A0A087Y674_POEFO Loading...

Sesquipedalian

Plays a role in endocytic trafficking. Required for receptor recycling from endosomes, both to the trans-Golgi network and the plasma membrane.

AlphaFold DB , UniProt , Accession A0A087Y674, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 261 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M56.4Low84.2Confident218 Ų218115.4 Ų115.4100%1.07455%0.546SS*.  0139.80-65.4170.484.900109.2
2K72.4Confident84.8Confident219 Ų219107.8 Ų107.895%0.95251%0.512SS*.  trans-95.7105.6173.9-71.7-179.4179.5175.40108.4
3L78.4Confident85.1Confident93 Ų93106.5 Ų106.549%0.48752%0.521SS..  trans-88.7129174.4-69.9167.4000109.1L8 V62L3-L8 HydrophobicContact CB-CD1 4.02Å; L3-L8 HydrophobicContact CB-CD2 4.36Å; L3-L8 HydrophobicContact CB-CG 4.33Å; L3-L8 HydrophobicContact CD1-CD2 4.28Å; L3-V62 HydrophobicContact CD1-CG2 4.05Å
4H87.4Confident85.4Confident107 Ų107101.7 Ų101.750%0.49550%0.503SS..  trans-82.7128.8-179.5-167-68000110.2K6 I7 L8H4-K6 VanDerWaalsContact C-N 3.34Å; H4-K6 WeakPolarHBondContact ND1-CB 3.45Å; H4-K6 PolarHBondContact ND1-N 3.42Å; H4-K6 VanDerWaalsContact ND1-N 3.19Å; H4-K6 PolarHBondContact O-N 3.16Å; H4-I7 HydrophobicContact CB-CD1 3.93Å; H4-I7 HydrophobicContact CB-CG1 4.13Å; H4-I7 WeakPolarHBondContact O-CB 3.4Å; H4-I7 PolarHBondContact O-N 3.12Å; H4-L8 PolarHBondContact O-N 3.39Å
5E88.1Confident85.6Confident103 Ų103105.1 Ų105.148%0.48153%0.532SS..Hα-helixtrans-52.4-48.2-176.2-171.8-177.5168.600112.5I7 L8 T9E5-I7 PolarHBondContact O-N 3.1Å; E5-I7 VanDerWaalsContact O-N 3.15Å; E5-L8 WeakPolarHBondContact O-CA 3.41Å; E5-L8 WeakPolarHBondContact O-CB 3.49Å; E5-L8 PolarHBondContact O-N 3.1Å; E5-T9 PolarHBondContact O-N 3.19Å; E5-T9 PolarHBondContact O-OG1 2.93Å; E5-T9 VanDerWaalsContact O-OG1 3.05Å
6K88.8Confident85.9Confident162 Ų162100.7 Ų100.770%0.70451%0.514SS*.Hα-helixtrans-52.3-37.8176.1-64.8177.1-175.5176.20114.3H4 H10H4-K6 VanDerWaalsContact C-N 3.34Å; H4-K6 WeakPolarHBondContact ND1-CB 3.45Å; H4-K6 PolarHBondContact ND1-N 3.42Å; H4-K6 VanDerWaalsContact ND1-N 3.19Å; H4-K6 PolarHBondContact O-N 3.16Å; K6-H10 WeakPolarHBondContact O-CB 3.39Å; K6-H10 PolarHBondContact O-N 3.33Å
7I90.8Very high86.3Confident113 Ų113100.9 Ų100.958%0.57952%0.523SS*.Hα-helixtrans-70.6-41.9179.1-61174.8000109.6H4 E5 H10 F11H4-I7 HydrophobicContact CB-CD1 3.93Å; H4-I7 HydrophobicContact CB-CG1 4.13Å; H4-I7 WeakPolarHBondContact O-CB 3.4Å; H4-I7 PolarHBondContact O-N 3.12Å; E5-I7 PolarHBondContact O-N 3.1Å; E5-I7 VanDerWaalsContact O-N 3.15Å; I7-H10 PolarHBondContact O-N 2.97Å; I7-F11 WeakPolarHBondContact O-CB 3.31Å; I7-F11 PolarHBondContact O-N 3.46Å
8L91.1Very high86.8Confident15 Ų1598.6 Ų98.68%0.07951%0.514CS..Hα-helixtrans-64.4-45177.3-64.4173.8000111.7L3 H4 E5 H10 F11 L12 L45 F47 L57 V60L3-L8 HydrophobicContact CB-CD1 4.02Å; L3-L8 HydrophobicContact CB-CD2 4.36Å; L3-L8 HydrophobicContact CB-CG 4.33Å; L3-L8 HydrophobicContact CD1-CD2 4.28Å; H4-L8 PolarHBondContact O-N 3.39Å; E5-L8 WeakPolarHBondContact O-CA 3.41Å; E5-L8 WeakPolarHBondContact O-CB 3.49Å; E5-L8 PolarHBondContact O-N 3.1Å; L8-H10 VanDerWaalsContact C-N 3.33Å; L8-H10 PolarHBondContact O-N 3.47Å; L8-F11 PolarHBondContact O-N 3.04Å; L8-L12 WeakPolarHBondContact O-CB 3.4Å; L8-L12 PolarHBondContact O-N 3.42Å; L8-L45 HydrophobicContact CD2-CD1 4.49Å; L8-F47 HydrophobicContact CB-CE1 4.14Å; L8-F47 HydrophobicContact CD2-CE1 4.09Å; L8-L57 HydrophobicContact CB-CD2 3.74Å; L8-L57 HydrophobicContact CD1-CD2 4.23Å; L8-V60 HydrophobicContact CD1-CB 4.32Å; L8-V60 HydrophobicContact CD1-CG1 3.59Å; L8-V60 HydrophobicContact CD2-CG1 4.29Å
9T90.8Very high87.2Confident46 Ų4698.3 Ų98.328%0.28251%0.513SS..Hα-helixtrans-61-44.2175.7-49.70000110.9E5 L12 S13E5-T9 PolarHBondContact O-N 3.19Å; E5-T9 PolarHBondContact O-OG1 2.93Å; E5-T9 VanDerWaalsContact O-OG1 3.05Å; T9-L12 PolarHBondContact O-N 3.37Å; T9-S13 WeakPolarHBondContact O-CB 3.45Å; T9-S13 PolarHBondContact O-N 3.34Å; T9-S13 PolarHBondContact O-OG 3.28Å
10H90.8Very high87.7Confident124 Ų12495.3 Ų95.357%0.57450%0.496SS*.Hα-helixtrans-59.9-51.3175.7179.8-92.4000111.2K6 I7 L8 L12 S13 C14K6-H10 WeakPolarHBondContact O-CB 3.39Å; K6-H10 PolarHBondContact O-N 3.33Å; I7-H10 PolarHBondContact O-N 2.97Å; L8-H10 VanDerWaalsContact C-N 3.33Å; L8-H10 PolarHBondContact O-N 3.47Å; H10-L12 VanDerWaalsContact C-N 3.32Å; H10-L12 PolarHBondContact O-N 3.09Å; H10-S13 WeakPolarHBondContact CA-OG 3.39Å; H10-S13 CarbonylContact O-C 3.55Å; H10-S13 WeakPolarHBondContact O-CA 3.47Å; H10-S13 PolarHBondContact O-N 3.23Å; H10-S13 PolarHBondContact O-OG 3.07Å; H10-C14 PolarHBondContact CE1-SG 2.95Å; H10-C14 PolarHBondContact ND1-SG 3.39Å; H10-C14 VanDerWaalsContact ND1-SG 3.42Å; H10-C14 PolarHBondContact O-N 3.07Å; H10-C14 PolarHBondContact O-SG 3.4Å
11F91.5Very high88.1Confident69 Ų6995.6 Ų95.630%0.30350%0.495SS..Hα-helixtrans-59.2-41.3179.5-175.9-101.1000112.9I7 L8 S13 C14 K42 L45 F47I7-F11 WeakPolarHBondContact O-CB 3.31Å; I7-F11 PolarHBondContact O-N 3.46Å; L8-F11 PolarHBondContact O-N 3.04Å; F11-S13 VanDerWaalsContact C-N 3.28Å; F11-S13 PolarHBondContact O-N 2.91Å; F11-C14 WeakPolarHBondContact O-CB 3.38Å; F11-C14 PolarHBondContact O-N 3.37Å; F11-K42 HydrophobicContact CE1-CB 3.8Å; F11-K42 HydrophobicContact CE1-CD 4.41Å; F11-K42 HydrophobicContact CZ-CB 4.4Å; F11-K42 PolarHBondContact O-NZ 2.93Å; F11-L45 HydrophobicContact CD1-CD1 4.06Å; F11-L45 HydrophobicContact CE1-CD1 3.96Å; F11-F47 AromaticContact CD1-CE2 3.87Å; F11-F47 HydrophobicContact CD1-CE2 3.87Å; F11-F47 AromaticContact CD1-CZ 3.67Å; F11-F47 HydrophobicContact CD1-CZ 3.67Å; F11-F47 HydrophobicContact CE1-CE2 4.11Å; F11-F47 HydrophobicContact CE1-CZ 4.25Å
