A0A087X2Q7_POEFO Loading...

Metallophosphoesterase 1

Metallophosphoesterase that catalyzes the removal of a side-chain ethanolamine-phosphate (EtNP) from the second mannose of the GPI-anchor protein intermediate. Participates in the glycan remodeling steps of GPI-anchor maturation to allow an efficient transport of GPI-anchor proteins from the endoplasmic reticulum to the Golgi.

AlphaFold DB , UniProt , Accession A0A087X2Q7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 393 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
1M38.7Very low61.6Low236 Ų236104.1 Ų104.1100%1.16359%0.587SS**  0107.40-72.8172.988.500108.3K3M1-K3 PolarHBondContact O-N 2.92Å
2L40.4Very low63.7Low148 Ų148100.2 Ų100.278%0.77558%0.577SS**  trans-68.2112.9174.2-98.582.3000108.8F4L2-F4 HydrophobicContact CB-CD2 4.34Å; L2-F4 HydrophobicContact CB-CE2 3.98Å; L2-F4 HydrophobicContact CD2-CE2 4.17Å; L2-F4 HydrophobicContact CD2-CZ 3.91Å; L2-F4 PolarHBondContact O-N 2.82Å
3K41.3Very low65.3Low209 Ų20999.5 Ų99.591%0.90957%0.569SS**  trans-79.499168.2-76.8-177.2176.3179.20107.7M1 S5M1-K3 PolarHBondContact O-N 2.92Å; K3-S5 PolarHBondContact O-N 2.71Å
4F46.8Very low66.8Low144 Ų14494.9 Ų94.963%0.63254%0.542SS*.  trans-70128.2168.2-74.2-84.3000109.1L2 V9L2-F4 HydrophobicContact CB-CD2 4.34Å; L2-F4 HydrophobicContact CB-CE2 3.98Å; L2-F4 HydrophobicContact CD2-CE2 4.17Å; L2-F4 HydrophobicContact CD2-CZ 3.91Å; L2-F4 PolarHBondContact O-N 2.82Å; F4-V9 HydrophobicContact CB-CG2 4.05Å
5S62.2Low68.3Low74 Ų7495.1 Ų95.152%0.51754%0.54SS..  trans-62.6146.4168172.20000109.3K3 S7 S8 V9K3-S5 PolarHBondContact O-N 2.71Å; S5-S7 PolarHBondContact O-N 2.97Å; S5-S8 WeakPolarHBondContact O-CA 3.48Å; S5-S8 WeakPolarHBondContact O-CB 3.34Å; S5-S8 PolarHBondContact O-N 3.24Å; S5-V9 PolarHBondContact O-N 3.11Å
6G64Low69.7Low51 Ų5192.9 Ų92.953%0.52654%0.537SS..Hα-helixtrans-53.9-29.4178.200000113.5V9 V10G6-V9 PolarHBondContact O-N 3.42Å; G6-V10 WeakPolarHBondContact O-CG2 3.48Å; G6-V10 PolarHBondContact O-N 3.13Å
7S69.1Low71Confident71 Ų7190.6 Ų90.650%0.49752%0.524SS..Hα-helixtrans-64.9-38.7173178.70000113S5 V9 V10 A11S5-S7 PolarHBondContact O-N 2.97Å; S7-V9 VanDerWaalsContact C-N 3.34Å; S7-V9 PolarHBondContact O-N 2.87Å; S7-V10 PolarHBondContact O-N 2.98Å; S7-A11 WeakPolarHBondContact O-CB 3.41Å; S7-A11 PolarHBondContact O-N 3.24Å
8S75.1Confident72.2Confident57 Ų5789.9 Ų89.940%0.39952%0.521SS..Hα-helixtrans-68.7-32.5177.5-53.10000112.5S5 A12S5-S8 WeakPolarHBondContact O-CA 3.48Å; S5-S8 WeakPolarHBondContact O-CB 3.34Å; S5-S8 PolarHBondContact O-N 3.24Å; S8-A12 WeakPolarHBondContact O-CB 3.42Å; S8-A12 PolarHBondContact O-N 3.02Å; S8-A12 VanDerWaalsContact O-N 3.08Å
9V79.6Confident73.4Confident72 Ų7292.5 Ų92.544%0.43653%0.526SS..Hα-helixtrans-70.9-44176.8178.40000110.9F4 S5 G6 S7 A12 L13F4-V9 HydrophobicContact CB-CG2 4.05Å; S5-V9 PolarHBondContact O-N 3.11Å; G6-V9 PolarHBondContact O-N 3.42Å; S7-V9 VanDerWaalsContact C-N 3.34Å; S7-V9 PolarHBondContact O-N 2.87Å; V9-A12 PolarHBondContact O-N 3.17Å; V9-L13 HydrophobicContact CG1-CD1 4.18Å; V9-L13 WeakPolarHBondContact O-CG 3.4Å; V9-L13 PolarHBondContact O-N 3.09Å
10V79Confident74.6Confident38 Ų3889.8 Ų89.823%0.2352%0.519CS..Hα-helixtrans-63.2-45.3176.4173.40000110.8G6 S7 A12 L13 L14 H372G6-V10 WeakPolarHBondContact O-CG2 3.48Å; G6-V10 PolarHBondContact O-N 3.13Å; S7-V10 PolarHBondContact O-N 2.98Å; V10-A12 VanDerWaalsContact C-N 3.33Å; V10-A12 PolarHBondContact O-N 3.17Å; V10-L13 PolarHBondContact O-N 2.89Å; V10-L14 HydrophobicContact CG1-CD1 4.12Å; V10-L14 HydrophobicContact CG1-CG 4.35Å; V10-L14 VanDerWaalsContact O-CG 3.3Å; V10-L14 WeakPolarHBondContact O-CG 3.5Å; V10-L14 PolarHBondContact O-N 3.49Å; V10-H372 HydrophobicContact CG1-CB 4.46Å
11A81.4Confident75.6Confident45 Ų4586.1 Ų86.137%0.37250%0.5SS..Hα-helixtrans-58.2-44175.600000112.4S7 L13 L14 I15S7-A11 WeakPolarHBondContact O-CB 3.41Å; S7-A11 PolarHBondContact O-N 3.24Å; A11-L13 PolarHBondContact O-N 2.66Å; A11-L14 PolarHBondContact O-N 3.46Å; A11-I15 WeakPolarHBondContact O-CB 3.44Å; A11-I15 VanDerWaalsContact O-CG1 3.28Å; A11-I15 WeakPolarHBondContact O-CG1 3.44Å; A11-I15 PolarHBondContact O-N 3.06Å
12A86.3Confident78.4Confident57 Ų5780 Ų8047%0.47147%0.467SS..Hα-helixtrans-63.2-39.6177.100000112.7S8 V9 V10 A16S8-A12 WeakPolarHBondContact O-CB 3.42Å; S8-A12 PolarHBondContact O-N 3.02Å; S8-A12 VanDerWaalsContact O-N 3.08Å; V9-A12 PolarHBondContact O-N 3.17Å; V10-A12 VanDerWaalsContact C-N 3.33Å; V10-A12 PolarHBondContact O-N 3.17Å; A12-A16 WeakPolarHBondContact O-CB 2.96Å; A12-A16 PolarHBondContact O-N 3.01Å
13L84.9Confident81.1Confident91 Ų9178.2 Ų78.248%0.47645%0.453SS..Hα-helixtrans-66.3-42.7176.1-73.4168.9000112.2V9 V10 A11 I15 A16 V17V9-L13 HydrophobicContact CG1-CD1 4.18Å; V9-L13 WeakPolarHBondContact O-CG 3.4Å; V9-L13 PolarHBondContact O-N 3.09Å; V10-L13 PolarHBondContact O-N 2.89Å; A11-L13 PolarHBondContact O-N 2.66Å; L13-I15 VanDerWaalsContact C-N 3.34Å; L13-I15 PolarHBondContact O-N 2.9Å; L13-A16 PolarHBondContact O-N 2.9Å; L13-V17 WeakPolarHBondContact O-CG2 3.47Å; L13-V17 PolarHBondContact O-N 2.78Å
14L86.4Confident83.8Confident35 Ų3571.9 Ų71.918%0.18343%0.425CS..Hα-helixtrans-60.5-45.9176.6-66.3172.3000110.9V10 A11 V17 V18 L365 L368 L369V10-L14 HydrophobicContact CG1-CD1 4.12Å; V10-L14 HydrophobicContact CG1-CG 4.35Å; V10-L14 VanDerWaalsContact O-CG 3.3Å; V10-L14 WeakPolarHBondContact O-CG 3.5Å; V10-L14 PolarHBondContact O-N 3.49Å; A11-L14 PolarHBondContact O-N 3.46Å; L14-V17 PolarHBondContact O-N 2.92Å; L14-V18 WeakPolarHBondContact O-CG2 3.29Å; L14-V18 PolarHBondContact O-N 2.04Å; L14-L365 HydrophobicContact CB-CD2 4.14Å; L14-L365 HydrophobicContact CD2-CB 4.42Å; L14-L365 HydrophobicContact CD2-CD2 3.4Å; L14-L365 HydrophobicContact CG-CD2 4.36Å; L14-L368 HydrophobicContact CD2-CB 4.14Å; L14-L368 HydrophobicContact CD2-CD1 4.25Å; L14-L369 HydrophobicContact CD1-CD2 3.86Å; L14-L369 HydrophobicContact CD2-CG 4.45Å
15I88.7Confident86.2Confident99 Ų9965 Ų6551%0.50840%0.395SS..Hα-helixtrans-57.9-51.9174.5-71.7170.8000109.6A11 L13 V17 V18 F19A11-I15 WeakPolarHBondContact O-CB 3.44Å; A11-I15 VanDerWaalsContact O-CG1 3.28Å; A11-I15 WeakPolarHBondContact O-CG1 3.44Å; A11-I15 PolarHBondContact O-N 3.06Å; L13-I15 VanDerWaalsContact C-N 3.34Å; L13-I15 PolarHBondContact O-N 2.9Å; I15-V17 VanDerWaalsContact C-N 3.31Å; I15-V17 PolarHBondContact O-N 3.19Å; I15-V18 PolarHBondContact O-N 3.44Å; I15-F19 HydrophobicContact CB-CD2 4.43Å; I15-F19 HydrophobicContact CG2-CD2 3.49Å; I15-F19 VanDerWaalsContact CG2-CD2 3.49Å; I15-F19 HydrophobicContact CG2-CE2 3.7Å; I15-F19 WeakPolarHBondContact O-CB 3Å; I15-F19 VanDerWaalsContact O-CD2 3.25Å; I15-F19 WeakPolarHBondContact O-CD2 3.41Å; I15-F19 PolarHBondContact O-N 2.96Å
16A91.2Very high87.8Confident60 Ų6062.3 Ų62.350%0.49638%0.375SS..Hα-helixtrans-58.6-39.5-178.800000113.1A12 L13 G20A12-A16 WeakPolarHBondContact O-CB 2.96Å; A12-A16 PolarHBondContact O-N 3.01Å; L13-A16 PolarHBondContact O-N 2.9Å; A16-G20 WeakPolarHBondContact O-CA 3.32Å; A16-G20 PolarHBondContact O-N 3.16Å
17V91.4Very high89.4Confident53 Ų5363.9 Ų63.932%0.32137%0.365SS..Hα-helixtrans-67.5-46.4177.5170.10000111.4L13 L14 I15 G20 A21 A361 L365L13-V17 WeakPolarHBondContact O-CG2 3.47Å; L13-V17 PolarHBondContact O-N 2.78Å; L14-V17 PolarHBondContact O-N 2.92Å; I15-V17 VanDerWaalsContact C-N 3.31Å; I15-V17 PolarHBondContact O-N 3.19Å; V17-G20 PolarHBondContact O-N 3.06Å; V17-A21 VanDerWaalsContact O-CB 3.29Å; V17-A21 WeakPolarHBondContact O-CB 3.45Å; V17-A21 PolarHBondContact O-N 3.38Å; V17-A361 HydrophobicContact CG1-CB 4.19Å; V17-L365 HydrophobicContact CB-CD2 3.95Å; V17-L365 HydrophobicContact CG1-CD1 4.5Å; V17-L365 HydrophobicContact CG1-CD2 3.86Å; V17-L365 HydrophobicContact CG1-CG 4.04Å
18V93Very high90.8Very high78 Ų7864 Ų6447%0.47336%0.36SS..Hα-helixtrans-63.1-51.8179.2172.40000110.8L14 I15 G20 A21 F22 L365L14-V18 WeakPolarHBondContact O-CG2 3.29Å; L14-V18 PolarHBondContact O-N 2.04Å; I15-V18 PolarHBondContact O-N 3.44Å; V18-G20 VanDerWaalsContact C-N 3.34Å; V18-G20 PolarHBondContact O-N 2.79Å; V18-A21 PolarHBondContact O-N 3.49Å; V18-F22 WeakPolarHBondContact O-CB 3.45Å; V18-F22 PolarHBondContact O-N 3.5Å; V18-L365 HydrophobicContact CG2-CD1 3.49Å; V18-L365 VanDerWaalsContact CG2-CD1 3.49Å; V18-L365 HydrophobicContact CG2-CD2 4.18Å; V18-L365 HydrophobicContact CG2-CG 4.5Å
19F95.1Very high91.9Very high139 Ų13961.6 Ų61.661%0.6134%0.343SS*.Hα-helixtrans-65.6-38.3179.7-80.9-78.9000111.9I15 F23I15-F19 HydrophobicContact CB-CD2 4.43Å; I15-F19 HydrophobicContact CG2-CD2 3.49Å; I15-F19 VanDerWaalsContact CG2-CD2 3.49Å; I15-F19 HydrophobicContact CG2-CE2 3.7Å; I15-F19 WeakPolarHBondContact O-CB 3Å; I15-F19 VanDerWaalsContact O-CD2 3.25Å; I15-F19 WeakPolarHBondContact O-CD2 3.41Å; I15-F19 PolarHBondContact O-N 2.96Å; F19-F23 WeakPolarHBondContact O-CB 3.45Å; F19-F23 PolarHBondContact O-N 3.11Å
20G96.6Very high92.8Very high38 Ų3858.1 Ų58.139%0.39232%0.322SS..Hα-helixtrans-63.7-47.2176.600000112.4A16 V17 V18 F23 F24A16-G20 WeakPolarHBondContact O-CA 3.32Å; A16-G20 PolarHBondContact O-N 3.16Å; V17-G20 PolarHBondContact O-N 3.06Å; V18-G20 VanDerWaalsContact C-N 3.34Å; V18-G20 PolarHBondContact O-N 2.79Å; G20-F23 PolarHBondContact O-N 3.18Å; G20-F24 VanDerWaalsContact O-CB 3.24Å; G20-F24 WeakPolarHBondContact O-CB 2.97Å; G20-F24 PolarHBondContact O-N 3.18Å
21A96.6Very high93.7Very high13 Ų1359.8 Ų59.811%0.10733%0.326CS..Hα-helixtrans-63-46.1176.700000111.5V17 V18 F24 C25 Y358 A361V17-A21 VanDerWaalsContact O-CB 3.29Å; V17-A21 WeakPolarHBondContact O-CB 3.45Å; V17-A21 PolarHBondContact O-N 3.38Å; V18-A21 PolarHBondContact O-N 3.49Å; A21-F24 PolarHBondContact O-N 3.07Å; A21-C25 VanDerWaalsContact O-CB 3.28Å; A21-C25 WeakPolarHBondContact O-CB 3.28Å; A21-C25 PolarHBondContact O-N 3.34Å; A21-C25 PolarHBondContact O-SG 2.99Å; A21-C25 VanDerWaalsContact O-SG 3.38Å; A21-Y358 HydrophobicContact CB-CD1 4.48Å; A21-A361 HydrophobicContact CB-CB 3.81Å
22F96.9Very high94.4Very high109 Ų10960.8 Ų60.848%0.47833%0.328SS..Hα-helixtrans-60.3-50.2176.3-179.7-93.7000111.9V18 F24 C25 E26V18-F22 WeakPolarHBondContact O-CB 3.45Å; V18-F22 PolarHBondContact O-N 3.5Å; F22-F24 VanDerWaalsContact C-N 3.3Å; F22-F24 PolarHBondContact O-N 3.39Å; F22-C25 PolarHBondContact O-N 3.23Å; F22-E26 HydrophobicContact CD1-CG 4.46Å; F22-E26 HydrophobicContact CD2-CG 3.76Å; F22-E26 HydrophobicContact CE1-CB 4.48Å; F22-E26 HydrophobicContact CE1-CG 4.29Å; F22-E26 HydrophobicContact CE2-CG 3.57Å; F22-E26 HydrophobicContact CG-CG 4.22Å; F22-E26 HydrophobicContact CZ-CB 4.39Å; F22-E26 HydrophobicContact CZ-CG 3.86Å; F22-E26 VanDerWaalsContact O-CB 3.27Å; F22-E26 WeakPolarHBondContact O-CB 3.11Å; F22-E26 WeakPolarHBondContact O-CG 3.37Å; F22-E26 PolarHBondContact O-N 2.9Å
23F97.6Very high94.9Very high109 Ų10959.4 Ų59.448%0.47831%0.314SS..Hα-helixtrans-63.1-38.2179.6-176.6-117000112.1F19 G20 Y27 L28F19-F23 WeakPolarHBondContact O-CB 3.45Å; F19-F23 PolarHBondContact O-N 3.11Å; G20-F23 PolarHBondContact O-N 3.18Å; F23-Y27 HydrophobicContact CD2-CD2 4.22Å; F23-Y27 HydrophobicContact CD2-CG 4.47Å; F23-Y27 HydrophobicContact CE2-CG 4.47Å; F23-Y27 WeakPolarHBondContact O-CB 3.4Å; F23-Y27 PolarHBondContact O-N 3.12Å; F23-Y27 VanDerWaalsContact O-N 3.16Å; F23-L28 HydrophobicContact CD1-CD1 3.55Å; F23-L28 HydrophobicContact CD1-CD2 4.38Å; F23-L28 HydrophobicContact CD1-CG 3.73Å; F23-L28 HydrophobicContact CE1-CD1 3.47Å; F23-L28 VanDerWaalsContact CE1-CD1 3.47Å; F23-L28 HydrophobicContact CE1-CD2 3.6Å; F23-L28 HydrophobicContact CE1-CG 3.46Å; F23-L28 VanDerWaalsContact CE1-CG 3.46Å; F23-L28 HydrophobicContact CZ-CD1 4.47Å; F23-L28 HydrophobicContact CZ-CD2 3.84Å; F23-L28 HydrophobicContact CZ-CG 4.02Å; F23-L28 PolarHBondContact O-N 3.14Å
24F97.8Very high95.6Very high76 Ų7655 Ų5533%0.33329%0.291SS..Iπ-helixtrans-64.3-55.5175.5178.9-100000111.8G20 A21 F22 L28 I29 V357G20-F24 VanDerWaalsContact O-CB 3.24Å; G20-F24 WeakPolarHBondContact O-CB 2.97Å; G20-F24 PolarHBondContact O-N 3.18Å; A21-F24 PolarHBondContact O-N 3.07Å; F22-F24 VanDerWaalsContact C-N 3.3Å; F22-F24 PolarHBondContact O-N 3.39Å; F24-L28 HydrophobicContact CD2-CB 4.07Å; F24-L28 PolarHBondContact O-N 3.45Å; F24-L28 VanDerWaalsContact O-N 3.13Å; F24-I29 HydrophobicContact CE1-CB 4.17Å; F24-I29 HydrophobicContact CE1-CD1 3.96Å; F24-I29 HydrophobicContact CE1-CG1 4.07Å; F24-I29 HydrophobicContact CZ-CB 4.17Å; F24-I29 HydrophobicContact CZ-CD1 4.35Å; F24-I29 HydrophobicContact CZ-CG1 4.01Å; F24-I29 WeakPolarHBondContact O-CB 3.36Å; F24-I29 WeakPolarHBondContact O-CG2 3.44Å; F24-I29 PolarHBondContact O-N 3.31Å; F24-V357 HydrophobicContact CD1-CG1 4.21Å; F24-V357 HydrophobicContact CE1-CG2 4.29Å
25C97.6Very high96.1Very high0 Ų058.7 Ų58.70%031%0.311CS..Iπ-helixtrans-68.2-36.8-175-73.40000113.7A21 F22 I29 V354 V357 Y358A21-C25 VanDerWaalsContact O-CB 3.28Å; A21-C25 WeakPolarHBondContact O-CB 3.28Å; A21-C25 PolarHBondContact O-N 3.34Å; A21-C25 PolarHBondContact O-SG 2.99Å; A21-C25 VanDerWaalsContact O-SG 3.38Å; F22-C25 PolarHBondContact O-N 3.23Å; C25-I29 VanDerWaalsContact O-CG2 3.31Å; C25-I29 WeakPolarHBondContact O-CG2 3.3Å; C25-V354 HydrophobicContact CB-CG1 3.67Å; C25-V357 VanDerWaalsContact SG-CG1 3.52Å; C25-Y358 HydrophobicContact CB-CD2 4.35Å; C25-Y358 HydrophobicContact CB-CE1 4.21Å; C25-Y358 HydrophobicContact CB-CE2 3.58Å; C25-Y358 VanDerWaalsContact CB-CZ 3.5Å; C25-Y358 WeakPolarHBondContact CB-OH 3.31Å
26E96.4Very high96.4Very high18 Ų1862.5 Ų62.58%0.08432%0.323CS..Iπ-helixtrans-90.1-17.6-175.9-59.8-46.6136.500113.8F22 R83 W86 Y358F22-E26 HydrophobicContact CD1-CG 4.46Å; F22-E26 HydrophobicContact CD2-CG 3.76Å; F22-E26 HydrophobicContact CE1-CB 4.48Å; F22-E26 HydrophobicContact CE1-CG 4.29Å; F22-E26 HydrophobicContact CE2-CG 3.57Å; F22-E26 HydrophobicContact CG-CG 4.22Å; F22-E26 HydrophobicContact CZ-CB 4.39Å; F22-E26 HydrophobicContact CZ-CG 3.86Å; F22-E26 VanDerWaalsContact O-CB 3.27Å; F22-E26 WeakPolarHBondContact O-CB 3.11Å; F22-E26 WeakPolarHBondContact O-CG 3.37Å; F22-E26 PolarHBondContact O-N 2.9Å; E26-R83 IonicContact OE1-CZ 2.7Å; E26-R83 IonicContact OE1-NH1 3.33Å; E26-R83 PolarHBondContact OE1-NH1 3.11Å; E26-R83 IonicContact OE1-NH2 3.32Å; E26-R83 PolarHBondContact OE1-NH2 3.46Å; E26-R83 IonicContact OE2-CZ 3.63Å; E26-R83 IonicContact OE2-NH1 3.04Å; E26-R83 PolarHBondContact OE2-NH1 3.25Å; E26-R83 IonicContact OE2-NH2 3.55Å; E26-W86 PolarHBondContact O-NE1 2.95Å; E26-W86 PolarHBondContact OE2-NE1 3.25Å; E26-Y358 WeakPolarHBondContact CG-OH 3.39Å; E26-Y358 WeakPolarHBondContact OE1-CE2 3.41Å; E26-Y358 PolarHBondContact OE1-OH 3.21Å
27Y96.4Very high96.7Very high83 Ų8360.6 Ų60.633%0.32531%0.306SS..Iπ-helixtrans-136.8-59.2-176.2-68.1-93000113.9F23 I29 W86F23-Y27 HydrophobicContact CD2-CD2 4.22Å; F23-Y27 HydrophobicContact CD2-CG 4.47Å; F23-Y27 HydrophobicContact CE2-CG 4.47Å; F23-Y27 WeakPolarHBondContact O-CB 3.4Å; F23-Y27 PolarHBondContact O-N 3.12Å; F23-Y27 VanDerWaalsContact O-N 3.16Å; Y27-I29 PolarHBondContact O-N 2.76Å; Y27-W86 HydrophobicContact CD1-CZ2 4.39Å; Y27-W86 HydrophobicContact CD2-CZ2 4.42Å; Y27-W86 AromaticContact CE1-CH2 3.99Å; Y27-W86 HydrophobicContact CE1-CH2 3.99Å; Y27-W86 AromaticContact CE1-CZ2 3.67Å; Y27-W86 HydrophobicContact CE1-CZ2 3.67Å; Y27-W86 HydrophobicContact CE2-CH2 4.37Å; Y27-W86 AromaticContact CE2-CZ2 3.7Å; Y27-W86 HydrophobicContact CE2-CZ2 3.7Å; Y27-W86 AromaticContact CZ-CH2 3.61Å; Y27-W86 AromaticContact CZ-CZ2 3.29Å; Y27-W86 WeakPolarHBondContact OH-CH2 3.27Å; Y27-W86 WeakPolarHBondContact OH-CZ2 3.39Å
28L97.8Very high96.9Very high73 Ų7361.3 Ų61.338%0.38232%0.318SS..Iπ-helixtrans-68.3-35.2-168-64.9177.7000113.4F23 F24 Y30 F31 P32F23-L28 HydrophobicContact CD1-CD1 3.55Å; F23-L28 HydrophobicContact CD1-CD2 4.38Å; F23-L28 HydrophobicContact CD1-CG 3.73Å; F23-L28 HydrophobicContact CE1-CD1 3.47Å; F23-L28 VanDerWaalsContact CE1-CD1 3.47Å; F23-L28 HydrophobicContact CE1-CD2 3.6Å; F23-L28 HydrophobicContact CE1-CG 3.46Å; F23-L28 VanDerWaalsContact CE1-CG 3.46Å; F23-L28 HydrophobicContact CZ-CD1 4.47Å; F23-L28 HydrophobicContact CZ-CD2 3.84Å; F23-L28 HydrophobicContact CZ-CG 4.02Å; F23-L28 PolarHBondContact O-N 3.14Å; F24-L28 HydrophobicContact CD2-CB 4.07Å; F24-L28 PolarHBondContact O-N 3.45Å; F24-L28 VanDerWaalsContact O-N 3.13Å; L28-Y30 PolarHBondContact O-N 3.25Å; L28-Y30 VanDerWaalsContact O-N 3.07Å; L28-F31 PolarHBondContact O-N 3.41Å; L28-P32 WeakPolarHBondContact O-CD 3.17Å
29I98.1Very high97.1Very high7 Ų760.2 Ų60.24%0.03631%0.305CS..THydrogen-bonded Turntrans-57.5-28.3-171-166.4173.3000113.8F24 C25 Y27 P32 T33 P349 T353 V354F24-I29 HydrophobicContact CE1-CB 4.17Å; F24-I29 HydrophobicContact CE1-CD1 3.96Å; F24-I29 HydrophobicContact CE1-CG1 4.07Å; F24-I29 HydrophobicContact CZ-CB 4.17Å; F24-I29 HydrophobicContact CZ-CD1 4.35Å; F24-I29 HydrophobicContact CZ-CG1 4.01Å; F24-I29 WeakPolarHBondContact O-CB 3.36Å; F24-I29 WeakPolarHBondContact O-CG2 3.44Å; F24-I29 PolarHBondContact O-N 3.31Å; C25-I29 VanDerWaalsContact O-CG2 3.31Å; C25-I29 WeakPolarHBondContact O-CG2 3.3Å; Y27-I29 PolarHBondContact O-N 2.76Å; I29-P32 WeakPolarHBondContact O-CD 3.34Å; I29-T33 WeakPolarHBondContact O-CB 3.24Å; I29-T33 PolarHBondContact O-OG1 2.8Å; I29-P349 HydrophobicContact CB-CG 4.46Å; I29-P349 HydrophobicContact CD1-CB 3.83Å; I29-P349 HydrophobicContact CD1-CG 4.47Å; I29-P349 HydrophobicContact CG1-CB 3.89Å; I29-P349 HydrophobicContact CG1-CG 4Å; I29-P349 HydrophobicContact CG2-CB 4.28Å; I29-P349 HydrophobicContact CG2-CG 4.02Å; I29-T353 HydrophobicContact CD1-CG2 4.23Å; I29-V354 HydrophobicContact CD1-CG2 3.81Å
30Y98.4Very high97.1Very high0 Ų054.4 Ų54.40%028%0.281CS..Hα-helixtrans-68.2-35.5178.3-62-81.8000112.6L28 T33 I34 Q87 R90 A91 W323 P349L28-Y30 PolarHBondContact O-N 3.25Å; L28-Y30 VanDerWaalsContact O-N 3.07Å; Y30-T33 PolarHBondContact O-N 3.13Å; Y30-I34 WeakPolarHBondContact O-CB 3.29Å; Y30-I34 VanDerWaalsContact O-CG1 3.29Å; Y30-I34 WeakPolarHBondContact O-CG1 3.49Å; Y30-I34 PolarHBondContact O-N 2.92Å; Y30-Q87 HydrophobicContact CE1-CG 4.11Å; Y30-Q87 WeakPolarHBondContact OH-CA 3.21Å; Y30-Q87 WeakPolarHBondContact OH-CG 3.47Å; Y30-R90 HydrophobicContact CD2-CB 3.76Å; Y30-R90 HydrophobicContact CE1-CB 4.42Å; Y30-R90 HydrophobicContact CE2-CB 3.55Å; Y30-R90 HydrophobicContact CE2-CG 4.21Å; Y30-R90 HydrophobicContact CG-CB 4.29Å; Y30-A91 HydrophobicContact CD1-CB 3.97Å; Y30-A91 HydrophobicContact CE1-CB 4.02Å; Y30-W323 WeakPolarHBondContact OH-CH2 3.42Å; Y30-P349 HydrophobicContact CD1-CG 3.72Å; Y30-P349 HydrophobicContact CE1-CG 3.97Å; Y30-P349 HydrophobicContact CG-CG 4.24Å
31F98.4Very high96.9Very high73 Ų7361.6 Ų61.632%0.3230%0.302SS..Hα-helixtrans-64-58.7-177.7-71.2-98.7000113.3L28 T33 I34 L35 T94 W97 L98L28-F31 PolarHBondContact O-N 3.41Å; F31-T33 PolarHBondContact O-N 2.76Å; F31-I34 PolarHBondContact O-N 3.13Å; F31-L35 WeakPolarHBondContact O-CB 3.4Å; F31-L35 WeakPolarHBondContact O-CD1 3.31Å; F31-L35 WeakPolarHBondContact O-CG 3.3Å; F31-L35 PolarHBondContact O-N 2.87Å; F31-T94 HydrophobicContact CD1-CG2 3.94Å; F31-T94 HydrophobicContact CD2-CG2 4.04Å; F31-T94 HydrophobicContact CE1-CG2 4.05Å; F31-T94 HydrophobicContact CE2-CG2 4.14Å; F31-T94 HydrophobicContact CG-CG2 3.94Å; F31-T94 HydrophobicContact CZ-CG2 4.14Å; F31-W97 HydrophobicContact CD1-CE3 4.29Å; F31-W97 HydrophobicContact CD1-CZ3 4.05Å; F31-W97 AromaticContact CE1-CE3 3.69Å; F31-W97 HydrophobicContact CE1-CE3 3.69Å; F31-W97 AromaticContact CE1-CZ3 3.68Å; F31-W97 HydrophobicContact CE1-CZ3 3.68Å; F31-L98 HydrophobicContact CD1-CD1 4.42Å
32P97.3Very high96.5Very high65 Ų6563.6 Ų63.642%0.42231%0.311SS..Hα-helixtrans-67.2-22-179.830.2-35000112.3L28 I29 K36L28-P32 WeakPolarHBondContact O-CD 3.17Å; I29-P32 WeakPolarHBondContact O-CD 3.34Å; P32-K36 WeakPolarHBondContact O-CG 3.47Å
33T97.3Very high95.1Very high28 Ų2863.2 Ų63.217%0.17232%0.322CS..Hα-helixtrans-74.1-49.8175.8-53.70000110.7I29 Y30 F31 K36 F347 P349I29-T33 WeakPolarHBondContact O-CB 3.24Å; I29-T33 PolarHBondContact O-OG1 2.8Å; Y30-T33 PolarHBondContact O-N 3.13Å; F31-T33 PolarHBondContact O-N 2.76Å; T33-K36 WeakPolarHBondContact O-CB 3.45Å; T33-K36 PolarHBondContact O-N 2.8Å; T33-F347 WeakPolarHBondContact CG2-O 3.41Å; T33-P349 HydrophobicContact CG2-CG 4.19Å
34I98.2Very high93.2Very high0 Ų069.6 Ų69.60%034%0.342CS..Hα-helixtrans-74.9-29.3-179.3-65.3167.1000112Y30 F31 K36 C37 T94 A95 L98 L99 L348Y30-I34 WeakPolarHBondContact O-CB 3.29Å; Y30-I34 VanDerWaalsContact O-CG1 3.29Å; Y30-I34 WeakPolarHBondContact O-CG1 3.49Å; Y30-I34 PolarHBondContact O-N 2.92Å; F31-I34 PolarHBondContact O-N 3.13Å; I34-K36 PolarHBondContact O-N 3.37Å; I34-K36 VanDerWaalsContact O-N 3.12Å; I34-C37 WeakPolarHBondContact O-CB 3.33Å; I34-C37 PolarHBondContact O-N 3.33Å; I34-T94 HydrophobicContact CD1-CG2 3.85Å; I34-A95 HydrophobicContact CD1-CB 4.27Å; I34-L98 HydrophobicContact CB-CD1 3.93Å; I34-L98 HydrophobicContact CG2-CB 4.38Å; I34-L98 HydrophobicContact CG2-CD1 3.74Å; I34-L99 HydrophobicContact CG2-CD1 3.73Å; I34-L99 HydrophobicContact CG2-CG 4.14Å; I34-L348 HydrophobicContact CD1-CD2 4.04Å; I34-L348 HydrophobicContact CG1-CD2 4.12Å
35L97.2Very high90.7Very high112 Ų11270.1 Ų70.159%0.58636%0.36SS*.THydrogen-bonded Turntrans-60.8-19.2174.9-82169.9000113.6F31 C37 L98F31-L35 WeakPolarHBondContact O-CB 3.4Å; F31-L35 WeakPolarHBondContact O-CD1 3.31Å; F31-L35 WeakPolarHBondContact O-CG 3.3Å; F31-L35 PolarHBondContact O-N 2.87Å; L35-C37 PolarHBondContact O-N 2.97Å; L35-L98 HydrophobicContact CD2-CD1 4.16Å; L35-L98 HydrophobicContact CD2-CD2 3.67Å; L35-L98 HydrophobicContact CG-CD1 3.92Å; L35-L98 HydrophobicContact CG-CD2 4.2Å
36K96Very high88Confident178 Ų17882.3 Ų82.377%0.77441%0.407SS*.THydrogen-bonded Turntrans-73.2-15.9173.1-64.9171.5-175178.90112.5P32 T33 I34P32-K36 WeakPolarHBondContact O-CG 3.47Å; T33-K36 WeakPolarHBondContact O-CB 3.45Å; T33-K36 PolarHBondContact O-N 2.8Å; I34-K36 PolarHBondContact O-N 3.37Å; I34-K36 VanDerWaalsContact O-N 3.12Å
37C96.6Very high85.1Confident21 Ų2185.7 Ų85.714%0.14245%0.446CS..  trans-87.2139.7-179.2-51.30000110.3I34 L35 L99 L333 C346I34-C37 WeakPolarHBondContact O-CB 3.33Å; I34-C37 PolarHBondContact O-N 3.33Å; L35-C37 PolarHBondContact O-N 2.97Å; C37-L99 HydrophobicContact CB-CD2 4.43Å; C37-L333 HydrophobicContact CB-CD1 4.12Å; C37-C346 HydrophobicContact CB-CB 3.69Å; C37-C346 WeakPolarHBondContact CB-SG 3.35Å; C37-C346 WeakPolarHBondContact SG-CA 3.44Å; C37-C346 WeakPolarHBondContact SG-CB 3.41Å; C37-C346 CovalentContact SG-SG 2.01Å; C37-C346 PolarHBondContact SG-SG 3.04Å
38A95.7Very high82.3Confident68 Ų6884.7 Ų84.756%0.56246%0.461SS*.  trans-138.1146.6177.900000109.2S344A38-S344 PolarHBondContact O-OG 3.39Å; A38-S344 VanDerWaalsContact O-OG 3.13Å
39W97Very high79.4Confident54 Ų5491.3 Ų91.321%0.20549%0.49CS..PPolyproline II helixtrans-58.4125.7173.3-69.1103.8000110R61 A62 L99 P101 L333W39-R61 HydrophobicContact CD2-CB 4.08Å; W39-R61 HydrophobicContact CD2-CG 3.94Å; W39-R61 HydrophobicContact CE3-CB 3.88Å; W39-R61 HydrophobicContact CE3-CG 3.99Å; W39-R61 HydrophobicContact CG-CG 4.4Å; W39-R61 HydrophobicContact CH2-CB 3.6Å; W39-R61 HydrophobicContact CZ2-CB 3.79Å; W39-R61 HydrophobicContact CZ2-CG 4.46Å; W39-R61 HydrophobicContact CZ3-CB 3.65Å; W39-R61 HydrophobicContact CZ3-CG 4.28Å; W39-A62 WeakPolarHBondContact CZ3-O 3.28Å; W39-L99 HydrophobicContact CZ2-CB 4.15Å; W39-L99 WeakPolarHBondContact CZ2-O 3.43Å; W39-L99 PolarHBondContact NE1-O 3.06Å; W39-P101 HydrophobicContact CH2-CB 3.84Å; W39-P101 HydrophobicContact CZ2-CB 3.92Å; W39-L333 HydrophobicContact CE3-CB 3.96Å; W39-L333 HydrophobicContact CE3-CD2 4.3Å; W39-L333 HydrophobicContact CH2-CD2 3.58Å; W39-L333 HydrophobicContact CZ2-CD2 3.96Å; W39-L333 HydrophobicContact CZ3-CB 3.91Å; W39-L333 HydrophobicContact CZ3-CD2 3.77Å; W39-L333 HydrophobicContact CZ3-CG 4.4Å
40P95.4Very high76.6Confident17 Ų1794 Ų9411%0.1152%0.519CS..PPolyproline II helixtrans-68.6141.1-177.130.3-35.7000109.5S335 S342 S344P40-S335 WeakPolarHBondContact O-CB 3.44Å; P40-S335 PolarHBondContact O-OG 3.44Å; P40-S342 WeakPolarHBondContact CB-OG 3.34Å; P40-S342 VanDerWaalsContact CG-C 3.46Å; P40-S342 WeakPolarHBondContact CG-O 3.32Å; P40-S344 WeakPolarHBondContact CD-OG 3.47Å
41K91.6Very high73.8Confident190 Ų190100.5 Ų100.583%0.82656%0.559SS**PPolyproline II helixtrans-79.3129.5178.6-66.8-178.1-178.71770109.2S43 S342K41-S43 PolarHBondContact O-N 3.26Å; K41-S342 PolarHBondContact O-OG 3.39Å
42L87.9Confident71.1Confident55 Ų55102 Ų10229%0.28857%0.57SS.*PPolyproline II helixtrans-60.4121.9169-73.4171.3000109R44 A59 S335L42-R44 PolarHBondContact O-N 2.87Å; L42-A59 HydrophobicContact CD1-CB 3.65Å; L42-S335 VanDerWaalsContact CD2-O 3.24Å; L42-S335 WeakPolarHBondContact CD2-O 3.46Å
43S69.1Low68.4Low101 Ų101103 Ų10371%0.70659%0.593SS**PPolyproline II helixtrans-65.4128.3168.4450000108.2K41 A45K41-S43 PolarHBondContact O-N 3.26Å; S43-A45 PolarHBondContact O-N 2.94Å; S43-A45 VanDerWaalsContact O-N 3.07Å
44R56.3Low66Low243 Ų243110.5 Ų110.592%0.91762%0.618SS**  trans-62.1112.9165.4-81.6-178.6165.1171.4-5.1106.3L42 R46L42-R44 PolarHBondContact O-N 2.87Å; R44-R46 PolarHBondContact O-N 3.23Å
45A45.5Very low63.6Low86 Ų86114.7 Ų114.771%0.71165%0.645SS**  trans-52.5125.2176.200000109.2S43 G47S43-A45 PolarHBondContact O-N 2.94Å; S43-A45 VanDerWaalsContact O-N 3.07Å; A45-G47 PolarHBondContact O-N 2.98Å
46R40.3Very low61.3Low257 Ų257113.9 Ų113.997%0.9766%0.655SS**THydrogen-bonded Turntrans-68.5111.2164.2-80.1-177.6177.1176.7-0.9106.5R44R44-R46 PolarHBondContact O-N 3.23Å
47G37.5Very low59.3Low88 Ų88111.5 Ų111.591%0.90765%0.65SS**THydrogen-bonded Turntrans124.819.116500000118A45A45-G47 PolarHBondContact O-N 2.98Å
48G36Very low58.2Low63 Ų63112.5 Ų112.565%0.64966%0.66SS**  trans-133.1104.1166.800000110.7G50G48-G50 PolarHBondContact O-N 3.16Å
49E38.4Very low58.1Low212 Ų212109.8 Ų109.899%0.99164%0.638SS**  trans-64.775.9154.1-81-178.3149.400107.9
50G37.6Very low58.1Low63 Ų63107.2 Ų107.265%0.64963%0.628SS**  trans-91.3104.2163.800000107.5G48 D52G48-G50 PolarHBondContact O-N 3.16Å; G50-D52 VanDerWaalsContact C-N 3.34Å; G50-D52 PolarHBondContact O-N 2.94Å
51T41.4Very low58.2Low136 Ų136110.8 Ų110.883%0.83464%0.639SS**  trans-5297.8161.241.10000109.4
52D40.9Very low58.6Low104 Ų104101.8 Ų101.856%0.55660%0.6SS**  trans177107.9145.1-99.42000107.2G50 R54G50-D52 VanDerWaalsContact C-N 3.34Å; G50-D52 PolarHBondContact O-N 2.94Å; D52-R54 HydrophobicContact CB-CG 4.21Å; D52-R54 PolarHBondContact O-N 3.01Å; D52-R54 IonicContact OD2-CZ 3.48Å; D52-R54 IonicContact OD2-NE 3.11Å; D52-R54 PolarHBondContact OD2-NE 3.21Å; D52-R54 VanDerWaalsContact OD2-NE 3.11Å; D52-R54 IonicContact OD2-NH2 2.97Å; D52-R54 PolarHBondContact OD2-NH2 3.38Å
53G41.3Very low59.1Low86 Ų8699.2 Ų99.289%0.88759%0.587SS**  trans-65.545.1174.700000113.8
54R46.5Very low60.5Low187 Ų18794.5 Ų94.571%0.70655%0.554SS**  trans-68.2123.3177.8-72.7178.2-163.3-154.54.5109D52D52-R54 HydrophobicContact CB-CG 4.21Å; D52-R54 PolarHBondContact O-N 3.01Å; D52-R54 IonicContact OD2-CZ 3.48Å; D52-R54 IonicContact OD2-NE 3.11Å; D52-R54 PolarHBondContact OD2-NE 3.21Å; D52-R54 VanDerWaalsContact OD2-NE 3.11Å; D52-R54 IonicContact OD2-NH2 2.97Å; D52-R54 PolarHBondContact OD2-NH2 3.38Å
55P47.8Very low62.5Low88 Ų8882.9 Ų82.957%0.57151%0.51SS*.  trans-66.6165.3-174.824.7-31.2000111.8D57 A58P55-D57 HydrophobicContact CG-CB 4.34Å; P55-D57 PolarHBondContact O-N 2.69Å; P55-A58 PolarHBondContact O-N 2.95Å
56A49Very low65Low95 Ų9578.8 Ų78.879%0.78548%0.476SS*.G310 helixtrans-53.1-13.4174.600000114.4A58 A59A56-A58 PolarHBondContact O-N 2.84Å; A56-A59 PolarHBondContact O-N 3.01Å
57D53.2Low67.8Low128 Ų12866.6 Ų66.668%0.68443%0.43SS*.G310 helixtrans-62.1-13.5170.2-96.7-23000114.8P55 A59 K179P55-D57 HydrophobicContact CG-CB 4.34Å; P55-D57 PolarHBondContact O-N 2.69Å; D57-A59 VanDerWaalsContact C-N 3.28Å; D57-A59 PolarHBondContact O-N 3.12Å; D57-K179 PolarHBondContact O-NZ 2.89Å
58A74.6Confident70.7Confident41 Ų4162.4 Ų62.434%0.33939%0.387SS..G310 helixtrans-75.9-12.2176.500000114P55 A56P55-A58 PolarHBondContact O-N 2.95Å; A56-A58 PolarHBondContact O-N 2.84Å
59A93Very high73.6Confident12 Ų1259.5 Ų59.510%0.09936%0.356CS..SBendtrans-76.5138.9179.300000111.6L42 A56 D57 K179 V336L42-A59 HydrophobicContact CD1-CB 3.65Å; A56-A59 PolarHBondContact O-N 3.01Å; D57-A59 VanDerWaalsContact C-N 3.28Å; D57-A59 PolarHBondContact O-N 3.12Å; A59-K179 PolarHBondContact O-NZ 3.09Å; A59-K179 VanDerWaalsContact O-NZ 3.14Å; A59-V336 CarbonylContact C-O 3.54Å; A59-V336 WeakPolarHBondContact CA-O 3.48Å
60V97Very high76.4Confident0 Ų049.4 Ų49.40%031%0.309CS..EExtended strand (participates in β ladder)trans-76.1124163.7-177.30000108.1A62 I103 K178 K179 V181 F183 V336V60-A62 HydrophobicContact CG1-CB 4.48Å; V60-A62 PolarHBondContact O-N 3.45Å; V60-I103 HydrophobicContact CG1-CG2 3.66Å; V60-K178 HydrophobicContact CG1-CD 4.15Å; V60-K178 HydrophobicContact CG1-CG 4.35Å; V60-K178 HydrophobicContact CG2-CB 4.11Å; V60-K178 HydrophobicContact CG2-CG 4.12Å; V60-K178 VanDerWaalsContact CG2-O 3.31Å; V60-K178 WeakPolarHBondContact CG2-O 3.02Å; V60-K179 HydrophobicContact CG2-CB 3.77Å; V60-K179 HydrophobicContact CG2-CD 4.05Å; V60-K179 HydrophobicContact CG2-CG 4.13Å; V60-V181 HydrophobicContact CG2-CB 4.39Å; V60-V181 HydrophobicContact CG2-CG2 4.13Å; V60-F183 HydrophobicContact CB-CZ 4.5Å; V60-F183 HydrophobicContact CG1-CE2 4.36Å; V60-F183 HydrophobicContact CG1-CZ 4.21Å; V60-V336 PolarHBondContact N-O 3.03Å; V60-V336 PolarHBondContact O-N 2.91Å
61R97.8Very high79.1Confident92 Ų9246.7 Ų46.735%0.34728%0.279SS..EExtended strand (participates in β ladder)trans-87.696.8168.9-66.9-166.1-56.4-113.8-1.8110.3W39 K100 E102 I103W39-R61 HydrophobicContact CD2-CB 4.08Å; W39-R61 HydrophobicContact CD2-CG 3.94Å; W39-R61 HydrophobicContact CE3-CB 3.88Å; W39-R61 HydrophobicContact CE3-CG 3.99Å; W39-R61 HydrophobicContact CG-CG 4.4Å; W39-R61 HydrophobicContact CH2-CB 3.6Å; W39-R61 HydrophobicContact CZ2-CB 3.79Å; W39-R61 HydrophobicContact CZ2-CG 4.46Å; W39-R61 HydrophobicContact CZ3-CB 3.65Å; W39-R61 HydrophobicContact CZ3-CG 4.28Å; R61-K100 PolarHBondContact NH2-O 2.89Å; R61-E102 HydrophobicContact CB-CG 4.34Å; R61-E102 PolarHBondContact N-OE1 2.74Å; R61-E102 PolarHBondContact O-N 2.95Å; R61-I103 PolarHBondContact O-N 3.29Å
62A98.6Very high81.6Confident1 Ų140.2 Ų40.21%0.00824%0.24CC..EExtended strand (participates in β ladder)trans-101.7129-179.900000111.5W39 V60 I103 F105 A334W39-A62 WeakPolarHBondContact CZ3-O 3.28Å; V60-A62 HydrophobicContact CG1-CB 4.48Å; V60-A62 PolarHBondContact O-N 3.45Å; A62-I103 CarbonylContact C-O 3.57Å; A62-I103 WeakPolarHBondContact CA-O 3.49Å; A62-I103 HydrophobicContact CB-CG2 3.57Å; A62-F105 HydrophobicContact CB-CD2 4.38Å; A62-F105 HydrophobicContact CB-CE2 4.16Å; A62-A334 HydrophobicContact CB-CB 4.24Å; A62-A334 PolarHBondContact N-O 2.99Å; A62-A334 PolarHBondContact O-N 3.03Å
