å; L180-L293 HydrophobicContact CD1-CG 4.2Å; I270-L293 HydrophobicContact CD1-CB 4.06Å; I270-L293 HydrophobicContact CD1-CD1 3.95Å; I270-L293 HydrophobicContact CD1-CD2 4.09Å; I270-L293 HydrophobicContact CD1-CG 4.27Å; I270-L293 HydrophobicContact CG2-CD1 4.06Å; I272-L293 HydrophobicContact CD1-CD1 4.23Å; I272-L293 HydrophobicContact CG1-CD1 4.5Å; V289-L293 HydrophobicContact CG1-CD1 3.7Å; V289-L293 HydrophobicContact CG1-CG 4.27Å; V289-L293 WeakPolarHBondContact O-CB 3.22Å; V289-L293 VanDerWaalsContact O-CG 3.24Å; V289-L293 WeakPolarHBondContact O-CG 3.48Å; V289-L293 PolarHBondContact O-N 3.02Å; K290-L293 PolarHBondContact O-N 2.87Å; E291-L293 PolarHBondContact O-N 3.16Å; L293-A297 HydrophobicContact CB-CB 3.79Å; L293-A297 HydrophobicContact CD1-CB 4.43Å
294G91Very high95.2Very high32 Ų3264.9 Ų64.933%0.3332%0.321SS..  trans81.3-165.2175.500000114.6K290 E291 M292 K296 A297K290-G294 PolarHBondContact O-N 3.47Å; E291-G294 PolarHBondContact O-N 3.28Å; M292-G294 VanDerWaalsContact C-N 3.3Å; M292-G294 PolarHBondContact O-N 3.16Å; G294-K296 PolarHBondContact O-N 2.96Å; G294-K296 VanDerWaalsContact O-N 3.09Å; G294-A297 WeakPolarHBondContact O-CB 3.39Å; G294-A297 PolarHBondContact O-N 2.8Å
295E91.8Very high95.3Very high201 Ų20159.3 Ų59.394%0.93930%0.295SS*.THydrogen-bonded Turntrans-64-21.2-165-60.7-175157.100115A297E295-A297 PolarHBondContact O-N 3.45Å
296K93.3Very high95.3Very high113 Ų11358.9 Ų58.949%0.49129%0.293SS..THydrogen-bonded Turntrans-76.5-10.1176.9-64.8-172.7175.9178.10113.4P267 Q268 I270 G294P267-K296 WeakPolarHBondContact O-CD 3.1Å; P267-K296 PolarHBondContact O-NZ 2.93Å; Q268-K296 WeakPolarHBondContact O-CB 3.31Å; Q268-K296 WeakPolarHBondContact O-CD 3.34Å; I270-K296 PolarHBondContact N-O 3.49Å; G294-K296 PolarHBondContact O-N 2.96Å; G294-K296 VanDerWaalsContact O-N 3.09Å
297A96.2Very high95.4Very high2 Ų259.3 Ų59.32%0.01730%0.295CS..EExtended strand (participates in β ladder)trans-89.4126.2178.700000112I270 I272 K290 L293 G294 E295I270-A297 HydrophobicContact CB-CB 4.28Å; I270-A297 CarbonylContact O-C 3.58Å; I270-A297 WeakPolarHBondContact O-CA 3.47Å; I272-A297 HydrophobicContact CD1-CB 4.07Å; K290-A297 VanDerWaalsContact CE-O 3.31Å; K290-A297 WeakPolarHBondContact CE-O 3.39Å; K290-A297 HydrophobicContact CG-CB 4.09Å; L293-A297 HydrophobicContact CB-CB 3.79Å; L293-A297 HydrophobicContact CD1-CB 4.43Å; G294-A297 WeakPolarHBondContact O-CB 3.39Å; G294-A297 PolarHBondContact O-N 2.8Å; E295-A297 PolarHBondContact O-N 3.45Å
298T97.5Very high95.4Very high65 Ų6555.7 Ų55.740%0.39928%0.279SS..EExtended strand (participates in β ladder)trans-113.3134.7172.2-64.40000110.1I270 I272I270-T298 PolarHBondContact O-N 3.36Å; I272-T298 PolarHBondContact N-O 3.49Å
299V98.3Very high95.6Very high26 Ų2651 Ų5116%0.15826%0.259CS..EExtended strand (participates in β ladder)trans-99.3136177.3175.90000110.6I272 A286 K290 I301I272-V299 HydrophobicContact CB-CG2 4.03Å; I272-V299 HydrophobicContact CD1-CG2 3.88Å; I272-V299 HydrophobicContact CG2-CG2 4.3Å; I272-V299 CarbonylContact O-C 3.57Å; I272-V299 WeakPolarHBondContact O-CA 3.22Å; A286-V299 HydrophobicContact CB-CG1 4.01Å; A286-V299 WeakPolarHBondContact O-CG2 3.45Å; K290-V299 HydrophobicContact CB-CG2 3.63Å; K290-V299 HydrophobicContact CD-CG2 3.81Å; K290-V299 HydrophobicContact CG-CG2 3.99Å; V299-I301 HydrophobicContact CG1-CD1 3.47Å; V299-I301 VanDerWaalsContact CG1-CD1 3.47Å; V299-I301 HydrophobicContact CG1-CG1 4.12Å