12L90.6Very high90Very high25 Ų2585.8 Ų85.813%0.13145%0.45CS..Hα-helixtrans-61.2-39.1174.4-177.558.5000111.6L8 T9 H10 V40 K42 F47 Q49 L57L8-L12 WeakPolarHBondContact O-CB 3.4Å; L8-L12 PolarHBondContact O-N 3.42Å; T9-L12 PolarHBondContact O-N 3.37Å; H10-L12 VanDerWaalsContact C-N 3.32Å; H10-L12 PolarHBondContact O-N 3.09Å; L12-V40 HydrophobicContact CD1-CB 3.9Å; L12-V40 HydrophobicContact CD1-CG1 3.79Å; L12-V40 HydrophobicContact CD1-CG2 4.32Å; L12-K42 PolarHBondContact O-NZ 3.15Å; L12-F47 HydrophobicContact CD1-CB 4.08Å; L12-F47 HydrophobicContact CD1-CD2 3.85Å; L12-F47 HydrophobicContact CD1-CG 3.93Å; L12-F47 HydrophobicContact CD2-CB 4.18Å; L12-F47 HydrophobicContact CD2-CD1 4.42Å; L12-F47 HydrophobicContact CD2-CG 4.27Å; L12-F47 HydrophobicContact CG-CG 4.5Å; L12-Q49 VanDerWaalsContact CD2-NE2 3.26Å; L12-L57 HydrophobicContact CD2-CD1 4.14Å
13S89.3Confident91.1Very high90 Ų9079.1 Ų79.163%0.62942%0.419SS*.Hα-helixtrans-78.9-14.8178.169.10000115.5T9 H10 F11T9-S13 WeakPolarHBondContact O-CB 3.45Å; T9-S13 PolarHBondContact O-N 3.34Å; T9-S13 PolarHBondContact O-OG 3.28Å; H10-S13 WeakPolarHBondContact CA-OG 3.39Å; H10-S13 CarbonylContact O-C 3.55Å; H10-S13 WeakPolarHBondContact O-CA 3.47Å; H10-S13 PolarHBondContact O-N 3.23Å; H10-S13 PolarHBondContact O-OG 3.07Å; F11-S13 VanDerWaalsContact C-N 3.28Å; F11-S13 PolarHBondContact O-N 2.91Å
14C88.6Confident92Very high40 Ų4074.8 Ų74.827%0.2740%0.396SS..SBendtrans-63.9158.2179.7-72.40000112.2H10 F11 S16 K42H10-C14 PolarHBondContact CE1-SG 2.95Å; H10-C14 PolarHBondContact ND1-SG 3.39Å; H10-C14 VanDerWaalsContact ND1-SG 3.42Å; H10-C14 PolarHBondContact O-N 3.07Å; H10-C14 PolarHBondContact O-SG 3.4Å; F11-C14 WeakPolarHBondContact O-CB 3.38Å; F11-C14 PolarHBondContact O-N 3.37Å; C14-S16 PolarHBondContact O-N 3.1Å; C14-K42 PolarHBondContact O-NZ 3.27Å
15T89.1Confident92.4Very high153 Ų15374 Ų7494%0.93939%0.39SS*.SBendtrans-71.89174.353.20000114.2
16S89.9Confident92.7Very high34 Ų3470.7 Ų70.724%0.23837%0.374CS..PPolyproline II helixtrans-59.2142.8174.366.70000110.1C14 V18 K42C14-S16 PolarHBondContact O-N 3.1Å; S16-V18 PolarHBondContact O-N 3.46Å; S16-K42 VanDerWaalsContact O-CE 3.32Å; S16-K42 WeakPolarHBondContact O-CE 3.44Å; S16-K42 PolarHBondContact O-NZ 3.18Å; S16-K42 WeakPolarHBondContact OG-CE 3.36Å; S16-K42 PolarHBondContact OG-NZ 3.46Å
17P92.7Very high92.9Very high104 Ų10465.6 Ų65.668%0.67535%0.352SS*.PPolyproline II helixtrans-57.9142.6-178.725-34.1000110.8
18V95.3Very high92.8Very high60 Ų6064.4 Ų64.436%0.36434%0.342SS..PPolyproline II helixtrans-95.3120.3171.4173.30000107.3S16 E21 V40 K42S16-V18 PolarHBondContact O-N 3.46Å; V18-E21 HydrophobicContact CG1-CB 4.04Å; V18-E21 HydrophobicContact CG1-CG 4.2Å; V18-V40 HydrophobicContact CG1-CG1 3.89Å; V18-V40 HydrophobicContact CG2-CG1 4.07Å; V18-K42 HydrophobicContact CG2-CD 4.26Å; V18-K42 HydrophobicContact CG2-CG 4.03Å
19D95.1Very high92.2Very high92 Ų9270.7 Ų70.749%0.49237%0.371SS..SBendtrans-72.2-39.5179.4-58.2-56.7000110.6L41 A43D19-L41 HydrophobicContact CB-CD2 4.14Å; D19-L41 HydrophobicContact CB-CG 4.13Å; D19-L41 PolarHBondContact N-O 3.43Å; D19-A43 WeakPolarHBondContact OD2-CA 3.38Å; D19-A43 PolarHBondContact OD2-N 3.01Å
20K96.1Very high91.7Very high38 Ų3879.1 Ų79.117%0.16540%0.398CS..EExtended strand (participates in β ladder)trans-161.3143.5174.7-172.7162.6174.448.40112.2L41 R102 W103 A106K20-L41 HydrophobicContact CB-CB 4.36Å; K20-L41 PolarHBondContact N-O 2.98Å; K20-L41 WeakPolarHBondContact O-CB 3.43Å; K20-L41 PolarHBondContact O-N 3.48Å; K20-R102 HydrophobicContact CD-CB 4.43Å; K20-R102 WeakPolarHBondContact CD-O 3.47Å; K20-W103 HydrophobicContact CB-CH2 4.49Å; K20-W103 HydrophobicContact CB-CZ3 4.17Å; K20-W103 HydrophobicContact CD-CD2 3.76Å; K20-W103 HydrophobicContact CD-CE3 3.79Å; K20-W103 HydrophobicContact CD-CG 4.15Å; K20-W103 HydrophobicContact CD-CZ3 4.21Å; K20-W103 VanDerWaalsContact CE-CG 3.41Å; K20-W103 HydrophobicContact CG-CD2 4.22Å; K20-W103 HydrophobicContact CG-CE3 4.04Å; K20-W103 HydrophobicContact CG-CH2 4.02Å; K20-W103 HydrophobicContact CG-CZ2 4.21Å; K20-W103 HydrophobicContact CG-CZ3 3.93Å; K20-A106 HydrophobicContact CB-CB 3.84Å; K20-A106 HydrophobicContact CD-CB 3.68Å; K20-A106 HydrophobicContact CG-CB 4.39Å
21E96.6Very high91.1Very high103 Ų10377.3 Ų77.348%0.48139%0.392SS..EExtended strand (participates in β ladder)trans-136165.1168.958.9-179-161.300111.8V18 W38 F39 V40V18-E21 HydrophobicContact CG1-CB 4.04Å; V18-E21 HydrophobicContact CG1-CG 4.2Å; E21-W38 HydrophobicContact CB-CZ2 3.77Å; E21-W38 HydrophobicContact CG-CH2 4.4Å; E21-W38 HydrophobicContact CG-CZ2 3.81Å; E21-F39 CarbonylContact C-O 3.49Å; E21-F39 WeakPolarHBondContact CA-O 3.43Å; E21-F39 WeakPolarHBondContact CB-O 3.43Å; E21-V40 HydrophobicContact CB-CG2 4.22Å