63M98.8Very high83.9Confident0 Ų037.6 Ų37.60%023%0.233CC..EExtended strand (participates in β ladder)trans-101133.9169.1-175.7173.578.200108.9L65 F92 A95 L96 P101 I103 V104 F105 F331 I332 L333M63-L65 HydrophobicContact CE-CD1 4.41Å; M63-L65 HydrophobicContact CE-CD2 4.16Å; M63-L65 HydrophobicContact CG-CD2 4.04Å; M63-L65 HydrophobicContact SD-CD2 4.36Å; M63-F92 HydrophobicContact CE-CD2 3.77Å; M63-F92 HydrophobicContact CE-CE2 3.49Å; M63-F92 VanDerWaalsContact CE-CE2 3.49Å; M63-A95 HydrophobicContact SD-CB 4.02Å; M63-L96 HydrophobicContact CE-CD2 4Å; M63-P101 HydrophobicContact CB-CB 3.86Å; M63-P101 HydrophobicContact CB-CG 4.15Å; M63-P101 HydrophobicContact CE-CG 4.43Å; M63-P101 HydrophobicContact SD-CG 4.43Å; M63-I103 PolarHBondContact N-O 2.95Å; M63-V104 HydrophobicContact CB-CG2 4.25Å; M63-V104 HydrophobicContact CE-CB 4.4Å; M63-V104 HydrophobicContact CE-CG1 3.76Å; M63-V104 HydrophobicContact CE-CG2 3.71Å; M63-V104 CarbonylContact O-C 3.59Å; M63-V104 WeakPolarHBondContact O-CA 3.43Å; M63-F105 PolarHBondContact O-N 2.73Å; M63-F331 HydrophobicContact CG-CD2 3.66Å; M63-F331 HydrophobicContact CG-CE2 3.98Å; M63-F331 HydrophobicContact SD-CD2 3.95Å; M63-F331 HydrophobicContact SD-CE2 3.78Å; M63-F331 HydrophobicContact SD-CZ 4.41Å; M63-I332 CarbonylContact C-O 3.59Å; M63-I332 WeakPolarHBondContact CA-O 3.46Å; M63-L333 HydrophobicContact CB-CD2 4.28Å; M63-L333 HydrophobicContact CG-CD2 4.17Å
64V98.9Very high86.1Confident2 Ų238.4 Ų38.41%0.01222%0.22CC..EExtended strand (participates in β ladder)trans-127.3119.9-175.4-170.80000109.8F105 L107 L297 V318 F331 I332V64-F105 WeakPolarHBondContact CA-O 3.45Å; V64-F105 HydrophobicContact CG1-CB 4.18Å; V64-F105 HydrophobicContact CG2-CB 4.34Å; V64-F105 HydrophobicContact CG2-CD2 4.18Å; V64-L107 HydrophobicContact CG1-CD1 3.65Å; V64-L107 HydrophobicContact CG1-CD2 4.01Å; V64-L107 HydrophobicContact CG1-CG 3.69Å; V64-L297 HydrophobicContact CB-CD1 4.32Å; V64-L297 HydrophobicContact CG1-CD1 4.15Å; V64-L297 HydrophobicContact CG2-CD1 3.79Å; V64-V318 HydrophobicContact CG1-CG2 3.99Å; V64-F331 WeakPolarHBondContact O-CB 3.28Å; V64-I332 HydrophobicContact CB-CB 4.28Å; V64-I332 PolarHBondContact N-O 2.88Å; V64-I332 PolarHBondContact O-N 3.32Å
65L98.7Very high88Confident0 Ų032.6 Ų32.60%022%0.219CC..EExtended strand (participates in β ladder)trans-112160.7178.2-42.5-175.5000109.1M63 F92 V104 F105 I106 L107 F133 F321 F331M63-L65 HydrophobicContact CE-CD1 4.41Å; M63-L65 HydrophobicContact CE-CD2 4.16Å; M63-L65 HydrophobicContact CG-CD2 4.04Å; M63-L65 HydrophobicContact SD-CD2 4.36Å; L65-F92 HydrophobicContact CD1-CD2 3.82Å; L65-F92 HydrophobicContact CD1-CE2 4.07Å; L65-V104 HydrophobicContact CD1-CG1 4.35Å; L65-V104 HydrophobicContact CG-CG1 4.29Å; L65-F105 PolarHBondContact N-O 2.8Å; L65-I106 HydrophobicContact CB-CG1 4.34Å; L65-I106 HydrophobicContact CB-CG2 4.38Å; L65-I106 HydrophobicContact CD1-CG1 4.31Å; L65-I106 CarbonylContact O-C 3.56Å; L65-I106 WeakPolarHBondContact O-CA 3.47Å; L65-L107 PolarHBondContact O-N 3.02Å; L65-F133 HydrophobicContact CD1-CE1 4.05Å; L65-F321 HydrophobicContact CB-CB 4.48Å; L65-F321 HydrophobicContact CB-CD2 4.45Å; L65-F321 HydrophobicContact CD1-CD1 4.44Å; L65-F321 HydrophobicContact CD1-CD2 4.29Å; L65-F321 HydrophobicContact CD1-CE1 4.44Å; L65-F321 HydrophobicContact CD1-CE2 4.25Å; L65-F321 HydrophobicContact CD1-CG 4.36Å; L65-F321 HydrophobicContact CD1-CZ 4.34Å; L65-F321 HydrophobicContact CD2-CD2 3.67Å; L65-F321 HydrophobicContact CD2-CE2 3.66Å; L65-F321 HydrophobicContact CD2-CG 4.44Å; L65-F321 HydrophobicContact CD2-CZ 4.46Å; L65-F321 HydrophobicContact CG-CD2 4.35Å; L65-F331 HydrophobicContact CD2-CB 3.33Å; L65-F331 HydrophobicContact CD2-CD2 4.39Å; L65-F331 HydrophobicContact CD2-CG 3.88Å
66S98.6Very high90Very high0 Ų029.6 Ų29.60%020%0.204CC..BIsolated β-bridgetrans-145.7159171.1-167.60000110.9T68 G299 V318 S320 F321S66-T68 PolarHBondContact O-N 2.97Å; S66-G299 WeakPolarHBondContact OG-CA 3.03Å; S66-V318 WeakPolarHBondContact CB-O 3.36Å; S66-S320 WeakPolarHBondContact O-CA 3.3Å; S66-F321 PolarHBondContact O-N 2.87Å
67D98.7Very high92.1Very high0 Ų030.3 Ų30.30%019%0.191CC..  trans49.861.3165.7-46.4-69.2000111.7H69 G108 H246 H300 H302 S320D67-H69 VanDerWaalsContact C-N 3.32Å; D67-G108 PolarHBondContact N-O 3.43Å; D67-H246 IonicContact OD1-CE1 2.68Å; D67-H246 PolarHBondContact OD1-CE1 3.43Å; D67-H246 IonicContact OD1-ND1 2.8Å; D67-H300 WeakPolarHBondContact OD1-CA 3.35Å; D67-H300 PolarHBondContact OD1-N 3.37Å; D67-H300 VanDerWaalsContact OD1-N 3.1Å; D67-H300 PolarHBondContact OD2-N 3.5Å; D67-H302 IonicContact OD1-CD2 3.33Å; D67-H302 IonicContact OD2-CD2 3.07Å; D67-S320 PolarHBondContact O-OG 3.44Å
68T98.2Very high94Very high0 Ų032.8 Ų32.80%019%0.191CC..  trans-72.3-29.7177.655.40000111.5S66 L70 M88 I106 D109 I110 F133 F321 S322S66-T68 PolarHBondContact O-N 2.97Å; T68-L70 PolarHBondContact O-N 3.4Å; T68-M88 HydrophobicContact CG2-SD 4.31Å; T68-M88 WeakPolarHBondContact O-CE 3.31Å; T68-I106 HydrophobicContact CG2-CG2 4.01Å; T68-D109 PolarHBondContact N-O 2.83Å; T68-D109 VanDerWaalsContact N-O 3.14Å; T68-I110 WeakPolarHBondContact OG1-CA 3.42Å; T68-I110 PolarHBondContact OG1-O 2.89Å; T68-I110 VanDerWaalsContact OG1-O 3.09Å; T68-F133 HydrophobicContact CG2-CE1 4.14Å; T68-F133 HydrophobicContact CG2-CE2 4.43Å; T68-F133 HydrophobicContact CG2-CZ 3.58Å; T68-F321 HydrophobicContact CG2-CB 4.31Å; T68-F321 HydrophobicContact CG2-CD1 4.47Å; T68-S322 WeakPolarHBondContact O-CB 3.5Å
69H97.7Very high94.8Very high3 Ų336.2 Ų36.21%0.01420%0.198CC..  trans41.864.1179.1-71.9-99.7000112.9D67 L71 D109 I110 D112 H148 H302 N325D67-H69 VanDerWaalsContact C-N 3.32Å; H69-L71 PolarHBondContact O-N 3.49Å; H69-L71 VanDerWaalsContact O-N 3.08Å; H69-D109 IonicContact CE1-OD2 2.65Å; H69-D109 PolarHBondContact N-O 3.43Å; H69-D109 IonicContact NE2-OD2 2.67Å; H69-I110 PolarHBondContact N-O 2.86Å; H69-D112 HydrophobicContact CB-CB 4.21Å; H69-D112 IonicContact CE1-OD1 3.96Å; H69-D112 IonicContact CG-OD1 3.42Å; H69-D112 IonicContact ND1-OD1 3.43Å; H69-D112 PolarHBondContact ND1-OD1 3.22Å; H69-H148 AromaticContact CE1-CD2 3.71Å; H69-H148 AromaticContact CE1-CE1 3.73Å; H69-H148 AromaticContact CE1-CG 3.67Å; H69-H148 AromaticContact CE1-ND1 3.67Å; H69-H148 AromaticContact CE1-NE2 3.83Å; H69-H148 AromaticContact ND1-CE1 4Å; H69-H148 AromaticContact ND1-ND1 3.69Å; H69-H302 AromaticContact CE1-NE2 3.85Å; H69-H302 AromaticContact NE2-CE1 3.99Å; H69-H302 AromaticContact NE2-NE2 3.21Å; H69-H302 PolarHBondContact NE2-NE2 2.58Å; H69-N325 PolarHBondContact CD2-ND2 3.48Å
70L96.7Very high94.8Very high0 Ų037.1 Ų37.10%020%0.201CC..BIsolated β-bridgetrans-57.4119.9169.4-87.864.2000108T68 G72 M88 I110 F111 D112 F129 M132 F133T68-L70 PolarHBondContact O-N 3.4Å; L70-G72 PolarHBondContact O-N 3.03Å; L70-M88 HydrophobicContact CD1-CE 4.04Å; L70-I110 WeakPolarHBondContact CB-O 3.25Å; L70-I110 VanDerWaalsContact CD1-O 3.24Å; L70-I110 WeakPolarHBondContact CD1-O 3.33Å; L70-I110 PolarHBondContact N-O 2.84Å; L70-F111 HydrophobicContact CB-CD1 3.94Å; L70-F111 HydrophobicContact CD2-CD1 4.07Å; L70-F111 HydrophobicContact CD2-CE1 3.88Å; L70-D112 WeakPolarHBondContact O-CB 3.15Å; L70-D112 PolarHBondContact O-N 3.05Å; L70-F129 HydrophobicContact CD2-CB 3.69Å; L70-F129 HydrophobicContact CD2-CD2 4.27Å; L70-M132 HydrophobicContact CD1-CE 3.82Å; L70-M132 HydrophobicContact CD2-CE 3.37Å; L70-M132 HydrophobicContact CG-CE 3.44Å; L70-M132 VanDerWaalsContact CG-CE 3.44Å; L70-F133 HydrophobicContact CD1-CE2 4.08Å
71L94.5Very high94.7Very high5 Ų539.1 Ų39.13%0.02621%0.21CC..  trans-63.4128.1-177.2-87.280.5000109.5H69 D80 K81 R84 R128H69-L71 PolarHBondContact O-N 3.49Å; H69-L71 VanDerWaalsContact O-N 3.08Å; L71-D80 HydrophobicContact CD2-CB 3.82Å; L71-D80 WeakPolarHBondContact CD2-OD2 3.49Å; L71-K81 HydrophobicContact CB-CB 4.1Å; L71-K81 HydrophobicContact CB-CG 4.09Å; L71-K81 HydrophobicContact CD2-CB 4.24Å; L71-R84 HydrophobicContact CD1-CB 4.3Å; L71-R84 HydrophobicContact CD1-CG 4.27Å; L71-R128 PolarHBondContact O-NH2 2.84Å
72G92.3Very high94.6Very high1 Ų139.7 Ų39.71%0.0122%0.219CC..  trans-81.7-173.9175.400000112.3L70 G76 E113L70-G72 PolarHBondContact O-N 3.03Å; G72-G76 WeakPolarHBondContact O-CA 3.13Å; G72-E113 WeakPolarHBondContact CA-OE2 2.97Å
73A91Very high94.4Very high48 Ų4841.1 Ų41.140%0.39723%0.225SC..SBendtrans-94.5-11.3-173.800000114E113 H121A73-E113 PolarHBondContact N-OE2 3.49Å; A73-E113 VanDerWaalsContact N-OE2 3.1Å; A73-H121 HydrophobicContact CB-CB 4.36Å; A73-H121 VanDerWaalsContact CB-CE1 3.41Å; A73-H121 WeakPolarHBondContact CB-CE1 3.18Å; A73-H121 WeakPolarHBondContact CB-ND1 3.48Å
74V86.7Confident94.3Very high103 Ų10342.5 Ų42.562%0.62423%0.23SC*.SBendtrans-90.3-56.6-172-176.30000111.2E113V74-E113 WeakPolarHBondContact CA-OE2 3.45Å; V74-E113 WeakPolarHBondContact CB-OE2 3.36Å; V74-E113 WeakPolarHBondContact CG2-OE2 3.36Å; V74-E113 PolarHBondContact N-OE1 3.49Å; V74-E113 PolarHBondContact N-OE2 3.34Å
75G87.1Confident94.2Very high66 Ų6643.4 Ų43.468%0.6823%0.234SC*.SBendtrans-102.8-13.5178.700000113.9E113G75-E113 WeakPolarHBondContact CA-OE1 3.3Å; G75-E113 PolarHBondContact N-OE1 3.34Å
76G88.1Confident94.1Very high25 Ų2546.1 Ų46.126%0.25824%0.244SC..  trans-71.8130-179.200000114.5G72 E113G72-G76 WeakPolarHBondContact O-CA 3.13Å; G76-E113 PolarHBondContact N-OE1 2.96Å; G76-E113 VanDerWaalsContact N-OE1 3.13Å
77H93Very high94.1Very high110 Ų11046.1 Ų46.151%0.50924%0.244SC..  trans-84.2135.3171.2-173.8-96.3000111.2F79 D80 K81H77-F79 VanDerWaalsContact C-N 3.32Å; H77-F79 PolarHBondContact ND1-N 3.42Å; H77-F79 PolarHBondContact O-N 2.85Å; H77-D80 HydrophobicContact CB-CB 4.12Å; H77-D80 WeakPolarHBondContact O-CB 3.49Å; H77-D80 PolarHBondContact O-N 3.41Å; H77-D80 VanDerWaalsContact O-N 3.13Å; H77-K81 WeakPolarHBondContact O-CB 3.2Å; H77-K81 PolarHBondContact O-N 2.82Å
78W93.1Very high94.1Very high179 Ų17946.1 Ų46.168%0.67824%0.244SC*.Hα-helixtrans-59.7-37.7-172.574.1-92.1000114K81 L82W78-K81 WeakPolarHBondContact O-CB 3.47Å; W78-L82 HydrophobicContact CZ3-CD2 4.28Å; W78-L82 WeakPolarHBondContact O-CB 3.41Å; W78-L82 PolarHBondContact O-N 3.02Å
79F93Very high94.1Very high114 Ų11446.7 Ų46.750%0.525%0.247SC..Hα-helixtrans-74.1-36.7-179.6-179.1-105.1000111.3H77 L82 R83H77-F79 VanDerWaalsContact C-N 3.32Å; H77-F79 PolarHBondContact ND1-N 3.42Å; H77-F79 PolarHBondContact O-N 2.85Å; F79-L82 PolarHBondContact O-N 3.28Å; F79-R83 WeakPolarHBondContact O-CB 3.34Å; F79-R83 PolarHBondContact O-N 3.28Å
80D93.3Very high94.1Very high30 Ų3048.6 Ų48.616%0.1625%0.254CS..Hα-helixtrans-64.1-48.7174.8-165.830.6000108.8L71 H77 L82 R83 R84 R324L71-D80 HydrophobicContact CD2-CB 3.82Å; L71-D80 WeakPolarHBondContact CD2-OD2 3.49Å; H77-D80 HydrophobicContact CB-CB 4.12Å; H77-D80 WeakPolarHBondContact O-CB 3.49Å; H77-D80 PolarHBondContact O-N 3.41Å; H77-D80 VanDerWaalsContact O-N 3.13Å; D80-L82 PolarHBondContact O-N 3.28Å; D80-R83 PolarHBondContact O-N 2.88Å; D80-R84 VanDerWaalsContact O-CG 3.28Å; D80-R84 WeakPolarHBondContact O-CG 3.38Å; D80-R84 PolarHBondContact O-N 3.07Å; D80-R84 WeakPolarHBondContact OD1-CG 3.33Å; D80-R84 IonicContact OD1-CZ 3.63Å; D80-R84 IonicContact OD1-NE 2.92Å; D80-R84 PolarHBondContact OD1-NE 3.11Å; D80-R84 IonicContact OD1-NH2 3.86Å; D80-R324 VanDerWaalsContact OD2-CD 3.24Å; D80-R324 WeakPolarHBondContact OD2-CD 3.25Å; D80-R324 IonicContact OD2-NE 2.95Å; D80-R324 PolarHBondContact OD2-NE 2.91Å
81K94.5Very high94.2Very high42 Ų4248.6 Ų48.618%0.18325%0.254CS..Hα-helixtrans-50.1-53.9174-172.1179.6-178.6166.70111.5L71 H77 W78 R83 E85 D124 R128L71-K81 HydrophobicContact CB-CB 4.1Å; L71-K81 HydrophobicContact CB-CG 4.09Å; L71-K81 HydrophobicContact CD2-CB 4.24Å; H77-K81 WeakPolarHBondContact O-CB 3.2Å; H77-K81 PolarHBondContact O-N 2.82Å; W78-K81 WeakPolarHBondContact O-CB 3.47Å; K81-R83 VanDerWaalsContact C-N 3.33Å; K81-R83 PolarHBondContact O-N 3.43Å; K81-E85 WeakPolarHBondContact CE-OE1 3.43Å; K81-E85 HydrophobicContact CG-CG 4.49Å; K81-E85 WeakPolarHBondContact CG-OE1 3.42Å; K81-E85 WeakPolarHBondContact O-CB 3.47Å; K81-E85 VanDerWaalsContact O-CG 3.3Å; K81-E85 WeakPolarHBondContact O-CG 3.47Å; K81-E85 PolarHBondContact O-N 3.07Å; K81-D124 IonicContact NZ-OD2 2.71Å; K81-D124 PolarHBondContact NZ-OD2 2.89Å; K81-R128 VanDerWaalsContact NZ-NE 3.18Å
82L94.4Very high94.4Very high104 Ų10448.3 Ų48.355%0.54525%0.253SS..Hα-helixtrans-55.4-47.5177.7177.765000111.8W78 F79 D80 W86W78-L82 HydrophobicContact CZ3-CD2 4.28Å; W78-L82 WeakPolarHBondContact O-CB 3.41Å; W78-L82 PolarHBondContact O-N 3.02Å; F79-L82 PolarHBondContact O-N 3.28Å; D80-L82 PolarHBondContact O-N 3.28Å; L82-W86 WeakPolarHBondContact O-CB 3.4Å; L82-W86 PolarHBondContact O-N 2.87Å; L82-W86 VanDerWaalsContact O-N 3.09Å
83R95.5Very high94.7Very high32 Ų3250.1 Ų50.112%0.12126%0.261CS..Hα-helixtrans-70-48.5-174.7-173.971-166.4124.7-14112.8E26 F79 D80 K81 Q87 W323E26-R83 IonicContact OE1-CZ 2.7Å; E26-R83 IonicContact OE1-NH1 3.33Å; E26-R83 PolarHBondContact OE1-NH1 3.11Å; E26-R83 IonicContact OE1-NH2 3.32Å; E26-R83 PolarHBondContact OE1-NH2 3.46Å; E26-R83 IonicContact OE2-CZ 3.63Å; E26-R83 IonicContact OE2-NH1 3.04Å; E26-R83 PolarHBondContact OE2-NH1 3.25Å; E26-R83 IonicContact OE2-NH2 3.55Å; F79-R83 WeakPolarHBondContact O-CB 3.34Å; F79-R83 PolarHBondContact O-N 3.28Å; D80-R83 PolarHBondContact O-N 2.88Å; K81-R83 VanDerWaalsContact C-N 3.33Å; K81-R83 PolarHBondContact O-N 3.43Å; R83-Q87 PolarHBondContact O-N 3.13Å; R83-W323 VanDerWaalsContact NH2-CZ3 3.26Å
84R95.7Very high95.1Very high29 Ų2948.3 Ų48.311%0.10924%0.244CC..Hα-helixtrans-70.1-42.1-176.1-51.2-52.3156179.2-19.6111.3L71 D80 Q87 M88 W323 R324 E351L71-R84 HydrophobicContact CD1-CB 4.3Å; L71-R84 HydrophobicContact CD1-CG 4.27Å; D80-R84 VanDerWaalsContact O-CG 3.28Å; D80-R84 WeakPolarHBondContact O-CG 3.38Å; D80-R84 PolarHBondContact O-N 3.07Å; D80-R84 WeakPolarHBondContact OD1-CG 3.33Å; D80-R84 IonicContact OD1-CZ 3.63Å; D80-R84 IonicContact OD1-NE 2.92Å; D80-R84 PolarHBondContact OD1-NE 3.11Å; D80-R84 IonicContact OD1-NH2 3.86Å; R84-Q87 WeakPolarHBondContact O-CB 3.32Å; R84-Q87 PolarHBondContact O-N 2.93Å; R84-M88 WeakPolarHBondContact O-CG 3.31Å; R84-M88 PolarHBondContact O-N 2.85Å; R84-W323 PolarHBondContact NH1-O 3.22Å; R84-W323 VanDerWaalsContact NH1-O 3.14Å; R84-R324 HydrophobicContact CG-CB 4.07Å; R84-E351 IonicContact CZ-OE1 2.68Å; R84-E351 IonicContact CZ-OE2 3.47Å; R84-E351 IonicContact NH1-OE1 3.54Å; R84-E351 PolarHBondContact NH1-OE1 2.9Å; R84-E351 IonicContact NH1-OE2 3.84Å; R84-E351 PolarHBondContact NH1-OE2 3.49Å; R84-E351 IonicContact NH2-OE1 3.48Å; R84-E351 PolarHBondContact NH2-OE1 3.48Å; R84-E351 IonicContact NH2-OE2 3.57Å
85E96.6Very high95.6Very high21 Ų2143.4 Ų43.410%0.09822%0.215CC..Hα-helixtrans-69-39.2178.4-70.5-179.3-158.700112K81 Q87 M88 E89 R128 M132K81-E85 WeakPolarHBondContact CE-OE1 3.43Å; K81-E85 HydrophobicContact CG-CG 4.49Å; K81-E85 WeakPolarHBondContact CG-OE1 3.42Å; K81-E85 WeakPolarHBondContact O-CB 3.47Å; K81-E85 VanDerWaalsContact O-CG 3.3Å; K81-E85 WeakPolarHBondContact O-CG 3.47Å; K81-E85 PolarHBondContact O-N 3.07Å; E85-Q87 VanDerWaalsContact C-N 3.31Å; E85-Q87 PolarHBondContact O-N 2.88Å; E85-M88 HydrophobicContact CG-CE 4.1Å; E85-M88 PolarHBondContact O-N 2.79Å; E85-E89 WeakPolarHBondContact O-CB 3.38Å; E85-E89 PolarHBondContact O-N 2.87Å; E85-R128 IonicContact OE1-CZ 3.44Å; E85-R128 IonicContact OE1-NH1 4Å; E85-R128 PolarHBondContact OE1-NH1 3.41Å; E85-R128 IonicContact OE1-NH2 3.51Å; E85-R128 IonicContact OE2-CZ 2.71Å; E85-R128 IonicContact OE2-NH1 3.18Å; E85-R128 PolarHBondContact OE2-NH1 2.85Å; E85-M132 HydrophobicContact CB-CE 4.34Å; E85-M132 HydrophobicContact CB-SD 3.48Å; E85-M132 WeakPolarHBondContact CB-SD 3.22Å; E85-M132 HydrophobicContact CG-CE 4.01Å; E85-M132 HydrophobicContact CG-SD 3.81Å
86W97.4Very high96.2Very high56 Ų5641.3 Ų41.321%0.21219%0.188CC..Hα-helixtrans-57.6-47171.3-176-98.2000111.4E26 Y27 L82 E89 R90E26-W86 PolarHBondContact O-NE1 2.95Å; E26-W86 PolarHBondContact OE2-NE1 3.25Å; Y27-W86 HydrophobicContact CD1-CZ2 4.39Å; Y27-W86 HydrophobicContact CD2-CZ2 4.42Å; Y27-W86 AromaticContact CE1-CH2 3.99Å; Y27-W86 HydrophobicContact CE1-CH2 3.99Å; Y27-W86 AromaticContact CE1-CZ2 3.67Å; Y27-W86 HydrophobicContact CE1-CZ2 3.67Å; Y27-W86 HydrophobicContact CE2-CH2 4.37Å; Y27-W86 AromaticContact CE2-CZ2 3.7Å; Y27-W86 HydrophobicContact CE2-CZ2 3.7Å; Y27-W86 AromaticContact CZ-CH2 3.61Å; Y27-W86 AromaticContact CZ-CZ2 3.29Å; Y27-W86 WeakPolarHBondContact OH-CH2 3.27Å; Y27-W86 WeakPolarHBondContact OH-CZ2 3.39Å; L82-W86 WeakPolarHBondContact O-CB 3.4Å; L82-W86 PolarHBondContact O-N 2.87Å; L82-W86 VanDerWaalsContact O-N 3.09Å; W86-E89 PolarHBondContact O-N 2.83Å; W86-R90 HydrophobicContact CD2-CG 4.21Å; W86-R90 HydrophobicContact CG-CG 4.39Å; W86-R90 HydrophobicContact CZ2-CG 3.97Å; W86-R90 WeakPolarHBondContact O-CB 3.37Å; W86-R90 VanDerWaalsContact O-CG 3.27Å; W86-R90 WeakPolarHBondContact O-CG 3.29Å; W86-R90 PolarHBondContact O-N 3.07Å
87Q97.9Very high96.6Very high0 Ų048.3 Ų48.30%021%0.207CC..Hα-helixtrans-59.3-50.1177171.7-101-42.300112.6Y30 R83 R84 E85 E89 R90 A91 F321 W323Y30-Q87 HydrophobicContact CE1-CG 4.11Å; Y30-Q87 WeakPolarHBondContact OH-CA 3.21Å; Y30-Q87 WeakPolarHBondContact OH-CG 3.47Å; R83-Q87 PolarHBondContact O-N 3.13Å; R84-Q87 WeakPolarHBondContact O-CB 3.32Å; R84-Q87 PolarHBondContact O-N 2.93Å; E85-Q87 VanDerWaalsContact C-N 3.31Å; E85-Q87 PolarHBondContact O-N 2.88Å; Q87-E89 VanDerWaalsContact C-N 3.34Å; Q87-E89 PolarHBondContact O-N 3.16Å; Q87-R90 PolarHBondContact O-N 2.96Å; Q87-A91 WeakPolarHBondContact O-CB 3.28Å; Q87-A91 PolarHBondContact O-N 2.88Å; Q87-F321 PolarHBondContact NE2-O 2.78Å; Q87-W323 HydrophobicContact CB-CD2 4.05Å; Q87-W323 HydrophobicContact CB-CE3 3.4Å; Q87-W323 VanDerWaalsContact CB-CE3 3.4Å; Q87-W323 HydrophobicContact CB-CH2 4.06Å; Q87-W323 HydrophobicContact CB-CZ3 3.39Å; Q87-W323 HydrophobicContact CG-CD2 3.52Å; Q87-W323 HydrophobicContact CG-CE3 3.42Å; Q87-W323 VanDerWaalsContact CG-CE3 3.42Å; Q87-W323 HydrophobicContact CG-CG 4.21Å; Q87-W323 HydrophobicContact CG-CH2 3.76Å; Q87-W323 HydrophobicContact CG-CZ2 3.88Å; Q87-W323 HydrophobicContact CG-CZ3 3.52Å
88M98.4Very high96.9Very high0 Ų045.1 Ų45.10%019%0.193CC..Hα-helixtrans-61.6-43.8-179.1-71-171-73.900111.4T68 L70 R84 E85 A91 F92 F321T68-M88 HydrophobicContact CG2-SD 4.31Å; T68-M88 WeakPolarHBondContact O-CE 3.31Å; L70-M88 HydrophobicContact CD1-CE 4.04Å; R84-M88 WeakPolarHBondContact O-CG 3.31Å; R84-M88 PolarHBondContact O-N 2.85Å; E85-M88 HydrophobicContact CG-CE 4.1Å; E85-M88 PolarHBondContact O-N 2.79Å; M88-A91 PolarHBondContact O-N 3.24Å; M88-F92 WeakPolarHBondContact O-CB 3.31Å; M88-F92 PolarHBondContact O-N 2.96Å; M88-F321 HydrophobicContact CB-CD1 4.27Å; M88-F321 HydrophobicContact CB-CE1 4.18Å; M88-F321 HydrophobicContact CG-CD1 3.95Å; M88-F321 HydrophobicContact CG-CE1 4.32Å; M88-F321 HydrophobicContact SD-CD1 4.46Å
89E98.5Very high97.1Very high12 Ų1237.3 Ų37.36%0.05617%0.165CC..Hα-helixtrans-59.8-50.2176.2-173.8178.4150.600110.8E85 W86 Q87 Q93 R131 M132E85-E89 WeakPolarHBondContact O-CB 3.38Å; E85-E89 PolarHBondContact O-N 2.87Å; W86-E89 PolarHBondContact O-N 2.83Å; Q87-E89 VanDerWaalsContact C-N 3.34Å; Q87-E89 PolarHBondContact O-N 3.16Å; E89-Q93 HydrophobicContact CG-CG 4.15Å; E89-Q93 VanDerWaalsContact O-CB 3.29Å; E89-Q93 WeakPolarHBondContact O-CB 3.15Å; E89-Q93 WeakPolarHBondContact O-CG 3.2Å; E89-Q93 PolarHBondContact O-N 3.42Å; E89-R131 IonicContact OE2-NE 3.89Å; E89-M132 HydrophobicContact CB-CB 4.12Å; E89-M132 HydrophobicContact CB-CG 3.96Å; E89-M132 HydrophobicContact CG-CB 4.38Å; E89-M132 HydrophobicContact CG-CG 4.37Å
90R98.6Very high97.3Very high43 Ų4338.7 Ų38.716%0.16217%0.171CC..Hα-helixtrans-64.2-43.5-179.2-66.8-5789.1-174.24.7112.2Y30 W86 Q87 T94Y30-R90 HydrophobicContact CD2-CB 3.76Å; Y30-R90 HydrophobicContact CE1-CB 4.42Å; Y30-R90 HydrophobicContact CE2-CB 3.55Å; Y30-R90 HydrophobicContact CE2-CG 4.21Å; Y30-R90 HydrophobicContact CG-CB 4.29Å; W86-R90 HydrophobicContact CD2-CG 4.21Å; W86-R90 HydrophobicContact CG-CG 4.39Å; W86-R90 HydrophobicContact CZ2-CG 3.97Å; W86-R90 WeakPolarHBondContact O-CB 3.37Å; W86-R90 VanDerWaalsContact O-CG 3.27Å; W86-R90 WeakPolarHBondContact O-CG 3.29Å; W86-R90 PolarHBondContact O-N 3.07Å; Q87-R90 PolarHBondContact O-N 2.96Å; R90-T94 WeakPolarHBondContact O-CB 3.21Å; R90-T94 PolarHBondContact O-N 3.1Å; R90-T94 PolarHBondContact O-OG1 2.75Å
91A98.5Very high97.5Very high0 Ų037.4 Ų37.40%016%0.164CC..Hα-helixtrans-61.8-50.7177.700000111.4Y30 Q87 M88 T94 A95 F321 L348Y30-A91 HydrophobicContact CD1-CB 3.97Å; Y30-A91 HydrophobicContact CE1-CB 4.02Å; Q87-A91 WeakPolarHBondContact O-CB 3.28Å; Q87-A91 PolarHBondContact O-N 2.88Å; M88-A91 PolarHBondContact O-N 3.24Å; A91-T94 PolarHBondContact O-N 3.04Å; A91-A95 VanDerWaalsContact O-CB 3.28Å; A91-A95 WeakPolarHBondContact O-CB 3.01Å; A91-A95 PolarHBondContact O-N 2.89Å; A91-F321 HydrophobicContact CB-CE1 4.07Å; A91-F321 HydrophobicContact CB-CZ 3.67Å; A91-L348 HydrophobicContact CB-CD1 3.66Å; A91-L348 HydrophobicContact CB-CD2 3.73Å; A91-L348 HydrophobicContact CB-CG 4.33Å
92F98.8Very high97.7Very high0 Ų036.9 Ų36.90%016%0.162CC..Hα-helixtrans-64.5-48.1-177.7-177.3-103000112.1M63 L65 M88 T94 A95 L96 V104 M132 F133 F321M63-F92 HydrophobicContact CE-CD2 3.77Å; M63-F92 HydrophobicContact CE-CE2 3.49Å; M63-F92 VanDerWaalsContact CE-CE2 3.49Å; L65-F92 HydrophobicContact CD1-CD2 3.82Å; L65-F92 HydrophobicContact CD1-CE2 4.07Å; M88-F92 WeakPolarHBondContact O-CB 3.31Å; M88-F92 PolarHBondContact O-N 2.96Å; F92-T94 VanDerWaalsContact C-N 3.32Å; F92-T94 PolarHBondContact O-N 2.82Å; F92-A95 PolarHBondContact O-N 3.4Å; F92-L96 HydrophobicContact CD1-CD1 4.03Å; F92-L96 HydrophobicContact CD1-CG 4.28Å; F92-L96 HydrophobicContact CE1-CD1 3.31Å; F92-L96 HydrophobicContact CE1-CG 3.87Å; F92-L96 HydrophobicContact CE2-CD1 4.43Å; F92-L96 HydrophobicContact CE2-CD2 4.25Å; F92-L96 HydrophobicContact CE2-CG 4.24Å; F92-L96 HydrophobicContact CZ-CD1 3.57Å; F92-L96 HydrophobicContact CZ-CD2 4.04Å; F92-L96 HydrophobicContact CZ-CG 3.86Å; F92-L96 WeakPolarHBondContact O-CG 3.49Å; F92-L96 PolarHBondContact O-N 2.88Å; F92-V104 HydrophobicContact CE2-CG1 4.08Å; F92-V104 HydrophobicContact CE2-CG2 4.48Å; F92-M132 WeakPolarHBondContact CD1-O 2.98Å; F92-F133 HydrophobicContact CB-CD1 4.33Å; F92-F133 HydrophobicContact CB-CE1 4.33Å; F92-F133 HydrophobicContact CD1-CB 4.35Å; F92-F133 AromaticContact CD1-CD1 3.91Å; F92-F133 HydrophobicContact CD1-CD1 3.91Å; F92-F133 HydrophobicContact CD1-CG 4.47Å; F92-F133 AromaticContact CD2-CD1 3.68Å; F92-F133 HydrophobicContact CD2-CD1 3.68Å; F92-F133 HydrophobicContact CD2-CE1 4.03Å; F92-F133 VanDerWaalsContact CE1-C 3.49Å; F92-F133 VanDerWaalsContact CE1-CA 3.42Å; F92-F133 HydrophobicContact CE1-CB 4.01Å; F92-F133 HydrophobicContact CE1-CD1 4.08Å; F92-F133 AromaticContact CE2-CD1 3.85Å; F92-F133 HydrophobicContact CE2-CD1 3.85Å; F92-F133 AromaticContact CG-CD1 3.69Å; F92-F133 HydrophobicContact CG-CD1 3.69Å; F92-F133 HydrophobicContact CG-CE1 4.11Å; F92-F133 HydrophobicContact CZ-CB 4.3Å; F92-F133 HydrophobicContact CZ-CD1 4.04Å; F92-F321 HydrophobicContact CB-CE1 4.2Å; F92-F321 HydrophobicContact CB-CZ 4.17Å
93Q98.7Very high97.9Very high39 Ų3932 Ų3218%0.18214%0.136CC..Hα-helixtrans-63.9-38.3179.8-63.8-64.2-65.200111.6E89 W97 M132 R134E89-Q93 HydrophobicContact CG-CG 4.15Å; E89-Q93 VanDerWaalsContact O-CB 3.29Å; E89-Q93 WeakPolarHBondContact O-CB 3.15Å; E89-Q93 WeakPolarHBondContact O-CG 3.2Å; E89-Q93 PolarHBondContact O-N 3.42Å; Q93-W97 WeakPolarHBondContact O-CB 3.48Å; Q93-W97 PolarHBondContact O-N 2.85Å; Q93-W97 VanDerWaalsContact O-N 3.08Å; Q93-M132 PolarHBondContact NE2-O 3.35Å; Q93-R134 PolarHBondContact NE2-O 3.39Å
94T98.7Very high98.1Very high9 Ų930.4 Ų30.46%0.05513%0.13CC..Hα-helixtrans-68.3-42176.2-55.10000111.3F31 I34 R90 A91 F92 W97 L98F31-T94 HydrophobicContact CD1-CG2 3.94Å; F31-T94 HydrophobicContact CD2-CG2 4.04Å; F31-T94 HydrophobicContact CE1-CG2 4.05Å; F31-T94 HydrophobicContact CE2-CG2 4.14Å; F31-T94 HydrophobicContact CG-CG2 3.94Å; F31-T94 HydrophobicContact CZ-CG2 4.14Å; I34-T94 HydrophobicContact CD1-CG2 3.85Å; R90-T94 WeakPolarHBondContact O-CB 3.21Å; R90-T94 PolarHBondContact O-N 3.1Å; R90-T94 PolarHBondContact O-OG1 2.75Å; A91-T94 PolarHBondContact O-N 3.04Å; F92-T94 VanDerWaalsContact C-N 3.32Å; F92-T94 PolarHBondContact O-N 2.82Å; T94-W97 PolarHBondContact O-N 2.85Å; T94-L98 HydrophobicContact CG2-CD1 3.81Å; T94-L98 HydrophobicContact CG2-CG 4.35Å; T94-L98 WeakPolarHBondContact O-CB 3.31Å; T94-L98 WeakPolarHBondContact O-CG 3.37Å; T94-L98 PolarHBondContact O-N 3.16Å
95A98.6Very high98.2Very high0 Ų029.1 Ų29.10%013%0.125CC..Hα-helixtrans-61.9-46.5176.300000111.9I34 M63 A91 F92 W97 L98 L99 F331I34-A95 HydrophobicContact CD1-CB 4.27Å; M63-A95 HydrophobicContact SD-CB 4.02Å; A91-A95 VanDerWaalsContact O-CB 3.28Å; A91-A95 WeakPolarHBondContact O-CB 3.01Å; A91-A95 PolarHBondContact O-N 2.89Å; F92-A95 PolarHBondContact O-N 3.4Å; A95-W97 VanDerWaalsContact C-N 3.34Å; A95-W97 PolarHBondContact O-N 2.78Å; A95-L98 PolarHBondContact O-N 3.45Å; A95-L99 HydrophobicContact CB-CD1 4.26Å; A95-L99 WeakPolarHBondContact O-CA 3.26Å; A95-L99 WeakPolarHBondContact O-CB 3.41Å; A95-L99 PolarHBondContact O-N 3.08Å; A95-F331 HydrophobicContact CB-CE1 4.38Å; A95-F331 HydrophobicContact CB-CZ 3.94Å
96L98.3Very high98.3Very high23 Ų2328.1 Ų28.112%0.1212%0.121CC..Hα-helixtrans-59.7-44.6175.3-71.8-168000112.1M63 F92 K100 P101 V104 H135 T139M63-L96 HydrophobicContact CE-CD2 4Å; F92-L96 HydrophobicContact CD1-CD1 4.03Å; F92-L96 HydrophobicContact CD1-CG 4.28Å; F92-L96 HydrophobicContact CE1-CD1 3.31Å; F92-L96 HydrophobicContact CE1-CG 3.87Å; F92-L96 HydrophobicContact CE2-CD1 4.43Å; F92-L96 HydrophobicContact CE2-CD2 4.25Å; F92-L96 HydrophobicContact CE2-CG 4.24Å; F92-L96 HydrophobicContact CZ-CD1 3.57Å; F92-L96 HydrophobicContact CZ-CD2 4.04Å; F92-L96 HydrophobicContact CZ-CG 3.86Å; F92-L96 WeakPolarHBondContact O-CG 3.49Å; F92-L96 PolarHBondContact O-N 2.88Å; L96-K100 WeakPolarHBondContact O-CA 3.43Å; L96-K100 PolarHBondContact O-N 3.29Å; L96-P101 HydrophobicContact CD2-CG 3.46Å; L96-P101 VanDerWaalsContact CD2-CG 3.46Å; L96-V104 HydrophobicContact CD2-CG2 4.08Å; L96-H135 HydrophobicContact CD1-CB 3.72Å; L96-T139 HydrophobicContact CD2-CG2 4.18Å
97W97.7Very high98.4Very high172 Ų17225.4 Ų25.465%0.65211%0.11SC*.Hα-helixtrans-64.1-44.6-178.5-175.677.5000112.6F31 Q93 T94 A95F31-W97 HydrophobicContact CD1-CE3 4.29Å; F31-W97 HydrophobicContact CD1-CZ3 4.05Å; F31-W97 AromaticContact CE1-CE3 3.69Å; F31-W97 HydrophobicContact CE1-CE3 3.69Å; F31-W97 AromaticContact CE1-CZ3 3.68Å; F31-W97 HydrophobicContact CE1-CZ3 3.68Å; Q93-W97 WeakPolarHBondContact O-CB 3.48Å; Q93-W97 PolarHBondContact O-N 2.85Å; Q93-W97 VanDerWaalsContact O-N 3.08Å; T94-W97 PolarHBondContact O-N 2.85Å; A95-W97 VanDerWaalsContact C-N 3.34Å; A95-W97 PolarHBondContact O-N 2.78Å
98L98.1Very high98.4Very high43 Ų4325.4 Ų25.423%0.22511%0.11CC..Hα-helixtrans-78-46.5-177.8-71.9176.9000113F31 I34 L35 T94 A95F31-L98 HydrophobicContact CD1-CD1 4.42Å; I34-L98 HydrophobicContact CB-CD1 3.93Å; I34-L98 HydrophobicContact CG2-CB 4.38Å; I34-L98 HydrophobicContact CG2-CD1 3.74Å; L35-L98 HydrophobicContact CD2-CD1 4.16Å; L35-L98 HydrophobicContact CD2-CD2 3.67Å; L35-L98 HydrophobicContact CG-CD1 3.92Å; L35-L98 HydrophobicContact CG-CD2 4.2Å; T94-L98 HydrophobicContact CG2-CD1 3.81Å; T94-L98 HydrophobicContact CG2-CG 4.35Å; T94-L98 WeakPolarHBondContact O-CB 3.31Å; T94-L98 WeakPolarHBondContact O-CG 3.37Å; T94-L98 PolarHBondContact O-N 3.16Å; A95-L98 PolarHBondContact O-N 3.45Å
99L97.8Very high98.4Very high15 Ų1525.4 Ų25.48%0.07911%0.11CC..Hα-helixtrans-97.5-22.2-165.3-58.8165.8000112.5I34 C37 W39 A95 F331 L333I34-L99 HydrophobicContact CG2-CD1 3.73Å; I34-L99 HydrophobicContact CG2-CG 4.14Å; C37-L99 HydrophobicContact CB-CD2 4.43Å; W39-L99 HydrophobicContact CZ2-CB 4.15Å; W39-L99 WeakPolarHBondContact CZ2-O 3.43Å; W39-L99 PolarHBondContact NE1-O 3.06Å; A95-L99 HydrophobicContact CB-CD1 4.26Å; A95-L99 WeakPolarHBondContact O-CA 3.26Å; A95-L99 WeakPolarHBondContact O-CB 3.41Å; A95-L99 PolarHBondContact O-N 3.08Å; L99-F331 HydrophobicContact CD1-CE2 3.84Å; L99-F331 HydrophobicContact CD1-CZ 3.75Å; L99-L333 HydrophobicContact CD1-CD1 4.08Å; L99-L333 HydrophobicContact CD1-CD2 4.14Å; L99-L333 HydrophobicContact CD2-CD1 4.11Å
100K97.5Very high98.4Very high143 Ų14324.9 Ų24.962%0.62211%0.108SC*.  trans4759.1176.4-58.4179.8-179.51790113.1R61 L96R61-K100 PolarHBondContact NH2-O 2.89Å; L96-K100 WeakPolarHBondContact O-CA 3.43Å; L96-K100 PolarHBondContact O-N 3.29Å
101P98.1Very high98.4Very high2 Ų222.8 Ų22.81%0.01310%0.1CC..  trans-65.1148.2175.829.9-34.8000111.1W39 M63 L96 V104 T139W39-P101 HydrophobicContact CH2-CB 3.84Å; W39-P101 HydrophobicContact CZ2-CB 3.92Å; M63-P101 HydrophobicContact CB-CB 3.86Å; M63-P101 HydrophobicContact CB-CG 4.15Å; M63-P101 HydrophobicContact CE-CG 4.43Å; M63-P101 HydrophobicContact SD-CG 4.43Å; L96-P101 HydrophobicContact CD2-CG 3.46Å; L96-P101 VanDerWaalsContact CD2-CG 3.46Å; P101-V104 HydrophobicContact CB-CG2 4.37Å; P101-V104 HydrophobicContact CG-CG2 3.87Å; P101-T139 HydrophobicContact CG-CG2 4.28Å; P101-T139 PolarHBondContact O-OG1 3.46Å
102E98.1Very high98.2Very high32 Ų3224.9 Ų24.915%0.1511%0.111CC..SBendtrans-83.1-27.1175.1-64.3178.7-104.300111.9R61 E140 K178 K179R61-E102 HydrophobicContact CB-CG 4.34Å; R61-E102 PolarHBondContact N-OE1 2.74Å; R61-E102 PolarHBondContact O-N 2.95Å; E102-E140 PolarHBondContact O-N 2.84Å; E102-E140 VanDerWaalsContact O-N 3.08Å; E102-K178 PolarHBondContact O-NZ 3.28Å; E102-K179 IonicContact OE1-NZ 2.92Å; E102-K179 PolarHBondContact OE1-NZ 3.29Å; E102-K179 WeakPolarHBondContact OE2-CE 3.37Å; E102-K179 IonicContact OE2-NZ 2.8Å; E102-K179 PolarHBondContact OE2-NZ 3.49Å
103I98.8Very high98.1Very high0 Ų024.9 Ų24.90%011%0.111CC..EExtended strand (participates in β ladder)trans-146.2142.9177.8-172.2161.6000109.5V60 R61 A62 M63 F105 E140 V142 V176 K178V60-I103 HydrophobicContact CG1-CG2 3.66Å; R61-I103 PolarHBondContact O-N 3.29Å; A62-I103 CarbonylContact C-O 3.57Å; A62-I103 WeakPolarHBondContact CA-O 3.49Å; A62-I103 HydrophobicContact CB-CG2 3.57Å; M63-I103 PolarHBondContact N-O 2.95Å; I103-F105 HydrophobicContact CB-CE2 4.49Å; I103-F105 HydrophobicContact CD1-CE1 3.84Å; I103-F105 HydrophobicContact CD1-CE2 3.83Å; I103-F105 HydrophobicContact CD1-CZ 3.31Å; I103-F105 HydrophobicContact CG1-CD2 4.38Å; I103-F105 HydrophobicContact CG1-CE1 4.28Å; I103-F105 HydrophobicContact CG1-CE2 3.84Å; I103-F105 HydrophobicContact CG1-CZ 3.79Å; I103-F105 HydrophobicContact CG2-CE2 3.84Å; I103-F105 HydrophobicContact CG2-CZ 4.41Å; I103-E140 CarbonylContact C-O 3.54Å; I103-E140 VanDerWaalsContact CA-O 3.27Å; I103-E140 WeakPolarHBondContact CA-O 3.22Å; I103-E140 HydrophobicContact CB-CB 4.39Å; I103-E140 HydrophobicContact CD1-CB 4.45Å; I103-E140 HydrophobicContact CD1-CG 4.34Å; I103-E140 HydrophobicContact CG1-CB 4.12Å; I103-E140 HydrophobicContact CG1-CG 4.4Å; I103-V142 HydrophobicContact CD1-CG2 3.96Å; I103-V142 HydrophobicContact CG1-CG2 4.3Å; I103-V176 HydrophobicContact CD1-CG1 4.03Å; I103-K178 HydrophobicContact CB-CD 4.26Å; I103-K178 HydrophobicContact CD1-CD 4.43Å; I103-K178 HydrophobicContact CG2-CD 4.46Å
104V98.9Very high98Very high0 Ų023 Ų230%010%0.103CC..EExtended strand (participates in β ladder)trans-120.8131.7174.1-176.50000108.5M63 L65 F92 L96 P101 T139 E140 L141 V142M63-V104 HydrophobicContact CB-CG2 4.25Å; M63-V104 HydrophobicContact CE-CB 4.4Å; M63-V104 HydrophobicContact CE-CG1 3.76Å; M63-V104 HydrophobicContact CE-CG2 3.71Å; M63-V104 CarbonylContact O-C 3.59Å; M63-V104 WeakPolarHBondContact O-CA 3.43Å; L65-V104 HydrophobicContact CD1-CG1 4.35Å; L65-V104 HydrophobicContact CG-CG1 4.29Å; F92-V104 HydrophobicContact CE2-CG1 4.08Å; F92-V104 HydrophobicContact CE2-CG2 4.48Å; L96-V104 HydrophobicContact CD2-CG2 4.08Å; P101-V104 HydrophobicContact CB-CG2 4.37Å; P101-V104 HydrophobicContact CG-CG2 3.87Å; V104-T139 HydrophobicContact CG2-CG2 3.62Å; V104-E140 PolarHBondContact N-O 3.44Å; V104-L141 HydrophobicContact CB-CD1 3.77Å; V104-L141 HydrophobicContact CG1-CD1 3.77Å; V104-V142 PolarHBondContact O-N 3.21Å