300K98.5Very high95.7Very high102 Ų10251 Ų5144%0.44326%0.259SS..EExtended strand (participates in β ladder)trans-129.5115.8169.9-67.2-63.1178.4-168.50109.8L271 I272 I273 W274 I320L271-K300 HydrophobicContact CD1-CB 4.24Å; L271-K300 HydrophobicContact CD1-CG 3.64Å; I272-K300 PolarHBondContact O-N 3.16Å; I273-K300 VanDerWaalsContact CA-O 3.31Å; I273-K300 WeakPolarHBondContact CA-O 3.47Å; W274-K300 PolarHBondContact N-O 2.81Å; K300-I320 HydrophobicContact CB-CD1 4.41Å; K300-I320 HydrophobicContact CB-CG2 4.14Å; K300-I320 HydrophobicContact CG-CG2 4.1Å
301I98.5Very high95.8Very high60 Ų6050.3 Ų50.331%0.30826%0.257SS..EExtended strand (participates in β ladder)trans-92.2131.6175.8-49.9-54000108.8W274 E276 V283 A286 V299W274-I301 HydrophobicContact CB-CD1 3.72Å; W274-I301 CarbonylContact O-C 3.5Å; W274-I301 VanDerWaalsContact O-CA 3.31Å; W274-I301 WeakPolarHBondContact O-CA 3.4Å; E276-I301 HydrophobicContact CB-CG2 3.83Å; V283-I301 HydrophobicContact CG2-CD1 3.61Å; V283-I301 HydrophobicContact CG2-CG1 4.21Å; V283-I301 HydrophobicContact CG2-CG2 4.09Å; A286-I301 HydrophobicContact CB-CD1 4.12Å; V299-I301 HydrophobicContact CG1-CD1 3.47Å; V299-I301 VanDerWaalsContact CG1-CD1 3.47Å; V299-I301 HydrophobicContact CG1-CG1 4.12Å
302I98.4Very high96Very high0 Ų045 Ų450%023%0.232CC..EExtended strand (participates in β ladder)trans-95.5119.5173.4-60.3-175.5000107.9I273 W274 E276 T305 A309 D313 M316 F317 I320I273-I302 HydrophobicContact CG2-CD1 3.62Å; I273-I302 HydrophobicContact CG2-CG1 3.92Å; W274-I302 PolarHBondContact O-N 3.02Å; E276-I302 WeakPolarHBondContact CB-O 3.42Å; E276-I302 PolarHBondContact N-O 3.09Å; I302-T305 HydrophobicContact CG2-CG2 3.63Å; I302-T305 WeakPolarHBondContact CG2-OG1 3.17Å; I302-T305 PolarHBondContact O-OG1 3.46Å; I302-T305 VanDerWaalsContact O-OG1 3.05Å; I302-A309 HydrophobicContact CB-CB 4.43Å; I302-A309 HydrophobicContact CD1-CB 4.2Å; I302-D313 HydrophobicContact CG2-CB 4.17Å; I302-M316 HydrophobicContact CG2-CG 4.5Å; I302-M316 HydrophobicContact CG2-SD 4.04Å; I302-F317 HydrophobicContact CD1-CB 3.8Å; I302-F317 HydrophobicContact CD1-CD2 3.77Å; I302-F317 HydrophobicContact CD1-CG 4.28Å; I302-I320 HydrophobicContact CD1-CD1 4.23Å; I302-I320 HydrophobicContact CG1-CD1 3.94Å
303P97.7Very high96.3Very high51 Ų5146.1 Ų46.133%0.33124%0.239SC..THydrogen-bonded Turntrans-72.1152.5-177.231.1-35.4000111.5E276 T305 M316E276-P303 VanDerWaalsContact OE2-CA 3.23Å; E276-P303 WeakPolarHBondContact OE2-CA 3.5Å; P303-T305 PolarHBondContact O-N 3.34Å; P303-M316 HydrophobicContact CG-CE 4.44Å; P303-M316 HydrophobicContact CG-SD 4.25Å
304N96.8Very high96.6Very high90 Ų9047.8 Ų47.848%0.48125%0.25SC..THydrogen-bonded Turntrans58.722.7177.9-54.5-82000115.6H220 E276H220-N304 PolarHBondContact CD2-O 2.99Å; E276-N304 PolarHBondContact OE2-N 2.86Å