22G96.7Very high90.7Very high12 Ų1276.7 Ų76.712%0.12440%0.4CS..EExtended strand (participates in β ladder)trans149.1175179.600000114.1W38 F39G22-W38 VanDerWaalsContact CA-CZ3 3.46Å; G22-F39 PolarHBondContact N-O 2.92Å; G22-F39 PolarHBondContact O-N 3.36Å
23Y96.4Very high90.6Very high79 Ų7978.6 Ų78.631%0.3141%0.412SS..EExtended strand (participates in β ladder)trans-81139.3175.4-71-78.3000112R36 R37 W38 P52Y23-R36 HydrophobicContact CD1-CG 3.73Å; Y23-R36 VanDerWaalsContact CD1-NE 3.31Å; Y23-R36 HydrophobicContact CE1-CG 4.43Å; Y23-R36 HydrophobicContact CG-CG 4.33Å; Y23-R37 WeakPolarHBondContact CA-O 3.44Å; Y23-W38 HydrophobicContact CD1-CB 4.45Å; Y23-W38 HydrophobicContact CD1-CE3 4.04Å; Y23-W38 AromaticContact CD2-CE3 3.58Å; Y23-W38 HydrophobicContact CD2-CE3 3.58Å; Y23-W38 AromaticContact CD2-CZ3 3.62Å; Y23-W38 HydrophobicContact CD2-CZ3 3.62Å; Y23-W38 HydrophobicContact CE1-CB 4.22Å; Y23-W38 AromaticContact CE1-CE3 3.97Å; Y23-W38 HydrophobicContact CE1-CE3 3.97Å; Y23-W38 AromaticContact CE2-CE3 3.48Å; Y23-W38 HydrophobicContact CE2-CE3 3.48Å; Y23-W38 VanDerWaalsContact CE2-CE3 3.48Å; Y23-W38 AromaticContact CE2-CZ3 3.57Å; Y23-W38 HydrophobicContact CE2-CZ3 3.57Å; Y23-W38 AromaticContact CG-CE3 3.87Å; Y23-W38 HydrophobicContact CG-CE3 3.87Å; Y23-W38 HydrophobicContact CG-CZ3 4.31Å; Y23-W38 AromaticContact CZ-CE3 3.7Å; Y23-P52 WeakPolarHBondContact OH-CD 3.49Å
24L96.7Very high90.7Very high1 Ų178.5 Ų78.51%0.00540%0.399CS..EExtended strand (participates in β ladder)trans-136.3155164.7-69.6168.7000109.8R37 F39 F79 A94 W103L24-R37 PolarHBondContact N-O 3.13Å; L24-R37 PolarHBondContact O-N 3.2Å; L24-F39 HydrophobicContact CB-CD2 3.58Å; L24-F39 HydrophobicContact CB-CE2 3.61Å; L24-F39 HydrophobicContact CB-CG 4.48Å; L24-F39 HydrophobicContact CD1-CB 4.47Å; L24-F39 HydrophobicContact CD1-CD2 4.03Å; L24-F39 HydrophobicContact CD1-CE2 4.42Å; L24-F39 HydrophobicContact CD1-CG 4.13Å; L24-F39 HydrophobicContact CG-CD2 4.15Å; L24-F79 HydrophobicContact CD1-CZ 3.79Å; L24-F79 HydrophobicContact CD2-CE1 3.87Å; L24-F79 HydrophobicContact CD2-CZ 3.9Å; L24-F79 HydrophobicContact CG-CZ 4.49Å; L24-A94 HydrophobicContact CD2-CB 4.07Å; L24-W103 HydrophobicContact CD1-CD2 3.7Å; L24-W103 HydrophobicContact CD1-CE3 4.12Å; L24-W103 HydrophobicContact CD1-CG 3.99Å; L24-W103 HydrophobicContact CD1-CZ2 4.17Å; L24-W103 VanDerWaalsContact CD2-CD1 3.47Å; L24-W103 HydrophobicContact CD2-CD2 4.44Å; L24-W103 HydrophobicContact CD2-CG 3.99Å; L24-W103 HydrophobicContact CG-CD2 4.2Å; L24-W103 HydrophobicContact CG-CG 4.27Å; L24-W103 HydrophobicContact CG-CZ2 4.28Å
25Y95.4Very high90.9Very high92 Ų9281.1 Ų81.136%0.36140%0.404SS..EExtended strand (participates in β ladder)trans-91.3116.4170.2-66.8-84.4000109Y35 R36 F92 A93Y25-Y35 CarbonylContact C-O 3.54Å; Y25-Y35 WeakPolarHBondContact CA-O 3.34Å; Y25-R36 HydrophobicContact CD1-CB 3.95Å; Y25-R36 HydrophobicContact CE1-CB 3.7Å; Y25-R36 HydrophobicContact CE1-CG 4.16Å; Y25-F92 CarbonylContact O-C 3.57Å; Y25-F92 WeakPolarHBondContact O-CA 3.45Å; Y25-A93 WeakPolarHBondContact CB-O 3.4Å; Y25-A93 PolarHBondContact N-O 2.77Å; Y25-A93 PolarHBondContact O-N 3.49Å
26K94.8Very high91.2Very high32 Ų3279.8 Ų79.814%0.13938%0.382CS..EExtended strand (participates in β ladder)trans-101.1127.7179.1-177.5178.2174.6-68.50110.7Y34 Y35 F39 F92K26-Y34 WeakPolarHBondContact O-CA 3.29Å; K26-Y35 PolarHBondContact N-O 3.04Å; K26-Y35 PolarHBondContact O-N 2.91Å; K26-F39 HydrophobicContact CB-CE2 4.42Å; K26-F39 HydrophobicContact CB-CZ 3.99Å; K26-F39 HydrophobicContact CD-CZ 4Å; K26-F39 HydrophobicContact CG-CZ 4.41Å; K26-F92 HydrophobicContact CB-CD1 4.06Å; K26-F92 HydrophobicContact CB-CE1 4.14Å; K26-F92 HydrophobicContact CD-CE1 4.07Å; K26-F92 HydrophobicContact CG-CD1 4.12Å; K26-F92 HydrophobicContact CG-CE1 3.8Å
27K92.7Very high91.5Very high56 Ų5681 Ų8124%0.24338%0.381CS..EExtended strand (participates in β ladder)trans-70.6133.3175-161.5175.5-178.7173.40110.7A32 Y34 R91K27-A32 VanDerWaalsContact CE-CA 3.43Å; K27-A32 VanDerWaalsContact CE-CB 3.48Å; K27-A32 WeakPolarHBondContact CE-O 3.37Å; K27-Y34 HydrophobicContact CB-CD1 4.04Å; K27-Y34 HydrophobicContact CB-CE1 3.69Å; K27-Y34 HydrophobicContact CB-CE2 4.35Å; K27-Y34 HydrophobicContact CB-CG 4.49Å; K27-Y34 HydrophobicContact CD-CE2 4.09Å; K27-Y34 HydrophobicContact CG-CD2 4.41Å; K27-Y34 HydrophobicContact CG-CE1 4.32Å; K27-Y34 HydrophobicContact CG-CE2 4.07Å; K27-R91 HydrophobicContact CB-CB 3.89Å; K27-R91 WeakPolarHBondContact CB-O 3.47Å; K27-R91 HydrophobicContact CD-CB 4.17Å; K27-R91 PolarHBondContact N-O 3.46Å
28K88.4Confident91.7Very high88 Ų8877.9 Ų77.938%0.38336%0.356SS..PPolyproline II helixtrans-79.3134.1168.6-169.2175-179.1-177.30109.2R30 N31 A32 T33 Y35K28-R30 PolarHBondContact O-N 2.97Å; K28-N31 HydrophobicContact CD-CB 4.38Å; K28-A32 PolarHBondContact O-N 3Å; K28-T33 PolarHBondContact N-O 3.4Å; K28-Y35 HydrophobicContact CB-CD2 4.32Å; K28-Y35 HydrophobicContact CB-CE2 4.07Å; K28-Y35 HydrophobicContact CD-CE2 3.98Å
29E78.6Confident91.8Very high146 Ų14675 Ų7568%0.68234%0.339SS*.THydrogen-bonded Turntrans-62.1-44.4-177.6-172.2167.9-160.100112.3K88E29-K88 VanDerWaalsContact OE2-CE 3.28Å; E29-K88 WeakPolarHBondContact OE2-CE 3.43Å; E29-K88 IonicContact OE2-NZ 2.68Å; E29-K88 PolarHBondContact OE2-NZ 2.91Å