105F98.9Very high97.8Very high1 Ų123.2 Ų23.20%0.00410%0.103CC..EExtended strand (participates in β ladder)trans-109.3136.9170.3-62.8-79.5000110.1A62 M63 V64 L65 I103 L107 V142 F183 L185 L244A62-F105 HydrophobicContact CB-CD2 4.38Å; A62-F105 HydrophobicContact CB-CE2 4.16Å; M63-F105 PolarHBondContact O-N 2.73Å; V64-F105 WeakPolarHBondContact CA-O 3.45Å; V64-F105 HydrophobicContact CG1-CB 4.18Å; V64-F105 HydrophobicContact CG2-CB 4.34Å; V64-F105 HydrophobicContact CG2-CD2 4.18Å; L65-F105 PolarHBondContact N-O 2.8Å; I103-F105 HydrophobicContact CB-CE2 4.49Å; I103-F105 HydrophobicContact CD1-CE1 3.84Å; I103-F105 HydrophobicContact CD1-CE2 3.83Å; I103-F105 HydrophobicContact CD1-CZ 3.31Å; I103-F105 HydrophobicContact CG1-CD2 4.38Å; I103-F105 HydrophobicContact CG1-CE1 4.28Å; I103-F105 HydrophobicContact CG1-CE2 3.84Å; I103-F105 HydrophobicContact CG1-CZ 3.79Å; I103-F105 HydrophobicContact CG2-CE2 3.84Å; I103-F105 HydrophobicContact CG2-CZ 4.41Å; F105-L107 HydrophobicContact CB-CD2 4.3Å; F105-V142 CarbonylContact C-O 3.6Å; F105-V142 VanDerWaalsContact CA-O 3.25Å; F105-V142 WeakPolarHBondContact CA-O 3.46Å; F105-V142 HydrophobicContact CD1-CB 3.6Å; F105-V142 HydrophobicContact CD1-CG1 3.71Å; F105-V142 HydrophobicContact CD1-CG2 4.44Å; F105-V142 HydrophobicContact CE1-CB 3.74Å; F105-V142 HydrophobicContact CE1-CG1 3.78Å; F105-V142 HydrophobicContact CE1-CG2 4.12Å; F105-F183 HydrophobicContact CE1-CB 4.32Å; F105-F183 HydrophobicContact CE1-CG 4.49Å; F105-F183 AromaticContact CE2-CD1 3.79Å; F105-F183 HydrophobicContact CE2-CD1 3.79Å; F105-F183 AromaticContact CE2-CE1 3.92Å; F105-F183 HydrophobicContact CE2-CE1 3.92Å; F105-F183 HydrophobicContact CE2-CG 4.13Å; F105-F183 HydrophobicContact CE2-CZ 4.35Å; F105-F183 HydrophobicContact CZ-CB 3.88Å; F105-F183 AromaticContact CZ-CD1 3.72Å; F105-F183 HydrophobicContact CZ-CD1 3.72Å; F105-F183 AromaticContact CZ-CD2 4Å; F105-F183 HydrophobicContact CZ-CD2 4Å; F105-F183 HydrophobicContact CZ-CE1 4.23Å; F105-F183 HydrophobicContact CZ-CE2 4.47Å; F105-F183 AromaticContact CZ-CG 3.59Å; F105-F183 HydrophobicContact CZ-CG 3.59Å; F105-L185 HydrophobicContact CE1-CD1 4.45Å; F105-L244 HydrophobicContact CB-CD1 4.26Å; F105-L244 HydrophobicContact CD1-CD1 3.26Å; F105-L244 HydrophobicContact CD2-CD1 3.94Å; F105-L244 HydrophobicContact CE1-CD1 3.37Å; F105-L244 HydrophobicContact CE2-CD1 4.02Å; F105-L244 HydrophobicContact CG-CD1 3.55Å; F105-L244 HydrophobicContact CZ-CD1 3.75Å
106I98.8Very high97.6Very high0 Ų030 Ų300%013%0.128CC..EExtended strand (participates in β ladder)trans-116.4116.8166.4-46.7-178.5000108.4L65 T68 G108 I110 F129 F133 L141 V142 L144L65-I106 HydrophobicContact CB-CG1 4.34Å; L65-I106 HydrophobicContact CB-CG2 4.38Å; L65-I106 HydrophobicContact CD1-CG1 4.31Å; L65-I106 CarbonylContact O-C 3.56Å; L65-I106 WeakPolarHBondContact O-CA 3.47Å; T68-I106 HydrophobicContact CG2-CG2 4.01Å; I106-G108 VanDerWaalsContact C-N 3.29Å; I106-G108 PolarHBondContact O-N 2.92Å; I106-G108 VanDerWaalsContact O-N 3.08Å; I106-I110 HydrophobicContact CB-CD1 3.74Å; I106-I110 HydrophobicContact CD1-CD1 4.49Å; I106-I110 HydrophobicContact CG2-CD1 3.23Å; I106-F129 HydrophobicContact CD1-CE2 3.83Å; I106-F129 HydrophobicContact CD1-CZ 3.93Å; I106-F133 HydrophobicContact CD1-CD1 3.98Å; I106-F133 HydrophobicContact CD1-CE1 4.11Å; I106-F133 HydrophobicContact CD1-CG 4.38Å; I106-L141 HydrophobicContact CD1-CD1 4.04Å; I106-L141 HydrophobicContact CG1-CD1 4.05Å; I106-V142 PolarHBondContact N-O 3.05Å; I106-L144 PolarHBondContact O-N 3Å
107L98.8Very high97.4Very high0 Ų029.3 Ų29.30%013%0.125CC..EExtended strand (participates in β ladder)trans-86.552.7-168.6-57-172.5000113.4V64 L65 F105 L144 L244 H246 L297 S298 V318V64-L107 HydrophobicContact CG1-CD1 3.65Å; V64-L107 HydrophobicContact CG1-CD2 4.01Å; V64-L107 HydrophobicContact CG1-CG 3.69Å; L65-L107 PolarHBondContact O-N 3.02Å; F105-L107 HydrophobicContact CB-CD2 4.3Å; L107-L144 HydrophobicContact CD2-CD1 3.95Å; L107-L144 HydrophobicContact CD2-CD2 4.36Å; L107-L244 HydrophobicContact CD2-CB 3.99Å; L107-L244 HydrophobicContact CD2-CD2 4.37Å; L107-H246 PolarHBondContact O-ND1 3.44Å; L107-L297 HydrophobicContact CD1-CB 3.93Å; L107-S298 WeakPolarHBondContact CD1-O 3.07Å; L107-V318 HydrophobicContact CD1-CB 4.16Å; L107-V318 HydrophobicContact CD1-CG2 3.74Å
108G98.2Very high97.3Very high0 Ų023.9 Ų23.90%011%0.113CC..SBendtrans83.6176177.300000114.7D67 I106 I110 L144D67-G108 PolarHBondContact N-O 3.43Å; I106-G108 VanDerWaalsContact C-N 3.29Å; I106-G108 PolarHBondContact O-N 2.92Å; I106-G108 VanDerWaalsContact O-N 3.08Å; G108-I110 VanDerWaalsContact C-N 3.33Å; G108-I110 PolarHBondContact O-N 2.78Å; G108-L144 WeakPolarHBondContact CA-O 3.43Å; G108-L144 PolarHBondContact N-O 3.03Å
109D98.6Very high97.2Very high0 Ų026.2 Ų26.20%012%0.123CC..  trans49.555.4-176-74.52.1000111.9T68 H69 G146 N147 H148 D149 H246T68-D109 PolarHBondContact N-O 2.83Å; T68-D109 VanDerWaalsContact N-O 3.14Å; H69-D109 IonicContact CE1-OD2 2.65Å; H69-D109 PolarHBondContact N-O 3.43Å; H69-D109 IonicContact NE2-OD2 2.67Å; D109-G146 VanDerWaalsContact OD1-CA 3.22Å; D109-G146 WeakPolarHBondContact OD1-CA 3.35Å; D109-N147 PolarHBondContact OD1-N 3.47Å; D109-N147 PolarHBondContact OD2-OD1 2.9Å; D109-H148 HydrophobicContact CB-CB 4.27Å; D109-H148 WeakPolarHBondContact OD1-CB 3.44Å; D109-H148 IonicContact OD1-CD2 3.73Å; D109-H148 PolarHBondContact OD1-N 3.46Å; D109-H148 IonicContact OD2-CD2 3.66Å; D109-H148 PolarHBondContact OD2-CD2 3.12Å; D109-H148 IonicContact OD2-CG 3.7Å; D109-D149 WeakPolarHBondContact CA-OD2 3.31Å; D109-D149 PolarHBondContact N-OD2 3.26Å; D109-H246 VanDerWaalsContact CG-NE2 3.34Å; D109-H246 IonicContact OD1-CE1 3.16Å; D109-H246 IonicContact OD1-NE2 3.68Å; D109-H246 PolarHBondContact OD1-NE2 3.49Å; D109-H246 IonicContact OD2-CE1 3.58Å; D109-H246 PolarHBondContact OD2-CE1 3.05Å; D109-H246 IonicContact OD2-NE2 2.72Å; D109-H246 PolarHBondContact OD2-NE2 3.42Å
110I98.3Very high97.1Very high0 Ų033.3 Ų33.30%015%0.153CC..  trans-67.6-51.4176.2-48.4-55.2000108.9T68 H69 L70 I106 G108 F129 V143 D149 F164 F168T68-I110 WeakPolarHBondContact OG1-CA 3.42Å; T68-I110 PolarHBondContact OG1-O 2.89Å; T68-I110 VanDerWaalsContact OG1-O 3.09Å; H69-I110 PolarHBondContact N-O 2.86Å; L70-I110 WeakPolarHBondContact CB-O 3.25Å; L70-I110 VanDerWaalsContact CD1-O 3.24Å; L70-I110 WeakPolarHBondContact CD1-O 3.33Å; L70-I110 PolarHBondContact N-O 2.84Å; I106-I110 HydrophobicContact CB-CD1 3.74Å; I106-I110 HydrophobicContact CD1-CD1 4.49Å; I106-I110 HydrophobicContact CG2-CD1 3.23Å; G108-I110 VanDerWaalsContact C-N 3.33Å; G108-I110 PolarHBondContact O-N 2.78Å; I110-F129 HydrophobicContact CG2-CD2 3.28Å; I110-F129 HydrophobicContact CG2-CE2 3.41Å; I110-F129 VanDerWaalsContact CG2-CE2 3.41Å; I110-F129 HydrophobicContact CG2-CG 4.21Å; I110-F129 HydrophobicContact CG2-CZ 4.42Å; I110-V143 HydrophobicContact CD1-CG1 3.49Å; I110-V143 VanDerWaalsContact CD1-CG1 3.49Å; I110-V143 HydrophobicContact CG1-CG1 3.51Å; I110-D149 WeakPolarHBondContact CA-OD1 3.39Å; I110-D149 WeakPolarHBondContact CB-OD1 3.22Å; I110-D149 PolarHBondContact N-OD1 2.84Å; I110-D149 PolarHBondContact N-OD2 2.88Å; I110-F164 HydrophobicContact CG1-CE2 4.14Å; I110-F164 HydrophobicContact CG1-CZ 4.26Å; I110-F168 HydrophobicContact CG2-CZ 4.14Å
111F97.7Very high97.1Very high0 Ų029.6 Ų29.60%014%0.138CC..BIsolated β-bridgetrans-106.2141.2178.8-52.9-65.1000110.2L70 E113 W122 D125 V126 F129 H148 D149 F168L70-F111 HydrophobicContact CB-CD1 3.94Å; L70-F111 HydrophobicContact CD2-CD1 4.07Å; L70-F111 HydrophobicContact CD2-CE1 3.88Å; F111-E113 VanDerWaalsContact C-N 3.35Å; F111-W122 HydrophobicContact CD2-CE3 4.29Å; F111-W122 AromaticContact CD2-CH2 3.86Å; F111-W122 HydrophobicContact CD2-CH2 3.86Å; F111-W122 AromaticContact CD2-CZ3 3.47Å; F111-W122 HydrophobicContact CD2-CZ3 3.47Å; F111-W122 VanDerWaalsContact CD2-CZ3 3.47Å; F111-W122 HydrophobicContact CE2-CE3 4.35Å; F111-W122 AromaticContact CE2-CH2 3.55Å; F111-W122 HydrophobicContact CE2-CH2 3.55Å; F111-W122 HydrophobicContact CE2-CZ2 4.3Å; F111-W122 AromaticContact CE2-CZ3 3.59Å; F111-W122 HydrophobicContact CE2-CZ3 3.59Å; F111-W122 HydrophobicContact CG-CZ3 4.42Å; F111-D125 HydrophobicContact CD1-CB 3.61Å; F111-D125 VanDerWaalsContact CE1-C 3.48Å; F111-D125 HydrophobicContact CE1-CB 3.64Å; F111-D125 HydrophobicContact CG-CB 4.49Å; F111-V126 HydrophobicContact CE2-CG2 4.28Å; F111-V126 HydrophobicContact CZ-CG2 3.77Å; F111-F129 HydrophobicContact CE1-CB 4.08Å; F111-F129 HydrophobicContact CZ-CB 4.29Å; F111-H148 CarbonylContact O-C 3.58Å; F111-H148 WeakPolarHBondContact O-CB 3.42Å; F111-D149 PolarHBondContact N-OD1 2.82Å; F111-F168 AromaticContact CE2-CE2 3.86Å; F111-F168 HydrophobicContact CE2-CE2 3.86Å; F111-F168 AromaticContact CE2-CZ 3.78Å; F111-F168 HydrophobicContact CE2-CZ 3.78Å; F111-F168 HydrophobicContact CZ-CE2 4.38Å; F111-F168 AromaticContact CZ-CZ 3.86Å; F111-F168 HydrophobicContact CZ-CZ 3.86Å
112D95.8Very high97Very high43 Ų4329.9 Ų29.923%0.2314%0.139CC..SBendtrans-74.2-31176.6-168.642000112.5H69 L70 K115 H148H69-D112 HydrophobicContact CB-CB 4.21Å; H69-D112 IonicContact CE1-OD1 3.96Å; H69-D112 IonicContact CG-OD1 3.42Å; H69-D112 IonicContact ND1-OD1 3.43Å; H69-D112 PolarHBondContact ND1-OD1 3.22Å; L70-D112 WeakPolarHBondContact O-CB 3.15Å; L70-D112 PolarHBondContact O-N 3.05Å; D112-K115 PolarHBondContact O-NZ 2.84Å; D112-H148 PolarHBondContact O-ND1 2.77Å; D112-H148 IonicContact OD1-CE1 3.72Å; D112-H148 PolarHBondContact OD1-CE1 3.18Å; D112-H148 IonicContact OD1-ND1 2.7Å; D112-H148 PolarHBondContact OD1-ND1 2.94Å
113E95.8Very high97Very high1 Ų133.1 Ų33.11%0.00515%0.154CC..SBendtrans-119.49.6-170.4-65.2-174.5-165.900113.4G72 A73 V74 G75 G76 F111 K115 W116 S117G72-E113 WeakPolarHBondContact CA-OE2 2.97Å; A73-E113 PolarHBondContact N-OE2 3.49Å; A73-E113 VanDerWaalsContact N-OE2 3.1Å; V74-E113 WeakPolarHBondContact CA-OE2 3.45Å; V74-E113 WeakPolarHBondContact CB-OE2 3.36Å; V74-E113 WeakPolarHBondContact CG2-OE2 3.36Å; V74-E113 PolarHBondContact N-OE1 3.49Å; V74-E113 PolarHBondContact N-OE2 3.34Å; G75-E113 WeakPolarHBondContact CA-OE1 3.3Å; G75-E113 PolarHBondContact N-OE1 3.34Å; G76-E113 PolarHBondContact N-OE1 2.96Å; G76-E113 VanDerWaalsContact N-OE1 3.13Å; F111-E113 VanDerWaalsContact C-N 3.35Å; E113-K115 PolarHBondContact O-N 2.98Å; E113-K115 VanDerWaalsContact O-N 3.14Å; E113-W116 HydrophobicContact CB-CZ2 4.44Å; E113-W116 VanDerWaalsContact CB-NE1 3.33Å; E113-W116 HydrophobicContact CG-CZ2 3.92Å; E113-W116 PolarHBondContact O-N 3.35Å; E113-S117 WeakPolarHBondContact O-CB 3.38Å; E113-S117 PolarHBondContact O-N 3.07Å
114G96.4Very high96.9Very high0 Ų035.4 Ų35.40%017%0.166CC..G310 helixtrans-47.9-48.5-177.500000111W116 S117 H148 D149 R163G114-W116 PolarHBondContact O-N 3.44Å; G114-S117 PolarHBondContact O-N 3.44Å; G114-S117 PolarHBondContact O-OG 3.08Å; G114-H148 CarbonylContact C-O 3.5Å; G114-H148 WeakPolarHBondContact CA-O 3.41Å; G114-H148 PolarHBondContact N-O 2.85Å; G114-H148 VanDerWaalsContact N-O 3.12Å; G114-D149 CarbonylContact C-O 3.56Å; G114-D149 WeakPolarHBondContact CA-O 3.4Å; G114-R163 PolarHBondContact O-NH2 3.47Å
115K94.9Very high96.8Very high13 Ų1335.4 Ų35.46%0.05717%0.166CC..G310 helixtrans-48.9-2917861.4-175.9172.5-890116.4D112 E113 H148 D149 G151 K160D112-K115 PolarHBondContact O-NZ 2.84Å; E113-K115 PolarHBondContact O-N 2.98Å; E113-K115 VanDerWaalsContact O-N 3.14Å; K115-H148 PolarHBondContact N-O 2.9Å; K115-H148 PolarHBondContact NZ-CE1 3.33Å; K115-H148 VanDerWaalsContact NZ-CG 3.29Å; K115-H148 PolarHBondContact NZ-ND1 3.31Å; K115-D149 PolarHBondContact N-O 2.79Å; K115-G151 VanDerWaalsContact CB-CA 3.45Å; K115-G151 VanDerWaalsContact CB-N 3.28Å; K115-K160 WeakPolarHBondContact O-CD 3.36Å; K115-K160 WeakPolarHBondContact O-CE 3.4Å
116W94.4Very high96.8Very high142 Ų14236.2 Ų36.254%0.53817%0.171SC..G310 helixtrans-129.64.6-179.659.557.4000114.1E113 G114 S118E113-W116 HydrophobicContact CB-CZ2 4.44Å; E113-W116 VanDerWaalsContact CB-NE1 3.33Å; E113-W116 HydrophobicContact CG-CZ2 3.92Å; E113-W116 PolarHBondContact O-N 3.35Å; G114-W116 PolarHBondContact O-N 3.44Å; W116-S118 PolarHBondContact O-N 3.34Å
117S94.1Very high96.8Very high8 Ų843 Ų436%0.05620%0.197CC..  trans-62.7135.2-178.567.80000111.3E113 G114 R163E113-S117 WeakPolarHBondContact O-CB 3.38Å; E113-S117 PolarHBondContact O-N 3.07Å; G114-S117 PolarHBondContact O-N 3.44Å; G114-S117 PolarHBondContact O-OG 3.08Å; S117-R163 PolarHBondContact O-NH1 3.2Å
118S95.3Very high96.7Very high58 Ų5844.3 Ų44.341%0.40620%0.202SC..  trans-61.7159.8166.278.90000110.6W116 K120 H121 W122W116-S118 PolarHBondContact O-N 3.34Å; S118-K120 PolarHBondContact O-N 2.97Å; S118-H121 PolarHBondContact O-N 2.9Å; S118-H121 VanDerWaalsContact O-N 3.08Å; S118-H121 PolarHBondContact OG-CD2 2.66Å; S118-H121 PolarHBondContact OG-N 2.82Å; S118-W122 WeakPolarHBondContact O-CB 3.49Å; S118-W122 PolarHBondContact O-N 2.81Å
119Q95.4Very high96.7Very high93 Ų9344.4 Ų44.444%0.43520%0.202SC..Hα-helixtrans-54.6-40.6179.2-176.161.126.300112.7W122 E123Q119-W122 WeakPolarHBondContact O-CB 3.4Å; Q119-W122 PolarHBondContact O-N 2.82Å; Q119-E123 WeakPolarHBondContact CG-OE1 3.27Å; Q119-E123 PolarHBondContact NE2-OE1 2.84Å; Q119-E123 WeakPolarHBondContact O-CG 3.41Å; Q119-E123 PolarHBondContact O-N 3.38Å
120K96.8Very high96.7Very high163 Ų16349.1 Ų49.171%0.70922%0.224SC*.Hα-helixtrans-65.2-42.2177.9-178.6-178.5177.9-177.80112.3S118 D124S118-K120 PolarHBondContact O-N 2.97Å; K120-D124 PolarHBondContact O-N 2.86Å; K120-D124 VanDerWaalsContact O-N 3.14Å
121H96.6Very high96.7Very high66 Ų6656.6 Ų56.631%0.30625%0.252SS..Hα-helixtrans-70.5-41.7178.7-67.3-48000111.1A73 S118 E123 D124 D125A73-H121 HydrophobicContact CB-CB 4.36Å; A73-H121 VanDerWaalsContact CB-CE1 3.41Å; A73-H121 WeakPolarHBondContact CB-CE1 3.18Å; A73-H121 WeakPolarHBondContact CB-ND1 3.48Å; S118-H121 PolarHBondContact O-N 2.9Å; S118-H121 VanDerWaalsContact O-N 3.08Å; S118-H121 PolarHBondContact OG-CD2 2.66Å; S118-H121 PolarHBondContact OG-N 2.82Å; H121-E123 VanDerWaalsContact C-N 3.34Å; H121-E123 PolarHBondContact O-N 2.93Å; H121-D124 WeakPolarHBondContact O-CA 3.34Å; H121-D124 WeakPolarHBondContact O-CB 3.44Å; H121-D124 PolarHBondContact O-N 2.98Å; H121-D124 VanDerWaalsContact O-N 3.08Å; H121-D125 PolarHBondContact O-N 3.2Å
122W96.9Very high96.7Very high8 Ų856.8 Ų56.83%0.0325%0.253CS..Hα-helixtrans-52.6-50171.7175.2-99.8000112F111 S118 Q119 D124 D125 V126 R163 F164 V167F111-W122 HydrophobicContact CD2-CE3 4.29Å; F111-W122 AromaticContact CD2-CH2 3.86Å; F111-W122 HydrophobicContact CD2-CH2 3.86Å; F111-W122 AromaticContact CD2-CZ3 3.47Å; F111-W122 HydrophobicContact CD2-CZ3 3.47Å; F111-W122 VanDerWaalsContact CD2-CZ3 3.47Å; F111-W122 HydrophobicContact CE2-CE3 4.35Å; F111-W122 AromaticContact CE2-CH2 3.55Å; F111-W122 HydrophobicContact CE2-CH2 3.55Å; F111-W122 HydrophobicContact CE2-CZ2 4.3Å; F111-W122 AromaticContact CE2-CZ3 3.59Å; F111-W122 HydrophobicContact CE2-CZ3 3.59Å; F111-W122 HydrophobicContact CG-CZ3 4.42Å; S118-W122 WeakPolarHBondContact O-CB 3.49Å; S118-W122 PolarHBondContact O-N 2.81Å; Q119-W122 WeakPolarHBondContact O-CB 3.4Å; Q119-W122 PolarHBondContact O-N 2.82Å; W122-D124 VanDerWaalsContact C-N 3.3Å; W122-D124 PolarHBondContact O-N 3.46Å; W122-D125 PolarHBondContact O-N 2.76Å; W122-V126 HydrophobicContact CD2-CG2 4.15Å; W122-V126 HydrophobicContact CG-CG2 4.44Å; W122-V126 HydrophobicContact CZ2-CG2 4Å; W122-V126 WeakPolarHBondContact O-CB 3.47Å; W122-V126 WeakPolarHBondContact O-CG2 3.42Å; W122-V126 PolarHBondContact O-N 3.18Å; W122-R163 HydrophobicContact CH2-CG 4.47Å; W122-R163 HydrophobicContact CZ2-CG 4.01Å; W122-F164 HydrophobicContact CH2-CB 4.2Å; W122-F164 AromaticContact CH2-CD2 4Å; W122-F164 HydrophobicContact CH2-CD2 4Å; W122-V167 HydrophobicContact CZ2-CB 4.42Å; W122-V167 HydrophobicContact CZ2-CG2 3.92Å
123E97.6Very high96.8Very high99 Ų9954.9 Ų54.946%0.46324%0.243SC..Hα-helixtrans-64-33178.2-72.9168.4-170.500113.2Q119 H121 R127Q119-E123 WeakPolarHBondContact CG-OE1 3.27Å; Q119-E123 PolarHBondContact NE2-OE1 2.84Å; Q119-E123 WeakPolarHBondContact O-CG 3.41Å; Q119-E123 PolarHBondContact O-N 3.38Å; H121-E123 VanDerWaalsContact C-N 3.34Å; H121-E123 PolarHBondContact O-N 2.93Å; E123-R127 WeakPolarHBondContact O-CB 3.26Å; E123-R127 PolarHBondContact O-N 2.9Å; E123-R127 VanDerWaalsContact O-N 3.13Å; E123-R127 PolarHBondContact O-NH2 2.96Å
124D97.1Very high96.9Very high48 Ų4861 Ų6126%0.25727%0.266SS..Hα-helixtrans-64.9-48.9171.8-17169.2000112K81 K120 H121 W122 V126 R127 R128K81-D124 IonicContact NZ-OD2 2.71Å; K81-D124 PolarHBondContact NZ-OD2 2.89Å; K120-D124 PolarHBondContact O-N 2.86Å; K120-D124 VanDerWaalsContact O-N 3.14Å; H121-D124 WeakPolarHBondContact O-CA 3.34Å; H121-D124 WeakPolarHBondContact O-CB 3.44Å; H121-D124 PolarHBondContact O-N 2.98Å; H121-D124 VanDerWaalsContact O-N 3.08Å; W122-D124 VanDerWaalsContact C-N 3.3Å; W122-D124 PolarHBondContact O-N 3.46Å; D124-V126 PolarHBondContact O-N 2.81Å; D124-R127 PolarHBondContact O-N 3.18Å; D124-R127 IonicContact OD1-CZ 2.89Å; D124-R127 IonicContact OD1-NH1 3.48Å; D124-R127 PolarHBondContact OD1-NH1 3.26Å; D124-R127 IonicContact OD1-NH2 3.59Å; D124-R128 WeakPolarHBondContact O-CG 3.18Å; D124-R128 PolarHBondContact O-N 2.95Å; D124-R128 IonicContact OD2-NE 3.8Å; D124-R128 PolarHBondContact OD2-NE 2.9Å; D124-R128 VanDerWaalsContact OD2-NE 3.07Å
125D97.1Very high97Very high0 Ų065 Ų650%028%0.284CS..Hα-helixtrans-62.8-44.8-178.2-61-7.3000110.6F111 H121 W122 R127 R128 F129F111-D125 HydrophobicContact CD1-CB 3.61Å; F111-D125 VanDerWaalsContact CE1-C 3.48Å; F111-D125 HydrophobicContact CE1-CB 3.64Å; F111-D125 HydrophobicContact CG-CB 4.49Å; H121-D125 PolarHBondContact O-N 3.2Å; W122-D125 PolarHBondContact O-N 2.76Å; D125-R127 PolarHBondContact O-N 3.15Å; D125-R128 VanDerWaalsContact CG-NH2 3.27Å; D125-R128 PolarHBondContact O-N 2.93Å; D125-R128 IonicContact OD1-CZ 3.29Å; D125-R128 IonicContact OD1-NE 3.82Å; D125-R128 IonicContact OD1-NH2 3.79Å; D125-R128 PolarHBondContact OD1-NH2 2.91Å; D125-F129 PolarHBondContact O-N 3.34Å
126V98.1Very high97Very high18 Ų1867.3 Ų67.311%0.10930%0.303CS..Hα-helixtrans-59.8-44175169.80000111.9F111 W122 D124 R128 F129 H130 V167F111-V126 HydrophobicContact CE2-CG2 4.28Å; F111-V126 HydrophobicContact CZ-CG2 3.77Å; W122-V126 HydrophobicContact CD2-CG2 4.15Å; W122-V126 HydrophobicContact CG-CG2 4.44Å; W122-V126 HydrophobicContact CZ2-CG2 4Å; W122-V126 WeakPolarHBondContact O-CB 3.47Å; W122-V126 WeakPolarHBondContact O-CG2 3.42Å; W122-V126 PolarHBondContact O-N 3.18Å; D124-V126 PolarHBondContact O-N 2.81Å; V126-R128 VanDerWaalsContact C-N 3.31Å; V126-R128 PolarHBondContact O-N 2.85Å; V126-F129 WeakPolarHBondContact O-CB 3.23Å; V126-F129 PolarHBondContact O-N 3.46Å; V126-H130 PolarHBondContact O-CD2 3.08Å; V126-H130 PolarHBondContact O-N 2.97Å; V126-V167 HydrophobicContact CB-CG1 4.45Å; V126-V167 HydrophobicContact CG1-CG1 3.62Å; V126-V167 HydrophobicContact CG1-CG2 4.23Å; V126-V167 HydrophobicContact CG2-CG1 3.96Å; V126-V167 HydrophobicContact CG2-CG2 4.01Å
127R98.2Very high97.1Very high142 Ų14266.4 Ų66.454%0.53632%0.318SS..Hα-helixtrans-62.6-40.8177.9-166.7-170.1-34.894.66.9111.6E123 D124 D125 R131E123-R127 WeakPolarHBondContact O-CB 3.26Å; E123-R127 PolarHBondContact O-N 2.9Å; E123-R127 VanDerWaalsContact O-N 3.13Å; E123-R127 PolarHBondContact O-NH2 2.96Å; D124-R127 PolarHBondContact O-N 3.18Å; D124-R127 IonicContact OD1-CZ 2.89Å; D124-R127 IonicContact OD1-NH1 3.48Å; D124-R127 PolarHBondContact OD1-NH1 3.26Å; D124-R127 IonicContact OD1-NH2 3.59Å; D125-R127 PolarHBondContact O-N 3.15Å; R127-R131 PolarHBondContact O-N 2.95Å; R127-R131 VanDerWaalsContact O-N 3.13Å
128R97.6Very high97.1Very high29 Ų2972.2 Ų72.211%0.10935%0.348CS..Hα-helixtrans-67.7-42.1177.1-67.8179.7-57.2100-13.9111.2L71 K81 E85 D124 D125 V126 H130 R131 M132L71-R128 PolarHBondContact O-NH2 2.84Å; K81-R128 VanDerWaalsContact NZ-NE 3.18Å; E85-R128 IonicContact OE1-CZ 3.44Å; E85-R128 IonicContact OE1-NH1 4Å; E85-R128 PolarHBondContact OE1-NH1 3.41Å; E85-R128 IonicContact OE1-NH2 3.51Å; E85-R128 IonicContact OE2-CZ 2.71Å; E85-R128 IonicContact OE2-NH1 3.18Å; E85-R128 PolarHBondContact OE2-NH1 2.85Å; D124-R128 WeakPolarHBondContact O-CG 3.18Å; D124-R128 PolarHBondContact O-N 2.95Å; D124-R128 IonicContact OD2-NE 3.8Å; D124-R128 PolarHBondContact OD2-NE 2.9Å; D124-R128 VanDerWaalsContact OD2-NE 3.07Å; D125-R128 VanDerWaalsContact CG-NH2 3.27Å; D125-R128 PolarHBondContact O-N 2.93Å; D125-R128 IonicContact OD1-CZ 3.29Å; D125-R128 IonicContact OD1-NE 3.82Å; D125-R128 IonicContact OD1-NH2 3.79Å; D125-R128 PolarHBondContact OD1-NH2 2.91Å; V126-R128 VanDerWaalsContact C-N 3.31Å; V126-R128 PolarHBondContact O-N 2.85Å; R128-H130 PolarHBondContact O-N 2.82Å; R128-R131 WeakPolarHBondContact O-CB 3.5Å; R128-R131 PolarHBondContact O-N 2.71Å; R128-M132 HydrophobicContact CB-CE 4.46Å; R128-M132 WeakPolarHBondContact O-CG 3.4Å; R128-M132 PolarHBondContact O-N 2.98Å
129F98.4Very high97.2Very high2 Ų270 Ų701%0.00933%0.333CS..Hα-helixtrans-53.2-55.1172.4176.6-89.2000111.5L70 I106 I110 F111 D125 V126 R131 M132 F133 L141 V143 F168L70-F129 HydrophobicContact CD2-CB 3.69Å; L70-F129 HydrophobicContact CD2-CD2 4.27Å; I106-F129 HydrophobicContact CD1-CE2 3.83Å; I106-F129 HydrophobicContact CD1-CZ 3.93Å; I110-F129 HydrophobicContact CG2-CD2 3.28Å; I110-F129 HydrophobicContact CG2-CE2 3.41Å; I110-F129 VanDerWaalsContact CG2-CE2 3.41Å; I110-F129 HydrophobicContact CG2-CG 4.21Å; I110-F129 HydrophobicContact CG2-CZ 4.42Å; F111-F129 HydrophobicContact CE1-CB 4.08Å; F111-F129 HydrophobicContact CZ-CB 4.29Å; D125-F129 PolarHBondContact O-N 3.34Å; V126-F129 WeakPolarHBondContact O-CB 3.23Å; V126-F129 PolarHBondContact O-N 3.46Å; F129-R131 PolarHBondContact O-N 3.23Å; F129-M132 PolarHBondContact O-N 2.01Å; F129-M132 VanDerWaalsContact O-N 3.13Å; F129-F133 AromaticContact CD2-CD2 3.4Å; F129-F133 HydrophobicContact CD2-CD2 3.4Å; F129-F133 VanDerWaalsContact CD2-CD2 3.4Å; F129-F133 AromaticContact CD2-CE2 3.82Å; F129-F133 HydrophobicContact CD2-CE2 3.82Å; F129-F133 HydrophobicContact CD2-CG 4.27Å; F129-F133 HydrophobicContact CE1-CB 4.24Å; F129-F133 HydrophobicContact CE2-CB 4.24Å; F129-F133 AromaticContact CE2-CD2 3.4Å; F129-F133 HydrophobicContact CE2-CD2 3.4Å; F129-F133 AromaticContact CE2-CE2 3.89Å; F129-F133 HydrophobicContact CE2-CE2 3.89Å; F129-F133 AromaticContact CE2-CG 3.86Å; F129-F133 HydrophobicContact CE2-CG 3.86Å; F129-F133 HydrophobicContact CG-CD2 4.08Å; F129-F133 HydrophobicContact CZ-CB 4.02Å; F129-F133 HydrophobicContact CZ-CD2 4.05Å; F129-F133 HydrophobicContact CZ-CG 4.11Å; F129-F133 WeakPolarHBondContact O-CD2 3.21Å; F129-F133 PolarHBondContact O-N 3.41Å; F129-L141 HydrophobicContact CE1-CD2 4.08Å; F129-L141 HydrophobicContact CZ-CD2 3.98Å; F129-V143 HydrophobicContact CZ-CG2 4.1Å; F129-F168 AromaticContact CD1-CE1 3.64Å; F129-F168 HydrophobicContact CD1-CE1 3.64Å; F129-F168 HydrophobicContact CD1-CZ 4.28Å; F129-F168 HydrophobicContact CE1-CD1 4.18Å; F129-F168 AromaticContact CE1-CE1 3.43Å; F129-F168 HydrophobicContact CE1-CE1 3.43Å; F129-F168 VanDerWaalsContact CE1-CE1 3.43Å; F129-F168 HydrophobicContact CE1-CZ 4.37Å; F129-F168 HydrophobicContact CE2-CE1 4.37Å; F129-F168 HydrophobicContact CG-CE1 4.23Å; F129-F168 HydrophobicContact CG-CZ 4.47Å; F129-F168 AromaticContact CZ-CE1 3.8Å; F129-F168 HydrophobicContact CZ-CE1 3.8Å
130H98.3Very high97.4Very high98 Ų9869 Ų6945%0.45433%0.327SS..Hα-helixtrans-61.3-31.8-178.9-73.4-56.8000113.1V126 R128 R134V126-H130 PolarHBondContact O-CD2 3.08Å; V126-H130 PolarHBondContact O-N 2.97Å; R128-H130 PolarHBondContact O-N 2.82Å; H130-R134 WeakPolarHBondContact O-CB 3.42Å; H130-R134 PolarHBondContact O-N 2.96Å
131R97.7Very high97.5Very high158 Ų15862.8 Ų62.860%0.59630%0.302SS*.Hα-helixtrans-68-49.1174.1177.3-176.9164.7177.6-1.5111.7E89 R127 R128 F129 R134E89-R131 IonicContact OE2-NE 3.89Å; R127-R131 PolarHBondContact O-N 2.95Å; R127-R131 VanDerWaalsContact O-N 3.13Å; R128-R131 WeakPolarHBondContact O-CB 3.5Å; R128-R131 PolarHBondContact O-N 2.71Å; F129-R131 PolarHBondContact O-N 3.23Å; R131-R134 WeakPolarHBondContact O-CD 3.36Å; R131-R134 WeakPolarHBondContact O-CG 3.48Å
132M97.6Very high97.6Very high4 Ų459.8 Ų59.82%0.0229%0.288CS..Hα-helixtrans-71.4-43.2-174.6-66.1-171.3-72.500112.1L70 E85 E89 F92 Q93 R128 F129 R134L70-M132 HydrophobicContact CD1-CE 3.82Å; L70-M132 HydrophobicContact CD2-CE 3.37Å; L70-M132 HydrophobicContact CG-CE 3.44Å; L70-M132 VanDerWaalsContact CG-CE 3.44Å; E85-M132 HydrophobicContact CB-CE 4.34Å; E85-M132 HydrophobicContact CB-SD 3.48Å; E85-M132 WeakPolarHBondContact CB-SD 3.22Å; E85-M132 HydrophobicContact CG-CE 4.01Å; E85-M132 HydrophobicContact CG-SD 3.81Å; E89-M132 HydrophobicContact CB-CB 4.12Å; E89-M132 HydrophobicContact CB-CG 3.96Å; E89-M132 HydrophobicContact CG-CB 4.38Å; E89-M132 HydrophobicContact CG-CG 4.37Å; F92-M132 WeakPolarHBondContact CD1-O 2.98Å; Q93-M132 PolarHBondContact NE2-O 3.35Å; R128-M132 HydrophobicContact CB-CE 4.46Å; R128-M132 WeakPolarHBondContact O-CG 3.4Å; R128-M132 PolarHBondContact O-N 2.98Å; F129-M132 PolarHBondContact O-N 2.01Å; F129-M132 VanDerWaalsContact O-N 3.13Å; M132-R134 VanDerWaalsContact C-N 3.3Å; M132-R134 PolarHBondContact O-N 2.86Å
133F98.3Very high97.6Very high2 Ų259.6 Ų59.61%0.00929%0.288CS..THydrogen-bonded Turntrans-95.125.5-178.2-61.5-84.1000113.1L65 T68 L70 F92 I106 F129 H135 L141L65-F133 HydrophobicContact CD1-CE1 4.05Å; T68-F133 HydrophobicContact CG2-CE1 4.14Å; T68-F133 HydrophobicContact CG2-CE2 4.43Å; T68-F133 HydrophobicContact CG2-CZ 3.58Å; L70-F133 HydrophobicContact CD1-CE2 4.08Å; F92-F133 HydrophobicContact CB-CD1 4.33Å; F92-F133 HydrophobicContact CB-CE1 4.33Å; F92-F133 HydrophobicContact CD1-CB 4.35Å; F92-F133 AromaticContact CD1-CD1 3.91Å; F92-F133 HydrophobicContact CD1-CD1 3.91Å; F92-F133 HydrophobicContact CD1-CG 4.47Å; F92-F133 AromaticContact CD2-CD1 3.68Å; F92-F133 HydrophobicContact CD2-CD1 3.68Å; F92-F133 HydrophobicContact CD2-CE1 4.03Å; F92-F133 VanDerWaalsContact CE1-C 3.49Å; F92-F133 VanDerWaalsContact CE1-CA 3.42Å; F92-F133 HydrophobicContact CE1-CB 4.01Å; F92-F133 HydrophobicContact CE1-CD1 4.08Å; F92-F133 AromaticContact CE2-CD1 3.85Å; F92-F133 HydrophobicContact CE2-CD1 3.85Å; F92-F133 AromaticContact CG-CD1 3.69Å; F92-F133 HydrophobicContact CG-CD1 3.69Å; F92-F133 HydrophobicContact CG-CE1 4.11Å; F92-F133 HydrophobicContact CZ-CB 4.3Å; F92-F133 HydrophobicContact CZ-CD1 4.04Å; I106-F133 HydrophobicContact CD1-CD1 3.98Å; I106-F133 HydrophobicContact CD1-CE1 4.11Å; I106-F133 HydrophobicContact CD1-CG 4.38Å; F129-F133 AromaticContact CD2-CD2 3.4Å; F129-F133 HydrophobicContact CD2-CD2 3.4Å; F129-F133 VanDerWaalsContact CD2-CD2 3.4Å; F129-F133 AromaticContact CD2-CE2 3.82Å; F129-F133 HydrophobicContact CD2-CE2 3.82Å; F129-F133 HydrophobicContact CD2-CG 4.27Å; F129-F133 HydrophobicContact CE1-CB 4.24Å; F129-F133 HydrophobicContact CE2-CB 4.24Å; F129-F133 AromaticContact CE2-CD2 3.4Å; F129-F133 HydrophobicContact CE2-CD2 3.4Å; F129-F133 AromaticContact CE2-CE2 3.89Å; F129-F133 HydrophobicContact CE2-CE2 3.89Å; F129-F133 AromaticContact CE2-CG 3.86Å; F129-F133 HydrophobicContact CE2-CG 3.86Å; F129-F133 HydrophobicContact CG-CD2 4.08Å; F129-F133 HydrophobicContact CZ-CB 4.02Å; F129-F133 HydrophobicContact CZ-CD2 4.05Å; F129-F133 HydrophobicContact CZ-CG 4.11Å; F129-F133 WeakPolarHBondContact O-CD2 3.21Å; F129-F133 PolarHBondContact O-N 3.41Å; F133-H135 PolarHBondContact O-ND1 3.34Å; F133-L141 HydrophobicContact CB-CD2 4.17Å
134R98.3Very high97.6Very high129 Ų12955.2 Ų55.249%0.48727%0.268SS..  trans-59.5140.3173.466.9-176.4-174.7-167.4-0.7110.9Q93 H130 R131 M132Q93-R134 PolarHBondContact NE2-O 3.39Å; H130-R134 WeakPolarHBondContact O-CB 3.42Å; H130-R134 PolarHBondContact O-N 2.96Å; R131-R134 WeakPolarHBondContact O-CD 3.36Å; R131-R134 WeakPolarHBondContact O-CG 3.48Å; M132-R134 VanDerWaalsContact C-N 3.3Å; M132-R134 PolarHBondContact O-N 2.86Å
135H98Very high97.7Very high84 Ų8453.4 Ų53.439%0.38926%0.258SS..  trans-147.9161.1-176.251.7-84.6000110L96 F133 T139 L141L96-H135 HydrophobicContact CD1-CB 3.72Å; F133-H135 PolarHBondContact O-ND1 3.34Å; H135-T139 PolarHBondContact CD2-O 3.42Å; H135-L141 WeakPolarHBondContact CE1-CB 3.28Å
136S96.1Very high97.7Very high63 Ų6353.4 Ų53.444%0.44126%0.258SS..  trans-78.2165.9172640000110.8D138 T139S136-D138 PolarHBondContact O-N 2.68Å; S136-D138 VanDerWaalsContact O-N 3.11Å; S136-T139 PolarHBondContact O-N 2.63Å; S136-T139 VanDerWaalsContact O-N 3.16Å
137S95Very high97.7Very high122 Ų12252.5 Ų52.585%0.85325%0.253SS*.THydrogen-bonded Turntrans-59.8-18174.450.80000114.3T139S137-T139 PolarHBondContact O-N 2.96Å
138D95.1Very high97.7Very high130 Ų13047.5 Ų47.570%0.69524%0.236SC*.THydrogen-bonded Turntrans-76-15.2-179.9-54.3-38.3000112.7S136S136-D138 PolarHBondContact O-N 2.68Å; S136-D138 VanDerWaalsContact O-N 3.11Å
139T98.1Very high97.8Very high13 Ų1346.1 Ų46.18%0.0823%0.231CC..SBendtrans-115.2121.4179.7-63.30000109L96 P101 V104 H135 S136 S137L96-T139 HydrophobicContact CD2-CG2 4.18Å; P101-T139 HydrophobicContact CG-CG2 4.28Å; P101-T139 PolarHBondContact O-OG1 3.46Å; V104-T139 HydrophobicContact CG2-CG2 3.62Å; H135-T139 PolarHBondContact CD2-O 3.42Å; S136-T139 PolarHBondContact O-N 2.63Å; S136-T139 VanDerWaalsContact O-N 3.16Å; S137-T139 PolarHBondContact O-N 2.96Å
140E98.2Very high97.7Very high70 Ų7046 Ų4633%0.32723%0.23SC..EExtended strand (participates in β ladder)trans-85.4128.7174.4-173.9179.5176.600110.1E102 I103 V104 V142 K178E102-E140 PolarHBondContact O-N 2.84Å; E102-E140 VanDerWaalsContact O-N 3.08Å; I103-E140 CarbonylContact C-O 3.54Å; I103-E140 VanDerWaalsContact CA-O 3.27Å; I103-E140 WeakPolarHBondContact CA-O 3.22Å; I103-E140 HydrophobicContact CB-CB 4.39Å; I103-E140 HydrophobicContact CD1-CB 4.45Å; I103-E140 HydrophobicContact CD1-CG 4.34Å; I103-E140 HydrophobicContact CG1-CB 4.12Å; I103-E140 HydrophobicContact CG1-CG 4.4Å; V104-E140 PolarHBondContact N-O 3.44Å; E140-V142 HydrophobicContact CG-CG2 4.06Å; E140-K178 IonicContact OE2-NZ 3.02Å; E140-K178 PolarHBondContact OE2-NZ 2.92Å
141L98.5Very high97.7Very high33 Ų3341.4 Ų41.417%0.17321%0.209CC..EExtended strand (participates in β ladder)trans-104.7121.8174-18062.8000110V104 I106 F129 F133 H135 V143V104-L141 HydrophobicContact CB-CD1 3.77Å; V104-L141 HydrophobicContact CG1-CD1 3.77Å; I106-L141 HydrophobicContact CD1-CD1 4.04Å; I106-L141 HydrophobicContact CG1-CD1 4.05Å; F129-L141 HydrophobicContact CE1-CD2 4.08Å; F129-L141 HydrophobicContact CZ-CD2 3.98Å; F133-L141 HydrophobicContact CB-CD2 4.17Å; H135-L141 WeakPolarHBondContact CE1-CB 3.28Å; L141-V143 HydrophobicContact CG-CG2 4.25Å
142V98.6Very high97.6Very high3 Ų335.3 Ų35.32%0.01819%0.187CC..EExtended strand (participates in β ladder)trans-120.9128.4179.6177.40000109.3I103 V104 F105 I106 E140 V176 L185I103-V142 HydrophobicContact CD1-CG2 3.96Å; I103-V142 HydrophobicContact CG1-CG2 4.3Å; V104-V142 PolarHBondContact O-N 3.21Å; F105-V142 CarbonylContact C-O 3.6Å; F105-V142 VanDerWaalsContact CA-O 3.25Å; F105-V142 WeakPolarHBondContact CA-O 3.46Å; F105-V142 HydrophobicContact CD1-CB 3.6Å; F105-V142 HydrophobicContact CD1-CG1 3.71Å; F105-V142 HydrophobicContact CD1-CG2 4.44Å; F105-V142 HydrophobicContact CE1-CB 3.74Å; F105-V142 HydrophobicContact CE1-CG1 3.78Å; F105-V142 HydrophobicContact CE1-CG2 4.12Å; I106-V142 PolarHBondContact N-O 3.05Å; E140-V142 HydrophobicContact CG-CG2 4.06Å; V142-V176 HydrophobicContact CG1-CG2 4.48Å; V142-V176 HydrophobicContact CG2-CG2 4.48Å; V142-L185 HydrophobicContact CG1-CD1 4.49Å; V142-L185 HydrophobicContact CG1-CD2 3.36Å; V142-L185 HydrophobicContact CG1-CG 4.45Å