305T97.8Very high97Very high3 Ų353.7 Ų53.72%0.01827%0.267CS..  trans-123.6152.917562.40000111.6G275 E276 F277 I302 P303 A309 E312 D313G275-T305 CarbonylContact C-O 3.54Å; G275-T305 WeakPolarHBondContact CA-O 3.19Å; G275-T305 WeakPolarHBondContact CA-OG1 3.27Å; E276-T305 PolarHBondContact N-O 2.89Å; F277-T305 PolarHBondContact N-O 3.24Å; I302-T305 HydrophobicContact CG2-CG2 3.63Å; I302-T305 WeakPolarHBondContact CG2-OG1 3.17Å; I302-T305 PolarHBondContact O-OG1 3.46Å; I302-T305 VanDerWaalsContact O-OG1 3.05Å; P303-T305 PolarHBondContact O-N 3.34Å; T305-A309 WeakPolarHBondContact OG1-CB 3.5Å; T305-E312 HydrophobicContact CG2-CB 3.68Å; T305-D313 HydrophobicContact CG2-CB 3.88Å
306G96.9Very high97.3Very high0 Ų047.5 Ų47.50%024%0.238CC..  trans-97.9-148.5173.100000111.9G275 L308 A309 E312G275-G306 WeakPolarHBondContact CA-O 3.49Å; G306-L308 PolarHBondContact O-N 3.4Å; G306-L308 VanDerWaalsContact O-N 3.17Å; G306-A309 PolarHBondContact O-N 3.19Å; G306-E312 WeakPolarHBondContact CA-OE1 3.49Å; G306-E312 PolarHBondContact N-OE1 2.62Å
307H97.4Very high97.5Very high10 Ų1042.1 Ų42.15%0.04622%0.215CC..THydrogen-bonded Turntrans-59.6-26.3-177.1-16958.6000114.3S146 D177 C218 D278 I280 F281 A309S146-H307 WeakPolarHBondContact CB-NE2 3.48Å; S146-H307 PolarHBondContact OG-CE1 2.95Å; S146-H307 PolarHBondContact OG-NE2 3.39Å; D177-H307 WeakPolarHBondContact CB-O 3.22Å; D177-H307 PolarHBondContact O-CE1 2.99Å; C218-H307 HydrophobicContact CB-CB 4.47Å; C218-H307 WeakPolarHBondContact O-CB 3.48Å; C218-H307 PolarHBondContact O-N 2.77Å; D278-H307 VanDerWaalsContact CG-CA 3.47Å; D278-H307 VanDerWaalsContact OD1-CB 3.32Å; D278-H307 WeakPolarHBondContact OD1-CB 3.27Å; D278-H307 IonicContact OD1-CG 3.49Å; D278-H307 IonicContact OD1-ND1 2.8Å; D278-H307 PolarHBondContact OD1-ND1 2.91Å; D278-H307 WeakPolarHBondContact OD2-CA 3.4Å; D278-H307 IonicContact OD2-CE1 3.25Å; D278-H307 IonicContact OD2-CG 3.42Å; D278-H307 IonicContact OD2-ND1 2.62Å; D278-H307 PolarHBondContact OD2-ND1 3.28Å; I280-H307 HydrophobicContact CB-CB 4.19Å; I280-H307 HydrophobicContact CG1-CB 3.84Å; F281-H307 AromaticContact CD2-CE1 3.45Å; F281-H307 VanDerWaalsContact CD2-CE1 3.45Å; F281-H307 WeakPolarHBondContact CD2-CE1 3.24Å; F281-H307 AromaticContact CD2-ND1 3.91Å; F281-H307 AromaticContact CE2-CE1 3.46Å; F281-H307 VanDerWaalsContact CE2-CE1 3.46Å; F281-H307 WeakPolarHBondContact CE2-CE1 3.2Å; H307-A309 PolarHBondContact O-N 3.21Å
308L96.4Very high97.6Very high29 Ų2942.6 Ų42.615%0.15222%0.217CC..THydrogen-bonded Turntrans-101.846.8-178.4-56.5177.3000110.6C218 V219 G306 H310 Q311 E312C218-L308 HydrophobicContact CB-CD1 3.83Å; C218-L308 HydrophobicContact CB-CG 4.02Å; C218-L308 PolarHBondContact O-N 3.06Å; V219-L308 HydrophobicContact CG2-CD1 4.02Å; G306-L308 PolarHBondContact O-N 3.4Å; G306-L308 VanDerWaalsContact O-N 3.17Å; L308-H310 PolarHBondContact O-N 3.25Å; L308-H310 VanDerWaalsContact O-N 3.13Å; L308-Q311 HydrophobicContact CB-CB 4.27Å; L308-Q311 HydrophobicContact CB-CG 4.45Å; L308-Q311 WeakPolarHBondContact O-CA 3.47Å; L308-Q311 PolarHBondContact O-N 2.85Å; L308-E312 PolarHBondContact O-N 2.77Å