30R81Confident91.9Very high223 Ų22371 Ų7184%0.84232%0.317SS*.THydrogen-bonded Turntrans-77.1-38.1-174.5-167.2-179.6175.2172.3-1.8115K28K28-R30 PolarHBondContact O-N 2.97Å
31N77.3Confident91.9Very high87 Ų8769.2 Ų69.247%0.46531%0.31SS..THydrogen-bonded Turntrans-116.64.7-166.5-63.15.4000113.6K28 T33K28-N31 HydrophobicContact CD-CB 4.38Å; N31-T33 PolarHBondContact O-N 3.28Å; N31-T33 PolarHBondContact O-OG1 2.93Å
32A82.6Confident91.8Very high55 Ų5564.7 Ų64.746%0.45529%0.288SS..  trans54.50.2-175.200000117K27 K28K27-A32 VanDerWaalsContact CE-CA 3.43Å; K27-A32 VanDerWaalsContact CE-CB 3.48Å; K27-A32 WeakPolarHBondContact CE-O 3.37Å; K28-A32 PolarHBondContact O-N 3Å
33T89.4Confident91.6Very high65 Ų6566.6 Ų66.640%0.39930%0.303SS..  trans-71.3141.7177.5-38.10000111.4K28 N31 Y35K28-T33 PolarHBondContact N-O 3.4Å; N31-T33 PolarHBondContact O-N 3.28Å; N31-T33 PolarHBondContact O-OG1 2.93Å; T33-Y35 HydrophobicContact CG2-CE2 4.23Å
34Y91.8Very high91.4Very high88 Ų8866 Ų6635%0.34531%0.305SS..EExtended strand (participates in β ladder)trans-92.9135.6173.1-77.6-92.9000111.1K26 K27 A93K26-Y34 WeakPolarHBondContact O-CA 3.29Å; K27-Y34 HydrophobicContact CB-CD1 4.04Å; K27-Y34 HydrophobicContact CB-CE1 3.69Å; K27-Y34 HydrophobicContact CB-CE2 4.35Å; K27-Y34 HydrophobicContact CB-CG 4.49Å; K27-Y34 HydrophobicContact CD-CE2 4.09Å; K27-Y34 HydrophobicContact CG-CD2 4.41Å; K27-Y34 HydrophobicContact CG-CE1 4.32Å; K27-Y34 HydrophobicContact CG-CE2 4.07Å; Y34-A93 HydrophobicContact CD1-CB 4.34Å; Y34-A93 HydrophobicContact CE1-CB 4.08Å
35Y93.3Very high91.3Very high95 Ų9567.1 Ų67.137%0.37331%0.311SS..EExtended strand (participates in β ladder)trans-120.3132.4175.3-69.5-84.7000110.7Y25 K26 K28 T33 R37Y25-Y35 CarbonylContact C-O 3.54Å; Y25-Y35 WeakPolarHBondContact CA-O 3.34Å; K26-Y35 PolarHBondContact N-O 3.04Å; K26-Y35 PolarHBondContact O-N 2.91Å; K28-Y35 HydrophobicContact CB-CD2 4.32Å; K28-Y35 HydrophobicContact CB-CE2 4.07Å; K28-Y35 HydrophobicContact CD-CE2 3.98Å; T33-Y35 HydrophobicContact CG2-CE2 4.23Å; Y35-R37 PolarHBondContact O-N 3.07Å
36R95Very high91.3Very high126 Ų12662.8 Ų62.848%0.47529%0.294SS..EExtended strand (participates in β ladder)trans-67.9126.4171.8-169.9174.7172-145.90.2109.6Y23 Y25Y23-R36 HydrophobicContact CD1-CG 3.73Å; Y23-R36 VanDerWaalsContact CD1-NE 3.31Å; Y23-R36 HydrophobicContact CE1-CG 4.43Å; Y23-R36 HydrophobicContact CG-CG 4.33Å; Y25-R36 HydrophobicContact CD1-CB 3.95Å; Y25-R36 HydrophobicContact CE1-CB 3.7Å; Y25-R36 HydrophobicContact CE1-CG 4.16Å
37R96.3Very high91.3Very high60 Ų6061.2 Ų61.223%0.22629%0.287CS..EExtended strand (participates in β ladder)trans-137.2148.1177.3-63.6-64.7-178.8-108.310109.7Y23 L24 Y35 F39 Q49Y23-R37 WeakPolarHBondContact CA-O 3.44Å; L24-R37 PolarHBondContact N-O 3.13Å; L24-R37 PolarHBondContact O-N 3.2Å; Y35-R37 PolarHBondContact O-N 3.07Å; R37-F39 HydrophobicContact CB-CD2 4.2Å; R37-F39 HydrophobicContact CB-CE2 3.61Å; R37-F39 HydrophobicContact CB-CZ 4.24Å; R37-F39 WeakPolarHBondContact O-CD2 3.46Å; R37-Q49 WeakPolarHBondContact CA-O 3.32Å; R37-Q49 WeakPolarHBondContact CB-O 3.44Å; R37-Q49 WeakPolarHBondContact CD-O 3.44Å
38W96.6Very high91.5Very high38 Ų3860.6 Ų60.614%0.14428%0.284CS..EExtended strand (participates in β ladder)trans-82.2124.8170.8-176.9-103.4000108.6E21 G22 Y23 V40 Y48 Q49 P52E21-W38 HydrophobicContact CB-CZ2 3.77Å; E21-W38 HydrophobicContact CG-CH2 4.4Å; E21-W38 HydrophobicContact CG-CZ2 3.81Å; G22-W38 VanDerWaalsContact CA-CZ3 3.46Å; Y23-W38 HydrophobicContact CD1-CB 4.45Å; Y23-W38 HydrophobicContact CD1-CE3 4.04Å; Y23-W38 AromaticContact CD2-CE3 3.58Å; Y23-W38 HydrophobicContact CD2-CE3 3.58Å; Y23-W38 AromaticContact CD2-CZ3 3.62Å; Y23-W38 HydrophobicContact CD2-CZ3 3.62Å; Y23-W38 HydrophobicContact CE1-CB 4.22Å; Y23-W38 AromaticContact CE1-CE3 3.97Å; Y23-W38 HydrophobicContact CE1-CE3 3.97Å; Y23-W38 AromaticContact CE2-CE3 3.48Å; Y23-W38 HydrophobicContact CE2-CE3 3.48Å; Y23-W38 VanDerWaalsContact CE2-CE3 3.48Å; Y23-W38 AromaticContact CE2-CZ3 3.57Å; Y23-W38 HydrophobicContact CE2-CZ3 3.57Å; Y23-W38 AromaticContact CG-CE3 3.87Å; Y23-W38 HydrophobicContact CG-CE3 3.87Å; Y23-W38 HydrophobicContact CG-CZ3 4.31Å; Y23-W38 AromaticContact CZ-CE3 3.7Å; W38-V40 VanDerWaalsContact NE1-CG2 3.33Å; W38-Y48 CarbonylContact O-C 3.51Å; W38-Y48 VanDerWaalsContact O-CA 3.23Å; W38-Y48 WeakPolarHBondContact O-CA 3.46Å; W38-Q49 PolarHBondContact N-O 3.19Å; W38-Q49 PolarHBondContact O-N 3.17Å; W38-P52 HydrophobicContact CD2-CB 3.9Å; W38-P52 HydrophobicContact CE3-CB 4.36Å; W38-P52 HydrophobicContact CG-CB 4.13Å; W38-P52 HydrophobicContact CZ2-CB 4.28Å