143V98.2Very high97.4Very high5 Ų536 Ų363%0.0319%0.19CC..EExtended strand (participates in β ladder)trans-118.2133.7-174.4-177.40000109.4I110 F129 L141 F164 F168I110-V143 HydrophobicContact CD1-CG1 3.49Å; I110-V143 VanDerWaalsContact CD1-CG1 3.49Å; I110-V143 HydrophobicContact CG1-CG1 3.51Å; F129-V143 HydrophobicContact CZ-CG2 4.1Å; L141-V143 HydrophobicContact CG-CG2 4.25Å; V143-F164 HydrophobicContact CG1-CZ 3.83Å; V143-F168 HydrophobicContact CB-CB 4.14Å; V143-F168 HydrophobicContact CB-CD1 4Å; V143-F168 HydrophobicContact CB-CG 4Å; V143-F168 HydrophobicContact CG1-CD1 4.16Å; V143-F168 HydrophobicContact CG1-CD2 4.25Å; V143-F168 HydrophobicContact CG1-CE1 4.41Å; V143-F168 HydrophobicContact CG1-CE2 4.48Å; V143-F168 HydrophobicContact CG1-CG 4.08Å; V143-F168 HydrophobicContact CG2-CD1 3.78Å; V143-F168 HydrophobicContact CG2-CE1 4.25Å; V143-F168 HydrophobicContact CG2-CG 4.3Å
144L97.8Very high97.2Very high7 Ų744.4 Ų44.44%0.03722%0.223CC..EExtended strand (participates in β ladder)trans-101.1156.4169.8-72.780.5000109.5I106 L107 G108 F164 L185 L244I106-L144 PolarHBondContact O-N 3Å; L107-L144 HydrophobicContact CD2-CD1 3.95Å; L107-L144 HydrophobicContact CD2-CD2 4.36Å; G108-L144 WeakPolarHBondContact CA-O 3.43Å; G108-L144 PolarHBondContact N-O 3.03Å; L144-F164 WeakPolarHBondContact O-CZ 3.38Å; L144-L185 HydrophobicContact CD1-CD2 3.64Å; L144-L185 HydrophobicContact CD1-CG 3.9Å; L144-L185 HydrophobicContact CD2-CB 4.24Å; L144-L185 HydrophobicContact CD2-CG 4.22Å; L144-L185 HydrophobicContact CG-CB 4.29Å; L144-L185 HydrophobicContact CG-CD2 3.84Å; L144-L185 HydrophobicContact CG-CG 4.02Å; L144-L244 HydrophobicContact CD1-CB 4.32Å; L144-L244 HydrophobicContact CD2-CB 3.84Å; L144-L244 WeakPolarHBondContact CD2-O 3.23Å
145V98.1Very high97.1Very high9 Ų942.7 Ų42.76%0.05522%0.22CC..  trans-87.3138178.168.30000111D149 I150 F164 N187V145-D149 HydrophobicContact CG2-CB 3.99Å; V145-I150 HydrophobicContact CG1-CD1 4.38Å; V145-I150 HydrophobicContact CG2-CB 4.18Å; V145-I150 HydrophobicContact CG2-CD1 3.64Å; V145-I150 HydrophobicContact CG2-CG1 3.72Å; V145-I150 HydrophobicContact CG2-CG2 3.45Å; V145-I150 VanDerWaalsContact CG2-CG2 3.45Å; V145-F164 HydrophobicContact CB-CD1 3.94Å; V145-F164 HydrophobicContact CB-CE1 3.57Å; V145-F164 HydrophobicContact CB-CZ 3.92Å; V145-F164 HydrophobicContact CG2-CD1 3.93Å; V145-F164 HydrophobicContact CG2-CD2 4.28Å; V145-F164 HydrophobicContact CG2-CE1 3.95Å; V145-F164 HydrophobicContact CG2-CE2 4.29Å; V145-F164 HydrophobicContact CG2-CG 4.12Å; V145-F164 HydrophobicContact CG2-CZ 4.13Å; V145-N187 HydrophobicContact CG1-CB 3.81Å; V145-N187 WeakPolarHBondContact CG1-OD1 3.12Å
146G98.4Very high97Very high0 Ų039.7 Ų39.70%021%0.206CC..  trans-116.7-179.6169.100000113.2D109 D149 I150 H246D109-G146 VanDerWaalsContact OD1-CA 3.22Å; D109-G146 WeakPolarHBondContact OD1-CA 3.35Å; G146-D149 PolarHBondContact N-OD2 2.66Å; G146-D149 WeakPolarHBondContact O-CB 3.38Å; G146-D149 PolarHBondContact O-N 2.95Å; G146-I150 PolarHBondContact O-N 2.72Å; G146-H246 WeakPolarHBondContact CA-CD2 3.48Å
147N98.4Very high97Very high0 Ų039.3 Ų39.30%020%0.2CC..Hα-helixtrans-74.6-26.7-17661.2-72.2000113D109 D149 G151 F152 V189 H246 Y247 H300D109-N147 PolarHBondContact OD1-N 3.47Å; D109-N147 PolarHBondContact OD2-OD1 2.9Å; N147-D149 VanDerWaalsContact C-N 3.27Å; N147-D149 PolarHBondContact O-N 3.33Å; N147-G151 CarbonylContact O-C 3.56Å; N147-G151 WeakPolarHBondContact O-CA 3.39Å; N147-G151 PolarHBondContact O-N 2.8Å; N147-F152 HydrophobicContact CB-CD1 4.12Å; N147-F152 HydrophobicContact CB-CD2 4.46Å; N147-F152 HydrophobicContact CB-CE1 4.24Å; N147-F152 HydrophobicContact CB-CG 4.24Å; N147-F152 HydrophobicContact CB-CZ 4.49Å; N147-F152 WeakPolarHBondContact ND2-CE1 3.29Å; N147-F152 WeakPolarHBondContact ND2-CE2 3.33Å; N147-F152 WeakPolarHBondContact ND2-CZ 3.47Å; N147-V189 HydrophobicContact CB-CG2 4.29Å; N147-H246 PolarHBondContact OD1-NE2 2.83Å; N147-Y247 HydrophobicContact CB-CE1 4.04Å; N147-Y247 VanDerWaalsContact CB-OH 3.29Å; N147-Y247 WeakPolarHBondContact CB-OH 3.39Å; N147-Y247 WeakPolarHBondContact OD1-CE1 3.22Å; N147-H300 PolarHBondContact OD1-CE1 3.38Å; N147-H300 PolarHBondContact OD1-ND1 2.85Å; N147-H300 VanDerWaalsContact OD1-ND1 3.1Å
148H98.1Very high97.1Very high37 Ų3738.5 Ų38.517%0.17118%0.178CC..Hα-helixtrans-72.1-24172.6-76-117.2000112.4H69 D109 F111 D112 G114 K115H69-H148 AromaticContact CE1-CD2 3.71Å; H69-H148 AromaticContact CE1-CE1 3.73Å; H69-H148 AromaticContact CE1-CG 3.67Å; H69-H148 AromaticContact CE1-ND1 3.67Å; H69-H148 AromaticContact CE1-NE2 3.83Å; H69-H148 AromaticContact ND1-CE1 4Å; H69-H148 AromaticContact ND1-ND1 3.69Å; D109-H148 HydrophobicContact CB-CB 4.27Å; D109-H148 WeakPolarHBondContact OD1-CB 3.44Å; D109-H148 IonicContact OD1-CD2 3.73Å; D109-H148 PolarHBondContact OD1-N 3.46Å; D109-H148 IonicContact OD2-CD2 3.66Å; D109-H148 PolarHBondContact OD2-CD2 3.12Å; D109-H148 IonicContact OD2-CG 3.7Å; F111-H148 CarbonylContact O-C 3.58Å; F111-H148 WeakPolarHBondContact O-CB 3.42Å; D112-H148 PolarHBondContact O-ND1 2.77Å; D112-H148 IonicContact OD1-CE1 3.72Å; D112-H148 PolarHBondContact OD1-CE1 3.18Å; D112-H148 IonicContact OD1-ND1 2.7Å; D112-H148 PolarHBondContact OD1-ND1 2.94Å; G114-H148 CarbonylContact C-O 3.5Å; G114-H148 WeakPolarHBondContact CA-O 3.41Å; G114-H148 PolarHBondContact N-O 2.85Å; G114-H148 VanDerWaalsContact N-O 3.12Å; K115-H148 PolarHBondContact N-O 2.9Å; K115-H148 PolarHBondContact NZ-CE1 3.33Å; K115-H148 VanDerWaalsContact NZ-CG 3.29Å; K115-H148 PolarHBondContact NZ-ND1 3.31Å
149D98.2Very high97.2Very high0 Ų038 Ų380%017%0.17CC..Hα-helixtrans-74.7-44.4179.6-62-51.1000112.7D109 I110 F111 G114 K115 V145 G146 N147 F164D109-D149 WeakPolarHBondContact CA-OD2 3.31Å; D109-D149 PolarHBondContact N-OD2 3.26Å; I110-D149 WeakPolarHBondContact CA-OD1 3.39Å; I110-D149 WeakPolarHBondContact CB-OD1 3.22Å; I110-D149 PolarHBondContact N-OD1 2.84Å; I110-D149 PolarHBondContact N-OD2 2.88Å; F111-D149 PolarHBondContact N-OD1 2.82Å; G114-D149 CarbonylContact C-O 3.56Å; G114-D149 WeakPolarHBondContact CA-O 3.4Å; K115-D149 PolarHBondContact N-O 2.79Å; V145-D149 HydrophobicContact CG2-CB 3.99Å; G146-D149 PolarHBondContact N-OD2 2.66Å; G146-D149 WeakPolarHBondContact O-CB 3.38Å; G146-D149 PolarHBondContact O-N 2.95Å; N147-D149 VanDerWaalsContact C-N 3.27Å; N147-D149 PolarHBondContact O-N 3.33Å; D149-F164 HydrophobicContact CB-CD2 3.68Å; D149-F164 HydrophobicContact CB-CE2 3.61Å; D149-F164 VanDerWaalsContact CG-CE2 3.46Å
150I97.7Very high97.2Very high0 Ų039 Ų390%017%0.173CC..Hα-helixtrans-123.5-5.5-171.964.9170.4000114.6V145 G146 M156 K160 L161 F164 V189V145-I150 HydrophobicContact CG1-CD1 4.38Å; V145-I150 HydrophobicContact CG2-CB 4.18Å; V145-I150 HydrophobicContact CG2-CD1 3.64Å; V145-I150 HydrophobicContact CG2-CG1 3.72Å; V145-I150 HydrophobicContact CG2-CG2 3.45Å; V145-I150 VanDerWaalsContact CG2-CG2 3.45Å; G146-I150 PolarHBondContact O-N 2.72Å; I150-M156 HydrophobicContact CD1-CG 3.77Å; I150-M156 HydrophobicContact CD1-SD 3.55Å; I150-M156 VanDerWaalsContact CD1-SD 3.55Å; I150-M156 HydrophobicContact CG1-CG 4.27Å; I150-M156 WeakPolarHBondContact O-CA 3.28Å; I150-K160 HydrophobicContact CB-CB 4.18Å; I150-K160 HydrophobicContact CG2-CB 4.39Å; I150-K160 WeakPolarHBondContact O-CD 3.21Å; I150-L161 HydrophobicContact CD1-CD1 4.23Å; I150-F164 HydrophobicContact CG2-CB 4.08Å; I150-F164 HydrophobicContact CG2-CG 4.4Å; I150-V189 HydrophobicContact CD1-CB 4.31Å; I150-V189 HydrophobicContact CD1-CG1 4.25Å; I150-V189 HydrophobicContact CG1-CG1 4.44Å
151G97.1Very high97.2Very high0 Ų035.8 Ų35.80%016%0.158CC..  trans104.5154.5-176.200000111.6K115 N147 V189K115-G151 VanDerWaalsContact CB-CA 3.45Å; K115-G151 VanDerWaalsContact CB-N 3.28Å; N147-G151 CarbonylContact O-C 3.56Å; N147-G151 WeakPolarHBondContact O-CA 3.39Å; N147-G151 PolarHBondContact O-N 2.8Å; G151-V189 WeakPolarHBondContact O-CG1 3.41Å
152F96.2Very high97.1Very high31 Ų3139.4 Ų39.414%0.13617%0.174CC..SBendtrans-59.4166.9161.8-75.2-88.5000109.7N147 Y154 E155 M156 Y247 Y276N147-F152 HydrophobicContact CB-CD1 4.12Å; N147-F152 HydrophobicContact CB-CD2 4.46Å; N147-F152 HydrophobicContact CB-CE1 4.24Å; N147-F152 HydrophobicContact CB-CG 4.24Å; N147-F152 HydrophobicContact CB-CZ 4.49Å; N147-F152 WeakPolarHBondContact ND2-CE1 3.29Å; N147-F152 WeakPolarHBondContact ND2-CE2 3.33Å; N147-F152 WeakPolarHBondContact ND2-CZ 3.47Å; F152-Y154 VanDerWaalsContact C-N 3.25Å; F152-Y154 PolarHBondContact O-N 3.04Å; F152-E155 CarbonylContact O-C 3.54Å; F152-E155 WeakPolarHBondContact O-CA 3.28Å; F152-E155 PolarHBondContact O-N 3.4Å; F152-M156 PolarHBondContact O-N 3.42Å; F152-Y247 WeakPolarHBondContact CD1-OH 3.12Å; F152-Y247 WeakPolarHBondContact CE1-OH 3.16Å; F152-Y276 AromaticContact CD1-CD2 3.66Å; F152-Y276 HydrophobicContact CD1-CD2 3.66Å; F152-Y276 AromaticContact CD1-CE2 3.49Å; F152-Y276 HydrophobicContact CD1-CE2 3.49Å; F152-Y276 VanDerWaalsContact CD1-CE2 3.49Å; F152-Y276 HydrophobicContact CD1-CG 4.48Å; F152-Y276 HydrophobicContact CD2-CE2 4.31Å; F152-Y276 HydrophobicContact CE1-CD1 4.24Å; F152-Y276 AromaticContact CE1-CD2 3.52Å; F152-Y276 HydrophobicContact CE1-CD2 3.52Å; F152-Y276 AromaticContact CE1-CE1 3.96Å; F152-Y276 HydrophobicContact CE1-CE1 3.96Å; F152-Y276 AromaticContact CE1-CE2 3.18Å; F152-Y276 HydrophobicContact CE1-CE2 3.18Å; F152-Y276 HydrophobicContact CE1-CG 4.04Å; F152-Y276 AromaticContact CE1-CZ 3.43Å; F152-Y276 VanDerWaalsContact CE1-CZ 3.43Å; F152-Y276 HydrophobicContact CE2-CE2 4.05Å; F152-Y276 HydrophobicContact CG-CE2 4.04Å; F152-Y276 HydrophobicContact CZ-CD2 4.26Å; F152-Y276 AromaticContact CZ-CE1 3.99Å; F152-Y276 HydrophobicContact CZ-CE1 3.99Å; F152-Y276 AromaticContact CZ-CE2 3.48Å; F152-Y276 HydrophobicContact CZ-CE2 3.48Å; F152-Y276 VanDerWaalsContact CZ-CE2 3.48Å; F152-Y276 AromaticContact CZ-CZ 3.31Å; F152-Y276 VanDerWaalsContact CZ-OH 3.25Å; F152-Y276 WeakPolarHBondContact CZ-OH 3.36Å
153H94.2Very high97.1Very high18 Ų1840.4 Ų40.48%0.08318%0.177CC..THydrogen-bonded Turntrans-41.5-47.6-174.8174.566.9000115E155 H192 D194 C199H153-E155 VanDerWaalsContact C-N 3.33Å; H153-E155 PolarHBondContact O-N 3.32Å; H153-H192 HydrophobicContact CB-CB 4.27Å; H153-H192 AromaticContact CD2-CD2 3.27Å; H153-H192 PolarHBondContact CD2-CD2 2.88Å; H153-H192 AromaticContact CD2-CE1 3.67Å; H153-H192 AromaticContact CD2-CG 3.33Å; H153-H192 AromaticContact CD2-ND1 3.62Å; H153-H192 AromaticContact CD2-NE2 3.48Å; H153-H192 PolarHBondContact CD2-NE2 3.06Å; H153-H192 VanDerWaalsContact CE1-CB 3.43Å; H153-H192 WeakPolarHBondContact CE1-CB 3.35Å; H153-H192 AromaticContact CE1-CD2 3.83Å; H153-H192 AromaticContact CE1-CG 3.73Å; H153-H192 AromaticContact CG-CD2 3.86Å; H153-H192 AromaticContact CG-CG 3.41Å; H153-H192 VanDerWaalsContact CG-CG 3.41Å; H153-H192 AromaticContact CG-ND1 3.6Å; H153-H192 VanDerWaalsContact ND1-CB 3.28Å; H153-H192 WeakPolarHBondContact ND1-CB 2.96Å; H153-H192 AromaticContact ND1-CG 3.7Å; H153-H192 AromaticContact NE2-CD2 3.24Å; H153-H192 PolarHBondContact NE2-CD2 2.74Å; H153-H192 AromaticContact NE2-CG 3.53Å; H153-H192 AromaticContact NE2-NE2 3.85Å; H153-D194 IonicContact CD2-OD2 3.66Å; H153-D194 IonicContact CE1-OD1 3.65Å; H153-D194 PolarHBondContact CE1-OD1 2.87Å; H153-D194 VanDerWaalsContact CE1-OD1 3.29Å; H153-D194 IonicContact CE1-OD2 3.43Å; H153-D194 PolarHBondContact CE1-OD2 2.87Å; H153-D194 IonicContact NE2-OD1 3.22Å; H153-D194 PolarHBondContact NE2-OD1 2.87Å; H153-D194 IonicContact NE2-OD2 3.96Å; H153-D194 PolarHBondContact NE2-OD2 3.34Å; H153-C199 PolarHBondContact CE1-SG 3.13Å
154Y93.3Very high97.1Very high179 Ų17940.2 Ų40.270%0.70218%0.176SC*.THydrogen-bonded Turntrans-78.2-12.3-178-61.5-68.1000115.1F152 H192F152-Y154 VanDerWaalsContact C-N 3.25Å; F152-Y154 PolarHBondContact O-N 3.04Å; Y154-H192 AromaticContact CZ-NE2 3.62Å; Y154-H192 PolarHBondContact OH-NE2 2.79Å
155E95.4Very high97.1Very high93 Ų9341.9 Ų41.944%0.43518%0.184SC..THydrogen-bonded Turntrans-101.6-16.9176.7-64.6174.7-179.100112.2F152 H153 K160F152-E155 CarbonylContact O-C 3.54Å; F152-E155 WeakPolarHBondContact O-CA 3.28Å; F152-E155 PolarHBondContact O-N 3.4Å; H153-E155 VanDerWaalsContact C-N 3.33Å; H153-E155 PolarHBondContact O-N 3.32Å; E155-K160 WeakPolarHBondContact O-CE 3.4Å; E155-K160 PolarHBondContact O-NZ 3.2Å
156M96.3Very high97Very high20 Ų2050.1 Ų50.110%0.09922%0.219CC..  trans-64.7134.3178.7-178.5-178.158.400111.4I150 F152 V189 A190 I198I150-M156 HydrophobicContact CD1-CG 3.77Å; I150-M156 HydrophobicContact CD1-SD 3.55Å; I150-M156 VanDerWaalsContact CD1-SD 3.55Å; I150-M156 HydrophobicContact CG1-CG 4.27Å; I150-M156 WeakPolarHBondContact O-CA 3.28Å; F152-M156 PolarHBondContact O-N 3.42Å; M156-V189 HydrophobicContact SD-CG1 4.21Å; M156-A190 HydrophobicContact CE-CB 4.18Å; M156-A190 HydrophobicContact SD-CB 4.38Å; M156-I198 HydrophobicContact CE-CB 3.91Å; M156-I198 HydrophobicContact CE-CD1 4.1Å; M156-I198 HydrophobicContact CE-CG2 3.79Å; M156-I198 HydrophobicContact CG-CD1 3.91Å; M156-I198 HydrophobicContact SD-CD1 4.17Å; M156-I198 HydrophobicContact SD-CG2 3.9Å
157D96.4Very high97Very high56 Ų5652 Ų5230%0.29923%0.23SC..  trans-143.8169.5171.169.746.2000112.1F159 K160 L161D157-F159 VanDerWaalsContact C-N 3.3Å; D157-F159 PolarHBondContact O-N 2.96Å; D157-F159 WeakPolarHBondContact OD1-CA 3.11Å; D157-F159 WeakPolarHBondContact OD1-CB 3.29Å; D157-F159 PolarHBondContact OD1-N 3.03Å; D157-K160 PolarHBondContact O-N 3.44Å; D157-K160 WeakPolarHBondContact OD1-CG 3.5Å; D157-K160 PolarHBondContact OD1-N 2.85Å; D157-K160 IonicContact OD2-NZ 3.96Å; D157-K160 PolarHBondContact OD2-NZ 3.26Å; D157-L161 WeakPolarHBondContact O-CB 3.27Å; D157-L161 PolarHBondContact O-N 2.88Å
158W97.4Very high96.9Very high105 Ų10553.2 Ų53.240%0.39824%0.236SC..Hα-helixtrans-62.6-34.1-178.4-76.9112.9000113.2L161 Q162 I198W158-L161 HydrophobicContact CE3-CD2 4.1Å; W158-L161 HydrophobicContact CZ3-CD2 3.99Å; W158-Q162 HydrophobicContact CE3-CG 4.46Å; W158-Q162 WeakPolarHBondContact O-CB 3.18Å; W158-Q162 WeakPolarHBondContact O-CG 3.46Å; W158-Q162 PolarHBondContact O-N 3.08Å; W158-I198 HydrophobicContact CD2-CD1 4.14Å; W158-I198 HydrophobicContact CD2-CG1 3.71Å; W158-I198 VanDerWaalsContact CE2-CG1 3.42Å; W158-I198 HydrophobicContact CE3-CG1 4.11Å; W158-I198 HydrophobicContact CG-CD1 4.28Å; W158-I198 HydrophobicContact CG-CG1 4.24Å; W158-I198 HydrophobicContact CH2-CG1 4Å; W158-I198 HydrophobicContact CZ2-CB 4.32Å; W158-I198 HydrophobicContact CZ2-CG1 3.59Å; W158-I198 HydrophobicContact CZ3-CG1 4.24Å
159F97.3Very high96.8Very high118 Ų11858 Ų5852%0.51826%0.263SS..Hα-helixtrans-65.6-48179.1168.2-96.4000110.6D157 R163D157-F159 VanDerWaalsContact C-N 3.3Å; D157-F159 PolarHBondContact O-N 2.96Å; D157-F159 WeakPolarHBondContact OD1-CA 3.11Å; D157-F159 WeakPolarHBondContact OD1-CB 3.29Å; D157-F159 PolarHBondContact OD1-N 3.03Å; F159-R163 WeakPolarHBondContact O-CG 3.27Å; F159-R163 PolarHBondContact O-N 3.44Å
160K97.5Very high96.5Very high36 Ų3658.9 Ų58.916%0.15727%0.27CS..Hα-helixtrans-62.6-43.9178.4-63.2-179-172.992.50111.4K115 I150 E155 D157 R163 F164K115-K160 WeakPolarHBondContact O-CD 3.36Å; K115-K160 WeakPolarHBondContact O-CE 3.4Å; I150-K160 HydrophobicContact CB-CB 4.18Å; I150-K160 HydrophobicContact CG2-CB 4.39Å; I150-K160 WeakPolarHBondContact O-CD 3.21Å; E155-K160 WeakPolarHBondContact O-CE 3.4Å; E155-K160 PolarHBondContact O-NZ 3.2Å; D157-K160 PolarHBondContact O-N 3.44Å; D157-K160 WeakPolarHBondContact OD1-CG 3.5Å; D157-K160 PolarHBondContact OD1-N 2.85Å; D157-K160 IonicContact OD2-NZ 3.96Å; D157-K160 PolarHBondContact OD2-NZ 3.26Å; K160-R163 VanDerWaalsContact O-CG 3.26Å; K160-R163 WeakPolarHBondContact O-CG 3.27Å; K160-F164 PolarHBondContact O-N 3.4Å
161L97.8Very high96.3Very high1 Ų161.2 Ų61.21%0.00529%0.286CS..Hα-helixtrans-65.4-50.4178.1179.259.1000112.1I150 D157 W158 R163 F164 E165 S172 I198I150-L161 HydrophobicContact CD1-CD1 4.23Å; D157-L161 WeakPolarHBondContact O-CB 3.27Å; D157-L161 PolarHBondContact O-N 2.88Å; W158-L161 HydrophobicContact CE3-CD2 4.1Å; W158-L161 HydrophobicContact CZ3-CD2 3.99Å; L161-R163 PolarHBondContact O-N 3.32Å; L161-F164 WeakPolarHBondContact O-CB 3.45Å; L161-F164 PolarHBondContact O-N 3.33Å; L161-F164 VanDerWaalsContact O-N 3.15Å; L161-E165 HydrophobicContact CD1-CG 4.11Å; L161-E165 HydrophobicContact CG-CG 4.43Å; L161-E165 WeakPolarHBondContact O-CG 3.43Å; L161-E165 PolarHBondContact O-N 3.29Å; L161-S172 WeakPolarHBondContact CD2-OG 3.42Å; L161-I198 HydrophobicContact CD2-CD1 4.3Å; L161-I198 HydrophobicContact CD2-CG1 4.43Å; L161-I198 HydrophobicContact CD2-CG2 3.7Å
162Q97.7Very high96.1Very high110 Ų11061.8 Ų61.851%0.51429%0.29SS..Hα-helixtrans-66-37.3-176.5-73172.3-13.600112.7W158 F164 K166W158-Q162 HydrophobicContact CE3-CG 4.46Å; W158-Q162 WeakPolarHBondContact O-CB 3.18Å; W158-Q162 WeakPolarHBondContact O-CG 3.46Å; W158-Q162 PolarHBondContact O-N 3.08Å; Q162-F164 VanDerWaalsContact C-N 3.31Å; Q162-F164 PolarHBondContact O-N 3.45Å; Q162-K166 VanDerWaalsContact O-CB 3.23Å; Q162-K166 WeakPolarHBondContact O-CB 3.13Å; Q162-K166 PolarHBondContact O-N 3Å
163R97.1Very high96.1Very high23 Ų2360.8 Ų60.89%0.08729%0.286CS..Hα-helixtrans-66.3-36175.274176.9176.4-173.4-8.6111.6G114 S117 W122 F159 K160 L161 V167G114-R163 PolarHBondContact O-NH2 3.47Å; S117-R163 PolarHBondContact O-NH1 3.2Å; W122-R163 HydrophobicContact CH2-CG 4.47Å; W122-R163 HydrophobicContact CZ2-CG 4.01Å; F159-R163 WeakPolarHBondContact O-CG 3.27Å; F159-R163 PolarHBondContact O-N 3.44Å; K160-R163 VanDerWaalsContact O-CG 3.26Å; K160-R163 WeakPolarHBondContact O-CG 3.27Å; L161-R163 PolarHBondContact O-N 3.32Å; R163-V167 WeakPolarHBondContact O-CG2 3.34Å; R163-V167 PolarHBondContact O-N 3.13Å
164F98.2Very high96.2Very high2 Ų263 Ų631%0.00929%0.294CS..Hα-helixtrans-65.9-52.3175.9-179.1-82.6000110.2I110 W122 V143 L144 V145 D149 I150 K160 L161 Q162 K166 V167 F168I110-F164 HydrophobicContact CG1-CE2 4.14Å; I110-F164 HydrophobicContact CG1-CZ 4.26Å; W122-F164 HydrophobicContact CH2-CB 4.2Å; W122-F164 AromaticContact CH2-CD2 4Å; W122-F164 HydrophobicContact CH2-CD2 4Å; V143-F164 HydrophobicContact CG1-CZ 3.83Å; L144-F164 WeakPolarHBondContact O-CZ 3.38Å; V145-F164 HydrophobicContact CB-CD1 3.94Å; V145-F164 HydrophobicContact CB-CE1 3.57Å; V145-F164 HydrophobicContact CB-CZ 3.92Å; V145-F164 HydrophobicContact CG2-CD1 3.93Å; V145-F164 HydrophobicContact CG2-CD2 4.28Å; V145-F164 HydrophobicContact CG2-CE1 3.95Å; V145-F164 HydrophobicContact CG2-CE2 4.29Å; V145-F164 HydrophobicContact CG2-CG 4.12Å; V145-F164 HydrophobicContact CG2-CZ 4.13Å; D149-F164 HydrophobicContact CB-CD2 3.68Å; D149-F164 HydrophobicContact CB-CE2 3.61Å; D149-F164 VanDerWaalsContact CG-CE2 3.46Å; I150-F164 HydrophobicContact CG2-CB 4.08Å; I150-F164 HydrophobicContact CG2-CG 4.4Å; K160-F164 PolarHBondContact O-N 3.4Å; L161-F164 WeakPolarHBondContact O-CB 3.45Å; L161-F164 PolarHBondContact O-N 3.33Å; L161-F164 VanDerWaalsContact O-N 3.15Å; Q162-F164 VanDerWaalsContact C-N 3.31Å; Q162-F164 PolarHBondContact O-N 3.45Å; F164-K166 VanDerWaalsContact C-N 3.26Å; F164-K166 PolarHBondContact O-N 3.47Å; F164-V167 PolarHBondContact O-N 3.21Å; F164-V167 VanDerWaalsContact O-N 3.13Å; F164-F168 AromaticContact CD1-CD2 3.96Å; F164-F168 HydrophobicContact CD1-CD2 3.96Å; F164-F168 AromaticContact CD2-CD2 3.85Å; F164-F168 HydrophobicContact CD2-CD2 3.85Å; F164-F168 AromaticContact CD2-CE2 3.69Å; F164-F168 HydrophobicContact CD2-CE2 3.69Å; F164-F168 AromaticContact CE1-CD2 3.72Å; F164-F168 HydrophobicContact CE1-CD2 3.72Å; F164-F168 HydrophobicContact CE1-CE2 4.37Å; F164-F168 AromaticContact CE2-CD2 3.61Å; F164-F168 HydrophobicContact CE2-CD2 3.61Å; F164-F168 AromaticContact CE2-CE2 3.39Å; F164-F168 HydrophobicContact CE2-CE2 3.39Å; F164-F168 HydrophobicContact CE2-CZ 4.5Å; F164-F168 HydrophobicContact CG-CD2 4.01Å; F164-F168 HydrophobicContact CG-CE2 4.29Å; F164-F168 AromaticContact CZ-CD2 3.54Å; F164-F168 HydrophobicContact CZ-CD2 3.54Å; F164-F168 AromaticContact CZ-CE2 3.77Å; F164-F168 HydrophobicContact CZ-CE2 3.77Å; F164-F168 HydrophobicContact CZ-CG 4.48Å; F164-F168 WeakPolarHBondContact O-CD2 3.5Å; F164-F168 PolarHBondContact O-N 3.11Å; F164-F168 VanDerWaalsContact O-N 3.13Å
165E97.8Very high96.5Very high41 Ų4155.5 Ų55.519%0.19227%0.266CS..Hα-helixtrans-55.4-42177.8-74.8-179.416000111.8L161 N169 A170 S171 S172L161-E165 HydrophobicContact CD1-CG 4.11Å; L161-E165 HydrophobicContact CG-CG 4.43Å; L161-E165 WeakPolarHBondContact O-CG 3.43Å; L161-E165 PolarHBondContact O-N 3.29Å; E165-N169 CarbonylContact O-C 3.15Å; E165-N169 VanDerWaalsContact O-CA 3.27Å; E165-N169 WeakPolarHBondContact O-CA 3.36Å; E165-N169 PolarHBondContact O-N 3.44Å; E165-A170 WeakPolarHBondContact CB-O 3.45Å; E165-A170 PolarHBondContact O-N 3.25Å; E165-S171 WeakPolarHBondContact OE1-CA 3.46Å; E165-S172 PolarHBondContact OE1-N 2.85Å; E165-S172 PolarHBondContact OE1-OG 2.89Å
166K97.5Very high96.6Very high182 Ų18251.5 Ų51.579%0.79125%0.248SC*.Hα-helixtrans-62.3-43.2177.1-176.5179.3-179.9-178.90113.2Q162 F164Q162-K166 VanDerWaalsContact O-CB 3.23Å; Q162-K166 WeakPolarHBondContact O-CB 3.13Å; Q162-K166 PolarHBondContact O-N 3Å; F164-K166 VanDerWaalsContact C-N 3.26Å; F164-K166 PolarHBondContact O-N 3.47Å
167V97.3Very high96.7Very high40 Ų4053.6 Ų53.624%0.24226%0.262CS..Hα-helixtrans-67.5-42.2-178.5166.70000111.1W122 V126 R163 F164W122-V167 HydrophobicContact CZ2-CB 4.42Å; W122-V167 HydrophobicContact CZ2-CG2 3.92Å; V126-V167 HydrophobicContact CB-CG1 4.45Å; V126-V167 HydrophobicContact CG1-CG1 3.62Å; V126-V167 HydrophobicContact CG1-CG2 4.23Å; V126-V167 HydrophobicContact CG2-CG1 3.96Å; V126-V167 HydrophobicContact CG2-CG2 4.01Å; R163-V167 WeakPolarHBondContact O-CG2 3.34Å; R163-V167 PolarHBondContact O-N 3.13Å; F164-V167 PolarHBondContact O-N 3.21Å; F164-V167 VanDerWaalsContact O-N 3.13Å
168F97.1Very high96.6Very high25 Ų2552.9 Ų52.911%0.1126%0.256CS..Hα-helixtrans-97.94.2-172.7-62.8-64.3000114.2I110 F111 F129 V143 F164 A170I110-F168 HydrophobicContact CG2-CZ 4.14Å; F111-F168 AromaticContact CE2-CE2 3.86Å; F111-F168 HydrophobicContact CE2-CE2 3.86Å; F111-F168 AromaticContact CE2-CZ 3.78Å; F111-F168 HydrophobicContact CE2-CZ 3.78Å; F111-F168 HydrophobicContact CZ-CE2 4.38Å; F111-F168 AromaticContact CZ-CZ 3.86Å; F111-F168 HydrophobicContact CZ-CZ 3.86Å; F129-F168 AromaticContact CD1-CE1 3.64Å; F129-F168 HydrophobicContact CD1-CE1 3.64Å; F129-F168 HydrophobicContact CD1-CZ 4.28Å; F129-F168 HydrophobicContact CE1-CD1 4.18Å; F129-F168 AromaticContact CE1-CE1 3.43Å; F129-F168 HydrophobicContact CE1-CE1 3.43Å; F129-F168 VanDerWaalsContact CE1-CE1 3.43Å; F129-F168 HydrophobicContact CE1-CZ 4.37Å; F129-F168 HydrophobicContact CE2-CE1 4.37Å; F129-F168 HydrophobicContact CG-CE1 4.23Å; F129-F168 HydrophobicContact CG-CZ 4.47Å; F129-F168 AromaticContact CZ-CE1 3.8Å; F129-F168 HydrophobicContact CZ-CE1 3.8Å; V143-F168 HydrophobicContact CB-CB 4.14Å; V143-F168 HydrophobicContact CB-CD1 4Å; V143-F168 HydrophobicContact CB-CG 4Å; V143-F168 HydrophobicContact CG1-CD1 4.16Å; V143-F168 HydrophobicContact CG1-CD2 4.25Å; V143-F168 HydrophobicContact CG1-CE1 4.41Å; V143-F168 HydrophobicContact CG1-CE2 4.48Å; V143-F168 HydrophobicContact CG1-CG 4.08Å; V143-F168 HydrophobicContact CG2-CD1 3.78Å; V143-F168 HydrophobicContact CG2-CE1 4.25Å; V143-F168 HydrophobicContact CG2-CG 4.3Å; F164-F168 AromaticContact CD1-CD2 3.96Å; F164-F168 HydrophobicContact CD1-CD2 3.96Å; F164-F168 AromaticContact CD2-CD2 3.85Å; F164-F168 HydrophobicContact CD2-CD2 3.85Å; F164-F168 AromaticContact CD2-CE2 3.69Å; F164-F168 HydrophobicContact CD2-CE2 3.69Å; F164-F168 AromaticContact CE1-CD2 3.72Å; F164-F168 HydrophobicContact CE1-CD2 3.72Å; F164-F168 HydrophobicContact CE1-CE2 4.37Å; F164-F168 AromaticContact CE2-CD2 3.61Å; F164-F168 HydrophobicContact CE2-CD2 3.61Å; F164-F168 AromaticContact CE2-CE2 3.39Å; F164-F168 HydrophobicContact CE2-CE2 3.39Å; F164-F168 HydrophobicContact CE2-CZ 4.5Å; F164-F168 HydrophobicContact CG-CD2 4.01Å; F164-F168 HydrophobicContact CG-CE2 4.29Å; F164-F168 AromaticContact CZ-CD2 3.54Å; F164-F168 HydrophobicContact CZ-CD2 3.54Å; F164-F168 AromaticContact CZ-CE2 3.77Å; F164-F168 HydrophobicContact CZ-CE2 3.77Å; F164-F168 HydrophobicContact CZ-CG 4.48Å; F164-F168 WeakPolarHBondContact O-CD2 3.5Å; F164-F168 PolarHBondContact O-N 3.11Å; F164-F168 VanDerWaalsContact O-N 3.13Å; F168-A170 HydrophobicContact CB-CB 4.09Å; F168-A170 PolarHBondContact O-N 3.01Å
169N95Very high96.5Very high138 Ų13852.4 Ų52.474%0.73826%0.257SS*.THydrogen-bonded Turntrans45.744.8-168.9-170.938.8000111E165E165-N169 CarbonylContact O-C 3.15Å; E165-N169 VanDerWaalsContact O-CA 3.27Å; E165-N169 WeakPolarHBondContact O-CA 3.36Å; E165-N169 PolarHBondContact O-N 3.44Å
170A92.4Very high96.4Very high18 Ų1848 Ų4815%0.14924%0.244CC..  trans-100.8166-176.700000110.1E165 F168E165-A170 WeakPolarHBondContact CB-O 3.45Å; E165-A170 PolarHBondContact O-N 3.25Å; F168-A170 HydrophobicContact CB-CB 4.09Å; F168-A170 PolarHBondContact O-N 3.01Å
171S93.6Very high96.4Very high49 Ų4946.2 Ų46.234%0.34324%0.237SC..  trans-134.3155.9165.661.30000107.6E165 T173 R174E165-S171 WeakPolarHBondContact OE1-CA 3.46Å; S171-T173 PolarHBondContact O-N 2.86Å; S171-T173 PolarHBondContact OG-O 3.17Å; S171-R174 VanDerWaalsContact OG-CB 3.29Å; S171-R174 WeakPolarHBondContact OG-CB 3.23Å; S171-R174 WeakPolarHBondContact OG-CD 3.15Å; S171-R174 WeakPolarHBondContact OG-CG 3.45Å
172S93.5Very high96.4Very high13 Ų1346.2 Ų46.29%0.09124%0.237CC..SBendtrans-55.5-36.5179.9-67.60000112.2L161 E165 N187L161-S172 WeakPolarHBondContact CD2-OG 3.42Å; E165-S172 PolarHBondContact OE1-N 2.85Å; E165-S172 PolarHBondContact OE1-OG 2.89Å; S172-N187 WeakPolarHBondContact O-CA 3.48Å; S172-N187 WeakPolarHBondContact O-CB 3.39Å; S172-N187 PolarHBondContact O-N 2.91Å
173T95.8Very high96.4Very high9 Ų941.1 Ų41.16%0.05521%0.213CC..EExtended strand (participates in β ladder)trans-142143167.367.40000110.6S171 L185 V202 D205 L206S171-T173 PolarHBondContact O-N 2.86Å; S171-T173 PolarHBondContact OG-O 3.17Å; T173-L185 VanDerWaalsContact CA-O 3.3Å; T173-L185 WeakPolarHBondContact CA-O 2.9Å; T173-V202 HydrophobicContact CG2-CG1 3.75Å; T173-D205 VanDerWaalsContact OG1-CB 3.31Å; T173-D205 WeakPolarHBondContact OG1-CB 3.43Å; T173-L206 HydrophobicContact CG2-CD1 4.38Å; T173-L206 HydrophobicContact CG2-CD2 3.65Å; T173-L206 HydrophobicContact CG2-CG 3.83Å
174R96.9Very high96.5Very high66 Ų6640 Ų4025%0.24921%0.209CC..EExtended strand (participates in β ladder)trans-166165.917458.1179.3-171.1128.3-3.5111.9S171 L185S171-R174 VanDerWaalsContact OG-CB 3.29Å; S171-R174 WeakPolarHBondContact OG-CB 3.23Å; S171-R174 WeakPolarHBondContact OG-CD 3.15Å; S171-R174 WeakPolarHBondContact OG-CG 3.45Å; R174-L185 HydrophobicContact CG-CB 4.37Å; R174-L185 PolarHBondContact N-O 3.13Å; R174-L185 PolarHBondContact O-N 3.34Å
175I98.1Very high96.5Very high21 Ų2140.2 Ų40.211%0.10821%0.21CC..EExtended strand (participates in β ladder)trans-107.5125.5170-63.1170.9000109.3N182 F183 L184 L209 L213 Y236I175-N182 HydrophobicContact CG2-CB 3.98Å; I175-F183 CarbonylContact C-O 3.59Å; I175-F183 WeakPolarHBondContact CA-O 3.22Å; I175-L184 HydrophobicContact CG1-CD1 3.9Å; I175-L209 HydrophobicContact CD1-CB 4.38Å; I175-L209 HydrophobicContact CD1-CD2 4Å; I175-L209 HydrophobicContact CG1-CD1 4.48Å; I175-L209 HydrophobicContact CG1-CD2 4.22Å; I175-L213 HydrophobicContact CD1-CD1 3.66Å; I175-L213 HydrophobicContact CD1-CD2 3.97Å; I175-L213 HydrophobicContact CD1-CG 3.72Å; I175-Y236 HydrophobicContact CB-CD1 4.34Å; I175-Y236 HydrophobicContact CB-CE1 3.74Å; I175-Y236 HydrophobicContact CD1-CD1 4.28Å; I175-Y236 HydrophobicContact CD1-CD2 4.3Å; I175-Y236 HydrophobicContact CD1-CE1 3.97Å; I175-Y236 HydrophobicContact CD1-CE2 3.98Å; I175-Y236 HydrophobicContact CD1-CG 4.44Å; I175-Y236 HydrophobicContact CG1-CE1 4.44Å; I175-Y236 HydrophobicContact CG2-CD1 3.9Å; I175-Y236 HydrophobicContact CG2-CE1 3.79Å
176V97.8Very high96.6Very high9 Ų938.3 Ų38.36%0.05520%0.201CC..EExtended strand (participates in β ladder)trans-98.1123.6167.1175.90000108I103 V142 F183 L185I103-V176 HydrophobicContact CD1-CG1 4.03Å; V142-V176 HydrophobicContact CG1-CG2 4.48Å; V142-V176 HydrophobicContact CG2-CG2 4.48Å; V176-F183 HydrophobicContact CB-CB 4.38Å; V176-F183 PolarHBondContact N-O 2.86Å; V176-F183 PolarHBondContact O-N 3.04Å; V176-L185 HydrophobicContact CB-CD1 4.32Å; V176-L185 HydrophobicContact CG2-CD1 3.89Å
177T97.5Very high96.6Very high63 Ų6329.8 Ų29.839%0.38716%0.164SC..EExtended strand (participates in β ladder)trans-109.5125-178.9-59.20000110.7V181 N182 P237T177-V181 VanDerWaalsContact CA-O 3.31Å; T177-V181 WeakPolarHBondContact CA-O 3.34Å; T177-N182 PolarHBondContact OG1-OD1 3.42Å; T177-P237 HydrophobicContact CG2-CG 3.55Å
178K96.4Very high96.7Very high41 Ų4128 Ų2818%0.17815%0.153CC..EExtended strand (participates in β ladder)trans-140.5127.6177.7-163.9162.2-162.5149.10110.8V60 E102 I103 E140 G180 V181 F183V60-K178 HydrophobicContact CG1-CD 4.15Å; V60-K178 HydrophobicContact CG1-CG 4.35Å; V60-K178 HydrophobicContact CG2-CB 4.11Å; V60-K178 HydrophobicContact CG2-CG 4.12Å; V60-K178 VanDerWaalsContact CG2-O 3.31Å; V60-K178 WeakPolarHBondContact CG2-O 3.02Å; E102-K178 PolarHBondContact O-NZ 3.28Å; I103-K178 HydrophobicContact CB-CD 4.26Å; I103-K178 HydrophobicContact CD1-CD 4.43Å; I103-K178 HydrophobicContact CG2-CD 4.46Å; E140-K178 IonicContact OE2-NZ 3.02Å; E140-K178 PolarHBondContact OE2-NZ 2.92Å; K178-G180 PolarHBondContact O-N 3.15Å; K178-G180 VanDerWaalsContact O-N 3.13Å; K178-V181 PolarHBondContact N-O 3.13Å; K178-V181 WeakPolarHBondContact O-CB 3.45Å; K178-V181 PolarHBondContact O-N 3.2Å; K178-F183 HydrophobicContact CB-CE2 4.43Å
179K95.1Very high96.7Very high95 Ų9527 Ų2741%0.41315%0.149SC..THydrogen-bonded Turntrans46.541.2-177-60.2-179.8172.8172.60113.8D57 A59 V60 E102 V181D57-K179 PolarHBondContact O-NZ 2.89Å; A59-K179 PolarHBondContact O-NZ 3.09Å; A59-K179 VanDerWaalsContact O-NZ 3.14Å; V60-K179 HydrophobicContact CG2-CB 3.77Å; V60-K179 HydrophobicContact CG2-CD 4.05Å; V60-K179 HydrophobicContact CG2-CG 4.13Å; E102-K179 IonicContact OE1-NZ 2.92Å; E102-K179 PolarHBondContact OE1-NZ 3.29Å; E102-K179 WeakPolarHBondContact OE2-CE 3.37Å; E102-K179 IonicContact OE2-NZ 2.8Å; E102-K179 PolarHBondContact OE2-NZ 3.49Å; K179-V181 VanDerWaalsContact C-N 3.26Å; K179-V181 PolarHBondContact O-N 2.89Å
180G94.4Very high96.8Very high25 Ų2520.5 Ų20.526%0.25811%0.114SC..THydrogen-bonded Turntrans75.77-179.300000115.3K178 P237 T239K178-G180 PolarHBondContact O-N 3.15Å; K178-G180 VanDerWaalsContact O-N 3.13Å; G180-P237 WeakPolarHBondContact O-CB 3.34Å; G180-T239 PolarHBondContact O-OG1 2.85Å
181V97Very high97.1Very high0 Ų020.6 Ų20.60%011%0.112CC..EExtended strand (participates in β ladder)trans-97.3130173.4179.10000109.8V60 T177 K178 K179 F183 I242 V336 S337V60-V181 HydrophobicContact CG2-CB 4.39Å; V60-V181 HydrophobicContact CG2-CG2 4.13Å; T177-V181 VanDerWaalsContact CA-O 3.31Å; T177-V181 WeakPolarHBondContact CA-O 3.34Å; K178-V181 PolarHBondContact N-O 3.13Å; K178-V181 WeakPolarHBondContact O-CB 3.45Å; K178-V181 PolarHBondContact O-N 3.2Å; K179-V181 VanDerWaalsContact C-N 3.26Å; K179-V181 PolarHBondContact O-N 2.89Å; V181-F183 HydrophobicContact CB-CE2 3.93Å; V181-F183 HydrophobicContact CB-CZ 4.3Å; V181-F183 HydrophobicContact CG1-CD2 4.05Å; V181-F183 HydrophobicContact CG1-CE1 4.13Å; V181-F183 HydrophobicContact CG1-CE2 3.52Å; V181-F183 HydrophobicContact CG1-CZ 3.56Å; V181-I242 HydrophobicContact CG1-CG1 4.26Å; V181-V336 HydrophobicContact CB-CG1 4.44Å; V181-V336 HydrophobicContact CG1-CB 4.46Å; V181-V336 HydrophobicContact CG1-CG1 3.57Å; V181-V336 HydrophobicContact CG2-CG1 4.01Å; V181-S337 VanDerWaalsContact CG2-C 3.47Å