309A97.1Very high97.7Very high0 Ų044.1 Ų44.10%022%0.223CC..Hα-helixtrans-54.1-37.9-173.700000113.1I302 T305 G306 H307 Q311 E312 D313I302-A309 HydrophobicContact CB-CB 4.43Å; I302-A309 HydrophobicContact CD1-CB 4.2Å; T305-A309 WeakPolarHBondContact OG1-CB 3.5Å; G306-A309 PolarHBondContact O-N 3.19Å; H307-A309 PolarHBondContact O-N 3.21Å; A309-Q311 PolarHBondContact O-N 2.96Å; A309-E312 PolarHBondContact O-N 2.82Å; A309-D313 PolarHBondContact O-N 3.2Å
310H97.1Very high97.7Very high0 Ų044.5 Ų44.50%022%0.224CC..Hα-helixtrans-64.6-22.1175.966.8-78.2000114.5Q78 Q82 T145 L308 P314 F317Q78-H310 PolarHBondContact O-CD2 3.23Å; Q78-H310 PolarHBondContact O-NE2 3.22Å; Q82-H310 PolarHBondContact NE2-O 3.23Å; T145-H310 PolarHBondContact OG1-CE1 3.15Å; L308-H310 PolarHBondContact O-N 3.25Å; L308-H310 VanDerWaalsContact O-N 3.13Å; H310-P314 WeakPolarHBondContact O-CA 3.26Å; H310-F317 HydrophobicContact CB-CD1 3.76Å; H310-F317 HydrophobicContact CB-CD2 3.57Å; H310-F317 HydrophobicContact CB-CE1 3.69Å; H310-F317 HydrophobicContact CB-CE2 3.53Å; H310-F317 HydrophobicContact CB-CG 3.7Å; H310-F317 HydrophobicContact CB-CZ 3.58Å
311Q96.4Very high97.7Very high76 Ų7639.7 Ų39.736%0.35520%0.203SC..Hα-helixtrans-99.7-30.3176.4-54.7-173.2-89.200112.6W77 L308 A309W77-Q311 PolarHBondContact O-NE2 3.28Å; L308-Q311 HydrophobicContact CB-CB 4.27Å; L308-Q311 HydrophobicContact CB-CG 4.45Å; L308-Q311 WeakPolarHBondContact O-CA 3.47Å; L308-Q311 PolarHBondContact O-N 2.85Å; A309-Q311 PolarHBondContact O-N 2.96Å
312E96.7Very high97.7Very high55 Ų5537.8 Ų37.826%0.25719%0.193SC..Hα-helixtrans-78.1-43-179.3-71.5-169.6-98.300113V219 H220 T305 G306 L308 A309V219-E312 HydrophobicContact CG1-CG 4.03Å; V219-E312 VanDerWaalsContact CG1-OE2 3.25Å; V219-E312 WeakPolarHBondContact CG1-OE2 3.31Å; H220-E312 PolarHBondContact N-OE1 3.25Å; H220-E312 PolarHBondContact N-OE2 2.96Å; T305-E312 HydrophobicContact CG2-CB 3.68Å; G306-E312 WeakPolarHBondContact CA-OE1 3.49Å; G306-E312 PolarHBondContact N-OE1 2.62Å; L308-E312 PolarHBondContact O-N 2.77Å; A309-E312 PolarHBondContact O-N 2.82Å
313D97.6Very high97.6Very high47 Ų4746.4 Ų46.425%0.25123%0.231SC..SBendtrans-127.774.4170.2-168.4-15.3000110.5I302 T305 A309 K315 M316 F317I302-D313 HydrophobicContact CG2-CB 4.17Å; T305-D313 HydrophobicContact CG2-CB 3.88Å; A309-D313 PolarHBondContact O-N 3.2Å; D313-K315 PolarHBondContact O-N 3.44Å; D313-K315 VanDerWaalsContact O-N 3.16Å; D313-K315 PolarHBondContact OD1-N 2.69Å; D313-M316 HydrophobicContact CB-CB 4.38Å; D313-M316 VanDerWaalsContact CG-CB 3.49Å; D313-M316 PolarHBondContact O-N 2.75Å; D313-M316 PolarHBondContact OD1-N 2.65Å; D313-M316 WeakPolarHBondContact OD2-CB 3.44Å; D313-F317 VanDerWaalsContact O-CB 3.27Å; D313-F317 WeakPolarHBondContact O-CB 3.18Å; D313-F317 PolarHBondContact O-N 3.26Å
314P97.7Very high97.6Very high42 Ų4245.6 Ų45.627%0.27322%0.222SC..Hα-helixtrans-62.4-25.3-179.324.8-33.9000112.1A81 H310 N318A81-P314 HydrophobicContact CB-CB 3.5Å; A81-P314 VanDerWaalsContact CB-CB 3.5Å; A81-P314 HydrophobicContact CB-CG 4.24Å; H310-P314 WeakPolarHBondContact O-CA 3.26Å; P314-N318 WeakPolarHBondContact O-CB 3.11Å; P314-N318 PolarHBondContact O-N 3.35Å; P314-N318 PolarHBondContact O-ND2 3.2Å