39F97.1Very high91.8Very high0 Ų056.9 Ų56.90%027%0.268CS..EExtended strand (participates in β ladder)trans-109.7141.8178.8-75.6-97.2000110.4E21 G22 L24 K26 R37 L46 F47 Y48 F92 W103E21-F39 CarbonylContact C-O 3.49Å; E21-F39 WeakPolarHBondContact CA-O 3.43Å; E21-F39 WeakPolarHBondContact CB-O 3.43Å; G22-F39 PolarHBondContact N-O 2.92Å; G22-F39 PolarHBondContact O-N 3.36Å; L24-F39 HydrophobicContact CB-CD2 3.58Å; L24-F39 HydrophobicContact CB-CE2 3.61Å; L24-F39 HydrophobicContact CB-CG 4.48Å; L24-F39 HydrophobicContact CD1-CB 4.47Å; L24-F39 HydrophobicContact CD1-CD2 4.03Å; L24-F39 HydrophobicContact CD1-CE2 4.42Å; L24-F39 HydrophobicContact CD1-CG 4.13Å; L24-F39 HydrophobicContact CG-CD2 4.15Å; K26-F39 HydrophobicContact CB-CE2 4.42Å; K26-F39 HydrophobicContact CB-CZ 3.99Å; K26-F39 HydrophobicContact CD-CZ 4Å; K26-F39 HydrophobicContact CG-CZ 4.41Å; R37-F39 HydrophobicContact CB-CD2 4.2Å; R37-F39 HydrophobicContact CB-CE2 3.61Å; R37-F39 HydrophobicContact CB-CZ 4.24Å; R37-F39 WeakPolarHBondContact O-CD2 3.46Å; F39-L46 HydrophobicContact CB-CD1 4.19Å; F39-L46 HydrophobicContact CD1-CD1 3.86Å; F39-L46 HydrophobicContact CD1-CD2 3.97Å; F39-L46 HydrophobicContact CD1-CG 3.8Å; F39-L46 HydrophobicContact CE1-CD2 4.22Å; F39-L46 HydrophobicContact CE1-CG 4.4Å; F39-L46 HydrophobicContact CG-CD1 4.49Å; F39-F47 VanDerWaalsContact CA-O 3.29Å; F39-F47 WeakPolarHBondContact CA-O 3.45Å; F39-Y48 VanDerWaalsContact CE1-CB 3.49Å; F39-Y48 HydrophobicContact CE1-CD1 4.21Å; F39-Y48 HydrophobicContact CE1-CG 4.06Å; F39-Y48 HydrophobicContact CZ-CG 4.32Å; F39-F92 HydrophobicContact CE1-CD1 4.37Å; F39-F92 AromaticContact CE1-CE1 3.65Å; F39-F92 HydrophobicContact CE1-CE1 3.65Å; F39-F92 HydrophobicContact CE1-CZ 4.37Å; F39-F92 AromaticContact CZ-CD1 3.94Å; F39-F92 HydrophobicContact CZ-CD1 3.94Å; F39-F92 AromaticContact CZ-CE1 3.54Å; F39-F92 HydrophobicContact CZ-CE1 3.54Å; F39-W103 HydrophobicContact CB-CH2 3.49Å; F39-W103 VanDerWaalsContact CB-CH2 3.49Å; F39-W103 HydrophobicContact CB-CZ2 3.91Å; F39-W103 HydrophobicContact CB-CZ3 4.21Å
40V96.7Very high92.5Very high8 Ų854.7 Ų54.75%0.04826%0.258CS..EExtended strand (participates in β ladder)trans-132.1118.4174.1-175.80000107.6L12 V18 E21 W38 K42 F47L12-V40 HydrophobicContact CD1-CB 3.9Å; L12-V40 HydrophobicContact CD1-CG1 3.79Å; L12-V40 HydrophobicContact CD1-CG2 4.32Å; V18-V40 HydrophobicContact CG1-CG1 3.89Å; V18-V40 HydrophobicContact CG2-CG1 4.07Å; E21-V40 HydrophobicContact CB-CG2 4.22Å; W38-V40 VanDerWaalsContact NE1-CG2 3.33Å; V40-K42 HydrophobicContact CG1-CG 4.21Å; V40-F47 HydrophobicContact CB-CB 4.45Å; V40-F47 PolarHBondContact N-O 3.49Å; V40-F47 PolarHBondContact O-N 3.1Å
41L96.6Very high93.1Very high0 Ų052.2 Ų52.20%025%0.248CC..EExtended strand (participates in β ladder)trans-96.6120.2173.7-179.564.1000108.7D19 K20 L46 L63 W103 A106 L107 A110D19-L41 HydrophobicContact CB-CD2 4.14Å; D19-L41 HydrophobicContact CB-CG 4.13Å; D19-L41 PolarHBondContact N-O 3.43Å; K20-L41 HydrophobicContact CB-CB 4.36Å; K20-L41 PolarHBondContact N-O 2.98Å; K20-L41 WeakPolarHBondContact O-CB 3.43Å; K20-L41 PolarHBondContact O-N 3.48Å; L41-L46 HydrophobicContact CB-CD1 4.08Å; L41-L46 HydrophobicContact CD1-CB 4.27Å; L41-L46 HydrophobicContact CD1-CD1 4.3Å; L41-L63 HydrophobicContact CD1-CD1 3.5Å; L41-L63 VanDerWaalsContact CD1-CD1 3.5Å; L41-W103 HydrophobicContact CB-CZ3 4.31Å; L41-A106 HydrophobicContact CD2-CB 3.78Å; L41-L107 HydrophobicContact CD1-CD2 4.39Å; L41-L107 HydrophobicContact CD2-CD2 4.4Å; L41-A110 HydrophobicContact CD1-CB 4Å; L41-A110 HydrophobicContact CD2-CB 4Å; L41-A110 HydrophobicContact CG-CB 4.38Å
42K94.8Very high93.7Very high7 Ų750.9 Ų50.93%0.0324%0.244CC..EExtended strand (participates in β ladder)trans-131.9118172.9-78.6-176.5160.3-169.70108.8F11 L12 C14 S16 V18 V40 N44 L45 F47F11-K42 HydrophobicContact CE1-CB 3.8Å; F11-K42 HydrophobicContact CE1-CD 4.41Å; F11-K42 HydrophobicContact CZ-CB 4.4Å; F11-K42 PolarHBondContact O-NZ 2.93Å; L12-K42 PolarHBondContact O-NZ 3.15Å; C14-K42 PolarHBondContact O-NZ 3.27Å; S16-K42 VanDerWaalsContact O-CE 3.32Å; S16-K42 WeakPolarHBondContact O-CE 3.44Å; S16-K42 PolarHBondContact O-NZ 3.18Å; S16-K42 WeakPolarHBondContact OG-CE 3.36Å; S16-K42 PolarHBondContact OG-NZ 3.46Å; V18-K42 HydrophobicContact CG2-CD 4.26Å; V18-K42 HydrophobicContact CG2-CG 4.03Å; V40-K42 HydrophobicContact CG1-CG 4.21Å; K42-N44 PolarHBondContact O-N 3.22Å; K42-L45 PolarHBondContact N-O 3.36Å; K42-L45 PolarHBondContact O-N 3.49Å; K42-F47 HydrophobicContact CB-CE2 4.29Å
43A91.8Very high93.7Very high53 Ų5353 Ų5344%0.43826%0.262SS..THydrogen-bonded Turntrans52-122.2-172.500000110.5D19 A110D19-A43 WeakPolarHBondContact OD2-CA 3.38Å; D19-A43 PolarHBondContact OD2-N 3.01Å; A43-A110 VanDerWaalsContact O-CB 3.27Å; A43-A110 WeakPolarHBondContact O-CB 3.43Å
44N92.8Very high93.5Very high66 Ų6652.6 Ų52.635%0.35326%0.257SS..THydrogen-bonded Turntrans-95.913.5178.866.9-38.2000113.7K42 L63K42-N44 PolarHBondContact O-N 3.22Å; N44-L63 WeakPolarHBondContact O-CB 3.35Å; N44-L63 PolarHBondContact O-N 2.89Å
45L94.1Very high92.9Very high24 Ų2459.3 Ų59.313%0.12628%0.282CS..EExtended strand (participates in β ladder)trans-114.2121.6-177.2-59.6-179.6000110.8L8 F11 K42 F47 V60 V62L8-L45 HydrophobicContact CD2-CD1 4.49Å; F11-L45 HydrophobicContact CD1-CD1 4.06Å; F11-L45 HydrophobicContact CE1-CD1 3.96Å; K42-L45 PolarHBondContact N-O 3.36Å; K42-L45 PolarHBondContact O-N 3.49Å; L45-F47 HydrophobicContact CB-CD2 4.29Å; L45-F47 HydrophobicContact CB-CE2 3.48Å; L45-F47 VanDerWaalsContact CB-CE2 3.48Å; L45-F47 HydrophobicContact CB-CZ 3.64Å; L45-F47 HydrophobicContact CD1-CE2 4.25Å; L45-F47 HydrophobicContact CD1-CZ 3.68Å; L45-F47 HydrophobicContact CG-CZ 4.31Å; L45-V60 HydrophobicContact CB-CG2 4.11Å; L45-V60 HydrophobicContact CD2-CG2 4.15Å; L45-V62 HydrophobicContact CD2-CB 4.31Å; L45-V62 HydrophobicContact CD2-CG1 4.21Å; L45-V62 HydrophobicContact CD2-CG2 3.86Å