182N98.1Very high97.2Very high0 Ų019.2 Ų19.20%010%0.1CC..EExtended strand (participates in β ladder)trans-92.9122.8172.6-59.2-34.1000110.5I175 T177 P237 T239 P241 I242I175-N182 HydrophobicContact CG2-CB 3.98Å; T177-N182 PolarHBondContact OG1-OD1 3.42Å; N182-P237 PolarHBondContact ND2-O 2.99Å; N182-P237 WeakPolarHBondContact OD1-CD 3.2Å; N182-T239 PolarHBondContact ND2-O 2.82Å; N182-T239 VanDerWaalsContact ND2-O 3.13Å; N182-T239 PolarHBondContact ND2-OG1 3.12Å; N182-P241 HydrophobicContact CB-CB 4.22Å; N182-P241 CarbonylContact O-C 3.58Å; N182-P241 VanDerWaalsContact O-CA 3.3Å; N182-P241 WeakPolarHBondContact O-CA 3.49Å; N182-I242 PolarHBondContact O-N 3.33Å
183F98.7Very high97.2Very high4 Ų421.6 Ų21.62%0.01813%0.127CC..EExtended strand (participates in β ladder)trans-107110.6169.3-60.9-87.8000108.5V60 F105 I175 V176 K178 V181 L185 I242 L244 V336V60-F183 HydrophobicContact CB-CZ 4.5Å; V60-F183 HydrophobicContact CG1-CE2 4.36Å; V60-F183 HydrophobicContact CG1-CZ 4.21Å; F105-F183 HydrophobicContact CE1-CB 4.32Å; F105-F183 HydrophobicContact CE1-CG 4.49Å; F105-F183 AromaticContact CE2-CD1 3.79Å; F105-F183 HydrophobicContact CE2-CD1 3.79Å; F105-F183 AromaticContact CE2-CE1 3.92Å; F105-F183 HydrophobicContact CE2-CE1 3.92Å; F105-F183 HydrophobicContact CE2-CG 4.13Å; F105-F183 HydrophobicContact CE2-CZ 4.35Å; F105-F183 HydrophobicContact CZ-CB 3.88Å; F105-F183 AromaticContact CZ-CD1 3.72Å; F105-F183 HydrophobicContact CZ-CD1 3.72Å; F105-F183 AromaticContact CZ-CD2 4Å; F105-F183 HydrophobicContact CZ-CD2 4Å; F105-F183 HydrophobicContact CZ-CE1 4.23Å; F105-F183 HydrophobicContact CZ-CE2 4.47Å; F105-F183 AromaticContact CZ-CG 3.59Å; F105-F183 HydrophobicContact CZ-CG 3.59Å; I175-F183 CarbonylContact C-O 3.59Å; I175-F183 WeakPolarHBondContact CA-O 3.22Å; V176-F183 HydrophobicContact CB-CB 4.38Å; V176-F183 PolarHBondContact N-O 2.86Å; V176-F183 PolarHBondContact O-N 3.04Å; K178-F183 HydrophobicContact CB-CE2 4.43Å; V181-F183 HydrophobicContact CB-CE2 3.93Å; V181-F183 HydrophobicContact CB-CZ 4.3Å; V181-F183 HydrophobicContact CG1-CD2 4.05Å; V181-F183 HydrophobicContact CG1-CE1 4.13Å; V181-F183 HydrophobicContact CG1-CE2 3.52Å; V181-F183 HydrophobicContact CG1-CZ 3.56Å; F183-L185 HydrophobicContact CB-CD1 4.43Å; F183-L185 WeakPolarHBondContact O-CD1 3.42Å; F183-I242 CarbonylContact C-O 3.52Å; F183-I242 WeakPolarHBondContact CA-O 3.45Å; F183-I242 HydrophobicContact CD1-CB 3.8Å; F183-I242 HydrophobicContact CD1-CG1 4.19Å; F183-I242 HydrophobicContact CD1-CG2 4.16Å; F183-I242 HydrophobicContact CE1-CB 4.15Å; F183-I242 HydrophobicContact CE1-CG1 4.07Å; F183-I242 HydrophobicContact CE1-CG2 4.42Å; F183-L244 HydrophobicContact CB-CD1 4.18Å; F183-L244 HydrophobicContact CD1-CD1 4.29Å; F183-V336 HydrophobicContact CE1-CG2 4.44Å; F183-V336 HydrophobicContact CZ-CB 4.35Å; F183-V336 HydrophobicContact CZ-CG1 4.45Å; F183-V336 HydrophobicContact CZ-CG2 4.47Å
184L98.8Very high97.1Very high0 Ų025 Ų250%015%0.145CC..EExtended strand (participates in β ladder)trans-88.7118.4178173.167.3000109.2I175 V186 L209 P241 I242 M243 L244 F291I175-L184 HydrophobicContact CG1-CD1 3.9Å; L184-V186 HydrophobicContact CD2-CG2 4.12Å; L184-V186 HydrophobicContact CG-CG2 3.91Å; L184-L209 HydrophobicContact CD1-CD1 4.08Å; L184-P241 HydrophobicContact CB-CB 3.93Å; L184-P241 HydrophobicContact CB-CG 4.41Å; L184-I242 PolarHBondContact N-O 2.85Å; L184-M243 HydrophobicContact CD2-CE 3.86Å; L184-M243 HydrophobicContact CD2-CG 4.31Å; L184-L244 PolarHBondContact O-N 3.42Å; L184-F291 HydrophobicContact CD1-CE1 4.2Å; L184-F291 HydrophobicContact CD1-CZ 4.33Å; L184-F291 HydrophobicContact CD2-CB 4.13Å; L184-F291 HydrophobicContact CD2-CD1 3.47Å; L184-F291 VanDerWaalsContact CD2-CD1 3.47Å; L184-F291 HydrophobicContact CD2-CD2 3.62Å; L184-F291 HydrophobicContact CD2-CE1 3.62Å; L184-F291 HydrophobicContact CD2-CE2 3.78Å; L184-F291 HydrophobicContact CD2-CG 3.45Å; L184-F291 VanDerWaalsContact CD2-CG 3.45Å; L184-F291 HydrophobicContact CD2-CZ 3.77Å
185L98.7Very high97Very high5 Ų523.5 Ų23.53%0.02615%0.15CC..EExtended strand (participates in β ladder)trans-97129.6175.4-74.275.4000109.9F105 V142 L144 T173 R174 V176 F183 L244F105-L185 HydrophobicContact CE1-CD1 4.45Å; V142-L185 HydrophobicContact CG1-CD1 4.49Å; V142-L185 HydrophobicContact CG1-CD2 3.36Å; V142-L185 HydrophobicContact CG1-CG 4.45Å; L144-L185 HydrophobicContact CD1-CD2 3.64Å; L144-L185 HydrophobicContact CD1-CG 3.9Å; L144-L185 HydrophobicContact CD2-CB 4.24Å; L144-L185 HydrophobicContact CD2-CG 4.22Å; L144-L185 HydrophobicContact CG-CB 4.29Å; L144-L185 HydrophobicContact CG-CD2 3.84Å; L144-L185 HydrophobicContact CG-CG 4.02Å; T173-L185 VanDerWaalsContact CA-O 3.3Å; T173-L185 WeakPolarHBondContact CA-O 2.9Å; R174-L185 HydrophobicContact CG-CB 4.37Å; R174-L185 PolarHBondContact N-O 3.13Å; R174-L185 PolarHBondContact O-N 3.34Å; V176-L185 HydrophobicContact CB-CD1 4.32Å; V176-L185 HydrophobicContact CG2-CD1 3.89Å; F183-L185 HydrophobicContact CB-CD1 4.43Å; F183-L185 WeakPolarHBondContact O-CD1 3.42Å; L185-L244 HydrophobicContact CD1-CD1 4.35Å
186V98.7Very high96.9Very high2 Ų223.6 Ų23.61%0.01215%0.152CC..EExtended strand (participates in β ladder)trans-125120.4-177.5-173.70000110.6L184 S188 L191 L206 M243 L244 Q245 L287L184-V186 HydrophobicContact CD2-CG2 4.12Å; L184-V186 HydrophobicContact CG-CG2 3.91Å; V186-S188 VanDerWaalsContact C-N 3.3Å; V186-S188 PolarHBondContact O-N 3.04Å; V186-L191 HydrophobicContact CG1-CD1 3.8Å; V186-L206 HydrophobicContact CG1-CD1 4.23Å; V186-L206 HydrophobicContact CG1-CD2 4.32Å; V186-L206 HydrophobicContact CG2-CD2 4.15Å; V186-M243 HydrophobicContact CG2-CG 4.09Å; V186-L244 PolarHBondContact N-O 3.23Å; V186-Q245 HydrophobicContact CB-CB 4.13Å; V186-L287 HydrophobicContact CG1-CD2 4.36Å
187N98.3Very high96.9Very high2 Ų227.6 Ų27.61%0.01118%0.178CC..  trans-71.488.4164.5178.21.3000109.1V145 S172 V189 A190V145-N187 HydrophobicContact CG1-CB 3.81Å; V145-N187 WeakPolarHBondContact CG1-OD1 3.12Å; S172-N187 WeakPolarHBondContact O-CA 3.48Å; S172-N187 WeakPolarHBondContact O-CB 3.39Å; S172-N187 PolarHBondContact O-N 2.91Å; N187-V189 VanDerWaalsContact C-N 3.26Å; N187-V189 PolarHBondContact O-N 3.17Å; N187-V189 WeakPolarHBondContact OD1-CB 3.35Å; N187-V189 PolarHBondContact OD1-N 3.43Å; N187-A190 PolarHBondContact O-N 2.74Å; N187-A190 PolarHBondContact OD1-N 3.48Å
188S98.3Very high96.9Very high2 Ų225 Ų251%0.01416%0.162CC..G310 helixtrans-69.8-20.6-179.556.60000113.7V186 A190 L191 H246 Y247 L279V186-S188 VanDerWaalsContact C-N 3.3Å; V186-S188 PolarHBondContact O-N 3.04Å; S188-A190 PolarHBondContact O-N 3.15Å; S188-L191 PolarHBondContact O-N 2.01Å; S188-H246 PolarHBondContact OG-N 3.18Å; S188-Y247 PolarHBondContact OG-N 2.76Å; S188-L279 WeakPolarHBondContact O-CD2 3.37Å
189V97.9Very high97Very high5 Ų523.2 Ų23.23%0.0316%0.155CC..G310 helixtrans-63.5-30.4175.8-174.70000110.7N147 I150 G151 M156 N187 L191N147-V189 HydrophobicContact CB-CG2 4.29Å; I150-V189 HydrophobicContact CD1-CB 4.31Å; I150-V189 HydrophobicContact CD1-CG1 4.25Å; I150-V189 HydrophobicContact CG1-CG1 4.44Å; G151-V189 WeakPolarHBondContact O-CG1 3.41Å; M156-V189 HydrophobicContact SD-CG1 4.21Å; N187-V189 VanDerWaalsContact C-N 3.26Å; N187-V189 PolarHBondContact O-N 3.17Å; N187-V189 WeakPolarHBondContact OD1-CB 3.35Å; N187-V189 PolarHBondContact OD1-N 3.43Å; V189-L191 VanDerWaalsContact C-N 3.32Å; V189-L191 PolarHBondContact O-N 2.84Å
190A97.8Very high97.1Very high1 Ų124.2 Ų24.21%0.00816%0.161CC..G310 helixtrans-87.913.317900000114.4M156 N187 S188 I198 C199 V202M156-A190 HydrophobicContact CE-CB 4.18Å; M156-A190 HydrophobicContact SD-CB 4.38Å; N187-A190 PolarHBondContact O-N 2.74Å; N187-A190 PolarHBondContact OD1-N 3.48Å; S188-A190 PolarHBondContact O-N 3.15Å; A190-I198 HydrophobicContact CB-CG2 3.99Å; A190-C199 VanDerWaalsContact O-CA 3.27Å; A190-C199 WeakPolarHBondContact O-CA 3.44Å; A190-C199 VanDerWaalsContact O-CB 3.27Å; A190-C199 WeakPolarHBondContact O-CB 3.23Å; A190-V202 HydrophobicContact CB-CB 4.02Å; A190-V202 HydrophobicContact CB-CG1 4.16Å; A190-V202 HydrophobicContact CB-CG2 3.71Å
191L97.6Very high97.2Very high20 Ų2025.3 Ų25.311%0.10516%0.164CC..  trans-105.138.3-179.9-63.2-177.5000113.3V186 S188 V189 V202 L206 L279 A283 L287V186-L191 HydrophobicContact CG1-CD1 3.8Å; S188-L191 PolarHBondContact O-N 2.01Å; V189-L191 VanDerWaalsContact C-N 3.32Å; V189-L191 PolarHBondContact O-N 2.84Å; L191-V202 HydrophobicContact CD2-CG1 4.07Å; L191-L206 HydrophobicContact CD2-CD1 3.89Å; L191-L279 HydrophobicContact CB-CD2 3.75Å; L191-L279 HydrophobicContact CD1-CD1 4.01Å; L191-L279 HydrophobicContact CD1-CD2 4.22Å; L191-A283 HydrophobicContact CB-CB 4.31Å; L191-L287 HydrophobicContact CD1-CD1 3.8Å; L191-L287 HydrophobicContact CD1-CD2 4.32Å; L191-L287 HydrophobicContact CD1-CG 4.33Å
192H95.4Very high97.3Very high20 Ų2025.3 Ų25.39%0.09317%0.165CC..  trans-72.5-25.7-178.7-165.278.3000114.3H153 Y154 D194 K275H153-H192 HydrophobicContact CB-CB 4.27Å; H153-H192 AromaticContact CD2-CD2 3.27Å; H153-H192 PolarHBondContact CD2-CD2 2.88Å; H153-H192 AromaticContact CD2-CE1 3.67Å; H153-H192 AromaticContact CD2-CG 3.33Å; H153-H192 AromaticContact CD2-ND1 3.62Å; H153-H192 AromaticContact CD2-NE2 3.48Å; H153-H192 PolarHBondContact CD2-NE2 3.06Å; H153-H192 VanDerWaalsContact CE1-CB 3.43Å; H153-H192 WeakPolarHBondContact CE1-CB 3.35Å; H153-H192 AromaticContact CE1-CD2 3.83Å; H153-H192 AromaticContact CE1-CG 3.73Å; H153-H192 AromaticContact CG-CD2 3.86Å; H153-H192 AromaticContact CG-CG 3.41Å; H153-H192 VanDerWaalsContact CG-CG 3.41Å; H153-H192 AromaticContact CG-ND1 3.6Å; H153-H192 VanDerWaalsContact ND1-CB 3.28Å; H153-H192 WeakPolarHBondContact ND1-CB 2.96Å; H153-H192 AromaticContact ND1-CG 3.7Å; H153-H192 AromaticContact NE2-CD2 3.24Å; H153-H192 PolarHBondContact NE2-CD2 2.74Å; H153-H192 AromaticContact NE2-CG 3.53Å; H153-H192 AromaticContact NE2-NE2 3.85Å; Y154-H192 AromaticContact CZ-NE2 3.62Å; Y154-H192 PolarHBondContact OH-NE2 2.79Å; H192-D194 IonicContact CD2-OD1 3.76Å; H192-D194 IonicContact CD2-OD2 3.49Å; H192-K275 WeakPolarHBondContact ND1-CB 3.37Å; H192-K275 WeakPolarHBondContact O-CD 3.31Å; H192-K275 VanDerWaalsContact O-CE 3.27Å; H192-K275 WeakPolarHBondContact O-CE 3.49Å; H192-K275 PolarHBondContact O-NZ 3.13Å
193G93.8Very high97.3Very high63 Ų6328 Ų2865%0.64918%0.177SC*.SBendtrans78.718.817600000115.7
194D95Very high97.3Very high82 Ų8235.1 Ų35.144%0.43921%0.208SC..SBendtrans-99.31.8175.969-11000114H153 H192 C196H153-D194 IonicContact CD2-OD2 3.66Å; H153-D194 IonicContact CE1-OD1 3.65Å; H153-D194 PolarHBondContact CE1-OD1 2.87Å; H153-D194 VanDerWaalsContact CE1-OD1 3.29Å; H153-D194 IonicContact CE1-OD2 3.43Å; H153-D194 PolarHBondContact CE1-OD2 2.87Å; H153-D194 IonicContact NE2-OD1 3.22Å; H153-D194 PolarHBondContact NE2-OD1 2.87Å; H153-D194 IonicContact NE2-OD2 3.96Å; H153-D194 PolarHBondContact NE2-OD2 3.34Å; H192-D194 IonicContact CD2-OD1 3.76Å; H192-D194 IonicContact CD2-OD2 3.49Å; D194-C196 WeakPolarHBondContact OD1-CB 3.41Å; D194-C196 PolarHBondContact OD1-N 3.41Å; D194-C196 VanDerWaalsContact OD1-N 3.07Å
195G93.7Very high97.2Very high33 Ų3338.2 Ų38.234%0.3422%0.224SC..  trans74.725.6-179.800000114.2Q200G195-Q200 VanDerWaalsContact O-CD 3.3Å; G195-Q200 WeakPolarHBondContact O-CG 3.25Å; G195-Q200 PolarHBondContact O-NE2 3.34Å
196C96.3Very high97.2Very high24 Ų2438 Ų3816%0.16222%0.223CC..  trans-55.1151.2170.493.50000111.9D194 I198 C199 Q200D194-C196 WeakPolarHBondContact OD1-CB 3.41Å; D194-C196 PolarHBondContact OD1-N 3.41Å; D194-C196 VanDerWaalsContact OD1-N 3.07Å; C196-I198 VanDerWaalsContact C-N 3.33Å; C196-I198 PolarHBondContact O-N 2.8Å; C196-C199 HydrophobicContact CB-CB 4.05Å; C196-C199 WeakPolarHBondContact CB-SG 3.46Å; C196-C199 WeakPolarHBondContact O-CA 3.41Å; C196-C199 VanDerWaalsContact O-CB 3.27Å; C196-C199 WeakPolarHBondContact O-CB 3.15Å; C196-C199 PolarHBondContact O-N 3.07Å; C196-C199 WeakPolarHBondContact SG-CB 3.32Å; C196-C199 PolarHBondContact SG-N 2.86Å; C196-C199 CovalentContact SG-SG 2.06Å; C196-C199 PolarHBondContact SG-SG 3.07Å; C196-Q200 WeakPolarHBondContact O-CG 3.45Å; C196-Q200 PolarHBondContact O-N 2.93Å
197P97.1Very high97.1Very high92 Ų9242 Ų4260%0.59724%0.244SC*.Hα-helixtrans-57.5-40.2-175.4-28.135.6000114.6S201P197-S201 PolarHBondContact O-N 3.47Å; P197-S201 VanDerWaalsContact O-N 3.15Å
198I97.9Very high97.1Very high8 Ų847.3 Ų47.34%0.04127%0.267CS..Hα-helixtrans-66.5-44.3175.1-64.6169.6000109.9M156 W158 L161 A190 C196 Q200 S201 V202M156-I198 HydrophobicContact CE-CB 3.91Å; M156-I198 HydrophobicContact CE-CD1 4.1Å; M156-I198 HydrophobicContact CE-CG2 3.79Å; M156-I198 HydrophobicContact CG-CD1 3.91Å; M156-I198 HydrophobicContact SD-CD1 4.17Å; M156-I198 HydrophobicContact SD-CG2 3.9Å; W158-I198 HydrophobicContact CD2-CD1 4.14Å; W158-I198 HydrophobicContact CD2-CG1 3.71Å; W158-I198 VanDerWaalsContact CE2-CG1 3.42Å; W158-I198 HydrophobicContact CE3-CG1 4.11Å; W158-I198 HydrophobicContact CG-CD1 4.28Å; W158-I198 HydrophobicContact CG-CG1 4.24Å; W158-I198 HydrophobicContact CH2-CG1 4Å; W158-I198 HydrophobicContact CZ2-CB 4.32Å; W158-I198 HydrophobicContact CZ2-CG1 3.59Å; W158-I198 HydrophobicContact CZ3-CG1 4.24Å; L161-I198 HydrophobicContact CD2-CD1 4.3Å; L161-I198 HydrophobicContact CD2-CG1 4.43Å; L161-I198 HydrophobicContact CD2-CG2 3.7Å; A190-I198 HydrophobicContact CB-CG2 3.99Å; C196-I198 VanDerWaalsContact C-N 3.33Å; C196-I198 PolarHBondContact O-N 2.8Å; I198-Q200 PolarHBondContact O-N 2.72Å; I198-S201 WeakPolarHBondContact O-CB 3.39Å; I198-S201 PolarHBondContact O-N 2.91Å; I198-V202 HydrophobicContact CG2-CG2 4.4Å; I198-V202 WeakPolarHBondContact O-CG2 3.12Å; I198-V202 PolarHBondContact O-N 2.83Å
199C97.7Very high97.1Very high5 Ų548 Ų483%0.03427%0.271CS..Hα-helixtrans-58.6-46.4179.3-50.10000111.7H153 A190 C196 V202 E203H153-C199 PolarHBondContact CE1-SG 3.13Å; A190-C199 VanDerWaalsContact O-CA 3.27Å; A190-C199 WeakPolarHBondContact O-CA 3.44Å; A190-C199 VanDerWaalsContact O-CB 3.27Å; A190-C199 WeakPolarHBondContact O-CB 3.23Å; C196-C199 HydrophobicContact CB-CB 4.05Å; C196-C199 WeakPolarHBondContact CB-SG 3.46Å; C196-C199 WeakPolarHBondContact O-CA 3.41Å; C196-C199 VanDerWaalsContact O-CB 3.27Å; C196-C199 WeakPolarHBondContact O-CB 3.15Å; C196-C199 PolarHBondContact O-N 3.07Å; C196-C199 WeakPolarHBondContact SG-CB 3.32Å; C196-C199 PolarHBondContact SG-N 2.86Å; C196-C199 CovalentContact SG-SG 2.06Å; C196-C199 PolarHBondContact SG-SG 3.07Å; C199-V202 PolarHBondContact O-N 3.4Å; C199-E203 WeakPolarHBondContact O-CB 3.34Å; C199-E203 PolarHBondContact O-N 3.1Å
200Q97.6Very high97Very high115 Ų11548.2 Ų48.254%0.53727%0.272SS..Hα-helixtrans-63.4-41176.7-69.6-179-0.300111.9G195 C196 I198 K204G195-Q200 VanDerWaalsContact O-CD 3.3Å; G195-Q200 WeakPolarHBondContact O-CG 3.25Å; G195-Q200 PolarHBondContact O-NE2 3.34Å; C196-Q200 WeakPolarHBondContact O-CG 3.45Å; C196-Q200 PolarHBondContact O-N 2.93Å; I198-Q200 PolarHBondContact O-N 2.72Å; Q200-K204 VanDerWaalsContact O-CB 3.28Å; Q200-K204 WeakPolarHBondContact O-CB 3.39Å; Q200-K204 PolarHBondContact O-N 2.72Å
201S97.8Very high96.9Very high48 Ų4852 Ų5234%0.33629%0.286SS..Hα-helixtrans-60.6-48.3175.3-1680000110.9P197 I198 K204 D205P197-S201 PolarHBondContact O-N 3.47Å; P197-S201 VanDerWaalsContact O-N 3.15Å; I198-S201 WeakPolarHBondContact O-CB 3.39Å; I198-S201 PolarHBondContact O-N 2.91Å; S201-K204 PolarHBondContact O-N 2.83Å; S201-D205 PolarHBondContact O-N 2.84Å
202V97.9Very high96.9Very high1 Ų151.1 Ų51.11%0.00628%0.281CS..Hα-helixtrans-62.1-46.7179165.60000111.6T173 A190 L191 I198 C199 K204 D205 L206T173-V202 HydrophobicContact CG2-CG1 3.75Å; A190-V202 HydrophobicContact CB-CB 4.02Å; A190-V202 HydrophobicContact CB-CG1 4.16Å; A190-V202 HydrophobicContact CB-CG2 3.71Å; L191-V202 HydrophobicContact CD2-CG1 4.07Å; I198-V202 HydrophobicContact CG2-CG2 4.4Å; I198-V202 WeakPolarHBondContact O-CG2 3.12Å; I198-V202 PolarHBondContact O-N 2.83Å; C199-V202 PolarHBondContact O-N 3.4Å; V202-K204 VanDerWaalsContact C-N 3.35Å; V202-K204 PolarHBondContact O-N 3.47Å; V202-D205 PolarHBondContact O-N 3.19Å; V202-L206 HydrophobicContact CG1-CD1 4.07Å; V202-L206 WeakPolarHBondContact O-CG 3.38Å; V202-L206 PolarHBondContact O-N 2.99Å
203E98.1Very high96.9Very high55 Ų5550.5 Ų50.526%0.25728%0.278SS..Hα-helixtrans-63.1-41.5179-174.3167.1-158.200111.9C199 D205 L206 I207 R286 W290C199-E203 WeakPolarHBondContact O-CB 3.34Å; C199-E203 PolarHBondContact O-N 3.1Å; E203-D205 VanDerWaalsContact C-N 3.33Å; E203-D205 PolarHBondContact O-N 3.23Å; E203-L206 PolarHBondContact O-N 3.46Å; E203-I207 HydrophobicContact CG-CD1 4.06Å; E203-I207 VanDerWaalsContact O-CG1 3.31Å; E203-I207 WeakPolarHBondContact O-CG1 3.41Å; E203-I207 PolarHBondContact O-N 3.33Å; E203-R286 IonicContact OE1-CZ 3.71Å; E203-R286 IonicContact OE1-NH1 2.66Å; E203-R286 PolarHBondContact OE1-NH1 2.81Å; E203-R286 IonicContact OE2-NH1 3.92Å; E203-W290 HydrophobicContact CG-CH2 3.86Å
204K97.9Very high96.8Very high155 Ų15549.2 Ų49.267%0.67426%0.257SS*.Hα-helixtrans-59.5-43.9175-176.7-176.2178.2-176.50111.8Q200 S201 V202 I207 K208Q200-K204 VanDerWaalsContact O-CB 3.28Å; Q200-K204 WeakPolarHBondContact O-CB 3.39Å; Q200-K204 PolarHBondContact O-N 2.72Å; S201-K204 PolarHBondContact O-N 2.83Å; V202-K204 VanDerWaalsContact C-N 3.35Å; V202-K204 PolarHBondContact O-N 3.47Å; K204-I207 PolarHBondContact O-N 3.37Å; K204-K208 PolarHBondContact O-N 3.14Å
205D97.8Very high96.7Very high64 Ų6445.4 Ų45.434%0.34224%0.237SC..Hα-helixtrans-66.8-40.3178.3-69.9-22.5000111.6T173 S201 V202 E203 K208 L209T173-D205 VanDerWaalsContact OG1-CB 3.31Å; T173-D205 WeakPolarHBondContact OG1-CB 3.43Å; S201-D205 PolarHBondContact O-N 2.84Å; V202-D205 PolarHBondContact O-N 3.19Å; E203-D205 VanDerWaalsContact C-N 3.33Å; E203-D205 PolarHBondContact O-N 3.23Å; D205-K208 WeakPolarHBondContact O-CB 3.42Å; D205-K208 PolarHBondContact O-N 2.67Å; D205-L209 WeakPolarHBondContact O-CG 3.14Å; D205-L209 PolarHBondContact O-N 3.22Å
206L98.5Very high96.7Very high0 Ų044.2 Ų44.20%022%0.223CC..Hα-helixtrans-62-44.1174.9-70.6171.1000112.3T173 V186 L191 V202 E203 K208 L209 S210 L287 W290 F291T173-L206 HydrophobicContact CG2-CD1 4.38Å; T173-L206 HydrophobicContact CG2-CD2 3.65Å; T173-L206 HydrophobicContact CG2-CG 3.83Å; V186-L206 HydrophobicContact CG1-CD1 4.23Å; V186-L206 HydrophobicContact CG1-CD2 4.32Å; V186-L206 HydrophobicContact CG2-CD2 4.15Å; L191-L206 HydrophobicContact CD2-CD1 3.89Å; V202-L206 HydrophobicContact CG1-CD1 4.07Å; V202-L206 WeakPolarHBondContact O-CG 3.38Å; V202-L206 PolarHBondContact O-N 2.99Å; E203-L206 PolarHBondContact O-N 3.46Å; L206-K208 VanDerWaalsContact C-N 3.29Å; L206-K208 PolarHBondContact O-N 3.31Å; L206-L209 PolarHBondContact O-N 3.43Å; L206-S210 WeakPolarHBondContact O-CB 3.43Å; L206-S210 PolarHBondContact O-N 3.22Å; L206-L287 HydrophobicContact CD1-CD2 4.05Å; L206-W290 HydrophobicContact CB-CE3 4.35Å; L206-W290 HydrophobicContact CB-CZ3 4.21Å; L206-W290 HydrophobicContact CD1-CZ3 4.43Å; L206-F291 HydrophobicContact CB-CE2 4.28Å; L206-F291 HydrophobicContact CB-CZ 4.1Å; L206-F291 HydrophobicContact CD2-CE2 3.93Å; L206-F291 HydrophobicContact CD2-CZ 3.82Å; L206-F291 VanDerWaalsContact O-CZ 3.31Å; L206-F291 WeakPolarHBondContact O-CZ 3.2Å
207I97.5Very high96.2Very high86 Ų8645.4 Ų45.444%0.44123%0.228SC..Hα-helixtrans-60.1-43.4176.3-69.8165.4000110.2E203 K204 S210 R211 W290E203-I207 HydrophobicContact CG-CD1 4.06Å; E203-I207 VanDerWaalsContact O-CG1 3.31Å; E203-I207 WeakPolarHBondContact O-CG1 3.41Å; E203-I207 PolarHBondContact O-N 3.33Å; K204-I207 PolarHBondContact O-N 3.37Å; I207-S210 PolarHBondContact O-N 2.95Å; I207-R211 PolarHBondContact O-N 2.9Å; I207-W290 HydrophobicContact CD1-CZ2 4.25Å; I207-W290 HydrophobicContact CG1-CH2 4.12Å; I207-W290 HydrophobicContact CG1-CZ2 3.84Å
208K97.1Very high95.6Very high115 Ų11543.4 Ų43.450%0.521%0.21SC..Hα-helixtrans-61-48.9175.8-176.3-172.8173.6-169.60111.7K204 D205 L206 S210 R211 D212K204-K208 PolarHBondContact O-N 3.14Å; D205-K208 WeakPolarHBondContact O-CB 3.42Å; D205-K208 PolarHBondContact O-N 2.67Å; L206-K208 VanDerWaalsContact C-N 3.29Å; L206-K208 PolarHBondContact O-N 3.31Å; K208-S210 VanDerWaalsContact C-N 3.31Å; K208-S210 PolarHBondContact O-N 3.33Å; K208-R211 WeakPolarHBondContact O-CB 3.27Å; K208-R211 PolarHBondContact O-N 2.93Å; K208-D212 PolarHBondContact O-N 3.42Å
209L97.8Very high94.8Very high17 Ų1748.7 Ų48.79%0.08923%0.233CC..Hα-helixtrans-63.3-36.9179.5-70.5174.6000112.2I175 L184 D205 L206 D212 L213 F291I175-L209 HydrophobicContact CD1-CB 4.38Å; I175-L209 HydrophobicContact CD1-CD2 4Å; I175-L209 HydrophobicContact CG1-CD1 4.48Å; I175-L209 HydrophobicContact CG1-CD2 4.22Å; L184-L209 HydrophobicContact CD1-CD1 4.08Å; D205-L209 WeakPolarHBondContact O-CG 3.14Å; D205-L209 PolarHBondContact O-N 3.22Å; L206-L209 PolarHBondContact O-N 3.43Å; L209-D212 PolarHBondContact O-N 3.43Å; L209-L213 WeakPolarHBondContact O-CB 3.47Å; L209-L213 WeakPolarHBondContact O-CG 3.2Å; L209-L213 PolarHBondContact O-N 3.09Å; L209-F291 HydrophobicContact CB-CE1 4.2Å; L209-F291 HydrophobicContact CB-CZ 4.47Å
210S97.3Very high93.5Very high8 Ų851.8 Ų51.86%0.05625%0.254CS..Hα-helixtrans-61.9-46.6174.2174.70000111.2L206 I207 K208 D212 L213 N214 W290L206-S210 WeakPolarHBondContact O-CB 3.43Å; L206-S210 PolarHBondContact O-N 3.22Å; I207-S210 PolarHBondContact O-N 2.95Å; K208-S210 VanDerWaalsContact C-N 3.31Å; K208-S210 PolarHBondContact O-N 3.33Å; S210-D212 PolarHBondContact O-N 3.42Å; S210-L213 PolarHBondContact O-N 2.83Å; S210-N214 WeakPolarHBondContact O-CB 3.19Å; S210-N214 VanDerWaalsContact O-CG 3.3Å; S210-N214 PolarHBondContact O-N 2.92Å; S210-N214 PolarHBondContact O-ND2 2.99Å; S210-W290 WeakPolarHBondContact OG-CA 3.18Å; S210-W290 WeakPolarHBondContact OG-CB 3.37Å; S210-W290 PolarHBondContact OG-O 2.86Å
211R95.8Very high92.2Very high82 Ų8253.7 Ų53.731%0.30926%0.263SS..Hα-helixtrans-59-48.1174.2-168.8-171.476.5121.7-2.5111.4I207 K208 L213 N214 C215 N229 E231 S233I207-R211 PolarHBondContact O-N 2.9Å; K208-R211 WeakPolarHBondContact O-CB 3.27Å; K208-R211 PolarHBondContact O-N 2.93Å; R211-L213 VanDerWaalsContact C-N 3.33Å; R211-L213 PolarHBondContact O-N 3.41Å; R211-N214 PolarHBondContact O-N 3.31Å; R211-C215 VanDerWaalsContact O-CB 3.32Å; R211-C215 WeakPolarHBondContact O-CB 3.4Å; R211-C215 PolarHBondContact O-N 2.88Å; R211-C215 PolarHBondContact O-SG 2.98Å; R211-N229 PolarHBondContact NH1-O 3.03Å; R211-E231 PolarHBondContact NH1-O 2.9Å; R211-E231 PolarHBondContact NH2-O 2.82Å; R211-E231 VanDerWaalsContact NH2-O 3.12Å; R211-S233 PolarHBondContact NH1-OG 2.87Å; R211-S233 PolarHBondContact NH2-OG 3.38Å
212D95.8Very high90.4Very high0 Ų054.1 Ų54.10%027%0.266CS..Hα-helixtrans-61.2-40.4-178.5-69.5-18.2000112.1K208 L209 S210 S216 S233 Q234 Y236K208-D212 PolarHBondContact O-N 3.42Å; L209-D212 PolarHBondContact O-N 3.43Å; S210-D212 PolarHBondContact O-N 3.42Å; D212-S216 WeakPolarHBondContact O-CB 3.42Å; D212-S216 PolarHBondContact O-N 2.76Å; D212-S216 PolarHBondContact O-OG 3.33Å; D212-S233 WeakPolarHBondContact OD1-CA 3.45Å; D212-S233 VanDerWaalsContact OD1-CB 3.3Å; D212-S233 WeakPolarHBondContact OD1-CB 3.22Å; D212-Q234 HydrophobicContact CB-CB 4.41Å; D212-Q234 PolarHBondContact OD1-N 2.93Å; D212-Q234 VanDerWaalsContact OD1-N 3.16Å; D212-Y236 HydrophobicContact CB-CD2 4.06Å; D212-Y236 HydrophobicContact CB-CE2 3.71Å
213L95.6Very high88.2Confident7 Ų762.9 Ų62.94%0.03731%0.313CS..Hα-helixtrans-67.3-45.4174.5-78.5170.8000112.5I175 L209 S210 R211 S216 L217 Y236 P241 F291I175-L213 HydrophobicContact CD1-CD1 3.66Å; I175-L213 HydrophobicContact CD1-CD2 3.97Å; I175-L213 HydrophobicContact CD1-CG 3.72Å; L209-L213 WeakPolarHBondContact O-CB 3.47Å; L209-L213 WeakPolarHBondContact O-CG 3.2Å; L209-L213 PolarHBondContact O-N 3.09Å; S210-L213 PolarHBondContact O-N 2.83Å; R211-L213 VanDerWaalsContact C-N 3.33Å; R211-L213 PolarHBondContact O-N 3.41Å; L213-S216 WeakPolarHBondContact O-CB 3.35Å; L213-S216 PolarHBondContact O-N 2.92Å; L213-L217 WeakPolarHBondContact O-CG 3.43Å; L213-L217 PolarHBondContact O-N 2.06Å; L213-Y236 HydrophobicContact CD2-CD2 4.29Å; L213-Y236 HydrophobicContact CD2-CG 4.19Å; L213-P241 HydrophobicContact CD1-CG 4.13Å; L213-F291 HydrophobicContact CD1-CD1 3.8Å; L213-F291 HydrophobicContact CD1-CE1 4.12Å
214N93.4Very high85.9Confident37 Ų3762.9 Ų62.920%0.19833%0.328CS..Hα-helixtrans-62.2-44.5178.1-74.3-19.9000111.5S210 R211 S216 L217 Q218S210-N214 WeakPolarHBondContact O-CB 3.19Å; S210-N214 VanDerWaalsContact O-CG 3.3Å; S210-N214 PolarHBondContact O-N 2.92Å; S210-N214 PolarHBondContact O-ND2 2.99Å; R211-N214 PolarHBondContact O-N 3.31Å; N214-S216 VanDerWaalsContact C-N 3.28Å; N214-S216 PolarHBondContact O-N 3.47Å; N214-L217 WeakPolarHBondContact O-CB 3.41Å; N214-L217 PolarHBondContact O-N 2.7Å; N214-L217 VanDerWaalsContact O-N 3.16Å; N214-Q218 WeakPolarHBondContact O-CG 3.27Å; N214-Q218 PolarHBondContact O-N 3.43Å
215C92.9Very high83.7Confident2 Ų264.4 Ų64.41%0.01434%0.338CS..Hα-helixtrans-60.3-38.1174.2-80.20000112.6R211 Q218 K219 C230R211-C215 VanDerWaalsContact O-CB 3.32Å; R211-C215 WeakPolarHBondContact O-CB 3.4Å; R211-C215 PolarHBondContact O-N 2.88Å; R211-C215 PolarHBondContact O-SG 2.98Å; C215-Q218 PolarHBondContact O-N 3.24Å; C215-K219 WeakPolarHBondContact O-CB 3.48Å; C215-K219 WeakPolarHBondContact O-CG 3.37Å; C215-K219 PolarHBondContact O-N 3.29Å; C215-C230 WeakPolarHBondContact CA-SG 3.49Å; C215-C230 HydrophobicContact CB-CB 3.71Å; C215-C230 WeakPolarHBondContact CB-SG 3.48Å; C215-C230 WeakPolarHBondContact SG-CA 3.48Å; C215-C230 WeakPolarHBondContact SG-CB 3.34Å; C215-C230 CovalentContact SG-SG 2.04Å; C215-C230 PolarHBondContact SG-SG 2.89Å
216S92.5Very high81.8Confident8 Ų869.3 Ų69.36%0.05636%0.359CS..Hα-helixtrans-65.9-38.8176.1-61.30000112D212 L213 N214 Y236D212-S216 WeakPolarHBondContact O-CB 3.42Å; D212-S216 PolarHBondContact O-N 2.76Å; D212-S216 PolarHBondContact O-OG 3.33Å; L213-S216 WeakPolarHBondContact O-CB 3.35Å; L213-S216 PolarHBondContact O-N 2.92Å; N214-S216 VanDerWaalsContact C-N 3.28Å; N214-S216 PolarHBondContact O-N 3.47Å; S216-Y236 VanDerWaalsContact CB-O 3.29Å; S216-Y236 WeakPolarHBondContact CB-O 3.48Å; S216-Y236 PolarHBondContact OG-N 3.49Å; S216-Y236 PolarHBondContact OG-O 3.49Å
217L87.1Confident79.9Confident49 Ų4975 Ų7526%0.25739%0.393SS..Hα-helixtrans-67.1-45.7174.8-70166000111.9L213 N214 S220 Q221 P238L213-L217 WeakPolarHBondContact O-CG 3.43Å; L213-L217 PolarHBondContact O-N 2.06Å; N214-L217 WeakPolarHBondContact O-CB 3.41Å; N214-L217 PolarHBondContact O-N 2.7Å; N214-L217 VanDerWaalsContact O-N 3.16Å; L217-S220 PolarHBondContact O-N 3.07Å; L217-S220 PolarHBondContact O-OG 2.94Å; L217-Q221 WeakPolarHBondContact O-CG 3.47Å; L217-Q221 PolarHBondContact O-N 3.19Å; L217-P238 VanDerWaalsContact CD2-C 3.4Å; L217-P238 HydrophobicContact CD2-CB 4.1Å; L217-P238 WeakPolarHBondContact CD2-O 3.28Å
218Q84.4Confident78.6Confident49 Ų4974.6 Ų74.623%0.22939%0.39CS..Hα-helixtrans-61.1-47179.8-72.7169.921.800111.8N214 C215 S220 Q221 S222 E228N214-Q218 WeakPolarHBondContact O-CG 3.27Å; N214-Q218 PolarHBondContact O-N 3.43Å; C215-Q218 PolarHBondContact O-N 3.24Å; Q218-S220 PolarHBondContact O-N 3.27Å; Q218-S220 VanDerWaalsContact O-N 3.09Å; Q218-Q221 PolarHBondContact O-N 3.31Å; Q218-S222 WeakPolarHBondContact O-CB 3.24Å; Q218-S222 PolarHBondContact O-N 3.18Å; Q218-S222 PolarHBondContact O-OG 3.13Å; Q218-S222 VanDerWaalsContact O-OG 3.13Å; Q218-E228 PolarHBondContact NE2-OE2 3.44Å
219K80.2Confident77.8Confident120 Ų12074.8 Ų74.852%0.52240%0.396SS..Hα-helixtrans-58.1-25.4176.9-75.3177.9-179.7-179.40113.9C215C215-K219 WeakPolarHBondContact O-CB 3.48Å; C215-K219 WeakPolarHBondContact O-CG 3.37Å; C215-K219 PolarHBondContact O-N 3.29Å
220S70.6Confident77.1Confident69 Ų6974.8 Ų74.848%0.48340%0.397SS..Hα-helixtrans-83-14.8175.774.80000113.8L217 Q218 P238L217-S220 PolarHBondContact O-N 3.07Å; L217-S220 PolarHBondContact O-OG 2.94Å; Q218-S220 PolarHBondContact O-N 3.27Å; Q218-S220 VanDerWaalsContact O-N 3.09Å; S220-P238 WeakPolarHBondContact OG-CB 3.43Å
221Q70Confident76.5Confident155 Ų15581.6 Ų81.672%0.72443%0.428SS*.Hα-helixtrans-111.3-17.1-174.2-67.8178.66.400113.5L217 Q218 D223L217-Q221 WeakPolarHBondContact O-CG 3.47Å; L217-Q221 PolarHBondContact O-N 3.19Å; Q218-Q221 PolarHBondContact O-N 3.31Å; Q221-D223 PolarHBondContact O-N 2.85Å
222S59.5Low76Confident57 Ų5781.2 Ų81.240%0.39945%0.45SS..  trans-8895.6-168.853.90000114.1Q218 G224Q218-S222 WeakPolarHBondContact O-CB 3.24Å; Q218-S222 PolarHBondContact O-N 3.18Å; Q218-S222 PolarHBondContact O-OG 3.13Å; Q218-S222 VanDerWaalsContact O-OG 3.13Å; S222-G224 VanDerWaalsContact C-N 3.27Å
223D52.8Low75.7Confident185 Ų18582.1 Ų82.199%0.98946%0.457SS*.SBendtrans-88.718.2135.4-95.5-27.2000110.8Q221Q221-D223 PolarHBondContact O-N 2.85Å
224G49.8Very low75.6Confident56 Ų5686.9 Ų86.958%0.57748%0.478SS*.SBendtrans-166.3147.4-179.500000115.8S222S222-G224 VanDerWaalsContact C-N 3.27Å
225E52.1Low75.6Confident186 Ų18689.5 Ų89.587%0.86950%0.5SS*.  trans13.8106.1180-78.8-176.915700119.4T227E225-T227 PolarHBondContact O-N 3.42Å
226E57Low75.7Confident168 Ų16890.4 Ų90.479%0.78550%0.503SS*.  trans-64.9106166.6-68.6-175.9154.300110.8
227T59.6Low75.8Confident119 Ų11991.8 Ų91.873%0.7351%0.512SS*.  trans-86.7-19.8177.750.40000114E225E225-T227 PolarHBondContact O-N 3.42Å
228E68.9Low76Confident78 Ų7892.6 Ų92.636%0.36452%0.52SS..SBendtrans-123.7135.5179.7-72.8-177.3147.300111.1Q218 C230Q218-E228 PolarHBondContact NE2-OE2 3.44Å; E228-C230 PolarHBondContact O-N 3.22Å
229N79.8Confident76.4Confident118 Ų11891.1 Ų91.163%0.63151%0.514SS*.  trans-68.7101.6171.9-176.62.4000109.5R211 E231R211-N229 PolarHBondContact NH1-O 3.03Å; N229-E231 VanDerWaalsContact C-N 3.3Å; N229-E231 PolarHBondContact O-N 3.49Å; N229-E231 WeakPolarHBondContact OD1-CB 3.47Å; N229-E231 PolarHBondContact OD1-N 3.04Å
230C84.9Confident77.1Confident17 Ų1787 Ų8712%0.11550%0.503CS..  trans-88.110.4-179.9-70.30000114.1C215 E228 G232 S233C215-C230 WeakPolarHBondContact CA-SG 3.49Å; C215-C230 HydrophobicContact CB-CB 3.71Å; C215-C230 WeakPolarHBondContact CB-SG 3.48Å; C215-C230 WeakPolarHBondContact SG-CA 3.48Å; C215-C230 WeakPolarHBondContact SG-CB 3.34Å; C215-C230 CovalentContact SG-SG 2.04Å; C215-C230 PolarHBondContact SG-SG 2.89Å; E228-C230 PolarHBondContact O-N 3.22Å; C230-G232 PolarHBondContact O-N 3.45Å; C230-S233 VanDerWaalsContact C-OG 3.28Å; C230-S233 WeakPolarHBondContact CA-OG 3.39Å; C230-S233 VanDerWaalsContact O-CB 3.28Å; C230-S233 WeakPolarHBondContact O-CB 3.34Å; C230-S233 PolarHBondContact O-N 3.25Å; C230-S233 PolarHBondContact O-OG 3.13Å
231E84.3Confident78.4Confident151 Ų15183.9 Ų83.971%0.70648%0.481SS*.THydrogen-bonded Turntrans-57.2137.5174.3-167176.5-172.300111.3R211 N229 S233R211-E231 PolarHBondContact NH1-O 2.9Å; R211-E231 PolarHBondContact NH2-O 2.82Å; R211-E231 VanDerWaalsContact NH2-O 3.12Å; N229-E231 VanDerWaalsContact C-N 3.3Å; N229-E231 PolarHBondContact O-N 3.49Å; N229-E231 WeakPolarHBondContact OD1-CB 3.47Å; N229-E231 PolarHBondContact OD1-N 3.04Å; E231-S233 PolarHBondContact O-N 3.37Å; E231-S233 VanDerWaalsContact O-N 3.11Å
232G84.2Confident79.7Confident75 Ų7576.5 Ų76.577%0.77345%0.447SS*.THydrogen-bonded Turntrans66.26.3-177.800000115.9C230C230-G232 PolarHBondContact O-N 3.45Å