315K98.2Very high97.7Very high156 Ų15641.4 Ų41.468%0.67820%0.199SC*.Hα-helixtrans-69.7-56.6-180-176.3-174.9174.8-171.30110D313 F317 N318 D319D313-K315 PolarHBondContact O-N 3.44Å; D313-K315 VanDerWaalsContact O-N 3.16Å; D313-K315 PolarHBondContact OD1-N 2.69Å; K315-F317 VanDerWaalsContact C-N 3.31Å; K315-F317 PolarHBondContact O-N 3.34Å; K315-N318 PolarHBondContact O-N 3.33Å; K315-D319 VanDerWaalsContact O-CG 3.3Å; K315-D319 PolarHBondContact O-N 3.19Å
316M98.4Very high97.6Very high70 Ų7043.7 Ų43.735%0.34521%0.212SC..Hα-helixtrans-63-41.1179.5-174.9172.3-66.700111.3I302 P303 D313 N318 D319 I320I302-M316 HydrophobicContact CG2-CG 4.5Å; I302-M316 HydrophobicContact CG2-SD 4.04Å; P303-M316 HydrophobicContact CG-CE 4.44Å; P303-M316 HydrophobicContact CG-SD 4.25Å; D313-M316 HydrophobicContact CB-CB 4.38Å; D313-M316 VanDerWaalsContact CG-CB 3.49Å; D313-M316 PolarHBondContact O-N 2.75Å; D313-M316 PolarHBondContact OD1-N 2.65Å; D313-M316 WeakPolarHBondContact OD2-CB 3.44Å; M316-N318 PolarHBondContact O-N 3.11Å; M316-D319 PolarHBondContact O-N 2.85Å; M316-I320 HydrophobicContact CG-CD1 3.85Å; M316-I320 HydrophobicContact CG-CG1 4.46Å; M316-I320 WeakPolarHBondContact O-CG1 3.23Å; M316-I320 PolarHBondContact O-N 2.82Å
317F98.7Very high97Very high0 Ų048.8 Ų48.80%025%0.245CC..Hα-helixtrans-58.1-49175.7-176.8-87.3000111.8W79 Q82 C176 I273 I302 H310 D313 K315 D319 I320 L321W79-F317 HydrophobicContact CZ3-CE1 4.26Å; W79-F317 HydrophobicContact CZ3-CZ 4.29Å; Q82-F317 HydrophobicContact CG-CD1 3.95Å; Q82-F317 HydrophobicContact CG-CE1 3.76Å; C176-F317 HydrophobicContact CB-CE2 4.15Å; C176-F317 HydrophobicContact CB-CZ 4.42Å; C176-F317 VanDerWaalsContact SG-CE2 3.56Å; C176-F317 WeakPolarHBondContact SG-CZ 3.47Å; I273-F317 HydrophobicContact CB-CE2 4.22Å; I273-F317 HydrophobicContact CD1-CD2 4.12Å; I273-F317 HydrophobicContact CD1-CE2 3.68Å; I273-F317 HydrophobicContact CD1-CZ 4.1Å; I273-F317 HydrophobicContact CG2-CD2 3.88Å; I273-F317 HydrophobicContact CG2-CE2 3.9Å; I302-F317 HydrophobicContact CD1-CB 3.8Å; I302-F317 HydrophobicContact CD1-CD2 3.77Å; I302-F317 HydrophobicContact CD1-CG 4.28Å; H310-F317 HydrophobicContact CB-CD1 3.76Å; H310-F317 HydrophobicContact CB-CD2 3.57Å; H310-F317 HydrophobicContact CB-CE1 3.69Å; H310-F317 HydrophobicContact CB-CE2 3.53Å; H310-F317 HydrophobicContact CB-CG 3.7Å; H310-F317 HydrophobicContact CB-CZ 3.58Å; D313-F317 VanDerWaalsContact O-CB 3.27Å; D313-F317 WeakPolarHBondContact O-CB 3.18Å; D313-F317 PolarHBondContact O-N 3.26Å; K315-F317 VanDerWaalsContact C-N 3.31Å; K315-F317 PolarHBondContact O-N 3.34Å; F317-D319 VanDerWaalsContact C-N 3.34Å; F317-D319 PolarHBondContact O-N 3.01Å; F317-I320 PolarHBondContact O-N 2.92Å; F317-L321 HydrophobicContact CD1-CD2 4.48Å; F317-L321 HydrophobicContact CE1-CB 4.41Å; F317-L321 HydrophobicContact CE1-CD2 3.77Å; F317-L321 HydrophobicContact CZ-CD2 4.48Å; F317-L321 VanDerWaalsContact O-CB 3.27Å; F317-L321 WeakPolarHBondContact O-CB 3.36Å; F317-L321 PolarHBondContact O-N 3.15Å