46L95.9Very high92.5Very high1 Ų159.6 Ų59.61%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-103.3102.2174.7-178.368.2000109.5F39 L41 I61 L63 L81 F92 W103 L107F39-L46 HydrophobicContact CB-CD1 4.19Å; F39-L46 HydrophobicContact CD1-CD1 3.86Å; F39-L46 HydrophobicContact CD1-CD2 3.97Å; F39-L46 HydrophobicContact CD1-CG 3.8Å; F39-L46 HydrophobicContact CE1-CD2 4.22Å; F39-L46 HydrophobicContact CE1-CG 4.4Å; F39-L46 HydrophobicContact CG-CD1 4.49Å; L41-L46 HydrophobicContact CB-CD1 4.08Å; L41-L46 HydrophobicContact CD1-CB 4.27Å; L41-L46 HydrophobicContact CD1-CD1 4.3Å; L46-I61 HydrophobicContact CB-CB 4.26Å; L46-I61 HydrophobicContact CD2-CD1 4.3Å; L46-I61 PolarHBondContact N-O 3.01Å; L46-I61 PolarHBondContact O-N 2.87Å; L46-L63 HydrophobicContact CB-CD1 4.44Å; L46-L63 HydrophobicContact CB-CD2 4.26Å; L46-L63 HydrophobicContact CB-CG 4.4Å; L46-L81 HydrophobicContact CD2-CD1 4.15Å; L46-F92 HydrophobicContact CD2-CZ 4.45Å; L46-W103 HydrophobicContact CD1-CZ3 4.01Å; L46-L107 HydrophobicContact CD1-CD2 4.25Å; L46-L107 HydrophobicContact CD2-CD2 3.9Å
47F95.6Very high92.3Very high0 Ų054.2 Ų54.20%027%0.267CS..EExtended strand (participates in β ladder)trans-84.4148.7176.3-58.8-83.5000110.5L8 F11 L12 F39 V40 K42 L45 L57 V60L8-F47 HydrophobicContact CB-CE1 4.14Å; L8-F47 HydrophobicContact CD2-CE1 4.09Å; F11-F47 AromaticContact CD1-CE2 3.87Å; F11-F47 HydrophobicContact CD1-CE2 3.87Å; F11-F47 AromaticContact CD1-CZ 3.67Å; F11-F47 HydrophobicContact CD1-CZ 3.67Å; F11-F47 HydrophobicContact CE1-CE2 4.11Å; F11-F47 HydrophobicContact CE1-CZ 4.25Å; L12-F47 HydrophobicContact CD1-CB 4.08Å; L12-F47 HydrophobicContact CD1-CD2 3.85Å; L12-F47 HydrophobicContact CD1-CG 3.93Å; L12-F47 HydrophobicContact CD2-CB 4.18Å; L12-F47 HydrophobicContact CD2-CD1 4.42Å; L12-F47 HydrophobicContact CD2-CG 4.27Å; L12-F47 HydrophobicContact CG-CG 4.5Å; F39-F47 VanDerWaalsContact CA-O 3.29Å; F39-F47 WeakPolarHBondContact CA-O 3.45Å; V40-F47 HydrophobicContact CB-CB 4.45Å; V40-F47 PolarHBondContact N-O 3.49Å; V40-F47 PolarHBondContact O-N 3.1Å; K42-F47 HydrophobicContact CB-CE2 4.29Å; L45-F47 HydrophobicContact CB-CD2 4.29Å; L45-F47 HydrophobicContact CB-CE2 3.48Å; L45-F47 VanDerWaalsContact CB-CE2 3.48Å; L45-F47 HydrophobicContact CB-CZ 3.64Å; L45-F47 HydrophobicContact CD1-CE2 4.25Å; L45-F47 HydrophobicContact CD1-CZ 3.68Å; L45-F47 HydrophobicContact CG-CZ 4.31Å; F47-L57 HydrophobicContact CB-CD1 3.89Å; F47-L57 HydrophobicContact CD1-CD1 3.71Å; F47-L57 HydrophobicContact CD1-CD2 3.83Å; F47-L57 HydrophobicContact CD1-CG 4.44Å; F47-L57 HydrophobicContact CE1-CD2 4.2Å; F47-L57 HydrophobicContact CG-CD1 4.28Å; F47-V60 HydrophobicContact CD1-CB 4.05Å; F47-V60 HydrophobicContact CD1-CG2 3.83Å; F47-V60 HydrophobicContact CE1-CB 4.11Å; F47-V60 HydrophobicContact CE1-CG2 3.65Å; F47-V60 HydrophobicContact CG-CG2 4.48Å; F47-V60 HydrophobicContact CZ-CG2 4.14Å
48Y95.8Very high92.2Very high42 Ų4254.3 Ų54.317%0.16527%0.272CS..EExtended strand (participates in β ladder)trans-137.9143168.864.3-83.9000113W38 F39 L58 G59 I61W38-Y48 CarbonylContact O-C 3.51Å; W38-Y48 VanDerWaalsContact O-CA 3.23Å; W38-Y48 WeakPolarHBondContact O-CA 3.46Å; F39-Y48 VanDerWaalsContact CE1-CB 3.49Å; F39-Y48 HydrophobicContact CE1-CD1 4.21Å; F39-Y48 HydrophobicContact CE1-CG 4.06Å; F39-Y48 HydrophobicContact CZ-CG 4.32Å; Y48-L58 HydrophobicContact CD2-CB 3.66Å; Y48-L58 HydrophobicContact CD2-CD1 4.23Å; Y48-L58 HydrophobicContact CE2-CB 3.54Å; Y48-L58 WeakPolarHBondContact O-CB 3.49Å; Y48-L58 PolarHBondContact O-N 3.39Å; Y48-L58 VanDerWaalsContact O-N 3.12Å; Y48-G59 VanDerWaalsContact CD1-O 3.22Å; Y48-G59 WeakPolarHBondContact CD1-O 3.39Å; Y48-G59 WeakPolarHBondContact CE1-O 3.49Å; Y48-G59 PolarHBondContact N-O 3.38Å; Y48-G59 PolarHBondContact O-N 3.06Å; Y48-I61 HydrophobicContact CE1-CD1 4.47Å; Y48-I61 HydrophobicContact CE1-CG1 4.27Å
49Q95.2Very high92Very high11 Ų1153.3 Ų53.35%0.05127%0.273CS..EExtended strand (participates in β ladder)trans-135.7166.4-174.9-62.3-177.8-38.900110.1L12 R37 W38 R51 D54 L57L12-Q49 VanDerWaalsContact CD2-NE2 3.26Å; R37-Q49 WeakPolarHBondContact CA-O 3.32Å; R37-Q49 WeakPolarHBondContact CB-O 3.44Å; R37-Q49 WeakPolarHBondContact CD-O 3.44Å; W38-Q49 PolarHBondContact N-O 3.19Å; W38-Q49 PolarHBondContact O-N 3.17Å; Q49-R51 PolarHBondContact OE1-O 3.01Å; Q49-D54 HydrophobicContact CB-CB 4.33Å; Q49-D54 PolarHBondContact NE2-O 3.27Å; Q49-L57 HydrophobicContact CG-CD1 4.35Å
50E93.8Very high91.9Very high100 Ų10054.9 Ų54.947%0.46728%0.282SS..SBendtrans-72.1-44.9174.8-169.3169.4164.300111L58E50-L58 HydrophobicContact CB-CD1 4.22Å
51R93.1Very high91.7Very high171 Ų17154.7 Ų54.765%0.64528%0.281SS*.SBendtrans-131.7155.9-178.9-62.8-177-171.9-174.41.7110.7Q49 D54Q49-R51 PolarHBondContact OE1-O 3.01Å; R51-D54 WeakPolarHBondContact O-CB 3.46Å; R51-D54 PolarHBondContact O-N 3.11Å
52P89.8Confident91.5Very high59 Ų5956.9 Ų56.938%0.38329%0.294SS..THydrogen-bonded Turntrans-58.7145.7168.925.1-34.2000110.4Y23 W38 D54Y23-P52 WeakPolarHBondContact OH-CD 3.49Å; W38-P52 HydrophobicContact CD2-CB 3.9Å; W38-P52 HydrophobicContact CE3-CB 4.36Å; W38-P52 HydrophobicContact CG-CB 4.13Å; W38-P52 HydrophobicContact CZ2-CB 4.28Å; P52-D54 PolarHBondContact O-N 3.39Å; P52-D54 VanDerWaalsContact O-N 3.13Å