233S89.6Confident81.6Confident19 Ų1973.8 Ų73.813%0.13343%0.428CS..PPolyproline II helixtrans-76.2137.2179.4-47.40000111.7R211 D212 C230 E231R211-S233 PolarHBondContact NH1-OG 2.87Å; R211-S233 PolarHBondContact NH2-OG 3.38Å; D212-S233 WeakPolarHBondContact OD1-CA 3.45Å; D212-S233 VanDerWaalsContact OD1-CB 3.3Å; D212-S233 WeakPolarHBondContact OD1-CB 3.22Å; C230-S233 VanDerWaalsContact C-OG 3.28Å; C230-S233 WeakPolarHBondContact CA-OG 3.39Å; C230-S233 VanDerWaalsContact O-CB 3.28Å; C230-S233 WeakPolarHBondContact O-CB 3.34Å; C230-S233 PolarHBondContact O-N 3.25Å; C230-S233 PolarHBondContact O-OG 3.13Å; E231-S233 PolarHBondContact O-N 3.37Å; E231-S233 VanDerWaalsContact O-N 3.11Å
234Q93.3Very high83.8Confident106 Ų10665 Ų6550%0.49538%0.381SS..PPolyproline II helixtrans-70.1139.3171.9-175.6171.9-18.300110D212 Y236D212-Q234 HydrophobicContact CB-CB 4.41Å; D212-Q234 PolarHBondContact OD1-N 2.93Å; D212-Q234 VanDerWaalsContact OD1-N 3.16Å; Q234-Y236 HydrophobicContact CB-CE2 3.99Å; Q234-Y236 VanDerWaalsContact CD-OH 3.25Å; Q234-Y236 HydrophobicContact CG-CE2 3.92Å; Q234-Y236 PolarHBondContact NE2-OH 2.82Å; Q234-Y236 PolarHBondContact OE1-OH 3.32Å
235S93.1Very high86.1Confident92 Ų9262.4 Ų62.464%0.64335%0.353SS*.PPolyproline II helixtrans-89.7132.2176.7-1740000111
236Y95.6Very high88.4Confident21 Ų2153.5 Ų53.58%0.08231%0.312CS..  trans-122161172.3-66.6-80.3000109.8I175 D212 L213 S216 Q234I175-Y236 HydrophobicContact CB-CD1 4.34Å; I175-Y236 HydrophobicContact CB-CE1 3.74Å; I175-Y236 HydrophobicContact CD1-CD1 4.28Å; I175-Y236 HydrophobicContact CD1-CD2 4.3Å; I175-Y236 HydrophobicContact CD1-CE1 3.97Å; I175-Y236 HydrophobicContact CD1-CE2 3.98Å; I175-Y236 HydrophobicContact CD1-CG 4.44Å; I175-Y236 HydrophobicContact CG1-CE1 4.44Å; I175-Y236 HydrophobicContact CG2-CD1 3.9Å; I175-Y236 HydrophobicContact CG2-CE1 3.79Å; D212-Y236 HydrophobicContact CB-CD2 4.06Å; D212-Y236 HydrophobicContact CB-CE2 3.71Å; L213-Y236 HydrophobicContact CD2-CD2 4.29Å; L213-Y236 HydrophobicContact CD2-CG 4.19Å; S216-Y236 VanDerWaalsContact CB-O 3.29Å; S216-Y236 WeakPolarHBondContact CB-O 3.48Å; S216-Y236 PolarHBondContact OG-N 3.49Å; S216-Y236 PolarHBondContact OG-O 3.49Å; Q234-Y236 HydrophobicContact CB-CE2 3.99Å; Q234-Y236 VanDerWaalsContact CD-OH 3.25Å; Q234-Y236 HydrophobicContact CG-CE2 3.92Å; Q234-Y236 PolarHBondContact NE2-OH 2.82Å; Q234-Y236 PolarHBondContact OE1-OH 3.32Å
237P94.8Very high90.4Very high38 Ų3845.8 Ų45.825%0.24728%0.276CS..  trans-49.7134.2164.3-27.534.3000110.8T177 G180 N182 T239T177-P237 HydrophobicContact CG2-CG 3.55Å; G180-P237 WeakPolarHBondContact O-CB 3.34Å; N182-P237 PolarHBondContact ND2-O 2.99Å; N182-P237 WeakPolarHBondContact OD1-CD 3.2Å; P237-T239 PolarHBondContact O-N 3.08Å
238P92.4Very high92.2Very high65 Ų6540.1 Ų40.142%0.42224%0.241SC..SBendtrans-76.565.3-17532.4-36.8000111L217 S220L217-P238 VanDerWaalsContact CD2-C 3.4Å; L217-P238 HydrophobicContact CD2-CB 4.1Å; L217-P238 WeakPolarHBondContact CD2-O 3.28Å; S220-P238 WeakPolarHBondContact OG-CB 3.43Å
239T91.6Very high93.6Very high18 Ų1836.4 Ų36.411%0.1122%0.223CC..SBendtrans-133.4140.1-178.567.20000110.2G180 N182 P237 P338G180-T239 PolarHBondContact O-OG1 2.85Å; N182-T239 PolarHBondContact ND2-O 2.82Å; N182-T239 VanDerWaalsContact ND2-O 3.13Å; N182-T239 PolarHBondContact ND2-OG1 3.12Å; P237-T239 PolarHBondContact O-N 3.08Å; T239-P338 HydrophobicContact CG2-CB 3.76Å
240A95Very high94.5Very high34 Ų3434.1 Ų34.128%0.28121%0.206SC..PPolyproline II helixtrans-61.5134.1171.600000109.9R294A240-R294 HydrophobicContact CB-CB 4.44Å; A240-R294 WeakPolarHBondContact O-CD 3.14Å; A240-R294 PolarHBondContact O-NE 3.43Å; A240-R294 VanDerWaalsContact O-NE 3.12Å
241P97.9Very high95.2Very high3 Ų334.2 Ų34.22%0.01920%0.204CC..PPolyproline II helixtrans-72.9158.3-17230.3-35.6000112.4N182 L184 L213 F291 P293 R294N182-P241 HydrophobicContact CB-CB 4.22Å; N182-P241 CarbonylContact O-C 3.58Å; N182-P241 VanDerWaalsContact O-CA 3.3Å; N182-P241 WeakPolarHBondContact O-CA 3.49Å; L184-P241 HydrophobicContact CB-CB 3.93Å; L184-P241 HydrophobicContact CB-CG 4.41Å; L213-P241 HydrophobicContact CD1-CG 4.13Å; P241-F291 WeakPolarHBondContact CD-O 3.48Å; P241-F291 HydrophobicContact CG-CB 4.18Å; P241-P293 WeakPolarHBondContact O-CA 3.37Å; P241-R294 PolarHBondContact O-N 2.77Å; P241-R294 VanDerWaalsContact O-N 3.09Å
242I98.7Very high95.8Very high1 Ų130.9 Ų30.91%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-85.5119.7154.8-52.2-63.4000106.4V181 N182 F183 L184 L244 R294 L295 V336V181-I242 HydrophobicContact CG1-CG1 4.26Å; N182-I242 PolarHBondContact O-N 3.33Å; F183-I242 CarbonylContact C-O 3.52Å; F183-I242 WeakPolarHBondContact CA-O 3.45Å; F183-I242 HydrophobicContact CD1-CB 3.8Å; F183-I242 HydrophobicContact CD1-CG1 4.19Å; F183-I242 HydrophobicContact CD1-CG2 4.16Å; F183-I242 HydrophobicContact CE1-CB 4.15Å; F183-I242 HydrophobicContact CE1-CG1 4.07Å; F183-I242 HydrophobicContact CE1-CG2 4.42Å; L184-I242 PolarHBondContact N-O 2.85Å; I242-L244 HydrophobicContact CG2-CD2 4.02Å; I242-R294 HydrophobicContact CD1-CG 3.78Å; I242-L295 HydrophobicContact CD1-CB 3.73Å; I242-L295 HydrophobicContact CD1-CD2 4.21Å; I242-L295 HydrophobicContact CG2-CB 4.29Å; I242-L295 HydrophobicContact CG2-CD2 4.08Å; I242-L295 HydrophobicContact CG2-CG 4.35Å; I242-V336 HydrophobicContact CD1-CG1 4.06Å; I242-V336 HydrophobicContact CG1-CG1 3.92Å
243M98.9Very high96.5Very high0 Ų028.3 Ų28.30%016%0.164CC..EExtended strand (participates in β ladder)trans-90.6129.7179.9-172.6179.5-69.800109.8L184 V186 L287 F291 P293 L295 I296 L297L184-M243 HydrophobicContact CD2-CE 3.86Å; L184-M243 HydrophobicContact CD2-CG 4.31Å; V186-M243 HydrophobicContact CG2-CG 4.09Å; M243-L287 HydrophobicContact CE-CB 4.06Å; M243-L287 HydrophobicContact SD-CB 4.24Å; M243-L287 HydrophobicContact SD-CD1 4.28Å; M243-F291 HydrophobicContact CE-CB 3.7Å; M243-F291 HydrophobicContact CE-CD2 3.71Å; M243-F291 HydrophobicContact CE-CG 4Å; M243-P293 HydrophobicContact CB-CB 3.89Å; M243-P293 HydrophobicContact CB-CG 4.36Å; M243-P293 HydrophobicContact CE-CB 4.16Å; M243-P293 HydrophobicContact CE-CG 3.83Å; M243-P293 HydrophobicContact SD-CG 4.45Å; M243-L295 PolarHBondContact N-O 3.23Å; M243-I296 HydrophobicContact CB-CG1 4.1Å; M243-I296 CarbonylContact O-C 3.25Å; M243-I296 WeakPolarHBondContact O-CA 3.1Å; M243-I296 HydrophobicContact SD-CG1 4.3Å; M243-L297 PolarHBondContact O-N 2.89Å
244L98.9Very high96.9Very high1 Ų127.6 Ų27.61%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-120.6128.3179.3-54178.9000107.7F105 L107 L144 F183 L184 L185 V186 I242 L297F105-L244 HydrophobicContact CB-CD1 4.26Å; F105-L244 HydrophobicContact CD1-CD1 3.26Å; F105-L244 HydrophobicContact CD2-CD1 3.94Å; F105-L244 HydrophobicContact CE1-CD1 3.37Å; F105-L244 HydrophobicContact CE2-CD1 4.02Å; F105-L244 HydrophobicContact CG-CD1 3.55Å; F105-L244 HydrophobicContact CZ-CD1 3.75Å; L107-L244 HydrophobicContact CD2-CB 3.99Å; L107-L244 HydrophobicContact CD2-CD2 4.37Å; L144-L244 HydrophobicContact CD1-CB 4.32Å; L144-L244 HydrophobicContact CD2-CB 3.84Å; L144-L244 WeakPolarHBondContact CD2-O 3.23Å; F183-L244 HydrophobicContact CB-CD1 4.18Å; F183-L244 HydrophobicContact CD1-CD1 4.29Å; L184-L244 PolarHBondContact O-N 3.42Å; L185-L244 HydrophobicContact CD1-CD1 4.35Å; V186-L244 PolarHBondContact N-O 3.23Å; I242-L244 HydrophobicContact CG2-CD2 4.02Å; L244-L297 WeakPolarHBondContact CA-O 3.18Å; L244-L297 HydrophobicContact CD2-CB 3.8Å; L244-L297 HydrophobicContact CD2-CD1 3.84Å; L244-L297 HydrophobicContact CD2-CG 4.16Å
245Q98.6Very high97Very high0 Ų024.2 Ų24.20%015%0.149CC..EExtended strand (participates in β ladder)trans-152.7171.417963-177.119.500110.8V186 Y247 I296 L297 S298V186-Q245 HydrophobicContact CB-CB 4.13Å; Q245-Y247 VanDerWaalsContact CG-O 3.28Å; Q245-Y247 WeakPolarHBondContact CG-O 3.39Å; Q245-Y247 PolarHBondContact NE2-O 3.34Å; Q245-I296 HydrophobicContact CG-CG2 4.45Å; Q245-L297 PolarHBondContact N-O 3.49Å; Q245-S298 VanDerWaalsContact O-CA 3.31Å; Q245-S298 WeakPolarHBondContact O-CA 3.37Å
246H98.8Very high97.1Very high0 Ų024.2 Ų24.20%015%0.149CC..SBendtrans-91.3-56.6177.4179.562.8000111.4D67 L107 D109 G146 N147 S188 G299 H300D67-H246 IonicContact OD1-CE1 2.68Å; D67-H246 PolarHBondContact OD1-CE1 3.43Å; D67-H246 IonicContact OD1-ND1 2.8Å; L107-H246 PolarHBondContact O-ND1 3.44Å; D109-H246 VanDerWaalsContact CG-NE2 3.34Å; D109-H246 IonicContact OD1-CE1 3.16Å; D109-H246 IonicContact OD1-NE2 3.68Å; D109-H246 PolarHBondContact OD1-NE2 3.49Å; D109-H246 IonicContact OD2-CE1 3.58Å; D109-H246 PolarHBondContact OD2-CE1 3.05Å; D109-H246 IonicContact OD2-NE2 2.72Å; D109-H246 PolarHBondContact OD2-NE2 3.42Å; G146-H246 WeakPolarHBondContact CA-CD2 3.48Å; N147-H246 PolarHBondContact OD1-NE2 2.83Å; S188-H246 PolarHBondContact OG-N 3.18Å; H246-G299 CarbonylContact O-C 3.09Å; H246-G299 VanDerWaalsContact O-C 3.25Å; H246-G299 WeakPolarHBondContact O-CA 3.45Å; H246-G299 PolarHBondContact O-N 2.67Å; H246-H300 AromaticContact CD2-ND1 3.93Å; H246-H300 AromaticContact NE2-CG 3.77Å; H246-H300 AromaticContact NE2-ND1 3.22Å; H246-H300 PolarHBondContact NE2-ND1 3.15Å; H246-H300 WeakPolarHBondContact O-CB 3.1Å
247Y98.8Very high97.2Very high6 Ų623.3 Ų23.32%0.02415%0.146CC..SBendtrans-74.9136.2177.6-70.42.8000110.6N147 F152 S188 Q245 L279 H300N147-Y247 HydrophobicContact CB-CE1 4.04Å; N147-Y247 VanDerWaalsContact CB-OH 3.29Å; N147-Y247 WeakPolarHBondContact CB-OH 3.39Å; N147-Y247 WeakPolarHBondContact OD1-CE1 3.22Å; F152-Y247 WeakPolarHBondContact CD1-OH 3.12Å; F152-Y247 WeakPolarHBondContact CE1-OH 3.16Å; S188-Y247 PolarHBondContact OG-N 2.76Å; Q245-Y247 VanDerWaalsContact CG-O 3.28Å; Q245-Y247 WeakPolarHBondContact CG-O 3.39Å; Q245-Y247 PolarHBondContact NE2-O 3.34Å; Y247-L279 HydrophobicContact CD2-CD2 4.29Å; Y247-H300 HydrophobicContact CD1-CB 4.01Å; Y247-H300 AromaticContact CD1-CG 3.61Å; Y247-H300 AromaticContact CD1-ND1 3.66Å; Y247-H300 AromaticContact CE1-CE1 3.48Å; Y247-H300 VanDerWaalsContact CE1-CE1 3.48Å; Y247-H300 WeakPolarHBondContact CE1-CE1 3.26Å; Y247-H300 AromaticContact CE1-CG 3.79Å; Y247-H300 AromaticContact CE1-ND1 3.34Å; Y247-H300 VanDerWaalsContact CE1-ND1 3.34Å; Y247-H300 WeakPolarHBondContact CE1-ND1 3.43Å
248P98.8Very high97.2Very high0 Ų026.9 Ų26.90%017%0.167CC..PPolyproline II helixtrans-62.9158.9172.3-19.229.7000112.8V278 L279 T301 E315P248-V278 HydrophobicContact CB-CG1 4.2Å; P248-V278 HydrophobicContact CG-CG1 4.43Å; P248-L279 PolarHBondContact O-N 2.82Å; P248-T301 HydrophobicContact CG-CG2 3.85Å; P248-E315 WeakPolarHBondContact CA-OE1 3.5Å; P248-E315 WeakPolarHBondContact CB-OE1 2.82Å
249L98.8Very high97.2Very high0 Ų026.4 Ų26.40%017%0.174CC..PPolyproline II helixtrans-63.3159.3165.2-59.8176.4000109.8R251 L279 L287 L288 I296 E315L249-R251 PolarHBondContact O-N 2.74Å; L249-L279 HydrophobicContact CD2-CD1 4.22Å; L249-L287 HydrophobicContact CD2-CD1 4.07Å; L249-L288 HydrophobicContact CD1-CD1 4.43Å; L249-L288 HydrophobicContact CD1-CD2 3.84Å; L249-L288 HydrophobicContact CD1-CG 4.22Å; L249-I296 HydrophobicContact CD1-CD1 3.81Å; L249-I296 HydrophobicContact CD1-CG1 4.1Å; L249-E315 WeakPolarHBondContact CB-OE2 3.42Å; L249-E315 PolarHBondContact N-OE1 2.81Å; L249-E315 PolarHBondContact N-OE2 3.1Å
250Y98.7Very high97.3Very high70 Ų7031.2 Ų31.228%0.27520%0.195SC..PPolyproline II helixtrans-52.8124-178.7176.2-96.9000111.9E274 V278 K281 S284 H309Y250-E274 HydrophobicContact CD2-CG 3.71Å; Y250-E274 HydrophobicContact CE2-CG 3.55Å; Y250-V278 HydrophobicContact CD2-CG2 4.32Å; Y250-K281 HydrophobicContact CD1-CB 4.1Å; Y250-K281 HydrophobicContact CD1-CD 4.45Å; Y250-K281 HydrophobicContact CD1-CG 4.07Å; Y250-K281 HydrophobicContact CD2-CB 4.16Å; Y250-K281 HydrophobicContact CE1-CB 4.44Å; Y250-K281 HydrophobicContact CE1-CD 4.28Å; Y250-K281 HydrophobicContact CE1-CG 4.38Å; Y250-K281 HydrophobicContact CE2-CB 4.49Å; Y250-K281 HydrophobicContact CG-CB 3.94Å; Y250-K281 HydrophobicContact CG-CG 4.37Å; Y250-S284 WeakPolarHBondContact CB-OG 3.32Å; Y250-S284 PolarHBondContact N-OG 2.88Å; Y250-H309 PolarHBondContact O-CE1 2.95Å
251R97.9Very high97.2Very high18 Ų1829.8 Ų29.87%0.06818%0.183CC..  trans-147.6153.1165.163.1-172-177-119.23.6109L249 D254 F272 V278 E315 S317L249-R251 PolarHBondContact O-N 2.74Å; R251-D254 IonicContact CZ-OD1 3.8Å; R251-D254 IonicContact NE-OD1 2.57Å; R251-D254 PolarHBondContact NE-OD1 3.38Å; R251-D254 IonicContact NH2-OD1 2.63Å; R251-D254 PolarHBondContact NH2-OD1 3.48Å; R251-D254 IonicContact NH2-OD2 3.89Å; R251-F272 HydrophobicContact CG-CD2 3.92Å; R251-F272 HydrophobicContact CG-CE2 3.98Å; R251-V278 HydrophobicContact CG-CG1 4.3Å; R251-E315 IonicContact NH1-OE2 2.74Å; R251-S317 PolarHBondContact NH1-OG 2.94Å; R251-S317 PolarHBondContact NH2-OG 2.81Å; R251-S317 VanDerWaalsContact NH2-OG 3.08Å
252V97.9Very high97.2Very high82 Ų8230.4 Ų30.450%0.49719%0.188SC..SBendtrans-70.8-36.3-172.6177.40000112L271 F272V252-L271 HydrophobicContact CG1-CD2 3.64Å; V252-L271 WeakPolarHBondContact O-CA 3.38Å; V252-F272 PolarHBondContact O-N 3.38Å
253S97.9Very high97.1Very high21 Ų2130.7 Ų30.715%0.14719%0.191CC..  trans-168179.1177.563.80000109.7A255 R268 L270S253-A255 VanDerWaalsContact C-N 3.29Å; S253-A255 WeakPolarHBondContact OG-CB 3.33Å; S253-A255 PolarHBondContact OG-N 2.89Å; S253-R268 WeakPolarHBondContact CB-O 3.46Å; S253-L270 WeakPolarHBondContact CB-O 3.43Å
254D97.6Very high96.8Very high4 Ų432.8 Ų32.82%0.02121%0.205CC..SBendtrans-89.816171.9-82.8-2.7000113.3R251 S256 C257 R268 F272R251-D254 IonicContact CZ-OD1 3.8Å; R251-D254 IonicContact NE-OD1 2.57Å; R251-D254 PolarHBondContact NE-OD1 3.38Å; R251-D254 IonicContact NH2-OD1 2.63Å; R251-D254 PolarHBondContact NH2-OD1 3.48Å; R251-D254 IonicContact NH2-OD2 3.89Å; D254-S256 PolarHBondContact O-N 3.42Å; D254-S256 VanDerWaalsContact O-N 3.15Å; D254-C257 VanDerWaalsContact C-SG 3.53Å; D254-C257 WeakPolarHBondContact CA-SG 3.47Å; D254-C257 HydrophobicContact CB-CB 4.32Å; D254-C257 WeakPolarHBondContact CB-SG 3.5Å; D254-C257 VanDerWaalsContact CG-SG 3.51Å; D254-C257 VanDerWaalsContact O-CB 3.22Å; D254-C257 WeakPolarHBondContact O-CB 3.34Å; D254-C257 PolarHBondContact O-N 2.73Å; D254-C257 PolarHBondContact O-SG 3.32Å; D254-C257 PolarHBondContact OD1-SG 3.17Å; D254-R268 CarbonylContact C-O 3.55Å; D254-R268 WeakPolarHBondContact CA-O 3.43Å; D254-R268 HydrophobicContact CB-CB 3.85Å; D254-R268 PolarHBondContact N-O 3.36Å; D254-R268 VanDerWaalsContact N-O 3.12Å; D254-F272 HydrophobicContact CB-CE2 4.43Å; D254-F272 HydrophobicContact CB-CZ 4.1Å; D254-F272 VanDerWaalsContact CG-CZ 3.43Å; D254-F272 VanDerWaalsContact OD1-CE2 3.23Å; D254-F272 WeakPolarHBondContact OD1-CE2 3.32Å; D254-F272 WeakPolarHBondContact OD1-CZ 3.49Å
255A97.3Very high96.5Very high35 Ų3536.5 Ų36.529%0.28923%0.228SC..THydrogen-bonded Turntrans-61.9-32-169.700000113.4S253 C257 R268S253-A255 VanDerWaalsContact C-N 3.29Å; S253-A255 WeakPolarHBondContact OG-CB 3.33Å; S253-A255 PolarHBondContact OG-N 2.89Å; A255-C257 VanDerWaalsContact C-N 3.34Å; A255-R268 WeakPolarHBondContact CA-O 3.41Å; A255-R268 PolarHBondContact N-O 2.93Å
256S95.2Very high96.2Very high92 Ų9243 Ų4364%0.64326%0.259SS*.THydrogen-bonded Turntrans-83.2-8.9176.959.90000113.7D254D254-S256 PolarHBondContact O-N 3.42Å; D254-S256 VanDerWaalsContact O-N 3.15Å
257C97.1Very high96Very high2 Ų248 Ų481%0.01428%0.282CS..  trans-71.1137.3-177.8-46.70000110D254 A255 A262 R268 C305D254-C257 VanDerWaalsContact C-SG 3.53Å; D254-C257 WeakPolarHBondContact CA-SG 3.47Å; D254-C257 HydrophobicContact CB-CB 4.32Å; D254-C257 WeakPolarHBondContact CB-SG 3.5Å; D254-C257 VanDerWaalsContact CG-SG 3.51Å; D254-C257 VanDerWaalsContact O-CB 3.22Å; D254-C257 WeakPolarHBondContact O-CB 3.34Å; D254-C257 PolarHBondContact O-N 2.73Å; D254-C257 PolarHBondContact O-SG 3.32Å; D254-C257 PolarHBondContact OD1-SG 3.17Å; A255-C257 VanDerWaalsContact C-N 3.34Å; C257-A262 HydrophobicContact CB-CB 4.35Å; C257-R268 PolarHBondContact O-NH1 3.04Å; C257-C305 HydrophobicContact CB-CB 3.73Å; C257-C305 WeakPolarHBondContact CB-SG 3.48Å; C257-C305 WeakPolarHBondContact SG-CB 3.36Å; C257-C305 CovalentContact SG-SG 2.01Å; C257-C305 PolarHBondContact SG-SG 3.47Å
258T94.4Very high95.8Very high113 Ų11350.9 Ų50.969%0.69329%0.293SS*.  trans-130166.7179.866.50000110.1
259G92.4Very high95.6Very high55 Ų5556 Ų5657%0.56732%0.317SS*.SBendtrans116.6166.7-176.900000112.3D261 A262G259-D261 PolarHBondContact O-N 3.05Å; G259-A262 PolarHBondContact O-N 3.02Å
260Q93.1Very high95.5Very high119 Ų11961.2 Ų61.256%0.55634%0.344SS*.THydrogen-bonded Turntrans-67-25.3-177.3-171.7-173-16.200112.4N328 F347 E350Q260-N328 PolarHBondContact O-ND2 2.7Å; Q260-F347 HydrophobicContact CB-CE1 4.12Å; Q260-F347 HydrophobicContact CB-CZ 3.84Å; Q260-F347 HydrophobicContact CG-CE1 4.3Å; Q260-F347 HydrophobicContact CG-CZ 4.46Å; Q260-E350 PolarHBondContact NE2-OE1 2.9Å; Q260-E350 VanDerWaalsContact NE2-OE1 3.08Å
261D94.5Very high95.5Very high4 Ų464.3 Ų64.32%0.02137%0.365CS..THydrogen-bonded Turntrans-108.19.5-177.464-38.7000113.7G259 G304 P319 R326 K345 F347G259-D261 PolarHBondContact O-N 3.05Å; D261-G304 PolarHBondContact O-N 3.21Å; D261-G304 WeakPolarHBondContact OD2-CA 3.41Å; D261-P319 WeakPolarHBondContact OD2-CG 3.46Å; D261-R326 PolarHBondContact O-NH1 2.91Å; D261-R326 PolarHBondContact O-NH2 3.22Å; D261-K345 IonicContact OD1-NZ 2.85Å; D261-K345 PolarHBondContact OD1-NZ 2.89Å; D261-K345 WeakPolarHBondContact OD2-CD 3.37Å; D261-K345 WeakPolarHBondContact OD2-CE 3.47Å; D261-K345 IonicContact OD2-NZ 2.71Å; D261-K345 PolarHBondContact OD2-NZ 2.99Å; D261-F347 HydrophobicContact CB-CE1 3.76Å; D261-F347 HydrophobicContact CB-CZ 4.02Å
262A96.8Very high95.5Very high16 Ų1665.5 Ų65.513%0.13237%0.37CS..SBendtrans-63.4151.4168.300000110.4C257 G259 G304C257-A262 HydrophobicContact CB-CB 4.35Å; G259-A262 PolarHBondContact O-N 3.02Å; A262-G304 WeakPolarHBondContact CA-O 3.09Å
263A96.1Very high95.5Very high7 Ų769.4 Ų69.46%0.05838%0.376CS..PPolyproline II helixtrans-55.1143.4173.700000110.3E267 R268A263-E267 HydrophobicContact CB-CB 4.28Å; A263-R268 HydrophobicContact CB-CB 3.71Å; A263-R268 WeakPolarHBondContact O-CD 3.18Å
264P94.1Very high95.5Very high44 Ų4472 Ų7229%0.28639%0.386SS..PPolyproline II helixtrans-64.2158.3-179.730.8-37.3000110.8E266 E267 R268P264-E266 HydrophobicContact CB-CG 4.38Å; P264-E266 WeakPolarHBondContact CB-OE1 3.04Å; P264-E266 HydrophobicContact CG-CG 4.21Å; P264-E266 PolarHBondContact O-N 2.84Å; P264-E266 VanDerWaalsContact O-N 3.1Å; P264-E267 HydrophobicContact CG-CB 4.06Å; P264-E267 HydrophobicContact CG-CG 4Å; P264-E267 PolarHBondContact O-N 2.87Å; P264-R268 PolarHBondContact O-N 3.06Å
265P91.7Very high95.4Very high78 Ų7875.4 Ų75.451%0.50640%0.401SS..Hα-helixtrans-51.3-37.5-174.8-29.537000114.8E267 H269P265-E267 VanDerWaalsContact C-N 3.32Å; P265-E267 PolarHBondContact O-N 3.16Å; P265-H269 PolarHBondContact O-ND1 3.16Å
266E92.6Very high95.4Very high136 Ų13678.2 Ų78.264%0.63641%0.405SS*.Hα-helixtrans-65.6-29.6178.257-88.6-157.300114P264P264-E266 HydrophobicContact CB-CG 4.38Å; P264-E266 WeakPolarHBondContact CB-OE1 3.04Å; P264-E266 HydrophobicContact CG-CG 4.21Å; P264-E266 PolarHBondContact O-N 2.84Å; P264-E266 VanDerWaalsContact O-N 3.1Å
267E93.6Very high95.6Very high106 Ų10675.9 Ų75.950%0.49539%0.385SS..Hα-helixtrans-97.2-43.3-179-71.7174.4-160.900111.5A263 P264 P265 H269 L270A263-E267 HydrophobicContact CB-CB 4.28Å; P264-E267 HydrophobicContact CG-CB 4.06Å; P264-E267 HydrophobicContact CG-CG 4Å; P264-E267 PolarHBondContact O-N 2.87Å; P265-E267 VanDerWaalsContact C-N 3.32Å; P265-E267 PolarHBondContact O-N 3.16Å; E267-H269 PolarHBondContact O-N 3.06Å; E267-H269 VanDerWaalsContact O-N 3.11Å; E267-L270 VanDerWaalsContact O-CB 3.27Å; E267-L270 WeakPolarHBondContact O-CB 3.27Å; E267-L270 WeakPolarHBondContact O-CG 3.24Å; E267-L270 PolarHBondContact O-N 3.44Å
268R94.7Very high95.6Very high66 Ų6675.8 Ų75.825%0.24938%0.384CS..Hα-helixtrans-66.6-20.4-171.575.5175.5-177.5-173.4-4.2114.2S253 D254 A255 C257 A263 P264S253-R268 WeakPolarHBondContact CB-O 3.46Å; D254-R268 CarbonylContact C-O 3.55Å; D254-R268 WeakPolarHBondContact CA-O 3.43Å; D254-R268 HydrophobicContact CB-CB 3.85Å; D254-R268 PolarHBondContact N-O 3.36Å; D254-R268 VanDerWaalsContact N-O 3.12Å; A255-R268 WeakPolarHBondContact CA-O 3.41Å; A255-R268 PolarHBondContact N-O 2.93Å; C257-R268 PolarHBondContact O-NH1 3.04Å; A263-R268 HydrophobicContact CB-CB 3.71Å; A263-R268 WeakPolarHBondContact O-CD 3.18Å; P264-R268 PolarHBondContact O-N 3.06Å
269H96.1Very high95.8Very high109 Ų10970.5 Ų70.551%0.50535%0.352SS..THydrogen-bonded Turntrans-88.5-6.2176-64.191.9000113.5P265 E267P265-H269 PolarHBondContact O-ND1 3.16Å; E267-H269 PolarHBondContact O-N 3.06Å; E267-H269 VanDerWaalsContact O-N 3.11Å
270L96.8Very high96.1Very high108 Ų10868.1 Ų68.157%0.56533%0.326SS*.SBendtrans-66138.7174.1-61.3176.7000109.6S253 E267S253-L270 WeakPolarHBondContact CB-O 3.43Å; E267-L270 VanDerWaalsContact O-CB 3.27Å; E267-L270 WeakPolarHBondContact O-CB 3.27Å; E267-L270 WeakPolarHBondContact O-CG 3.24Å; E267-L270 PolarHBondContact O-N 3.44Å
271L97.9Very high96.4Very high136 Ų13667.8 Ų67.871%0.71232%0.323SS*.PPolyproline II helixtrans-73.4130.4177.8-60.8178.2000109.4V252V252-L271 HydrophobicContact CG1-CD2 3.64Å; V252-L271 WeakPolarHBondContact O-CA 3.38Å
272F98.2Very high96.6Very high42 Ų4272.9 Ų72.918%0.18435%0.347CS..PPolyproline II helixtrans-74.6140.1173.8-71.7-30.5000111.8R251 V252 D254 D277 V278 T301R251-F272 HydrophobicContact CG-CD2 3.92Å; R251-F272 HydrophobicContact CG-CE2 3.98Å; V252-F272 PolarHBondContact O-N 3.38Å; D254-F272 HydrophobicContact CB-CE2 4.43Å; D254-F272 HydrophobicContact CB-CZ 4.1Å; D254-F272 VanDerWaalsContact CG-CZ 3.43Å; D254-F272 VanDerWaalsContact OD1-CE2 3.23Å; D254-F272 WeakPolarHBondContact OD1-CE2 3.32Å; D254-F272 WeakPolarHBondContact OD1-CZ 3.49Å; F272-D277 HydrophobicContact CB-CB 3.9Å; F272-D277 HydrophobicContact CD1-CB 3.6Å; F272-D277 HydrophobicContact CE1-CB 4.33Å; F272-D277 HydrophobicContact CG-CB 3.88Å; F272-V278 HydrophobicContact CB-CG1 4.24Å; F272-V278 HydrophobicContact CB-CG2 4.09Å; F272-V278 HydrophobicContact CD2-CG1 3.57Å; F272-V278 HydrophobicContact CE2-CG1 4.11Å; F272-V278 HydrophobicContact CG-CG1 4.08Å; F272-T301 HydrophobicContact CE2-CG2 4.48Å; F272-T301 HydrophobicContact CZ-CG2 3.98Å
273R98Very high96.6Very high165 Ų16572.8 Ų72.862%0.62335%0.346SS*.PPolyproline II helixtrans-90.2120.3170.4-178.9-178.4176.3-1720.5109.4Y276 D277R273-Y276 PolarHBondContact O-N 3.19Å; R273-D277 WeakPolarHBondContact CB-OD2 3.36Å; R273-D277 PolarHBondContact N-OD2 3.26Å; R273-D277 PolarHBondContact O-N 3.1Å
274E97.8Very high96.8Very high74 Ų7472.7 Ų72.735%0.34634%0.344SS..BIsolated β-bridgetrans-55.1143.9171-64.3-173.1-108.400111.7Y250 Y276 V278 S280 K281Y250-E274 HydrophobicContact CD2-CG 3.71Å; Y250-E274 HydrophobicContact CE2-CG 3.55Å; E274-Y276 PolarHBondContact O-N 3.18Å; E274-Y276 VanDerWaalsContact O-N 3.16Å; E274-V278 CarbonylContact C-O 3.47Å; E274-S280 WeakPolarHBondContact OE2-CA 3.26Å; E274-S280 WeakPolarHBondContact OE2-CB 3.36Å; E274-K281 PolarHBondContact OE2-N 3.1Å
275K96.1Very high97Very high76 Ų7673.4 Ų73.433%0.3334%0.344SS..THydrogen-bonded Turntrans65.18.4-179.7-43.8173.1-174.7-162.20114.2H192 V278H192-K275 WeakPolarHBondContact ND1-CB 3.37Å; H192-K275 WeakPolarHBondContact O-CD 3.31Å; H192-K275 VanDerWaalsContact O-CE 3.27Å; H192-K275 WeakPolarHBondContact O-CE 3.49Å; H192-K275 PolarHBondContact O-NZ 3.13Å; K275-V278 WeakPolarHBondContact CA-O 3.14Å; K275-V278 PolarHBondContact N-O 3.04Å
276Y97.1Very high97.3Very high95 Ų9575 Ų7537%0.37334%0.34SS..THydrogen-bonded Turntrans-125.9-68.2174.2-164.3-90.2000109.6F152 R273 E274 H300F152-Y276 AromaticContact CD1-CD2 3.66Å; F152-Y276 HydrophobicContact CD1-CD2 3.66Å; F152-Y276 AromaticContact CD1-CE2 3.49Å; F152-Y276 HydrophobicContact CD1-CE2 3.49Å; F152-Y276 VanDerWaalsContact CD1-CE2 3.49Å; F152-Y276 HydrophobicContact CD1-CG 4.48Å; F152-Y276 HydrophobicContact CD2-CE2 4.31Å; F152-Y276 HydrophobicContact CE1-CD1 4.24Å; F152-Y276 AromaticContact CE1-CD2 3.52Å; F152-Y276 HydrophobicContact CE1-CD2 3.52Å; F152-Y276 AromaticContact CE1-CE1 3.96Å; F152-Y276 HydrophobicContact CE1-CE1 3.96Å; F152-Y276 AromaticContact CE1-CE2 3.18Å; F152-Y276 HydrophobicContact CE1-CE2 3.18Å; F152-Y276 HydrophobicContact CE1-CG 4.04Å; F152-Y276 AromaticContact CE1-CZ 3.43Å; F152-Y276 VanDerWaalsContact CE1-CZ 3.43Å; F152-Y276 HydrophobicContact CE2-CE2 4.05Å; F152-Y276 HydrophobicContact CG-CE2 4.04Å; F152-Y276 HydrophobicContact CZ-CD2 4.26Å; F152-Y276 AromaticContact CZ-CE1 3.99Å; F152-Y276 HydrophobicContact CZ-CE1 3.99Å; F152-Y276 AromaticContact CZ-CE2 3.48Å; F152-Y276 HydrophobicContact CZ-CE2 3.48Å; F152-Y276 VanDerWaalsContact CZ-CE2 3.48Å; F152-Y276 AromaticContact CZ-CZ 3.31Å; F152-Y276 VanDerWaalsContact CZ-OH 3.25Å; F152-Y276 WeakPolarHBondContact CZ-OH 3.36Å; R273-Y276 PolarHBondContact O-N 3.19Å; E274-Y276 PolarHBondContact O-N 3.18Å; E274-Y276 VanDerWaalsContact O-N 3.16Å; Y276-H300 PolarHBondContact O-NE2 3.08Å
277D97.9Very high97.6Very high42 Ų4268.6 Ų68.623%0.22531%0.31CS..THydrogen-bonded Turntrans-83.6-28.2-179.3-54.1-54000112.4F272 R273 H300F272-D277 HydrophobicContact CB-CB 3.9Å; F272-D277 HydrophobicContact CD1-CB 3.6Å; F272-D277 HydrophobicContact CE1-CB 4.33Å; F272-D277 HydrophobicContact CG-CB 3.88Å; R273-D277 WeakPolarHBondContact CB-OD2 3.36Å; R273-D277 PolarHBondContact N-OD2 3.26Å; R273-D277 PolarHBondContact O-N 3.1Å; D277-H300 PolarHBondContact O-CD2 3.21Å; D277-H300 VanDerWaalsContact O-CD2 3.23Å
278V98.6Very high97.8Very high0 Ų063.7 Ų63.70%029%0.287CS..BIsolated β-bridgetrans-145.6161.8-178.6-64.30000110.3P248 Y250 R251 F272 E274 K275P248-V278 HydrophobicContact CB-CG1 4.2Å; P248-V278 HydrophobicContact CG-CG1 4.43Å; Y250-V278 HydrophobicContact CD2-CG2 4.32Å; R251-V278 HydrophobicContact CG-CG1 4.3Å; F272-V278 HydrophobicContact CB-CG1 4.24Å; F272-V278 HydrophobicContact CB-CG2 4.09Å; F272-V278 HydrophobicContact CD2-CG1 3.57Å; F272-V278 HydrophobicContact CE2-CG1 4.11Å; F272-V278 HydrophobicContact CG-CG1 4.08Å; E274-V278 CarbonylContact C-O 3.47Å; K275-V278 WeakPolarHBondContact CA-O 3.14Å; K275-V278 PolarHBondContact N-O 3.04Å
279L98.8Very high98Very high3 Ų366.3 Ų66.32%0.01630%0.302CS..  trans-60.5156.8168.1-71.6-178.8000111.7S188 L191 Y247 P248 L249 A283 L287S188-L279 WeakPolarHBondContact O-CD2 3.37Å; L191-L279 HydrophobicContact CB-CD2 3.75Å; L191-L279 HydrophobicContact CD1-CD1 4.01Å; L191-L279 HydrophobicContact CD1-CD2 4.22Å; Y247-L279 HydrophobicContact CD2-CD2 4.29Å; P248-L279 PolarHBondContact O-N 2.82Å; L249-L279 HydrophobicContact CD2-CD1 4.22Å; L279-A283 HydrophobicContact CB-CB 4.46Å; L279-L287 HydrophobicContact CD1-CD1 3.74Å
280S98.6Very high98.1Very high4 Ų463.7 Ų63.73%0.02829%0.288CS..  trans-65.4157.6172.494.50000111.2E274 E282 A283 S284E274-S280 WeakPolarHBondContact OE2-CA 3.26Å; E274-S280 WeakPolarHBondContact OE2-CB 3.36Å; S280-E282 WeakPolarHBondContact CB-OE2 3.19Å; S280-E282 PolarHBondContact O-N 3.28Å; S280-E282 PolarHBondContact OG-N 3.48Å; S280-E282 PolarHBondContact OG-OE2 3.4Å; S280-A283 PolarHBondContact O-N 3.06Å; S280-A283 PolarHBondContact OG-N 3.08Å; S280-S284 WeakPolarHBondContact O-CB 3.36Å; S280-S284 PolarHBondContact O-N 3.39Å; S280-S284 PolarHBondContact O-OG 2.94Å
281K98.4Very high98.1Very high113 Ų11359 Ų5949%0.49126%0.263SS..Hα-helixtrans-56.6-41.3175.6-170.9174.7-179.7178.90111.5Y250 E274 Q285Y250-K281 HydrophobicContact CD1-CB 4.1Å; Y250-K281 HydrophobicContact CD1-CD 4.45Å; Y250-K281 HydrophobicContact CD1-CG 4.07Å; Y250-K281 HydrophobicContact CD2-CB 4.16Å; Y250-K281 HydrophobicContact CE1-CB 4.44Å; Y250-K281 HydrophobicContact CE1-CD 4.28Å; Y250-K281 HydrophobicContact CE1-CG 4.38Å; Y250-K281 HydrophobicContact CE2-CB 4.49Å; Y250-K281 HydrophobicContact CG-CB 3.94Å; Y250-K281 HydrophobicContact CG-CG 4.37Å; E274-K281 PolarHBondContact OE2-N 3.1Å; K281-Q285 WeakPolarHBondContact O-CB 3.27Å; K281-Q285 VanDerWaalsContact O-CG 3.26Å; K281-Q285 WeakPolarHBondContact O-CG 3.46Å; K281-Q285 PolarHBondContact O-N 3.05Å
282E98.3Very high98.1Very high111 Ų11158 Ų5852%0.51925%0.253SS..Hα-helixtrans-65.6-48.1179-58.369.8-147.700111.8S280 S284 Q285 R286S280-E282 WeakPolarHBondContact CB-OE2 3.19Å; S280-E282 PolarHBondContact O-N 3.28Å; S280-E282 PolarHBondContact OG-N 3.48Å; S280-E282 PolarHBondContact OG-OE2 3.4Å; E282-S284 VanDerWaalsContact C-N 3.31Å; E282-S284 PolarHBondContact O-N 3.09Å; E282-Q285 PolarHBondContact O-N 3.5Å; E282-R286 WeakPolarHBondContact O-CG 3.39Å; E282-R286 PolarHBondContact O-N 2.9Å
283A98.4Very high98.1Very high14 Ų1456 Ų5612%0.11624%0.244CC..Hα-helixtrans-61.3-43178.600000111.1L191 L279 S280 Q285 R286 L287L191-A283 HydrophobicContact CB-CB 4.31Å; L279-A283 HydrophobicContact CB-CB 4.46Å; S280-A283 PolarHBondContact O-N 3.06Å; S280-A283 PolarHBondContact OG-N 3.08Å; A283-Q285 PolarHBondContact O-N 2.92Å; A283-R286 PolarHBondContact O-N 2.98Å; A283-L287 WeakPolarHBondContact O-CG 3.38Å; A283-L287 PolarHBondContact O-N 2.96Å
284S98.8Very high98.1Very high4 Ų450.2 Ų50.23%0.02822%0.222CC..Hα-helixtrans-60.8-47.2178-560000111.6Y250 S280 E282 R286 L287 L288Y250-S284 WeakPolarHBondContact CB-OG 3.32Å; Y250-S284 PolarHBondContact N-OG 2.88Å; S280-S284 WeakPolarHBondContact O-CB 3.36Å; S280-S284 PolarHBondContact O-N 3.39Å; S280-S284 PolarHBondContact O-OG 2.94Å; E282-S284 VanDerWaalsContact C-N 3.31Å; E282-S284 PolarHBondContact O-N 3.09Å; S284-R286 PolarHBondContact O-N 2.95Å; S284-L287 PolarHBondContact O-N 2.8Å; S284-L288 WeakPolarHBondContact O-CG 3.45Å; S284-L288 PolarHBondContact O-N 2.99Å; S284-L288 VanDerWaalsContact O-N 3.1Å
285Q98.5Very high98.1Very high59 Ų5946.7 Ų46.728%0.27621%0.206SC..Hα-helixtrans-65.6-38.5178.9-73.6-66.3-37.600112.5K281 E282 A283 L288 Q289 D310K281-Q285 WeakPolarHBondContact O-CB 3.27Å; K281-Q285 VanDerWaalsContact O-CG 3.26Å; K281-Q285 WeakPolarHBondContact O-CG 3.46Å; K281-Q285 PolarHBondContact O-N 3.05Å; E282-Q285 PolarHBondContact O-N 3.5Å; A283-Q285 PolarHBondContact O-N 2.92Å; Q285-L288 PolarHBondContact O-N 2.74Å; Q285-Q289 WeakPolarHBondContact O-CB 2.94Å; Q285-Q289 WeakPolarHBondContact O-CG 3.25Å; Q285-Q289 PolarHBondContact O-N 2.57Å; Q285-D310 PolarHBondContact NE2-OD1 2.97Å; Q285-D310 PolarHBondContact NE2-OD2 3.11Å
286R98.3Very high98.2Very high113 Ų11343.1 Ų43.143%0.42619%0.19SC..Hα-helixtrans-59.7-47.9173.8-76.3-178.8-178.5177.86.1111.8E203 E282 A283 S284 L288 Q289 W290E203-R286 IonicContact OE1-CZ 3.71Å; E203-R286 IonicContact OE1-NH1 2.66Å; E203-R286 PolarHBondContact OE1-NH1 2.81Å; E203-R286 IonicContact OE2-NH1 3.92Å; E282-R286 WeakPolarHBondContact O-CG 3.39Å; E282-R286 PolarHBondContact O-N 2.9Å; A283-R286 PolarHBondContact O-N 2.98Å; S284-R286 PolarHBondContact O-N 2.95Å; R286-L288 VanDerWaalsContact C-N 3.35Å; R286-L288 PolarHBondContact O-N 2.83Å; R286-Q289 PolarHBondContact O-N 3.29Å; R286-W290 HydrophobicContact CB-CD2 4.26Å; R286-W290 HydrophobicContact CB-CE3 4.15Å; R286-W290 HydrophobicContact CB-CH2 3.89Å; R286-W290 HydrophobicContact CB-CZ2 4Å; R286-W290 HydrophobicContact CB-CZ3 3.97Å; R286-W290 HydrophobicContact CG-CH2 4.28Å; R286-W290 HydrophobicContact CG-CZ2 4.15Å; R286-W290 WeakPolarHBondContact O-CB 3.33Å; R286-W290 PolarHBondContact O-N 3.12Å