318N98.6Very high96Very high13 Ų1353.4 Ų53.47%0.0728%0.278CS..Hα-helixtrans-64.5-38179.8-71.6-23.2000112.2A81 Q82 P314 K315 M316 L321 L322A81-N318 PolarHBondContact O-ND2 3.49Å; Q82-N318 VanDerWaalsContact CG-OD1 3.23Å; Q82-N318 WeakPolarHBondContact CG-OD1 3.49Å; Q82-N318 PolarHBondContact NE2-OD1 3.43Å; P314-N318 WeakPolarHBondContact O-CB 3.11Å; P314-N318 PolarHBondContact O-N 3.35Å; P314-N318 PolarHBondContact O-ND2 3.2Å; K315-N318 PolarHBondContact O-N 3.33Å; M316-N318 PolarHBondContact O-N 3.11Å; N318-L321 PolarHBondContact O-N 3.47Å; N318-L322 VanDerWaalsContact O-CB 3.24Å; N318-L322 WeakPolarHBondContact O-CB 3.47Å; N318-L322 VanDerWaalsContact O-CG 3.27Å; N318-L322 WeakPolarHBondContact O-CG 3.07Å; N318-L322 PolarHBondContact O-N 2.92Å
319D98.3Very high94Very high96 Ų9657.7 Ų57.751%0.51331%0.307SS..Hα-helixtrans-64.5-44.5177.5-71.8-17.7000111.2K315 M316 F317 K323K315-D319 VanDerWaalsContact O-CG 3.3Å; K315-D319 PolarHBondContact O-N 3.19Å; M316-D319 PolarHBondContact O-N 2.85Å; F317-D319 VanDerWaalsContact C-N 3.34Å; F317-D319 PolarHBondContact O-N 3.01Å; D319-K323 WeakPolarHBondContact O-CB 3.37Å; D319-K323 PolarHBondContact O-N 3.21Å
320I98.4Very high91.7Very high35 Ų3562.1 Ų62.118%0.17934%0.344CS..Hα-helixtrans-62.2-49.4175.2-70.5166.9000110.4L271 I273 K300 I302 M316 F317 K323 F324L271-I320 HydrophobicContact CD2-CG2 3.85Å; I273-I320 HydrophobicContact CD1-CG2 3.86Å; I273-I320 HydrophobicContact CG1-CG2 4.22Å; K300-I320 HydrophobicContact CB-CD1 4.41Å; K300-I320 HydrophobicContact CB-CG2 4.14Å; K300-I320 HydrophobicContact CG-CG2 4.1Å; I302-I320 HydrophobicContact CD1-CD1 4.23Å; I302-I320 HydrophobicContact CG1-CD1 3.94Å; M316-I320 HydrophobicContact CG-CD1 3.85Å; M316-I320 HydrophobicContact CG-CG1 4.46Å; M316-I320 WeakPolarHBondContact O-CG1 3.23Å; M316-I320 PolarHBondContact O-N 2.82Å; F317-I320 PolarHBondContact O-N 2.92Å; I320-K323 PolarHBondContact O-N 2.92Å; I320-F324 PolarHBondContact O-N 3.33Å; I320-F324 VanDerWaalsContact O-N 3.08Å
321L98.3Very high89.2Confident0 Ų068 Ų680%038%0.38CS..Hα-helixtrans-62.5-48.6-177.3-178.960.4000111.7L86 V143 V174 F317 N318 F324 L325L86-L321 HydrophobicContact CD1-CD2 3.91Å; L86-L321 HydrophobicContact CD2-CD2 3.91Å; L86-L321 HydrophobicContact CD2-CG 4.18Å; L86-L321 HydrophobicContact CG-CD2 4.37Å; V143-L321 HydrophobicContact CG1-CD1 4.41Å; V143-L321 HydrophobicContact CG2-CD1 4.02Å; V174-L321 HydrophobicContact CB-CD1 4.24Å; V174-L321 HydrophobicContact CG1-CD1 4.03Å; V174-L321 HydrophobicContact CG2-CD1 3.75Å; F317-L321 HydrophobicContact CD1-CD2 4.48Å; F317-L321 HydrophobicContact CE1-CB 4.41Å; F317-L321 HydrophobicContact CE1-CD2 3.77Å; F317-L321 HydrophobicContact CZ-CD2 4.48Å; F317-L321 VanDerWaalsContact O-CB 3.27Å; F317-L321 WeakPolarHBondContact O-CB 3.36Å; F317-L321 PolarHBondContact O-N 3.15Å; N318-L321 PolarHBondContact O-N 3.47Å; L321-F324 PolarHBondContact O-N 3.01Å; L321-L325 HydrophobicContact CD1-CD1 3.67Å; L321-L325 HydrophobicContact CD1-CG 3.91Å; L321-L325 HydrophobicContact CG-CD1 3.89Å; L321-L325 HydrophobicContact CG-CG 4.39Å; L321-L325 WeakPolarHBondContact O-CB 3.24Å; L321-L325 WeakPolarHBondContact O-CG 3.46Å; L321-L325 PolarHBondContact O-N 3.02Å