53A82.3Confident91.4Very high99 Ų9956.6 Ų56.682%0.81829%0.293SS*.THydrogen-bonded Turntrans59.215.6-178.600000115.5
54D85.6Confident91.3Very high56 Ų5659.7 Ų59.730%0.29930%0.298SS..  trans-64.5141.3170.6-164.7-9000109.7Q49 R51 P52 H56Q49-D54 HydrophobicContact CB-CB 4.33Å; Q49-D54 PolarHBondContact NE2-O 3.27Å; R51-D54 WeakPolarHBondContact O-CB 3.46Å; R51-D54 PolarHBondContact O-N 3.11Å; P52-D54 PolarHBondContact O-N 3.39Å; P52-D54 VanDerWaalsContact O-N 3.13Å; D54-H56 VanDerWaalsContact C-N 3.34Å; D54-H56 PolarHBondContact OD1-N 3.11Å
55R78.4Confident91Very high229 Ų22959.1 Ų59.186%0.86431%0.308SS*.SBendtrans-79.3-25174.9-67.3-174.5179.1179.60.6111.3
56H85.1Confident90.9Very high102 Ų10258.1 Ų58.147%0.47230%0.303SS..SBendtrans-85.8122.1-178-169.153.3000111.1D54D54-H56 VanDerWaalsContact C-N 3.34Å; D54-H56 PolarHBondContact OD1-N 3.11Å
57L91.5Very high90.7Very high13 Ų1362.1 Ų62.17%0.06833%0.328CS..  trans-88.7116176.3-179.563.8000109.2L8 L12 F47 Q49 G59L8-L57 HydrophobicContact CB-CD2 3.74Å; L8-L57 HydrophobicContact CD1-CD2 4.23Å; L12-L57 HydrophobicContact CD2-CD1 4.14Å; F47-L57 HydrophobicContact CB-CD1 3.89Å; F47-L57 HydrophobicContact CD1-CD1 3.71Å; F47-L57 HydrophobicContact CD1-CD2 3.83Å; F47-L57 HydrophobicContact CD1-CG 4.44Å; F47-L57 HydrophobicContact CE1-CD2 4.2Å; F47-L57 HydrophobicContact CG-CD1 4.28Å; Q49-L57 HydrophobicContact CG-CD1 4.35Å; L57-G59 VanDerWaalsContact C-N 3.33Å; L57-G59 WeakPolarHBondContact CD1-O 3.47Å
58L93.1Very high90.6Very high62 Ų6263.4 Ų63.433%0.32534%0.336SS..  trans-72.9-31.3177.1-63.1176.8000111.9Y48 E50Y48-L58 HydrophobicContact CD2-CB 3.66Å; Y48-L58 HydrophobicContact CD2-CD1 4.23Å; Y48-L58 HydrophobicContact CE2-CB 3.54Å; Y48-L58 WeakPolarHBondContact O-CB 3.49Å; Y48-L58 PolarHBondContact O-N 3.39Å; Y48-L58 VanDerWaalsContact O-N 3.12Å; E50-L58 HydrophobicContact CB-CD1 4.22Å
59G92.9Very high90.5Very high16 Ų1665.6 Ų65.617%0.16535%0.347CS..EExtended strand (participates in β ladder)trans173.9171.3170.900000113.3Y48 L57Y48-G59 VanDerWaalsContact CD1-O 3.22Å; Y48-G59 WeakPolarHBondContact CD1-O 3.39Å; Y48-G59 WeakPolarHBondContact CE1-O 3.49Å; Y48-G59 PolarHBondContact N-O 3.38Å; Y48-G59 PolarHBondContact O-N 3.06Å; L57-G59 VanDerWaalsContact C-N 3.33Å; L57-G59 WeakPolarHBondContact CD1-O 3.47Å
60V94.3Very high90.3Very high34 Ų3471.4 Ų71.421%0.20638%0.376CS..EExtended strand (participates in β ladder)trans-124.8142.1175.865.90000109.2L8 L45 F47L8-V60 HydrophobicContact CD1-CB 4.32Å; L8-V60 HydrophobicContact CD1-CG1 3.59Å; L8-V60 HydrophobicContact CD2-CG1 4.29Å; L45-V60 HydrophobicContact CB-CG2 4.11Å; L45-V60 HydrophobicContact CD2-CG2 4.15Å; F47-V60 HydrophobicContact CD1-CB 4.05Å; F47-V60 HydrophobicContact CD1-CG2 3.83Å; F47-V60 HydrophobicContact CE1-CB 4.11Å; F47-V60 HydrophobicContact CE1-CG2 3.65Å; F47-V60 HydrophobicContact CG-CG2 4.48Å; F47-V60 HydrophobicContact CZ-CG2 4.14Å
61I93.6Very high90.2Very high3 Ų369.4 Ų69.42%0.01537%0.368CS..EExtended strand (participates in β ladder)trans-115.1119170.7-56.6170.9000106.4L46 Y48 L63 L81 F83 Y90 F92L46-I61 HydrophobicContact CB-CB 4.26Å; L46-I61 HydrophobicContact CD2-CD1 4.3Å; L46-I61 PolarHBondContact N-O 3.01Å; L46-I61 PolarHBondContact O-N 2.87Å; Y48-I61 HydrophobicContact CE1-CD1 4.47Å; Y48-I61 HydrophobicContact CE1-CG1 4.27Å; I61-L63 HydrophobicContact CG2-CD2 4.24Å; I61-L81 HydrophobicContact CG2-CD1 4.47Å; I61-F83 HydrophobicContact CG2-CE2 4.26Å; I61-F83 HydrophobicContact CG2-CZ 3.71Å; I61-Y90 HydrophobicContact CD1-CD1 3.58Å; I61-Y90 HydrophobicContact CD1-CD2 4.26Å; I61-Y90 HydrophobicContact CD1-CE1 3.69Å; I61-Y90 HydrophobicContact CD1-CE2 4.36Å; I61-Y90 HydrophobicContact CD1-CG 3.86Å; I61-Y90 HydrophobicContact CG1-CD1 4.3Å; I61-Y90 HydrophobicContact CG1-CE1 3.9Å; I61-Y90 HydrophobicContact CG1-CE2 4.33Å; I61-Y90 HydrophobicContact CG2-CD2 4.23Å; I61-Y90 HydrophobicContact CG2-CE2 3.92Å; I61-F92 HydrophobicContact CD1-CZ 3.88Å
62V93Very high89.7Confident47 Ų4769.3 Ų69.329%0.28538%0.38SS..EExtended strand (participates in β ladder)trans-82.8123.2174.4-174.30000107.4L3 L45 E64 F83L3-V62 HydrophobicContact CD1-CG2 4.05Å; L45-V62 HydrophobicContact CD2-CB 4.31Å; L45-V62 HydrophobicContact CD2-CG1 4.21Å; L45-V62 HydrophobicContact CD2-CG2 3.86Å; V62-E64 HydrophobicContact CG1-CB 3.92Å; V62-E64 PolarHBondContact O-N 3.27Å; V62-E64 VanDerWaalsContact O-N 3.13Å; V62-F83 WeakPolarHBondContact O-CE1 3.46Å
63L92.5Very high89.3Confident0 Ų069.2 Ų69.20%038%0.381CS..  trans-83.927.8-176.3-58.5-179.1000113L41 N44 L46 I61 C66 L81 L107 A110L41-L63 HydrophobicContact CD1-CD1 3.5Å; L41-L63 VanDerWaalsContact CD1-CD1 3.5Å; N44-L63 WeakPolarHBondContact O-CB 3.35Å; N44-L63 PolarHBondContact O-N 2.89Å; L46-L63 HydrophobicContact CB-CD1 4.44Å; L46-L63 HydrophobicContact CB-CD2 4.26Å; L46-L63 HydrophobicContact CB-CG 4.4Å; I61-L63 HydrophobicContact CG2-CD2 4.24Å; L63-C66 PolarHBondContact O-SG 3.4Å; L63-C66 VanDerWaalsContact O-SG 3.34Å; L63-L81 HydrophobicContact CD2-CD1 3.71Å; L63-L107 HydrophobicContact CD1-CD2 3.76Å; L63-L107 HydrophobicContact CD2-CD2 4.23Å; L63-A110 HydrophobicContact CD1-CB 3.79Å
64E89.5Confident88.3Confident118 Ų11872.8 Ų72.855%0.55139%0.387SS*.THydrogen-bonded Turntrans-80.8126.2175.8-170.5-179.9173.800109.6V62 C66V62-E64 HydrophobicContact CG1-CB 3.92Å; V62-E64 PolarHBondContact O-N 3.27Å; V62-E64 VanDerWaalsContact O-N 3.13Å; E64-C66 PolarHBondContact O-N 3.01Å