287L98.8Very high98.3Very high1 Ų138.7 Ų38.71%0.00517%0.173CC..Hα-helixtrans-59.7-44178.2-70.5176.9000112.2V186 L191 L206 M243 L249 L279 A283 S284 W290 F291V186-L287 HydrophobicContact CG1-CD2 4.36Å; L191-L287 HydrophobicContact CD1-CD1 3.8Å; L191-L287 HydrophobicContact CD1-CD2 4.32Å; L191-L287 HydrophobicContact CD1-CG 4.33Å; L206-L287 HydrophobicContact CD1-CD2 4.05Å; M243-L287 HydrophobicContact CE-CB 4.06Å; M243-L287 HydrophobicContact SD-CB 4.24Å; M243-L287 HydrophobicContact SD-CD1 4.28Å; L249-L287 HydrophobicContact CD2-CD1 4.07Å; L279-L287 HydrophobicContact CD1-CD1 3.74Å; A283-L287 WeakPolarHBondContact O-CG 3.38Å; A283-L287 PolarHBondContact O-N 2.96Å; S284-L287 PolarHBondContact O-N 2.8Å; L287-W290 HydrophobicContact CD2-CE3 4.39Å; L287-F291 HydrophobicContact CD2-CD2 4.23Å; L287-F291 HydrophobicContact CD2-CE2 4.02Å; L287-F291 WeakPolarHBondContact O-CD2 3.49Å; L287-F291 PolarHBondContact O-N 3.14Å
288L98.7Very high98.4Very high3 Ų336.7 Ų36.72%0.01616%0.163CC..Hα-helixtrans-64.1-40.3177.5-67.1178.8000112.2L249 S284 Q285 R286 K292 P293 I296 H309 Y313L249-L288 HydrophobicContact CD1-CD1 4.43Å; L249-L288 HydrophobicContact CD1-CD2 3.84Å; L249-L288 HydrophobicContact CD1-CG 4.22Å; S284-L288 WeakPolarHBondContact O-CG 3.45Å; S284-L288 PolarHBondContact O-N 2.99Å; S284-L288 VanDerWaalsContact O-N 3.1Å; Q285-L288 PolarHBondContact O-N 2.74Å; R286-L288 VanDerWaalsContact C-N 3.35Å; R286-L288 PolarHBondContact O-N 2.83Å; L288-K292 VanDerWaalsContact O-CA 3.29Å; L288-K292 WeakPolarHBondContact O-CA 3.29Å; L288-K292 PolarHBondContact O-N 2.63Å; L288-P293 HydrophobicContact CD2-CG 4.11Å; L288-I296 HydrophobicContact CD2-CD1 4.08Å; L288-H309 HydrophobicContact CD1-CB 4.05Å; L288-Y313 HydrophobicContact CB-CD2 4.29Å; L288-Y313 HydrophobicContact CB-CE2 4.14Å; L288-Y313 HydrophobicContact CD1-CD2 3.93Å; L288-Y313 HydrophobicContact CD1-CE2 4.43Å; L288-Y313 HydrophobicContact CD2-CD1 4.42Å; L288-Y313 HydrophobicContact CD2-CD2 3.64Å; L288-Y313 HydrophobicContact CD2-CE2 4.27Å; L288-Y313 HydrophobicContact CD2-CG 3.7Å; L288-Y313 HydrophobicContact CG-CD2 4.16Å
289Q97.8Very high98.4Very high121 Ų12136.7 Ų36.757%0.56516%0.163SC*.Hα-helixtrans-68.2-45.6178-72.4170.51400112.4Q285 R286Q285-Q289 WeakPolarHBondContact O-CB 2.94Å; Q285-Q289 WeakPolarHBondContact O-CG 3.25Å; Q285-Q289 PolarHBondContact O-N 2.57Å; R286-Q289 PolarHBondContact O-N 3.29Å
290W97.9Very high98.4Very high54 Ų5437.6 Ų37.621%0.20517%0.167CC..Hα-helixtrans-67.9-39.2-177.4-71.8-23.3000113.2E203 L206 I207 S210 R286 L287E203-W290 HydrophobicContact CG-CH2 3.86Å; L206-W290 HydrophobicContact CB-CE3 4.35Å; L206-W290 HydrophobicContact CB-CZ3 4.21Å; L206-W290 HydrophobicContact CD1-CZ3 4.43Å; I207-W290 HydrophobicContact CD1-CZ2 4.25Å; I207-W290 HydrophobicContact CG1-CH2 4.12Å; I207-W290 HydrophobicContact CG1-CZ2 3.84Å; S210-W290 WeakPolarHBondContact OG-CA 3.18Å; S210-W290 WeakPolarHBondContact OG-CB 3.37Å; S210-W290 PolarHBondContact OG-O 2.86Å; R286-W290 HydrophobicContact CB-CD2 4.26Å; R286-W290 HydrophobicContact CB-CE3 4.15Å; R286-W290 HydrophobicContact CB-CH2 3.89Å; R286-W290 HydrophobicContact CB-CZ2 4Å; R286-W290 HydrophobicContact CB-CZ3 3.97Å; R286-W290 HydrophobicContact CG-CH2 4.28Å; R286-W290 HydrophobicContact CG-CZ2 4.15Å; R286-W290 WeakPolarHBondContact O-CB 3.33Å; R286-W290 PolarHBondContact O-N 3.12Å; L287-W290 HydrophobicContact CD2-CE3 4.39Å
291F98.1Very high98.3Very high9 Ų938.6 Ų38.64%0.03917%0.172CC..Hα-helixtrans-115.5-22-167.8-63-70000114.4L184 L206 L209 L213 P241 M243 L287L184-F291 HydrophobicContact CD1-CE1 4.2Å; L184-F291 HydrophobicContact CD1-CZ 4.33Å; L184-F291 HydrophobicContact CD2-CB 4.13Å; L184-F291 HydrophobicContact CD2-CD1 3.47Å; L184-F291 VanDerWaalsContact CD2-CD1 3.47Å; L184-F291 HydrophobicContact CD2-CD2 3.62Å; L184-F291 HydrophobicContact CD2-CE1 3.62Å; L184-F291 HydrophobicContact CD2-CE2 3.78Å; L184-F291 HydrophobicContact CD2-CG 3.45Å; L184-F291 VanDerWaalsContact CD2-CG 3.45Å; L184-F291 HydrophobicContact CD2-CZ 3.77Å; L206-F291 HydrophobicContact CB-CE2 4.28Å; L206-F291 HydrophobicContact CB-CZ 4.1Å; L206-F291 HydrophobicContact CD2-CE2 3.93Å; L206-F291 HydrophobicContact CD2-CZ 3.82Å; L206-F291 VanDerWaalsContact O-CZ 3.31Å; L206-F291 WeakPolarHBondContact O-CZ 3.2Å; L209-F291 HydrophobicContact CB-CE1 4.2Å; L209-F291 HydrophobicContact CB-CZ 4.47Å; L213-F291 HydrophobicContact CD1-CD1 3.8Å; L213-F291 HydrophobicContact CD1-CE1 4.12Å; P241-F291 WeakPolarHBondContact CD-O 3.48Å; P241-F291 HydrophobicContact CG-CB 4.18Å; M243-F291 HydrophobicContact CE-CB 3.7Å; M243-F291 HydrophobicContact CE-CD2 3.71Å; M243-F291 HydrophobicContact CE-CG 4Å; L287-F291 HydrophobicContact CD2-CD2 4.23Å; L287-F291 HydrophobicContact CD2-CE2 4.02Å; L287-F291 WeakPolarHBondContact O-CD2 3.49Å; L287-F291 PolarHBondContact O-N 3.14Å
292K97.8Very high98.3Very high114 Ų11435.5 Ų35.550%0.49616%0.16SC..  trans43.850.9-177-57.8168-173.3166.80111.1L288 Y313L288-K292 VanDerWaalsContact O-CA 3.29Å; L288-K292 WeakPolarHBondContact O-CA 3.29Å; L288-K292 PolarHBondContact O-N 2.63Å; K292-Y313 HydrophobicContact CB-CE1 4.2Å
293P98.2Very high98.2Very high1 Ų130.4 Ų30.41%0.00614%0.136CC..  trans-63.5146.9-169.130.1-37.2000110.3P241 M243 L288 I296 Y313P241-P293 WeakPolarHBondContact O-CA 3.37Å; M243-P293 HydrophobicContact CB-CB 3.89Å; M243-P293 HydrophobicContact CB-CG 4.36Å; M243-P293 HydrophobicContact CE-CB 4.16Å; M243-P293 HydrophobicContact CE-CG 3.83Å; M243-P293 HydrophobicContact SD-CG 4.45Å; L288-P293 HydrophobicContact CD2-CG 4.11Å; P293-I296 HydrophobicContact CB-CG1 4.32Å; P293-I296 HydrophobicContact CG-CD1 3.81Å; P293-I296 HydrophobicContact CG-CG1 3.77Å; P293-Y313 WeakPolarHBondContact O-CD1 3.33Å
294R96.8Very high98.2Very high43 Ų4329.8 Ų29.816%0.16213%0.131CC..SBendtrans-86-12177.663.4-171.8177.9116.63.2113.5A240 P241 I242 P314 S337 G340 H341A240-R294 HydrophobicContact CB-CB 4.44Å; A240-R294 WeakPolarHBondContact O-CD 3.14Å; A240-R294 PolarHBondContact O-NE 3.43Å; A240-R294 VanDerWaalsContact O-NE 3.12Å; P241-R294 PolarHBondContact O-N 2.77Å; P241-R294 VanDerWaalsContact O-N 3.09Å; I242-R294 HydrophobicContact CD1-CG 3.78Å; R294-P314 WeakPolarHBondContact O-CG 3.5Å; R294-S337 PolarHBondContact NH1-O 3.07Å; R294-S337 PolarHBondContact NH2-O 2.95Å; R294-G340 PolarHBondContact NH1-O 2.81Å; R294-H341 PolarHBondContact O-CE1 3.13Å
295L98.7Very high98.1Very high1 Ų129.6 Ų29.61%0.00513%0.13CC..EExtended strand (participates in β ladder)trans-158.7139.1173.8175.767.1000108.3I242 M243 L297 P314 I316 L343I242-L295 HydrophobicContact CD1-CB 3.73Å; I242-L295 HydrophobicContact CD1-CD2 4.21Å; I242-L295 HydrophobicContact CG2-CB 4.29Å; I242-L295 HydrophobicContact CG2-CD2 4.08Å; I242-L295 HydrophobicContact CG2-CG 4.35Å; M243-L295 PolarHBondContact N-O 3.23Å; L295-L297 HydrophobicContact CD1-CD2 4.22Å; L295-L297 HydrophobicContact CD2-CD1 4.27Å; L295-L297 HydrophobicContact CD2-CD2 4.02Å; L295-L297 HydrophobicContact CD2-CG 4.06Å; L295-L297 HydrophobicContact CG-CD2 4.14Å; L295-L297 HydrophobicContact CG-CG 4.2Å; L295-P314 HydrophobicContact CD1-CB 4.49Å; L295-P314 HydrophobicContact CD1-CG 4.32Å; L295-I316 HydrophobicContact CD1-CD1 4.25Å; L295-L343 HydrophobicContact CD1-CD1 3.87Å; L295-L343 HydrophobicContact CD2-CD1 3.82Å; L295-L343 HydrophobicContact CD2-CD2 3.95Å; L295-L343 HydrophobicContact CD2-CG 4.39Å
296I98.9Very high98.1Very high0 Ų033.1 Ų33.10%015%0.147CC..EExtended strand (participates in β ladder)trans-112133.2167.4-56.2107.3000108.8M243 Q245 L249 L288 P293 P314 E315 I316M243-I296 HydrophobicContact CB-CG1 4.1Å; M243-I296 CarbonylContact O-C 3.25Å; M243-I296 WeakPolarHBondContact O-CA 3.1Å; M243-I296 HydrophobicContact SD-CG1 4.3Å; Q245-I296 HydrophobicContact CG-CG2 4.45Å; L249-I296 HydrophobicContact CD1-CD1 3.81Å; L249-I296 HydrophobicContact CD1-CG1 4.1Å; L288-I296 HydrophobicContact CD2-CD1 4.08Å; P293-I296 HydrophobicContact CB-CG1 4.32Å; P293-I296 HydrophobicContact CG-CD1 3.81Å; P293-I296 HydrophobicContact CG-CG1 3.77Å; I296-P314 PolarHBondContact N-O 3.25Å; I296-E315 HydrophobicContact CB-CB 3.97Å; I296-E315 HydrophobicContact CB-CG 3.98Å; I296-E315 HydrophobicContact CD1-CB 4.41Å; I296-E315 HydrophobicContact CG2-CB 4.41Å; I296-E315 HydrophobicContact CG2-CG 3.9Å; I296-E315 CarbonylContact O-C 3.57Å; I296-E315 VanDerWaalsContact O-CA 3.31Å; I296-E315 WeakPolarHBondContact O-CA 3.3Å; I296-I316 PolarHBondContact O-N 3.27Å
297L98.9Very high98.1Very high3 Ų329.1 Ų29.12%0.01614%0.135CC..EExtended strand (participates in β ladder)trans-118.2123.1168.2-57.7176000108.4V64 L107 M243 L244 Q245 L295 I316 V318V64-L297 HydrophobicContact CB-CD1 4.32Å; V64-L297 HydrophobicContact CG1-CD1 4.15Å; V64-L297 HydrophobicContact CG2-CD1 3.79Å; L107-L297 HydrophobicContact CD1-CB 3.93Å; M243-L297 PolarHBondContact O-N 2.89Å; L244-L297 WeakPolarHBondContact CA-O 3.18Å; L244-L297 HydrophobicContact CD2-CB 3.8Å; L244-L297 HydrophobicContact CD2-CD1 3.84Å; L244-L297 HydrophobicContact CD2-CG 4.16Å; Q245-L297 PolarHBondContact N-O 3.49Å; L295-L297 HydrophobicContact CD1-CD2 4.22Å; L295-L297 HydrophobicContact CD2-CD1 4.27Å; L295-L297 HydrophobicContact CD2-CD2 4.02Å; L295-L297 HydrophobicContact CD2-CG 4.06Å; L295-L297 HydrophobicContact CG-CD2 4.14Å; L295-L297 HydrophobicContact CG-CG 4.2Å; L297-I316 WeakPolarHBondContact CA-O 3.27Å; L297-I316 HydrophobicContact CD2-CB 3.86Å; L297-I316 HydrophobicContact CD2-CD1 4.39Å; L297-V318 HydrophobicContact CB-CG2 4.36Å
298S98.8Very high98.1Very high0 Ų033.7 Ų33.70%016%0.159CC..EExtended strand (participates in β ladder)trans-122.1173.8-179.754.80000111.9L107 Q245 E315 I316 S317 V318L107-S298 WeakPolarHBondContact CD1-O 3.07Å; Q245-S298 VanDerWaalsContact O-CA 3.31Å; Q245-S298 WeakPolarHBondContact O-CA 3.37Å; S298-E315 VanDerWaalsContact CB-OE1 3.23Å; S298-E315 WeakPolarHBondContact CB-OE1 3.42Å; S298-E315 PolarHBondContact OG-OE1 3.22Å; S298-I316 PolarHBondContact N-O 3.48Å; S298-S317 CarbonylContact O-C 3.15Å; S298-S317 WeakPolarHBondContact O-CA 3.33Å; S298-S317 PolarHBondContact OG-OG 3.38Å; S298-V318 WeakPolarHBondContact O-CB 3.37Å; S298-V318 PolarHBondContact O-N 3.45Å
299G98.6Very high98.1Very high0 Ų034.5 Ų34.50%016%0.162CC..  trans-129.6-133.217900000112.1S66 H246 T301S66-G299 WeakPolarHBondContact OG-CA 3.03Å; H246-G299 CarbonylContact O-C 3.09Å; H246-G299 VanDerWaalsContact O-C 3.25Å; H246-G299 WeakPolarHBondContact O-CA 3.45Å; H246-G299 PolarHBondContact O-N 2.67Å; G299-T301 PolarHBondContact O-N 3.26Å
300H98.4Very high98Very high21 Ų2133.1 Ų33.110%0.09716%0.159CC..SBendtrans70.1-49163.7-174.970.3000117D67 N147 H246 Y247 Y276 D277 H302D67-H300 WeakPolarHBondContact OD1-CA 3.35Å; D67-H300 PolarHBondContact OD1-N 3.37Å; D67-H300 VanDerWaalsContact OD1-N 3.1Å; D67-H300 PolarHBondContact OD2-N 3.5Å; N147-H300 PolarHBondContact OD1-CE1 3.38Å; N147-H300 PolarHBondContact OD1-ND1 2.85Å; N147-H300 VanDerWaalsContact OD1-ND1 3.1Å; H246-H300 AromaticContact CD2-ND1 3.93Å; H246-H300 AromaticContact NE2-CG 3.77Å; H246-H300 AromaticContact NE2-ND1 3.22Å; H246-H300 PolarHBondContact NE2-ND1 3.15Å; H246-H300 WeakPolarHBondContact O-CB 3.1Å; Y247-H300 HydrophobicContact CD1-CB 4.01Å; Y247-H300 AromaticContact CD1-CG 3.61Å; Y247-H300 AromaticContact CD1-ND1 3.66Å; Y247-H300 AromaticContact CE1-CE1 3.48Å; Y247-H300 VanDerWaalsContact CE1-CE1 3.48Å; Y247-H300 WeakPolarHBondContact CE1-CE1 3.26Å; Y247-H300 AromaticContact CE1-CG 3.79Å; Y247-H300 AromaticContact CE1-ND1 3.34Å; Y247-H300 VanDerWaalsContact CE1-ND1 3.34Å; Y247-H300 WeakPolarHBondContact CE1-ND1 3.43Å; Y276-H300 PolarHBondContact O-NE2 3.08Å; D277-H300 PolarHBondContact O-CD2 3.21Å; D277-H300 VanDerWaalsContact O-CD2 3.23Å; H300-H302 PolarHBondContact O-CD2 3.25Å; H300-H302 PolarHBondContact O-N 3.16Å
301T96.8Very high97.9Very high25 Ų2537.5 Ų37.515%0.15319%0.186CC..SBendtrans-70.6-4.3-179.657.80000113.2P248 F272 G299 S303P248-T301 HydrophobicContact CG-CG2 3.85Å; F272-T301 HydrophobicContact CE2-CG2 4.48Å; F272-T301 HydrophobicContact CZ-CG2 3.98Å; G299-T301 PolarHBondContact O-N 3.26Å; T301-S303 PolarHBondContact O-N 2.65Å; T301-S303 PolarHBondContact O-OG 3.01Å; T301-S303 PolarHBondContact OG1-O 3.14Å
302H98Very high97.8Very high48 Ų4843.1 Ų43.122%0.22221%0.211CC..SBendtrans58-7.5-169.6-52.8160.9000114.3D67 H69 H300 P319 S320 N325 R326D67-H302 IonicContact OD1-CD2 3.33Å; D67-H302 IonicContact OD2-CD2 3.07Å; H69-H302 AromaticContact CE1-NE2 3.85Å; H69-H302 AromaticContact NE2-CE1 3.99Å; H69-H302 AromaticContact NE2-NE2 3.21Å; H69-H302 PolarHBondContact NE2-NE2 2.58Å; H300-H302 PolarHBondContact O-CD2 3.25Å; H300-H302 PolarHBondContact O-N 3.16Å; H302-P319 CarbonylContact O-C 3.47Å; H302-P319 VanDerWaalsContact O-CA 3.25Å; H302-P319 WeakPolarHBondContact O-CA 3.29Å; H302-P319 WeakPolarHBondContact O-CB 3.28Å; H302-S320 PolarHBondContact O-N 3.06Å; H302-N325 HydrophobicContact CB-CB 4.13Å; H302-R326 PolarHBondContact O-NE 2.97Å; H302-R326 PolarHBondContact O-NH1 2.6Å; H302-R326 VanDerWaalsContact O-NH1 3.15Å; H302-R326 PolarHBondContact O-NH2 3.48Å
303S97.6Very high97.9Very high4 Ų438.8 Ų38.83%0.02819%0.191CC..SBendtrans-112.4147.5-168.7-62.80000113.3T301 C305 R326T301-S303 PolarHBondContact O-N 2.65Å; T301-S303 PolarHBondContact O-OG 3.01Å; T301-S303 PolarHBondContact OG1-O 3.14Å; S303-C305 PolarHBondContact O-N 3.08Å; S303-R326 VanDerWaalsContact CA-NH2 3.28Å; S303-R326 PolarHBondContact OG-NH2 3.47Å
304G97.6Very high97.9Very high1 Ų140.6 Ų40.61%0.0120%0.203CC..  trans-73.6122.1175.700000109.4D261 A262 S317D261-G304 PolarHBondContact O-N 3.21Å; D261-G304 WeakPolarHBondContact OD2-CA 3.41Å; A262-G304 WeakPolarHBondContact CA-O 3.09Å; G304-S317 WeakPolarHBondContact CA-O 3.27Å
305C98.1Very high98Very high1 Ų138.6 Ų38.61%0.00720%0.196CC..EExtended strand (participates in β ladder)trans-141.9142.8170.7-173.20000110.9C257 S303 V307 I316 S317C257-C305 HydrophobicContact CB-CB 3.73Å; C257-C305 WeakPolarHBondContact CB-SG 3.48Å; C257-C305 WeakPolarHBondContact SG-CB 3.36Å; C257-C305 CovalentContact SG-SG 2.01Å; C257-C305 PolarHBondContact SG-SG 3.47Å; S303-C305 PolarHBondContact O-N 3.08Å; C305-V307 VanDerWaalsContact SG-CG2 3.51Å; C305-I316 CarbonylContact O-C 3.59Å; C305-I316 VanDerWaalsContact O-CA 3.28Å; C305-I316 WeakPolarHBondContact O-CA 3.37Å; C305-S317 PolarHBondContact N-O 3.29Å; C305-S317 PolarHBondContact O-N 3.39Å
306E97.9Very high98Very high132 Ų13239.2 Ų39.262%0.61720%0.199SC*.EExtended strand (participates in β ladder)trans-116.7125.3172.1-52.3-169.7178.500108.5E315 I316E306-E315 WeakPolarHBondContact CA-O 3.35Å; E306-I316 HydrophobicContact CG-CG1 4.14Å
307V98Very high97.9Very high29 Ų2939.2 Ų39.218%0.17620%0.199CC..EExtended strand (participates in β ladder)trans-132.7138.1-178.2-177.60000109.2C305 E315C305-V307 VanDerWaalsContact SG-CG2 3.51Å; V307-E315 PolarHBondContact N-O 2.75Å; V307-E315 PolarHBondContact O-N 2.89Å
308L98.1Very high97.9Very high97 Ų9739.1 Ų39.151%0.50820%0.198SC..EExtended strand (participates in β ladder)trans-106.2104.5173.6-174.266.1000109.6P314L308-P314 HydrophobicContact CD1-CB 4.31Å
309H98.1Very high97.9Very high20 Ų2039.1 Ų39.19%0.09320%0.198CC..EExtended strand (participates in β ladder)trans-80.3136.7178.9-64.4-82.6000111.1Y250 L288 N311 K312 Y313 E315Y250-H309 PolarHBondContact O-CE1 2.95Å; L288-H309 HydrophobicContact CD1-CB 4.05Å; H309-N311 PolarHBondContact O-N 3.38Å; H309-K312 PolarHBondContact O-N 3.34Å; H309-Y313 PolarHBondContact N-O 3.03Å; H309-Y313 PolarHBondContact O-N 2.94Å; H309-E315 IonicContact CD2-OE2 3.62Å; H309-E315 IonicContact CE1-OE2 3.52Å; H309-E315 IonicContact NE2-OE2 3.46Å; H309-E315 PolarHBondContact NE2-OE2 2.81Å
310D96.2Very high97.9Very high92 Ų9239.1 Ų39.149%0.49220%0.198SC..THydrogen-bonded Turntrans49.431-179.1-56.5-23.6000113.6Q285 K312 Y313Q285-D310 PolarHBondContact NE2-OD1 2.97Å; Q285-D310 PolarHBondContact NE2-OD2 3.11Å; D310-K312 WeakPolarHBondContact O-CB 3.4Å; D310-K312 PolarHBondContact O-N 3.1Å; D310-K312 VanDerWaalsContact O-N 3.07Å; D310-Y313 HydrophobicContact CB-CD2 4.29Å; D310-Y313 HydrophobicContact CB-CE2 4.46Å
311N96.3Very high97.9Very high147 Ų14738.1 Ų38.179%0.78619%0.194SC*.THydrogen-bonded Turntrans53.323.1-173.1-63-45.5000114.5H309H309-N311 PolarHBondContact O-N 3.38Å
312K97Very high97.9Very high127 Ų12737 Ų3755%0.55219%0.186SC*.THydrogen-bonded Turntrans-141.4-39.9-168.7-175.4178.4174.6-165.60114.6H309 D310 P314H309-K312 PolarHBondContact O-N 3.34Å; D310-K312 WeakPolarHBondContact O-CB 3.4Å; D310-K312 PolarHBondContact O-N 3.1Å; D310-K312 VanDerWaalsContact O-N 3.07Å; K312-P314 VanDerWaalsContact O-CD 3.28Å; K312-P314 WeakPolarHBondContact O-CD 3.42Å
313Y98.3Very high97.9Very high23 Ų2334.9 Ų34.99%0.0918%0.177CC..EExtended strand (participates in β ladder)trans-106.8100.7-169.9-54.2-66.1000110.2L288 K292 P293 H309 D310 E315L288-Y313 HydrophobicContact CB-CD2 4.29Å; L288-Y313 HydrophobicContact CB-CE2 4.14Å; L288-Y313 HydrophobicContact CD1-CD2 3.93Å; L288-Y313 HydrophobicContact CD1-CE2 4.43Å; L288-Y313 HydrophobicContact CD2-CD1 4.42Å; L288-Y313 HydrophobicContact CD2-CD2 3.64Å; L288-Y313 HydrophobicContact CD2-CE2 4.27Å; L288-Y313 HydrophobicContact CD2-CG 3.7Å; L288-Y313 HydrophobicContact CG-CD2 4.16Å; K292-Y313 HydrophobicContact CB-CE1 4.2Å; P293-Y313 WeakPolarHBondContact O-CD1 3.33Å; H309-Y313 PolarHBondContact N-O 3.03Å; H309-Y313 PolarHBondContact O-N 2.94Å; D310-Y313 HydrophobicContact CB-CD2 4.29Å; D310-Y313 HydrophobicContact CB-CE2 4.46Å; Y313-E315 PolarHBondContact O-N 3.29Å
314P98.3Very high97.7Very high39 Ų3940.9 Ų40.925%0.25320%0.199SC..EExtended strand (participates in β ladder)trans-71.6129179.528.8-32.9000110R294 L295 I296 L308 K312R294-P314 WeakPolarHBondContact O-CG 3.5Å; L295-P314 HydrophobicContact CD1-CB 4.49Å; L295-P314 HydrophobicContact CD1-CG 4.32Å; I296-P314 PolarHBondContact N-O 3.25Å; L308-P314 HydrophobicContact CD1-CB 4.31Å; K312-P314 VanDerWaalsContact O-CD 3.28Å; K312-P314 WeakPolarHBondContact O-CD 3.42Å
315E98.8Very high97.6Very high1 Ų142.9 Ų42.91%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-114.8137.9169.9178.9176.5-158.200110P248 L249 R251 I296 S298 E306 V307 H309 Y313P248-E315 WeakPolarHBondContact CA-OE1 3.5Å; P248-E315 WeakPolarHBondContact CB-OE1 2.82Å; L249-E315 WeakPolarHBondContact CB-OE2 3.42Å; L249-E315 PolarHBondContact N-OE1 2.81Å; L249-E315 PolarHBondContact N-OE2 3.1Å; R251-E315 IonicContact NH1-OE2 2.74Å; I296-E315 HydrophobicContact CB-CB 3.97Å; I296-E315 HydrophobicContact CB-CG 3.98Å; I296-E315 HydrophobicContact CD1-CB 4.41Å; I296-E315 HydrophobicContact CG2-CB 4.41Å; I296-E315 HydrophobicContact CG2-CG 3.9Å; I296-E315 CarbonylContact O-C 3.57Å; I296-E315 VanDerWaalsContact O-CA 3.31Å; I296-E315 WeakPolarHBondContact O-CA 3.3Å; S298-E315 VanDerWaalsContact CB-OE1 3.23Å; S298-E315 WeakPolarHBondContact CB-OE1 3.42Å; S298-E315 PolarHBondContact OG-OE1 3.22Å; E306-E315 WeakPolarHBondContact CA-O 3.35Å; V307-E315 PolarHBondContact N-O 2.75Å; V307-E315 PolarHBondContact O-N 2.89Å; H309-E315 IonicContact CD2-OE2 3.62Å; H309-E315 IonicContact CE1-OE2 3.52Å; H309-E315 IonicContact NE2-OE2 3.46Å; H309-E315 PolarHBondContact NE2-OE2 2.81Å; Y313-E315 PolarHBondContact O-N 3.29Å
316I98.6Very high97.4Very high14 Ų1444.2 Ų44.27%0.07221%0.214CC..EExtended strand (participates in β ladder)trans-123.5118.7169.4-60.1164.5000108.9L295 I296 L297 S298 C305 E306 V318 L343L295-I316 HydrophobicContact CD1-CD1 4.25Å; I296-I316 PolarHBondContact O-N 3.27Å; L297-I316 WeakPolarHBondContact CA-O 3.27Å; L297-I316 HydrophobicContact CD2-CB 3.86Å; L297-I316 HydrophobicContact CD2-CD1 4.39Å; S298-I316 PolarHBondContact N-O 3.48Å; C305-I316 CarbonylContact O-C 3.59Å; C305-I316 VanDerWaalsContact O-CA 3.28Å; C305-I316 WeakPolarHBondContact O-CA 3.37Å; E306-I316 HydrophobicContact CG-CG1 4.14Å; I316-V318 PolarHBondContact O-N 2.89Å; I316-L343 HydrophobicContact CD1-CD1 3.1Å; I316-L343 HydrophobicContact CD1-CG 4.48Å
317S98.6Very high97.3Very high0 Ų040.7 Ų40.70%020%0.2CC..EExtended strand (participates in β ladder)trans-77.3115.1165.7-61.40000108.3R251 S298 G304 C305R251-S317 PolarHBondContact NH1-OG 2.94Å; R251-S317 PolarHBondContact NH2-OG 2.81Å; R251-S317 VanDerWaalsContact NH2-OG 3.08Å; S298-S317 CarbonylContact O-C 3.15Å; S298-S317 WeakPolarHBondContact O-CA 3.33Å; S298-S317 PolarHBondContact OG-OG 3.38Å; G304-S317 WeakPolarHBondContact CA-O 3.27Å; C305-S317 PolarHBondContact N-O 3.29Å; C305-S317 PolarHBondContact O-N 3.39Å
318V98.7Very high97.3Very high0 Ų040.4 Ų40.40%020%0.197CC..PPolyproline II helixtrans-76.4123.7177.9-178.50000107.4V64 S66 L107 L297 S298 I316 I332V64-V318 HydrophobicContact CG1-CG2 3.99Å; S66-V318 WeakPolarHBondContact CB-O 3.36Å; L107-V318 HydrophobicContact CD1-CB 4.16Å; L107-V318 HydrophobicContact CD1-CG2 3.74Å; L297-V318 HydrophobicContact CB-CG2 4.36Å; S298-V318 WeakPolarHBondContact O-CB 3.37Å; S298-V318 PolarHBondContact O-N 3.45Å; I316-V318 PolarHBondContact O-N 2.89Å; V318-I332 HydrophobicContact CG1-CG1 4.3Å; V318-I332 HydrophobicContact CG2-CG1 3.94Å
319P98Very high97.3Very high0 Ų035.8 Ų35.80%017%0.173CC..PPolyproline II helixtrans-69.9164.6-179.430.5-37.4000112.1D261 H302 F321 S330D261-P319 WeakPolarHBondContact OD2-CG 3.46Å; H302-P319 CarbonylContact O-C 3.47Å; H302-P319 VanDerWaalsContact O-CA 3.25Å; H302-P319 WeakPolarHBondContact O-CA 3.29Å; H302-P319 WeakPolarHBondContact O-CB 3.28Å; P319-F321 PolarHBondContact O-N 2.71Å; P319-S330 WeakPolarHBondContact CG-OG 3.36Å
320S98.4Very high97.3Very high0 Ų034.8 Ų34.80%017%0.168CC..BIsolated β-bridgetrans-60.2138.2176.4176.90000111.8S66 D67 H302 S322 N325 P329S66-S320 WeakPolarHBondContact O-CA 3.3Å; D67-S320 PolarHBondContact O-OG 3.44Å; H302-S320 PolarHBondContact O-N 3.06Å; S320-S322 VanDerWaalsContact C-N 3.26Å; S320-S322 PolarHBondContact OG-N 2.71Å; S320-N325 PolarHBondContact OG-ND2 2.9Å; S320-N325 VanDerWaalsContact OG-ND2 3.13Å; S320-P329 WeakPolarHBondContact O-CA 3.33Å; S320-P329 WeakPolarHBondContact O-CB 3.44Å
321F98.4Very high97.4Very high1 Ų130.4 Ų30.40%0.00415%0.145CC..SBendtrans-79.8-7.2175-168-106.3000113.3L65 S66 T68 Q87 M88 A91 F92 P319 F331 L348L65-F321 HydrophobicContact CB-CB 4.48Å; L65-F321 HydrophobicContact CB-CD2 4.45Å; L65-F321 HydrophobicContact CD1-CD1 4.44Å; L65-F321 HydrophobicContact CD1-CD2 4.29Å; L65-F321 HydrophobicContact CD1-CE1 4.44Å; L65-F321 HydrophobicContact CD1-CE2 4.25Å; L65-F321 HydrophobicContact CD1-CG 4.36Å; L65-F321 HydrophobicContact CD1-CZ 4.34Å; L65-F321 HydrophobicContact CD2-CD2 3.67Å; L65-F321 HydrophobicContact CD2-CE2 3.66Å; L65-F321 HydrophobicContact CD2-CG 4.44Å; L65-F321 HydrophobicContact CD2-CZ 4.46Å; L65-F321 HydrophobicContact CG-CD2 4.35Å; S66-F321 PolarHBondContact O-N 2.87Å; T68-F321 HydrophobicContact CG2-CB 4.31Å; T68-F321 HydrophobicContact CG2-CD1 4.47Å; Q87-F321 PolarHBondContact NE2-O 2.78Å; M88-F321 HydrophobicContact CB-CD1 4.27Å; M88-F321 HydrophobicContact CB-CE1 4.18Å; M88-F321 HydrophobicContact CG-CD1 3.95Å; M88-F321 HydrophobicContact CG-CE1 4.32Å; M88-F321 HydrophobicContact SD-CD1 4.46Å; A91-F321 HydrophobicContact CB-CE1 4.07Å; A91-F321 HydrophobicContact CB-CZ 3.67Å; F92-F321 HydrophobicContact CB-CE1 4.2Å; F92-F321 HydrophobicContact CB-CZ 4.17Å; P319-F321 PolarHBondContact O-N 2.71Å; F321-F331 HydrophobicContact CD2-CB 4.22Å; F321-F331 HydrophobicContact CD2-CD1 4.28Å; F321-F331 HydrophobicContact CE2-CB 4.36Å; F321-F331 AromaticContact CE2-CD1 3.75Å; F321-F331 HydrophobicContact CE2-CD1 3.75Å; F321-F331 HydrophobicContact CE2-CE1 4.43Å; F321-F331 HydrophobicContact CE2-CG 4.33Å; F321-L348 HydrophobicContact CD2-CD1 3.86Å; F321-L348 HydrophobicContact CE1-CD1 4.49Å; F321-L348 HydrophobicContact CE2-CD1 3.63Å; F321-L348 HydrophobicContact CE2-CD2 4.49Å; F321-L348 HydrophobicContact CE2-CG 4.44Å; F321-L348 HydrophobicContact CG-CD1 4.42Å; F321-L348 HydrophobicContact CZ-CD1 3.96Å
322S97.3Very high97.5Very high0 Ų023.6 Ų23.60%011%0.108CC..SBendtrans-108.4137-170.8-178.50000112.1T68 S320 R324 N325T68-S322 WeakPolarHBondContact O-CB 3.5Å; S320-S322 VanDerWaalsContact C-N 3.26Å; S320-S322 PolarHBondContact OG-N 2.71Å; S322-R324 PolarHBondContact O-N 2.89Å; S322-R324 WeakPolarHBondContact OG-CB 3.49Å; S322-R324 PolarHBondContact OG-N 3.39Å; S322-N325 PolarHBondContact O-N 3.14Å
323W97.1Very high97.6Very high4 Ų417.6 Ų17.62%0.0158%0.082CC..THydrogen-bonded Turntrans-61.6-12.6170-74.1-39.3000113.7Y30 R83 R84 Q87 N325 R326 P329 P349 E351 V354Y30-W323 WeakPolarHBondContact OH-CH2 3.42Å; R83-W323 VanDerWaalsContact NH2-CZ3 3.26Å; R84-W323 PolarHBondContact NH1-O 3.22Å; R84-W323 VanDerWaalsContact NH1-O 3.14Å; Q87-W323 HydrophobicContact CB-CD2 4.05Å; Q87-W323 HydrophobicContact CB-CE3 3.4Å; Q87-W323 VanDerWaalsContact CB-CE3 3.4Å; Q87-W323 HydrophobicContact CB-CH2 4.06Å; Q87-W323 HydrophobicContact CB-CZ3 3.39Å; Q87-W323 HydrophobicContact CG-CD2 3.52Å; Q87-W323 HydrophobicContact CG-CE3 3.42Å; Q87-W323 VanDerWaalsContact CG-CE3 3.42Å; Q87-W323 HydrophobicContact CG-CG 4.21Å; Q87-W323 HydrophobicContact CG-CH2 3.76Å; Q87-W323 HydrophobicContact CG-CZ2 3.88Å; Q87-W323 HydrophobicContact CG-CZ3 3.52Å; W323-N325 PolarHBondContact O-N 3.28Å; W323-R326 CarbonylContact C-O 3.57Å; W323-R326 VanDerWaalsContact CA-O 3.26Å; W323-R326 WeakPolarHBondContact CA-O 3.46Å; W323-P329 HydrophobicContact CG-CG 4.26Å; W323-P349 VanDerWaalsContact CE2-O 3.32Å; W323-P349 HydrophobicContact CZ2-CB 4.27Å; W323-P349 WeakPolarHBondContact CZ2-O 3.4Å; W323-P349 PolarHBondContact NE1-O 3.23Å; W323-E351 HydrophobicContact CB-CB 4.36Å; W323-E351 HydrophobicContact CD2-CB 3.92Å; W323-E351 HydrophobicContact CD2-CG 4.32Å; W323-E351 HydrophobicContact CE3-CG 4.47Å; W323-E351 HydrophobicContact CG-CB 3.86Å; W323-E351 HydrophobicContact CG-CG 4.49Å; W323-V354 HydrophobicContact CH2-CG2 3.91Å; W323-V354 HydrophobicContact CZ2-CG2 4.12Å
324R94Very high97.6Very high131 Ų13116.6 Ų16.649%0.4948%0.079SC..THydrogen-bonded Turntrans-63.9-35.2-179.7-179.255.6-17587.12112.1D80 R84 S322D80-R324 VanDerWaalsContact OD2-CD 3.24Å; D80-R324 WeakPolarHBondContact OD2-CD 3.25Å; D80-R324 IonicContact OD2-NE 2.95Å; D80-R324 PolarHBondContact OD2-NE 2.91Å; R84-R324 HydrophobicContact CG-CB 4.07Å; S322-R324 PolarHBondContact O-N 2.89Å; S322-R324 WeakPolarHBondContact OG-CB 3.49Å; S322-R324 PolarHBondContact OG-N 3.39Å
325N94.9Very high97.5Very high43 Ų4315.2 Ų15.223%0.237%0.07CC..THydrogen-bonded Turntrans-101.5-14.9-171.7-65.1-25.3000112H69 H302 S320 S322 W323H69-N325 PolarHBondContact CD2-ND2 3.48Å; H302-N325 HydrophobicContact CB-CB 4.13Å; S320-N325 PolarHBondContact OG-ND2 2.9Å; S320-N325 VanDerWaalsContact OG-ND2 3.13Å; S322-N325 PolarHBondContact O-N 3.14Å; W323-N325 PolarHBondContact O-N 3.28Å
326R94.9Very high97.5Very high29 Ų2915.2 Ų15.211%0.1097%0.07CC..  trans-167.6154.4179.545.6-177.540.8-150.9-22.7114.7D261 H302 S303 W323 N328 P329D261-R326 PolarHBondContact O-NH1 2.91Å; D261-R326 PolarHBondContact O-NH2 3.22Å; H302-R326 PolarHBondContact O-NE 2.97Å; H302-R326 PolarHBondContact O-NH1 2.6Å; H302-R326 VanDerWaalsContact O-NH1 3.15Å; H302-R326 PolarHBondContact O-NH2 3.48Å; S303-R326 VanDerWaalsContact CA-NH2 3.28Å; S303-R326 PolarHBondContact OG-NH2 3.47Å; W323-R326 CarbonylContact C-O 3.57Å; W323-R326 VanDerWaalsContact CA-O 3.26Å; W323-R326 WeakPolarHBondContact CA-O 3.46Å; R326-N328 PolarHBondContact O-N 3.24Å; R326-P329 HydrophobicContact CG-CB 4.39Å
327N96.4Very high97.3Very high58 Ų5815.6 Ų15.631%0.317%0.074SC..SBendtrans-66.6-35.7176.9-177.656.6000113.3P329 E350 E351 S352N327-P329 VanDerWaalsContact C-CD 3.42Å; N327-P329 VanDerWaalsContact O-CD 3.27Å; N327-P329 WeakPolarHBondContact O-CD 3.36Å; N327-E350 PolarHBondContact ND2-OE2 2.92Å; N327-E350 CarbonylContact O-C 3.59Å; N327-E350 WeakPolarHBondContact O-CA 3.38Å; N327-E351 PolarHBondContact O-N 2.68Å; N327-E351 PolarHBondContact OD1-N 3.34Å; N327-S352 PolarHBondContact ND2-OG 3.17Å; N327-S352 VanDerWaalsContact ND2-OG 3.1Å; N327-S352 VanDerWaalsContact OD1-CB 3.27Å; N327-S352 WeakPolarHBondContact OD1-CB 3.3Å; N327-S352 PolarHBondContact OD1-N 2.83Å; N327-S352 PolarHBondContact OD1-OG 3.47Å
328N96.4Very high97Very high22 Ų2218.1 Ų18.112%0.1189%0.09CC..SBendtrans-121.163.9-171.862.2-19.7000113Q260 R326 F347 E350Q260-N328 PolarHBondContact O-ND2 2.7Å; R326-N328 PolarHBondContact O-N 3.24Å; N328-F347 HydrophobicContact CB-CD1 4.38Å; N328-E350 HydrophobicContact CB-CG 3.93Å
329P97.9Very high96.5Very high0 Ų021.8 Ų21.80%013%0.128CC..  trans-60.1152-179.823.9-29.8000111S320 W323 R326 N327 L348S320-P329 WeakPolarHBondContact O-CA 3.33Å; S320-P329 WeakPolarHBondContact O-CB 3.44Å; W323-P329 HydrophobicContact CG-CG 4.26Å; R326-P329 HydrophobicContact CG-CB 4.39Å; N327-P329 VanDerWaalsContact C-CD 3.42Å; N327-P329 VanDerWaalsContact O-CD 3.27Å; N327-P329 WeakPolarHBondContact O-CD 3.36Å; P329-L348 HydrophobicContact CB-CD1 4.21Å; P329-L348 HydrophobicContact CG-CB 4.07Å; P329-L348 HydrophobicContact CG-CD1 4.17Å; P329-L348 WeakPolarHBondContact O-CB 3.24Å; P329-L348 PolarHBondContact O-N 3.35Å
330S97.8Very high96.2Very high0 Ų022.9 Ų22.90%014%0.14CC..EExtended strand (participates in β ladder)trans-151.3172.9179.578.50000111.3P319 C346P319-S330 WeakPolarHBondContact CG-OG 3.36Å; S330-C346 CarbonylContact C-O 3.54Å; S330-C346 VanDerWaalsContact CA-O 3.23Å; S330-C346 WeakPolarHBondContact CA-O 3.24Å; S330-C346 WeakPolarHBondContact CB-O 3.23Å
331F98.6Very high96.1Very high0 Ų025.4 Ų25.40%015%0.151CC..EExtended strand (participates in β ladder)trans-141.5163.6175.160.1-88.6000111M63 V64 L65 A95 L99 F321 L333 C346 L348M63-F331 HydrophobicContact CG-CD2 3.66Å; M63-F331 HydrophobicContact CG-CE2 3.98Å; M63-F331 HydrophobicContact SD-CD2 3.95Å; M63-F331 HydrophobicContact SD-CE2 3.78Å; M63-F331 HydrophobicContact SD-CZ 4.41Å; V64-F331 WeakPolarHBondContact O-CB 3.28Å; L65-F331 HydrophobicContact CD2-CB 3.33Å; L65-F331 HydrophobicContact CD2-CD2 4.39Å; L65-F331 HydrophobicContact CD2-CG 3.88Å; A95-F331 HydrophobicContact CB-CE1 4.38Å; A95-F331 HydrophobicContact CB-CZ 3.94Å; L99-F331 HydrophobicContact CD1-CE2 3.84Å; L99-F331 HydrophobicContact CD1-CZ 3.75Å; F321-F331 HydrophobicContact CD2-CB 4.22Å; F321-F331 HydrophobicContact CD2-CD1 4.28Å; F321-F331 HydrophobicContact CE2-CB 4.36Å; F321-F331 AromaticContact CE2-CD1 3.75Å; F321-F331 HydrophobicContact CE2-CD1 3.75Å; F321-F331 HydrophobicContact CE2-CE1 4.43Å; F321-F331 HydrophobicContact CE2-CG 4.33Å; F331-L333 HydrophobicContact CD2-CD2 4.12Å; F331-L333 HydrophobicContact CD2-CG 4.4Å; F331-L333 HydrophobicContact CE2-CD2 3.68Å; F331-L333 HydrophobicContact CE2-CG 4.01Å; F331-C346 HydrophobicContact CD1-CB 4.21Å; F331-C346 WeakPolarHBondContact CD1-O 3.3Å; F331-C346 HydrophobicContact CD2-CB 4Å; F331-C346 HydrophobicContact CE1-CB 3.84Å; F331-C346 VanDerWaalsContact CE1-SG 3.58Å; F331-C346 HydrophobicContact CE2-CB 3.62Å; F331-C346 HydrophobicContact CG-CB 4.29Å; F331-C346 HydrophobicContact CZ-CB 3.55Å; F331-C346 WeakPolarHBondContact CZ-SG 3.48Å; F331-C346 PolarHBondContact N-O 3.46Å; F331-C346 PolarHBondContact O-N 2.98Å; F331-L348 HydrophobicContact CD1-CD2 4.11Å; F331-L348 HydrophobicContact CD1-CG 4.35Å; F331-L348 HydrophobicContact CE1-CD2 3.72Å; F331-L348 HydrophobicContact CE1-CG 4.42Å
332I98.7Very high96.1Very high4 Ų426.9 Ų26.92%0.02116%0.161CC..EExtended strand (participates in β ladder)trans-99.8134.3179.2-58.9-58.8000110.4M63 V64 V318 L343 K345M63-I332 CarbonylContact C-O 3.59Å; M63-I332 WeakPolarHBondContact CA-O 3.46Å; V64-I332 HydrophobicContact CB-CB 4.28Å; V64-I332 PolarHBondContact N-O 2.88Å; V64-I332 PolarHBondContact O-N 3.32Å; V318-I332 HydrophobicContact CG1-CG1 4.3Å; V318-I332 HydrophobicContact CG2-CG1 3.94Å; I332-L343 HydrophobicContact CG2-CB 4.3Å; I332-L343 HydrophobicContact CG2-CD2 4.08Å; I332-K345 HydrophobicContact CD1-CB 3.92Å; I332-K345 HydrophobicContact CD1-CG 4.01Å