322L98.2Very high86.6Confident20 Ų2068.5 Ų68.511%0.10540%0.397CS..Hα-helixtrans-63.5-43.6178.8-76.4169.1000111.7P85 L86 F90 N318 F324 L325 L326P85-L322 HydrophobicContact CB-CD1 4.14Å; L86-L322 HydrophobicContact CD2-CD2 3.85Å; L86-L322 HydrophobicContact CD2-CG 4.37Å; F90-L322 HydrophobicContact CE2-CD2 4.13Å; N318-L322 VanDerWaalsContact O-CB 3.24Å; N318-L322 WeakPolarHBondContact O-CB 3.47Å; N318-L322 VanDerWaalsContact O-CG 3.27Å; N318-L322 WeakPolarHBondContact O-CG 3.07Å; N318-L322 PolarHBondContact O-N 2.92Å; L322-F324 PolarHBondContact O-N 2.94Å; L322-L325 PolarHBondContact O-N 3.45Å; L322-L326 HydrophobicContact CB-CD1 4.32Å; L322-L326 HydrophobicContact CD2-CD1 4.43Å; L322-L326 VanDerWaalsContact O-CB 3.24Å; L322-L326 WeakPolarHBondContact O-CB 3.27Å; L322-L326 VanDerWaalsContact O-CG 3.25Å; L322-L326 WeakPolarHBondContact O-CG 3.46Å; L322-L326 PolarHBondContact O-N 2.97Å
323K97.5Very high84Confident181 Ų18173.3 Ų73.379%0.78742%0.424SS*.Hα-helixtrans-60.1-35.2177.9-178.4174.6179.4175.30112.1D319 I320D319-K323 WeakPolarHBondContact O-CB 3.37Å; D319-K323 PolarHBondContact O-N 3.21Å; I320-K323 PolarHBondContact O-N 2.92Å
324F98Very high81.2Confident34 Ų3474.4 Ų74.415%0.14945%0.447CS..Hα-helixtrans-77.8-45.9177.6178.1-108.7000112.5K172 V174 E269 L271 I320 L321 L322K172-F324 HydrophobicContact CB-CD1 4.45Å; K172-F324 HydrophobicContact CB-CE1 3.66Å; K172-F324 HydrophobicContact CB-CZ 4.03Å; K172-F324 HydrophobicContact CD-CD1 4.35Å; K172-F324 HydrophobicContact CD-CE1 4.12Å; K172-F324 HydrophobicContact CD-CZ 4.24Å; K172-F324 WeakPolarHBondContact CD-O 3.36Å; K172-F324 WeakPolarHBondContact CE-O 3.4Å; K172-F324 HydrophobicContact CG-CE1 4.23Å; K172-F324 HydrophobicContact CG-CZ 4.23Å; K172-F324 PolarHBondContact NZ-O 3.46Å; V174-F324 HydrophobicContact CG2-CD1 3.65Å; V174-F324 HydrophobicContact CG2-CE1 3.68Å; E269-F324 HydrophobicContact CB-CE2 4.22Å; E269-F324 HydrophobicContact CB-CZ 4Å; L271-F324 HydrophobicContact CB-CD1 3.54Å; L271-F324 HydrophobicContact CB-CD2 3.93Å; L271-F324 HydrophobicContact CB-CE1 3.45Å; L271-F324 VanDerWaalsContact CB-CE1 3.45Å; L271-F324 HydrophobicContact CB-CE2 3.88Å; L271-F324 HydrophobicContact CB-CG 3.77Å; L271-F324 HydrophobicContact CB-CZ 3.64Å; L271-F324 HydrophobicContact CD2-CB 3.62Å; L271-F324 HydrophobicContact CD2-CD1 3.8Å; L271-F324 HydrophobicContact CD2-CD2 4.36Å; L271-F324 HydrophobicContact CD2-CG 3.67Å; L271-F324 HydrophobicContact CG-CD1 4.31Å; L271-F324 HydrophobicContact CG-CG 4.25Å; I320-F324 PolarHBondContact O-N 3.33Å; I320-F324 VanDerWaalsContact O-N 3.08Å; L321-F324 PolarHBondContact O-N 3.01Å; L322-F324 PolarHBondContact O-N 2.94Å
325L97.7Very high78.3Confident2 Ų276.7 Ų76.71%0.0147%0.469CS..Hα-helixtrans-71.9-42.3-175.7-67.3-179.2000112.5V65 L86 F90 H141 V143 K172 V174 L321 L322V65-L325 HydrophobicContact CG1-CD1 4.45Å; V65-L325 HydrophobicContact CG2-CD1 4.03Å; L86-L325 HydrophobicContact CD2-CD1 4.19Å; F90-L325 HydrophobicContact CE1-CB 4.35Å; F90-L325 HydrophobicContact CE2-CB 4.07Å; F90-L325 HydrophobicContact CE2-CD1 4.34Å; F90-L325 HydrophobicContact CZ-CB 3.58Å; F90-L325 HydrophobicContact CZ-CD1 4.46Å; H141-L325 HydrophobicContact CB-CD2 3.85Å; V143-L325 HydrophobicContact CG2-CD1 4.31Å; K172-L325 HydrophobicContact CB-CD2 4.07Å; K172-L325 PolarHBondContact NZ-O 3.36Å; V174-L325 HydrophobicContact CG2-CD2 4.01Å; L321-L325 HydrophobicContact CD1-CD1 3.67Å; L321-L325 HydrophobicContact CD1-CG 3.91Å; L321-L325 HydrophobicContact CG-CD1 3.89Å; L321-L325 HydrophobicContact CG-CG 4.39Å; L321-L325 WeakPolarHBondContact O-CB 3.24Å; L321-L325 WeakPolarHBondContact O-CG 3.46Å; L321-L325 PolarHBondContact O-N 3.02Å; L322-L325 PolarHBondContact O-N 3.45Å
326L95.9Very high75.4Confident52 Ų5282.7 Ų82.727%0.27250%0.496SS..SBendtrans-63149.6-180-68.9171.2000111.2H89 F90 K172 L322 S328H89-L326 HydrophobicContact CB-CD2 3.84Å; F90-L326 HydrophobicContact CE2-CD2 4.16Å; F90-L326 HydrophobicContact CZ-CD2 3.79Å; F90-L326 HydrophobicContact CZ-CG 4.22Å; K172-L326 PolarHBondContact NZ-O 3.49Å; L322-L326 HydrophobicContact CB-CD1 4.32Å; L322-L326 HydrophobicContact CD2-CD1 4.43Å; L322-L326 VanDerWaalsContact O-CB 3.24Å; L322-L326 WeakPolarHBondContact O-CB 3.27Å; L322-L326 VanDerWaalsContact O-CG 3.25Å; L322-L326 WeakPolarHBondContact O-CG 3.46Å; L322-L326 PolarHBondContact O-N 2.97Å; L326-S328 PolarHBondContact O-N 2.86Å
327P85Confident74.2Confident107 Ų10783.4 Ų83.470%0.69550%0.503SS*.PPolyproline II helixtrans-55.8138.7169.4-21.932.5000110
328S75Confident72.9Confident106 Ų10687.7 Ų87.774%0.74153%0.53SS*.PPolyproline II helixtrans-53.5137.4165.3-70.40000108L326 A330L326-S328 PolarHBondContact O-N 2.86Å; S328-A330 PolarHBondContact O-N 3.49Å
329P56Low71.5Confident119 Ų11991.9 Ų91.977%0.77356%0.555SS**PPolyproline II helixtrans-50.3125.7170.7-18.828.7000106.5V331P329-V331 PolarHBondContact O-N 3.45Å
330A48.5Very low69.9Low94 Ų9491.6 Ų91.678%0.77756%0.558SS**PPolyproline II helixtrans-48117.5170.700000105.3S328 A332S328-A330 PolarHBondContact O-N 3.49Å; A330-A332 PolarHBondContact O-N 2.88Å
331V43.6Very low68.2Low122 Ų12295.2 Ų95.274%0.73958%0.581SS**  trans-54.3107.9167.5175.50000102.3P329 N333P329-V331 PolarHBondContact O-N 3.45Å; V331-N333 PolarHBondContact O-N 2.9Å
332A42.7Very low66.1Low88 Ų88101.5 Ų101.573%0.72762%0.62SS**  trans-56.9102.5170.700000102.6A330 G334A330-A332 PolarHBondContact O-N 2.88Å; A332-G334 PolarHBondContact O-N 2.91Å
333N41.5Very low63.9Low155 Ų155107.4 Ų107.483%0.82966%0.657SS**  trans-57.997172.3-89.3-16.6000103.8V331 A335V331-N333 PolarHBondContact O-N 2.9Å; N333-A335 PolarHBondContact O-N 3.21Å
334G40Very low61.3Low70 Ų70101.7 Ų101.772%0.72265%0.647SS**  trans-58.2112.9179.200000105.8A332A332-G334 PolarHBondContact O-N 2.91Å
335A35.7Very low58.2Low90 Ų90107.3 Ų107.374%0.74469%0.688SS**  trans-5.9128.9155.600000116.6N333N333-A335 PolarHBondContact O-N 3.21Å
336K36.8Very low54.6Low283 Ų283116.9 Ų116.9100%1.2375%0.75SS**  trans89.50156.6-62.5-175.7178.9-178.30117.2

Retrieved 336 of 336 residues in 1520.3 ms (Link to these results)

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