333L98.7Very high96.1Very high0 Ų029 Ų290%017%0.173CC..EExtended strand (participates in β ladder)trans-100.6124.6163-63.3-179.3000108.7C37 W39 M63 L99 F331 L343 S344C37-L333 HydrophobicContact CB-CD1 4.12Å; W39-L333 HydrophobicContact CE3-CB 3.96Å; W39-L333 HydrophobicContact CE3-CD2 4.3Å; W39-L333 HydrophobicContact CH2-CD2 3.58Å; W39-L333 HydrophobicContact CZ2-CD2 3.96Å; W39-L333 HydrophobicContact CZ3-CB 3.91Å; W39-L333 HydrophobicContact CZ3-CD2 3.77Å; W39-L333 HydrophobicContact CZ3-CG 4.4Å; M63-L333 HydrophobicContact CB-CD2 4.28Å; M63-L333 HydrophobicContact CG-CD2 4.17Å; L99-L333 HydrophobicContact CD1-CD1 4.08Å; L99-L333 HydrophobicContact CD1-CD2 4.14Å; L99-L333 HydrophobicContact CD2-CD1 4.11Å; F331-L333 HydrophobicContact CD2-CD2 4.12Å; F331-L333 HydrophobicContact CD2-CG 4.4Å; F331-L333 HydrophobicContact CE2-CD2 3.68Å; F331-L333 HydrophobicContact CE2-CG 4.01Å; L333-L343 CarbonylContact O-C 3.59Å; L333-L343 WeakPolarHBondContact O-CA 3.36Å; L333-S344 WeakPolarHBondContact CB-OG 3.18Å; L333-S344 PolarHBondContact N-O 3.35Å; L333-S344 PolarHBondContact O-N 3.37Å
334A98.3Very high96.1Very high3 Ų330.3 Ų30.33%0.02518%0.182CC..EExtended strand (participates in β ladder)trans-120.4120.4-179.800000110.3A62 V336 S342 L343A62-A334 HydrophobicContact CB-CB 4.24Å; A62-A334 PolarHBondContact N-O 2.99Å; A62-A334 PolarHBondContact O-N 3.03Å; A334-V336 HydrophobicContact CB-CG2 3.75Å; A334-S342 WeakPolarHBondContact CA-O 3.48Å; A334-L343 HydrophobicContact CB-CD2 3.34Å
335S98Very high96.2Very high9 Ų926.7 Ų26.76%0.06317%0.17CC..EExtended strand (participates in β ladder)trans-93.5112.5164.7-65.10000107.5P40 L42 H341 S342P40-S335 WeakPolarHBondContact O-CB 3.44Å; P40-S335 PolarHBondContact O-OG 3.44Å; L42-S335 VanDerWaalsContact CD2-O 3.24Å; L42-S335 WeakPolarHBondContact CD2-O 3.46Å; S335-H341 CarbonylContact O-C 3.59Å; S335-H341 WeakPolarHBondContact O-CA 3.36Å; S335-S342 PolarHBondContact N-O 3.31Å; S335-S342 PolarHBondContact O-N 2.7Å
336V97Very high96.3Very high2 Ų224.7 Ų24.71%0.01216%0.16CC..EExtended strand (participates in β ladder)trans-124.6126.2-170.4-167.40000110.8A59 V60 V181 F183 I242 A334 H341A59-V336 CarbonylContact C-O 3.54Å; A59-V336 WeakPolarHBondContact CA-O 3.48Å; V60-V336 PolarHBondContact N-O 3.03Å; V60-V336 PolarHBondContact O-N 2.91Å; V181-V336 HydrophobicContact CB-CG1 4.44Å; V181-V336 HydrophobicContact CG1-CB 4.46Å; V181-V336 HydrophobicContact CG1-CG1 3.57Å; V181-V336 HydrophobicContact CG2-CG1 4.01Å; F183-V336 HydrophobicContact CE1-CG2 4.44Å; F183-V336 HydrophobicContact CZ-CB 4.35Å; F183-V336 HydrophobicContact CZ-CG1 4.45Å; F183-V336 HydrophobicContact CZ-CG2 4.47Å; I242-V336 HydrophobicContact CD1-CG1 4.06Å; I242-V336 HydrophobicContact CG1-CG1 3.92Å; A334-V336 HydrophobicContact CB-CG2 3.75Å; V336-H341 HydrophobicContact CG1-CB 4.25Å; V336-H341 HydrophobicContact CG2-CB 4.39Å
337S95.3Very high96.5Very high22 Ų2225.8 Ų25.815%0.15417%0.165CC..  trans-119.2167.9172.967.10000110V181 R294 G339 G340V181-S337 VanDerWaalsContact CG2-C 3.47Å; R294-S337 PolarHBondContact NH1-O 3.07Å; R294-S337 PolarHBondContact NH2-O 2.95Å; S337-G339 PolarHBondContact O-N 3.45Å; S337-G340 PolarHBondContact N-O 3.1Å; S337-G340 PolarHBondContact O-N 2.99Å; S337-G340 PolarHBondContact OG-N 2.86Å; S337-G340 VanDerWaalsContact OG-N 3.11Å; S337-G340 PolarHBondContact OG-O 3.33Å
338P92.1Very high96.5Very high53 Ų5323.1 Ų23.134%0.34415%0.151SC..SBendtrans-49.9-41.6172.9-33.940.2000114T239T239-P338 HydrophobicContact CG2-CB 3.76Å
339G87.9Confident96.6Very high77 Ų7722.3 Ų22.379%0.79415%0.147SC*.SBendtrans-96.4-11.5-173.500000116S337S337-G339 PolarHBondContact O-N 3.45Å
340G92.8Very high96.6Very high23 Ų2325 Ų2524%0.23716%0.159CC..  trans-166.2166.3-174.800000113.6R294 S337R294-G340 PolarHBondContact NH1-O 2.81Å; S337-G340 PolarHBondContact N-O 3.1Å; S337-G340 PolarHBondContact O-N 2.99Å; S337-G340 PolarHBondContact OG-N 2.86Å; S337-G340 VanDerWaalsContact OG-N 3.11Å; S337-G340 PolarHBondContact OG-O 3.33Å
341H95.9Very high96.6Very high53 Ų5326.7 Ų26.725%0.24517%0.167CC..EExtended strand (participates in β ladder)trans-140.8155.5175.764.7-87.5000109.6R294 S335 V336R294-H341 PolarHBondContact O-CE1 3.13Å; S335-H341 CarbonylContact O-C 3.59Å; S335-H341 WeakPolarHBondContact O-CA 3.36Å; V336-H341 HydrophobicContact CG1-CB 4.25Å; V336-H341 HydrophobicContact CG2-CB 4.39Å
342S97.1Very high96.5Very high31 Ų3129.3 Ų29.322%0.21719%0.186CC..EExtended strand (participates in β ladder)trans-143.1145.3169.6-167.70000108.6P40 K41 A334 S335P40-S342 WeakPolarHBondContact CB-OG 3.34Å; P40-S342 VanDerWaalsContact CG-C 3.46Å; P40-S342 WeakPolarHBondContact CG-O 3.32Å; K41-S342 PolarHBondContact O-OG 3.39Å; A334-S342 WeakPolarHBondContact CA-O 3.48Å; S335-S342 PolarHBondContact N-O 3.31Å; S335-S342 PolarHBondContact O-N 2.7Å
343L97.5Very high96.5Very high45 Ų4532.2 Ų32.224%0.23620%0.204CC..EExtended strand (participates in β ladder)trans-127.3146.3-170.7-53.7176.2000109.8L295 I316 I332 L333 A334L295-L343 HydrophobicContact CD1-CD1 3.87Å; L295-L343 HydrophobicContact CD2-CD1 3.82Å; L295-L343 HydrophobicContact CD2-CD2 3.95Å; L295-L343 HydrophobicContact CD2-CG 4.39Å; I316-L343 HydrophobicContact CD1-CD1 3.1Å; I316-L343 HydrophobicContact CD1-CG 4.48Å; I332-L343 HydrophobicContact CG2-CB 4.3Å; I332-L343 HydrophobicContact CG2-CD2 4.08Å; L333-L343 CarbonylContact O-C 3.59Å; L333-L343 WeakPolarHBondContact O-CA 3.36Å; A334-L343 HydrophobicContact CB-CD2 3.34Å
344S96.9Very high96.4Very high32 Ų3232.4 Ų32.422%0.22421%0.205CC..EExtended strand (participates in β ladder)trans-139.9137.3167.162.60000109.4A38 P40 L333A38-S344 PolarHBondContact O-OG 3.39Å; A38-S344 VanDerWaalsContact O-OG 3.13Å; P40-S344 WeakPolarHBondContact CD-OG 3.47Å; L333-S344 WeakPolarHBondContact CB-OG 3.18Å; L333-S344 PolarHBondContact N-O 3.35Å; L333-S344 PolarHBondContact O-N 3.37Å
345K96.8Very high96.4Very high54 Ų5436.3 Ų36.324%0.23522%0.224CC..EExtended strand (participates in β ladder)trans-87.9133.9176.1-172.8173.7-69.3178.50110.5D261 I332 F347D261-K345 IonicContact OD1-NZ 2.85Å; D261-K345 PolarHBondContact OD1-NZ 2.89Å; D261-K345 WeakPolarHBondContact OD2-CD 3.37Å; D261-K345 WeakPolarHBondContact OD2-CE 3.47Å; D261-K345 IonicContact OD2-NZ 2.71Å; D261-K345 PolarHBondContact OD2-NZ 2.99Å; I332-K345 HydrophobicContact CD1-CB 3.92Å; I332-K345 HydrophobicContact CD1-CG 4.01Å; K345-F347 HydrophobicContact CD-CE2 3.93Å; K345-F347 HydrophobicContact CD-CZ 3.93Å; K345-F347 HydrophobicContact CG-CE2 4.1Å
346C97.6Very high96.4Very high1 Ų137.4 Ų37.41%0.00724%0.237CC..EExtended strand (participates in β ladder)trans-117.5108.9179.9-174.70000110.3C37 S330 F331C37-C346 HydrophobicContact CB-CB 3.69Å; C37-C346 WeakPolarHBondContact CB-SG 3.35Å; C37-C346 WeakPolarHBondContact SG-CA 3.44Å; C37-C346 WeakPolarHBondContact SG-CB 3.41Å; C37-C346 CovalentContact SG-SG 2.01Å; C37-C346 PolarHBondContact SG-SG 3.04Å; S330-C346 CarbonylContact C-O 3.54Å; S330-C346 VanDerWaalsContact CA-O 3.23Å; S330-C346 WeakPolarHBondContact CA-O 3.24Å; S330-C346 WeakPolarHBondContact CB-O 3.23Å; F331-C346 HydrophobicContact CD1-CB 4.21Å; F331-C346 WeakPolarHBondContact CD1-O 3.3Å; F331-C346 HydrophobicContact CD2-CB 4Å; F331-C346 HydrophobicContact CE1-CB 3.84Å; F331-C346 VanDerWaalsContact CE1-SG 3.58Å; F331-C346 HydrophobicContact CE2-CB 3.62Å; F331-C346 HydrophobicContact CG-CB 4.29Å; F331-C346 HydrophobicContact CZ-CB 3.55Å; F331-C346 WeakPolarHBondContact CZ-SG 3.48Å; F331-C346 PolarHBondContact N-O 3.46Å; F331-C346 PolarHBondContact O-N 2.98Å
347F97.9Very high96.4Very high52 Ų5239.4 Ų39.423%0.22825%0.249CC..EExtended strand (participates in β ladder)trans-74.7144.6176.9-73.9-92.3000111.5T33 Q260 D261 N328 K345T33-F347 WeakPolarHBondContact CG2-O 3.41Å; Q260-F347 HydrophobicContact CB-CE1 4.12Å; Q260-F347 HydrophobicContact CB-CZ 3.84Å; Q260-F347 HydrophobicContact CG-CE1 4.3Å; Q260-F347 HydrophobicContact CG-CZ 4.46Å; D261-F347 HydrophobicContact CB-CE1 3.76Å; D261-F347 HydrophobicContact CB-CZ 4.02Å; N328-F347 HydrophobicContact CB-CD1 4.38Å; K345-F347 HydrophobicContact CD-CE2 3.93Å; K345-F347 HydrophobicContact CD-CZ 3.93Å; K345-F347 HydrophobicContact CG-CE2 4.1Å
348L98.1Very high96.5Very high3 Ų342 Ų422%0.01626%0.256CS..PPolyproline II helixtrans-93.1166.8167.5-63.2-178.6000110I34 A91 F321 P329 F331 E350I34-L348 HydrophobicContact CD1-CD2 4.04Å; I34-L348 HydrophobicContact CG1-CD2 4.12Å; A91-L348 HydrophobicContact CB-CD1 3.66Å; A91-L348 HydrophobicContact CB-CD2 3.73Å; A91-L348 HydrophobicContact CB-CG 4.33Å; F321-L348 HydrophobicContact CD2-CD1 3.86Å; F321-L348 HydrophobicContact CE1-CD1 4.49Å; F321-L348 HydrophobicContact CE2-CD1 3.63Å; F321-L348 HydrophobicContact CE2-CD2 4.49Å; F321-L348 HydrophobicContact CE2-CG 4.44Å; F321-L348 HydrophobicContact CG-CD1 4.42Å; F321-L348 HydrophobicContact CZ-CD1 3.96Å; P329-L348 HydrophobicContact CB-CD1 4.21Å; P329-L348 HydrophobicContact CG-CB 4.07Å; P329-L348 HydrophobicContact CG-CD1 4.17Å; P329-L348 WeakPolarHBondContact O-CB 3.24Å; P329-L348 PolarHBondContact O-N 3.35Å; F331-L348 HydrophobicContact CD1-CD2 4.11Å; F331-L348 HydrophobicContact CD1-CG 4.35Å; F331-L348 HydrophobicContact CE1-CD2 3.72Å; F331-L348 HydrophobicContact CE1-CG 4.42Å; L348-E350 PolarHBondContact O-N 2.74Å
349P97.8Very high96.8Very high5 Ų543.4 Ų43.43%0.03227%0.266CS..PPolyproline II helixtrans-56.3142.7176.4-23.132.5000111I29 Y30 T33 W323I29-P349 HydrophobicContact CB-CG 4.46Å; I29-P349 HydrophobicContact CD1-CB 3.83Å; I29-P349 HydrophobicContact CD1-CG 4.47Å; I29-P349 HydrophobicContact CG1-CB 3.89Å; I29-P349 HydrophobicContact CG1-CG 4Å; I29-P349 HydrophobicContact CG2-CB 4.28Å; I29-P349 HydrophobicContact CG2-CG 4.02Å; Y30-P349 HydrophobicContact CD1-CG 3.72Å; Y30-P349 HydrophobicContact CE1-CG 3.97Å; Y30-P349 HydrophobicContact CG-CG 4.24Å; T33-P349 HydrophobicContact CG2-CG 4.19Å; W323-P349 VanDerWaalsContact CE2-O 3.32Å; W323-P349 HydrophobicContact CZ2-CB 4.27Å; W323-P349 WeakPolarHBondContact CZ2-O 3.4Å; W323-P349 PolarHBondContact NE1-O 3.23Å
350E97.7Very high97.1Very high55 Ų5543.7 Ų43.726%0.25726%0.256SS..PPolyproline II helixtrans-76140.8175.8-62.5-173.3-172.500111.2Q260 N327 N328 L348 S352 T353 V354Q260-E350 PolarHBondContact NE2-OE1 2.9Å; Q260-E350 VanDerWaalsContact NE2-OE1 3.08Å; N327-E350 PolarHBondContact ND2-OE2 2.92Å; N327-E350 CarbonylContact O-C 3.59Å; N327-E350 WeakPolarHBondContact O-CA 3.38Å; N328-E350 HydrophobicContact CB-CG 3.93Å; L348-E350 PolarHBondContact O-N 2.74Å; E350-S352 VanDerWaalsContact C-N 3.3Å; E350-S352 PolarHBondContact O-N 3.48Å; E350-S352 PolarHBondContact OE2-OG 3.45Å; E350-T353 WeakPolarHBondContact O-CB 3.37Å; E350-T353 PolarHBondContact O-N 2.89Å; E350-V354 PolarHBondContact O-N 3.39Å
351E97.4Very high97.3Very high36 Ų3643.4 Ų43.417%0.16825%0.252CS..Hα-helixtrans-61.1-43.5176.6-174.5-178.1-163.900110.9R84 W323 N327 T353 V354 I355R84-E351 IonicContact CZ-OE1 2.68Å; R84-E351 IonicContact CZ-OE2 3.47Å; R84-E351 IonicContact NH1-OE1 3.54Å; R84-E351 PolarHBondContact NH1-OE1 2.9Å; R84-E351 IonicContact NH1-OE2 3.84Å; R84-E351 PolarHBondContact NH1-OE2 3.49Å; R84-E351 IonicContact NH2-OE1 3.48Å; R84-E351 PolarHBondContact NH2-OE1 3.48Å; R84-E351 IonicContact NH2-OE2 3.57Å; W323-E351 HydrophobicContact CB-CB 4.36Å; W323-E351 HydrophobicContact CD2-CB 3.92Å; W323-E351 HydrophobicContact CD2-CG 4.32Å; W323-E351 HydrophobicContact CE3-CG 4.47Å; W323-E351 HydrophobicContact CG-CB 3.86Å; W323-E351 HydrophobicContact CG-CG 4.49Å; N327-E351 PolarHBondContact O-N 2.68Å; N327-E351 PolarHBondContact OD1-N 3.34Å; E351-T353 PolarHBondContact O-N 3.4Å; E351-V354 WeakPolarHBondContact O-CB 3.39Å; E351-V354 PolarHBondContact O-N 3.47Å; E351-I355 HydrophobicContact CG-CD1 3.82Å; E351-I355 HydrophobicContact CG-CG1 4.25Å; E351-I355 WeakPolarHBondContact O-CG1 3.37Å; E351-I355 PolarHBondContact O-N 3.19Å
352S97.5Very high97.2Very high56 Ų5642.3 Ų42.339%0.39226%0.255SS..Hα-helixtrans-56.9-35.2176.964.70000112.4N327 E350 G356N327-S352 PolarHBondContact ND2-OG 3.17Å; N327-S352 VanDerWaalsContact ND2-OG 3.1Å; N327-S352 VanDerWaalsContact OD1-CB 3.27Å; N327-S352 WeakPolarHBondContact OD1-CB 3.3Å; N327-S352 PolarHBondContact OD1-N 2.83Å; N327-S352 PolarHBondContact OD1-OG 3.47Å; E350-S352 VanDerWaalsContact C-N 3.3Å; E350-S352 PolarHBondContact O-N 3.48Å; E350-S352 PolarHBondContact OE2-OG 3.45Å; S352-G356 PolarHBondContact O-N 3.34Å
353T97.5Very high97.1Very high65 Ų6543.2 Ų43.240%0.39926%0.264SS..Hα-helixtrans-66.8-45.1175.1-65.90000110.4I29 E350 E351 G356 V357I29-T353 HydrophobicContact CD1-CG2 4.23Å; E350-T353 WeakPolarHBondContact O-CB 3.37Å; E350-T353 PolarHBondContact O-N 2.89Å; E351-T353 PolarHBondContact O-N 3.4Å; T353-G356 PolarHBondContact O-N 3.34Å; T353-V357 WeakPolarHBondContact O-CG2 3.49Å; T353-V357 PolarHBondContact O-N 3.38Å
354V97.6Very high96.8Very high3 Ų342.4 Ų42.42%0.01827%0.266CS..Hα-helixtrans-63.3-45.3177.3175.80000111.3C25 I29 W323 E350 E351 G356 V357 Y358C25-V354 HydrophobicContact CB-CG1 3.67Å; I29-V354 HydrophobicContact CD1-CG2 3.81Å; W323-V354 HydrophobicContact CH2-CG2 3.91Å; W323-V354 HydrophobicContact CZ2-CG2 4.12Å; E350-V354 PolarHBondContact O-N 3.39Å; E351-V354 WeakPolarHBondContact O-CB 3.39Å; E351-V354 PolarHBondContact O-N 3.47Å; V354-G356 VanDerWaalsContact C-N 3.33Å; V354-G356 PolarHBondContact O-N 2.95Å; V354-V357 PolarHBondContact O-N 3.48Å; V354-Y358 HydrophobicContact CG1-CD2 3.77Å; V354-Y358 HydrophobicContact CG1-CE2 3.59Å; V354-Y358 VanDerWaalsContact O-CD2 3.3Å; V354-Y358 WeakPolarHBondContact O-CD2 3.47Å; V354-Y358 PolarHBondContact O-N 3.46Å
355I97.5Very high96.5Very high85 Ų8542.3 Ų42.344%0.43626%0.263SS..Hα-helixtrans-59.3-46.8175-66.9170.9000110.1E351 V357 Y358 C359E351-I355 HydrophobicContact CG-CD1 3.82Å; E351-I355 HydrophobicContact CG-CG1 4.25Å; E351-I355 WeakPolarHBondContact O-CG1 3.37Å; E351-I355 PolarHBondContact O-N 3.19Å; I355-V357 VanDerWaalsContact C-N 3.34Å; I355-V357 PolarHBondContact O-N 3.26Å; I355-Y358 PolarHBondContact O-N 3.32Å; I355-C359 WeakPolarHBondContact O-CB 3.31Å; I355-C359 PolarHBondContact O-N 3.47Å; I355-C359 PolarHBondContact O-SG 2.99Å; I355-C359 VanDerWaalsContact O-SG 3.34Å
356G98.1Very high96.2Very high32 Ų3245.1 Ų45.133%0.3328%0.28SS..Hα-helixtrans-59.8-40.1179.200000113.3S352 T353 V354 C359 S360S352-G356 PolarHBondContact O-N 3.34Å; T353-G356 PolarHBondContact O-N 3.34Å; V354-G356 VanDerWaalsContact C-N 3.33Å; V354-G356 PolarHBondContact O-N 2.95Å; G356-C359 PolarHBondContact O-N 3.4Å; G356-S360 VanDerWaalsContact O-CB 3.3Å; G356-S360 WeakPolarHBondContact O-CB 3.45Å; G356-S360 PolarHBondContact O-N 3.24Å; G356-S360 PolarHBondContact O-OG 3.13Å
357V97.3Very high95.8Very high44 Ų4450.7 Ų50.727%0.26731%0.309SS..Hα-helixtrans-65.1-44.9174.8173.30000110.8F24 C25 T353 V354 I355 S360 A361F24-V357 HydrophobicContact CD1-CG1 4.21Å; F24-V357 HydrophobicContact CE1-CG2 4.29Å; C25-V357 VanDerWaalsContact SG-CG1 3.52Å; T353-V357 WeakPolarHBondContact O-CG2 3.49Å; T353-V357 PolarHBondContact O-N 3.38Å; V354-V357 PolarHBondContact O-N 3.48Å; I355-V357 VanDerWaalsContact C-N 3.34Å; I355-V357 PolarHBondContact O-N 3.26Å; V357-S360 PolarHBondContact O-N 2.88Å; V357-A361 WeakPolarHBondContact O-CB 3.28Å; V357-A361 PolarHBondContact O-N 3.32Å
358Y97.6Very high95.3Very high77 Ų7751.7 Ų51.730%0.30232%0.317SS..Hα-helixtrans-62.7-44.1175.9-79.7-54.6000112.8A21 C25 E26 V354 I355 S360 A361 G362A21-Y358 HydrophobicContact CB-CD1 4.48Å; C25-Y358 HydrophobicContact CB-CD2 4.35Å; C25-Y358 HydrophobicContact CB-CE1 4.21Å; C25-Y358 HydrophobicContact CB-CE2 3.58Å; C25-Y358 VanDerWaalsContact CB-CZ 3.5Å; C25-Y358 WeakPolarHBondContact CB-OH 3.31Å; E26-Y358 WeakPolarHBondContact CG-OH 3.39Å; E26-Y358 WeakPolarHBondContact OE1-CE2 3.41Å; E26-Y358 PolarHBondContact OE1-OH 3.21Å; V354-Y358 HydrophobicContact CG1-CD2 3.77Å; V354-Y358 HydrophobicContact CG1-CE2 3.59Å; V354-Y358 VanDerWaalsContact O-CD2 3.3Å; V354-Y358 WeakPolarHBondContact O-CD2 3.47Å; V354-Y358 PolarHBondContact O-N 3.46Å; I355-Y358 PolarHBondContact O-N 3.32Å; Y358-S360 VanDerWaalsContact C-N 3.35Å; Y358-S360 PolarHBondContact O-N 3.49Å; Y358-A361 PolarHBondContact O-N 3.23Å; Y358-G362 PolarHBondContact O-N 3.49Å
359C97.4Very high94.7Very high82 Ų8255.3 Ų55.355%0.55434%0.336SS*.Hα-helixtrans-61.9-42.4175.9-70.70000111.7I355 G356 G362 A363I355-C359 WeakPolarHBondContact O-CB 3.31Å; I355-C359 PolarHBondContact O-N 3.47Å; I355-C359 PolarHBondContact O-SG 2.99Å; I355-C359 VanDerWaalsContact O-SG 3.34Å; G356-C359 PolarHBondContact O-N 3.4Å; C359-G362 PolarHBondContact O-N 3.06Å; C359-A363 WeakPolarHBondContact O-CB 3.49Å; C359-A363 PolarHBondContact O-N 2.99Å
360S95.9Very high94.3Very high83 Ų8360.2 Ų60.258%0.5836%0.361SS*.Hα-helixtrans-65.7-42.3178-59.20000111.8G356 V357 Y358 A363 G364G356-S360 VanDerWaalsContact O-CB 3.3Å; G356-S360 WeakPolarHBondContact O-CB 3.45Å; G356-S360 PolarHBondContact O-N 3.24Å; G356-S360 PolarHBondContact O-OG 3.13Å; V357-S360 PolarHBondContact O-N 2.88Å; Y358-S360 VanDerWaalsContact C-N 3.35Å; Y358-S360 PolarHBondContact O-N 3.49Å; S360-A363 PolarHBondContact O-N 3.08Å; S360-G364 PolarHBondContact O-N 3.04Å
361A95.4Very high93.7Very high17 Ų1760.2 Ų60.214%0.1437%0.371CS..Hα-helixtrans-61.5-46.1173.500000110.9V17 A21 V357 Y358 A363 G364 L365V17-A361 HydrophobicContact CG1-CB 4.19Å; A21-A361 HydrophobicContact CB-CB 3.81Å; V357-A361 WeakPolarHBondContact O-CB 3.28Å; V357-A361 PolarHBondContact O-N 3.32Å; Y358-A361 PolarHBondContact O-N 3.23Å; A361-A363 PolarHBondContact O-N 2.96Å; A361-G364 PolarHBondContact O-N 3.34Å; A361-L365 VanDerWaalsContact O-CG 3.23Å; A361-L365 WeakPolarHBondContact O-CG 3.44Å; A361-L365 PolarHBondContact O-N 3.34Å
362G95.1Very high93.1Very high30 Ų3061.2 Ų61.231%0.30938%0.375SS..Hα-helixtrans-58.5-46.7176.100000113.2Y358 C359 G364 L365 L366Y358-G362 PolarHBondContact O-N 3.49Å; C359-G362 PolarHBondContact O-N 3.06Å; G362-G364 PolarHBondContact O-N 3.28Å; G362-L365 PolarHBondContact O-N 3.02Å; G362-L366 WeakPolarHBondContact O-CG 3.48Å; G362-L366 PolarHBondContact O-N 3.29Å
363A94.3Very high92.6Very high50 Ų5061.8 Ų61.841%0.41338%0.379SS..Hα-helixtrans-61.7-43.2175.300000111.8C359 S360 A361 L365 L366 L367C359-A363 WeakPolarHBondContact O-CB 3.49Å; C359-A363 PolarHBondContact O-N 2.99Å; S360-A363 PolarHBondContact O-N 3.08Å; A361-A363 PolarHBondContact O-N 2.96Å; A363-L365 PolarHBondContact O-N 3.46Å; A363-L366 PolarHBondContact O-N 3.49Å; A363-L367 WeakPolarHBondContact O-CG 3.32Å; A363-L367 PolarHBondContact O-N 2.88Å
364G91.1Very high92Very high28 Ų2864.3 Ų64.329%0.28939%0.389SS..Hα-helixtrans-59.5-43.2174.800000112.7S360 A361 G362 L367 L368S360-G364 PolarHBondContact O-N 3.04Å; A361-G364 PolarHBondContact O-N 3.34Å; G362-G364 PolarHBondContact O-N 3.28Å; G364-L367 PolarHBondContact O-N 3.33Å; G364-L368 VanDerWaalsContact O-CG 3.31Å; G364-L368 WeakPolarHBondContact O-CG 3.33Å; G364-L368 PolarHBondContact O-N 2.85Å
365L90.7Very high91.4Very high30 Ų3073 Ų7316%0.15742%0.421CS..Hα-helixtrans-62.5-43.4176.2-67.3167.2000111.7L14 V17 V18 A361 G362 A363 L367 L368 L369L14-L365 HydrophobicContact CB-CD2 4.14Å; L14-L365 HydrophobicContact CD2-CB 4.42Å; L14-L365 HydrophobicContact CD2-CD2 3.4Å; L14-L365 HydrophobicContact CG-CD2 4.36Å; V17-L365 HydrophobicContact CB-CD2 3.95Å; V17-L365 HydrophobicContact CG1-CD1 4.5Å; V17-L365 HydrophobicContact CG1-CD2 3.86Å; V17-L365 HydrophobicContact CG1-CG 4.04Å; V18-L365 HydrophobicContact CG2-CD1 3.49Å; V18-L365 VanDerWaalsContact CG2-CD1 3.49Å; V18-L365 HydrophobicContact CG2-CD2 4.18Å; V18-L365 HydrophobicContact CG2-CG 4.5Å; A361-L365 VanDerWaalsContact O-CG 3.23Å; A361-L365 WeakPolarHBondContact O-CG 3.44Å; A361-L365 PolarHBondContact O-N 3.34Å; G362-L365 PolarHBondContact O-N 3.02Å; A363-L365 PolarHBondContact O-N 3.46Å; L365-L367 PolarHBondContact O-N 3.06Å; L365-L368 PolarHBondContact O-N 3.02Å; L365-L369 VanDerWaalsContact O-CG 3.32Å; L365-L369 WeakPolarHBondContact O-CG 3.36Å; L365-L369 PolarHBondContact O-N 3.26Å
366L90.4Very high90.6Very high113 Ų11373.2 Ų73.259%0.59242%0.422SS*.Hα-helixtrans-61.5-43.6176.3-72.4169.8000111.7G362 A363 L369 L370G362-L366 WeakPolarHBondContact O-CG 3.48Å; G362-L366 PolarHBondContact O-N 3.29Å; A363-L366 PolarHBondContact O-N 3.49Å; L366-L369 PolarHBondContact O-N 2.91Å; L366-L370 WeakPolarHBondContact O-CB 3.46Å; L366-L370 VanDerWaalsContact O-CG 3.3Å; L366-L370 WeakPolarHBondContact O-CG 3.34Å; L366-L370 PolarHBondContact O-N 3.34Å
367L90.1Very high89.7Confident118 Ų11878.2 Ų78.262%0.61844%0.435SS*.Hα-helixtrans-63.9-41.8176.9-70.1174.4000112.1A363 G364 L365 L370 A371A363-L367 WeakPolarHBondContact O-CG 3.32Å; A363-L367 PolarHBondContact O-N 2.88Å; G364-L367 PolarHBondContact O-N 3.33Å; L365-L367 PolarHBondContact O-N 3.06Å; L367-L370 PolarHBondContact O-N 3.48Å; L367-A371 WeakPolarHBondContact O-CB 3.46Å; L367-A371 PolarHBondContact O-N 3.39Å
368L86.9Confident88.8Confident73 Ų7377.7 Ų77.738%0.38244%0.438SS..Hα-helixtrans-62.5-42175.8-73.1172.1000111.9L14 G364 L365 A371 H372L14-L368 HydrophobicContact CD2-CB 4.14Å; L14-L368 HydrophobicContact CD2-CD1 4.25Å; G364-L368 VanDerWaalsContact O-CG 3.31Å; G364-L368 WeakPolarHBondContact O-CG 3.33Å; G364-L368 PolarHBondContact O-N 2.85Å; L365-L368 PolarHBondContact O-N 3.02Å; L368-A371 PolarHBondContact O-N 3.46Å; L368-H372 WeakPolarHBondContact O-CB 3.45Å; L368-H372 PolarHBondContact O-N 3.49Å
369L86.2Confident87.8Confident79 Ų7978 Ų7841%0.41445%0.445SS..Hα-helixtrans-64.7-44.2175.8-72.8170.4000111.8L14 L365 L366 H372 C373L14-L369 HydrophobicContact CD1-CD2 3.86Å; L14-L369 HydrophobicContact CD2-CG 4.45Å; L365-L369 VanDerWaalsContact O-CG 3.32Å; L365-L369 WeakPolarHBondContact O-CG 3.36Å; L365-L369 PolarHBondContact O-N 3.26Å; L366-L369 PolarHBondContact O-N 2.91Å; L369-H372 PolarHBondContact O-N 2.88Å; L369-C373 WeakPolarHBondContact O-CB 3.32Å; L369-C373 PolarHBondContact O-N 2.96Å; L369-C373 PolarHBondContact O-SG 2.9Å; L369-C373 VanDerWaalsContact O-SG 3.34Å
370L88.2Confident86.6Confident108 Ų10879.2 Ų79.257%0.56545%0.445SS*.Hα-helixtrans-62.6-45.1176.4-72.5171.9000111.6L366 L367 H372 C373 L374L366-L370 WeakPolarHBondContact O-CB 3.46Å; L366-L370 VanDerWaalsContact O-CG 3.3Å; L366-L370 WeakPolarHBondContact O-CG 3.34Å; L366-L370 PolarHBondContact O-N 3.34Å; L367-L370 PolarHBondContact O-N 3.48Å; L370-H372 VanDerWaalsContact C-N 3.34Å; L370-H372 PolarHBondContact O-N 2.9Å; L370-C373 PolarHBondContact O-N 3.35Å; L370-L374 WeakPolarHBondContact O-CB 3.45Å; L370-L374 WeakPolarHBondContact O-CG 3.5Å; L370-L374 PolarHBondContact O-N 2.89Å
371A86.6Confident85.5Confident56 Ų5681.6 Ų81.646%0.46345%0.447SS..Hα-helixtrans-60.3-43.3176.100000111.6L367 L368 L374 W375L367-A371 WeakPolarHBondContact O-CB 3.46Å; L367-A371 PolarHBondContact O-N 3.39Å; L368-A371 PolarHBondContact O-N 3.46Å; A371-L374 PolarHBondContact O-N 3.35Å; A371-W375 WeakPolarHBondContact O-CB 3.32Å; A371-W375 PolarHBondContact O-N 2.95Å
372H84.8Confident84.3Confident56 Ų5686.2 Ų86.226%0.25947%0.469SS..Hα-helixtrans-63-44.2175.2-179.4-95.7000112V10 L368 L369 L370 L374 W375 M376V10-H372 HydrophobicContact CG1-CB 4.46Å; L368-H372 WeakPolarHBondContact O-CB 3.45Å; L368-H372 PolarHBondContact O-N 3.49Å; L369-H372 PolarHBondContact O-N 2.88Å; L370-H372 VanDerWaalsContact C-N 3.34Å; L370-H372 PolarHBondContact O-N 2.9Å; H372-L374 PolarHBondContact O-N 3.36Å; H372-W375 PolarHBondContact O-N 2.92Å; H372-M376 WeakPolarHBondContact O-CB 3.39Å; H372-M376 WeakPolarHBondContact O-CG 3.3Å; H372-M376 PolarHBondContact O-N 3.34Å
373C85.4Confident83.1Confident69 Ų6987.2 Ų87.247%0.46647%0.471SS..Hα-helixtrans-62.2-41.5176.2-750000112.5L369 L370 M376 K377L369-C373 WeakPolarHBondContact O-CB 3.32Å; L369-C373 PolarHBondContact O-N 2.96Å; L369-C373 PolarHBondContact O-SG 2.9Å; L369-C373 VanDerWaalsContact O-SG 3.34Å; L370-C373 PolarHBondContact O-N 3.35Å; C373-M376 PolarHBondContact O-N 3.48Å; C373-K377 WeakPolarHBondContact O-CG 3.49Å; C373-K377 PolarHBondContact O-N 2.94Å
374L86.4Confident82Confident118 Ų11890 Ų9062%0.61848%0.478SS*.Hα-helixtrans-66.2-42.2175.8-70.6172.1000111.6L370 A371 H372 K377 G378L370-L374 WeakPolarHBondContact O-CB 3.45Å; L370-L374 WeakPolarHBondContact O-CG 3.5Å; L370-L374 PolarHBondContact O-N 2.89Å; A371-L374 PolarHBondContact O-N 3.35Å; H372-L374 PolarHBondContact O-N 3.36Å; L374-K377 PolarHBondContact O-N 3.43Å; L374-G378 PolarHBondContact O-N 2.93Å
375W83.5Confident81Confident184 Ų18492.8 Ų92.870%0.69749%0.492SS*.Hα-helixtrans-60-46.4174.7-177.2-84.5000111.8A371 H372 K377 G378 L379A371-W375 WeakPolarHBondContact O-CB 3.32Å; A371-W375 PolarHBondContact O-N 2.95Å; H372-W375 PolarHBondContact O-N 2.92Å; W375-K377 PolarHBondContact O-N 3.39Å; W375-G378 PolarHBondContact O-N 2.96Å; W375-L379 VanDerWaalsContact CD1-CD1 3.48Å; W375-L379 VanDerWaalsContact NE1-CD1 3.3Å; W375-L379 PolarHBondContact O-N 3.24Å
376M81.1Confident79.8Confident90 Ų9096.6 Ų96.644%0.44351%0.512SS..Hα-helixtrans-63.9-39.4177-72.3-58.9-63.200112.3H372 C373 L379 L380H372-M376 WeakPolarHBondContact O-CB 3.39Å; H372-M376 WeakPolarHBondContact O-CG 3.3Å; H372-M376 PolarHBondContact O-N 3.34Å; C373-M376 PolarHBondContact O-N 3.48Å; M376-L379 PolarHBondContact O-N 2.92Å; M376-L379 HydrophobicContact SD-CD1 4.12Å; M376-L380 WeakPolarHBondContact O-CB 3.44Å; M376-L380 PolarHBondContact O-N 2.98Å
377K80.4Confident78.7Confident137 Ų13796.8 Ų96.860%0.59651%0.513SS*.Hα-helixtrans-61.7-43.9172.5-77.3179.3179.8-176.70111.9C373 L374 W375 L380 Q381C373-K377 WeakPolarHBondContact O-CG 3.49Å; C373-K377 PolarHBondContact O-N 2.94Å; L374-K377 PolarHBondContact O-N 3.43Å; W375-K377 PolarHBondContact O-N 3.39Å; K377-L380 PolarHBondContact O-N 3.5Å; K377-Q381 WeakPolarHBondContact O-CG 3.46Å; K377-Q381 PolarHBondContact O-N 3.47Å
378G77.5Confident77.2Confident33 Ų3393.2 Ų93.234%0.3451%0.505SS..Hα-helixtrans-61.6-44.2176.700000112.6L374 W375 L380 Q381 L382L374-G378 PolarHBondContact O-N 2.93Å; W375-G378 PolarHBondContact O-N 2.96Å; G378-L380 VanDerWaalsContact C-N 3.35Å; G378-L380 PolarHBondContact O-N 3.25Å; G378-Q381 PolarHBondContact O-N 3.45Å; G378-L382 WeakPolarHBondContact O-CB 3.46Å; G378-L382 PolarHBondContact O-N 2.93Å
379L76.6Confident75.8Confident84 Ų8497.8 Ų97.844%0.4452%0.522SS..Hα-helixtrans-60.8-42.2173.1-77.3172.1000112.2W375 M376 L382 S383W375-L379 VanDerWaalsContact CD1-CD1 3.48Å; W375-L379 VanDerWaalsContact NE1-CD1 3.3Å; W375-L379 PolarHBondContact O-N 3.24Å; M376-L379 PolarHBondContact O-N 2.92Å; M376-L379 HydrophobicContact SD-CD1 4.12Å; L379-L382 PolarHBondContact O-N 3.47Å; L379-S383 WeakPolarHBondContact O-CB 3.48Å; L379-S383 PolarHBondContact O-N 3.48Å; L379-S383 PolarHBondContact O-OG 3.31Å
380L72.9Confident74.3Confident107 Ų107101.6 Ų101.656%0.5654%0.537SS*.Hα-helixtrans-62.8-47.1177.9-140.389.4000111.1M376 K377 G378 L382 S383 L384M376-L380 WeakPolarHBondContact O-CB 3.44Å; M376-L380 PolarHBondContact O-N 2.98Å; K377-L380 PolarHBondContact O-N 3.5Å; G378-L380 VanDerWaalsContact C-N 3.35Å; G378-L380 PolarHBondContact O-N 3.25Å; L380-L382 PolarHBondContact O-N 3.32Å; L380-S383 PolarHBondContact O-N 2.96Å; L380-S383 PolarHBondContact O-OG 2.68Å; L380-L384 HydrophobicContact CD2-CD1 4.44Å; L380-L384 WeakPolarHBondContact O-CD1 3.38Å; L380-L384 WeakPolarHBondContact O-CG 3.36Å; L380-L384 PolarHBondContact O-N 3.25Å
381Q72.8Confident72.6Confident134 Ų134105.6 Ų105.663%0.62655%0.55SS**Hα-helixtrans-60.8-43176.5-75.2179.2-21.400112K377 G378 S383 L384 C385K377-Q381 WeakPolarHBondContact O-CG 3.46Å; K377-Q381 PolarHBondContact O-N 3.47Å; G378-Q381 PolarHBondContact O-N 3.45Å; Q381-S383 VanDerWaalsContact C-N 3.34Å; Q381-S383 PolarHBondContact O-N 3.39Å; Q381-L384 PolarHBondContact O-N 3.48Å; Q381-C385 PolarHBondContact O-N 2.94Å; Q381-C385 PolarHBondContact O-SG 3.34Å
382L70.2Confident70.8Confident113 Ų113108.1 Ų108.159%0.59257%0.565SS**Hα-helixtrans-61.6-43.3176.2-153.193.4000111.4G378 L379 L380 C385 L386G378-L382 WeakPolarHBondContact O-CB 3.46Å; G378-L382 PolarHBondContact O-N 2.93Å; L379-L382 PolarHBondContact O-N 3.47Å; L380-L382 PolarHBondContact O-N 3.32Å; L382-C385 PolarHBondContact O-N 3.01Å; L382-L386 HydrophobicContact CD2-CD1 4.45Å; L382-L386 WeakPolarHBondContact O-CG 3.44Å; L382-L386 PolarHBondContact O-N 3.33Å
383S69.6Low68.8Low51 Ų51116 Ų11636%0.35761%0.608SS.*Hα-helixtrans-64.3-40.9177.773.20000112.5L379 L380 Q381 L386 L387L379-S383 WeakPolarHBondContact O-CB 3.48Å; L379-S383 PolarHBondContact O-N 3.48Å; L379-S383 PolarHBondContact O-OG 3.31Å; L380-S383 PolarHBondContact O-N 2.96Å; L380-S383 PolarHBondContact O-OG 2.68Å; Q381-S383 VanDerWaalsContact C-N 3.34Å; Q381-S383 PolarHBondContact O-N 3.39Å; S383-L386 PolarHBondContact O-N 2.94Å; S383-L387 WeakPolarHBondContact O-CB 3.44Å; S383-L387 WeakPolarHBondContact O-CD1 3.48Å; S383-L387 WeakPolarHBondContact O-CG 3.49Å; S383-L387 PolarHBondContact O-N 2.94Å
384L71.4Confident67.9Low108 Ų108118.4 Ų118.457%0.56562%0.615SS**Hα-helixtrans-64.1-40.7174.4-79.5154000111.9L380 Q381 L387 G388L380-L384 HydrophobicContact CD2-CD1 4.44Å; L380-L384 WeakPolarHBondContact O-CD1 3.38Å; L380-L384 WeakPolarHBondContact O-CG 3.36Å; L380-L384 PolarHBondContact O-N 3.25Å; Q381-L384 PolarHBondContact O-N 3.48Å; L384-L387 PolarHBondContact O-N 3.23Å; L384-G388 PolarHBondContact O-N 3.46Å
385C68.8Low67Low87 Ų87118.4 Ų118.459%0.58862%0.615SS**Hα-helixtrans-64-39.4174.2-77.60000112.7Q381 L382 K389Q381-C385 PolarHBondContact O-N 2.94Å; Q381-C385 PolarHBondContact O-SG 3.34Å; L382-C385 PolarHBondContact O-N 3.01Å; C385-K389 PolarHBondContact O-N 3.4Å
386L66.6Low66Low110 Ų110114.8 Ų114.858%0.57661%0.61SS**Hα-helixtrans-68.9-40.2177-72.8165.8000112L382 S383 K389L382-L386 HydrophobicContact CD2-CD1 4.45Å; L382-L386 WeakPolarHBondContact O-CG 3.44Å; L382-L386 PolarHBondContact O-N 3.33Å; S383-L386 PolarHBondContact O-N 2.94Å; L386-K389 PolarHBondContact O-N 3.33Å
387L67.4Low65.2Low117 Ų117116.2 Ų116.261%0.61362%0.62SS**Hα-helixtrans-67.7-36.5174.8-80.2155.3000112.7S383 L384 H390S383-L387 WeakPolarHBondContact O-CB 3.44Å; S383-L387 WeakPolarHBondContact O-CD1 3.48Å; S383-L387 WeakPolarHBondContact O-CG 3.49Å; S383-L387 PolarHBondContact O-N 2.94Å; L384-L387 PolarHBondContact O-N 3.23Å; L387-H390 PolarHBondContact O-N 2.9Å
388G58.7Low64.2Low44 Ų44114.9 Ų114.945%0.45462%0.621SS.*Hα-helixtrans-65.1-35.9175.600000113.3L384 H390 K391L384-G388 PolarHBondContact O-N 3.46Å; G388-H390 VanDerWaalsContact C-N 3.29Å; G388-H390 PolarHBondContact O-N 3.46Å; G388-K391 PolarHBondContact O-N 3.42Å
389K57.9Low63.3Low168 Ų168120.4 Ų120.473%0.7364%0.64SS**Hα-helixtrans-69.3-22.6176.1-76.9-178.2175.7-176.50113.8C385 L386C385-K389 PolarHBondContact O-N 3.4Å; L386-K389 PolarHBondContact O-N 3.33Å
390H54.1Low62.4Low159 Ų159123 Ų12374%0.73665%0.654SS**THydrogen-bonded Turntrans-85.2-8.9178.6-103.8-74000114.6L387 G388L387-H390 PolarHBondContact O-N 2.9Å; G388-H390 VanDerWaalsContact C-N 3.29Å; G388-H390 PolarHBondContact O-N 3.46Å
391K51.8Low61.6Low192 Ų192124.2 Ų124.284%0.83566%0.662SS**THydrogen-bonded Turntrans-954.3177.3-78-171.1176.1-175.90114.5G388G388-K391 PolarHBondContact O-N 3.42Å
392S49Very low60.6Low110 Ų110123.4 Ų123.477%0.76967%0.665SS**  trans-111.134.9179-71.40000113.8
393L42.2Very low59.8Low222 Ų222124.4 Ų124.4100%1.16267%0.671SS**  trans-121.40170.6-99.9152.9000110.5

Retrieved 393 of 393 residues in 317.3 ms (Link to these results)

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