65G86.3Confident87.6Confident54 Ų5473.5 Ų73.556%0.55741%0.407SS*.THydrogen-bonded Turntrans63.622.4-177.600000114.3
66C91.6Very high87.8Confident3 Ų369.4 Ų69.42%0.0240%0.396CS..  trans-85.9142.8175.877.30000111.8L63 E64 Q82 F83L63-C66 PolarHBondContact O-SG 3.4Å; L63-C66 VanDerWaalsContact O-SG 3.34Å; E64-C66 PolarHBondContact O-N 3.01Å; C66-Q82 CarbonylContact C-O 3.39Å; C66-Q82 WeakPolarHBondContact CA-O 3.15Å; C66-F83 HydrophobicContact CB-CD1 4.05Å; C66-F83 HydrophobicContact CB-CE1 3.49Å; C66-F83 VanDerWaalsContact CB-CE1 3.49Å; C66-F83 HydrophobicContact CB-CE2 4.25Å; C66-F83 HydrophobicContact CB-CZ 3.62Å
67T91.6Very high88.1Confident85 Ų8568 Ų6852%0.52139%0.388SS..EExtended strand (participates in β ladder)trans-117.8124.3168.5-45.30000108.3Q82T67-Q82 PolarHBondContact N-O 3.33Å; T67-Q82 PolarHBondContact O-N 3.46Å
68V93.8Very high88.2Confident28 Ų2867.8 Ų67.817%0.1739%0.388CS..EExtended strand (participates in β ladder)trans-84.2121.9176.8-165.80000108.5F79 A80 L81 V104 L107V68-F79 HydrophobicContact CG1-CD2 4.47Å; V68-A80 WeakPolarHBondContact CA-O 3.22Å; V68-L81 HydrophobicContact CB-CD2 4.32Å; V68-L81 HydrophobicContact CG1-CD2 4.32Å; V68-L81 HydrophobicContact CG2-CD2 3.73Å; V68-V104 HydrophobicContact CG1-CB 4.35Å; V68-V104 HydrophobicContact CG1-CG1 3.95Å; V68-V104 HydrophobicContact CG1-CG2 4.13Å; V68-L107 HydrophobicContact CG2-CB 3.85Å
69Q93.1Very high88.3Confident87 Ų8764.9 Ų64.941%0.40737%0.373SS..EExtended strand (participates in β ladder)trans-114.9130.7173.9-75.517914.500110.1L71 F79 A80Q69-L71 HydrophobicContact CB-CD1 4.38Å; Q69-L71 WeakPolarHBondContact O-CD1 3.33Å; Q69-F79 CarbonylContact O-C 3.5Å; Q69-F79 VanDerWaalsContact O-CA 3.27Å; Q69-F79 WeakPolarHBondContact O-CA 3.37Å; Q69-F79 WeakPolarHBondContact O-CB 3.37Å; Q69-A80 PolarHBondContact N-O 2.91Å; Q69-A80 PolarHBondContact O-N 3.23Å
70M92.4Very high88.4Confident133 Ų13364.3 Ų64.366%0.65537%0.366SS*.EExtended strand (participates in β ladder)trans-79.3140.4166.5-61.2-170.8-58.700108.5V104M70-V104 HydrophobicContact CG-CG1 4.32Å; M70-V104 HydrophobicContact CG-CG2 4.29Å; M70-V104 HydrophobicContact SD-CG1 4.47Å
71L90.8Very high88.4Confident58 Ų5862.7 Ų62.730%0.30436%0.357SS..  trans-117.2141.9175.9-77.979.8000107.8Q69 P78 A80Q69-L71 HydrophobicContact CB-CD1 4.38Å; Q69-L71 WeakPolarHBondContact O-CD1 3.33Å; L71-P78 HydrophobicContact CB-CB 4.2Å; L71-P78 HydrophobicContact CB-CG 3.83Å; L71-P78 PolarHBondContact N-O 3.04Å; L71-P78 WeakPolarHBondContact O-CG 3.4Å; L71-A80 HydrophobicContact CD1-CB 3.62Å
72D83.4Confident88.4Confident169 Ų16966.5 Ų66.590%0.90437%0.374SS*.  trans-86.6132.3172.6-59.8-36.1000109.2
73S80.8Confident88.3Confident57 Ų5765.2 Ų65.240%0.39937%0.365SS..  trans-153.6148.5169.476.80000112.1G75 F76 P78S73-G75 PolarHBondContact O-N 3.1Å; S73-F76 PolarHBondContact OG-O 2.98Å; S73-P78 WeakPolarHBondContact OG-CD 3.45Å; S73-P78 VanDerWaalsContact OG-CG 3.26Å; S73-P78 WeakPolarHBondContact OG-CG 3.42Å
74D61.3Low87.9Confident175 Ų17567.3 Ų67.394%0.93639%0.387SS*.SBendtrans-74.1104.8173-73.5-32000110.7
75G70.2Confident87.6Confident70 Ų7067.9 Ų67.972%0.72240%0.404SS*.SBendtrans104.7-21.5164.400000116.6S73S73-G75 PolarHBondContact O-N 3.1Å
76F82.4Confident87.1Confident143 Ų14369.5 Ų69.563%0.62742%0.42SS*.SBendtrans-113.6160169.3-64.1-78.9000110S73 P78 A93S73-F76 PolarHBondContact OG-O 2.98Å; F76-P78 WeakPolarHBondContact O-CD 3.32Å; F76-A93 HydrophobicContact CB-CB 4.36Å
77F92Very high86.9Confident72 Ų7274.8 Ų74.832%0.31645%0.448SS..EExtended strand (participates in β ladder)trans-104.573.9176.8-61.5-79.7000110.5A93 A94 A97 Q100F77-A93 WeakPolarHBondContact O-CA 3.29Å; F77-A94 HydrophobicContact CB-CB 4.21Å; F77-A94 PolarHBondContact O-N 3.28Å; F77-A97 HydrophobicContact CD1-CB 3.77Å; F77-A97 HydrophobicContact CE1-CB 3.48Å; F77-A97 VanDerWaalsContact CE1-CB 3.48Å; F77-A97 HydrophobicContact CZ-CB 4.06Å; F77-Q100 HydrophobicContact CB-CB 3.92Å; F77-Q100 HydrophobicContact CB-CG 4.11Å
78P94.3Very high86.7Confident10 Ų1074.8 Ų74.87%0.06544%0.441CS..EExtended strand (participates in β ladder)trans-82.4151.7-172.534.5-37.4000113.3L71 S73 F76 F92 Q100L71-P78 HydrophobicContact CB-CB 4.2Å; L71-P78 HydrophobicContact CB-CG 3.83Å; L71-P78 PolarHBondContact N-O 3.04Å; L71-P78 WeakPolarHBondContact O-CG 3.4Å; S73-P78 WeakPolarHBondContact OG-CD 3.45Å; S73-P78 VanDerWaalsContact OG-CG 3.26Å; S73-P78 WeakPolarHBondContact OG-CG 3.42Å; F76-P78 WeakPolarHBondContact O-CD 3.32Å; P78-F92 CarbonylContact C-O 3.57Å; P78-F92 WeakPolarHBondContact CA-O 3.23Å; P78-Q100 PolarHBondContact O-NE2 2.97Å
79F95.4Very high86.6Confident1 Ų176.5 Ų76.50%0.00445%0.451CS..EExtended strand (participates in β ladder)trans-151.9160.5170.562.3-83000109.1L24 V68 Q69 F92 Q100 W103 V104 L107L24-F79 HydrophobicContact CD1-CZ 3.79Å; L24-F79 HydrophobicContact CD2-CE1 3.87Å; L24-F79 HydrophobicContact CD2-CZ 3.9Å; L24-F79 HydrophobicContact CG-CZ 4.49Å; V68-F79 HydrophobicContact CG1-CD2 4.47Å; Q69-F79 CarbonylContact O-C 3.5Å; Q69-F79 VanDerWaalsContact O-CA 3.27Å; Q69-F79 WeakPolarHBondContact O-CA 3.37Å; Q69-F79 WeakPolarHBondContact O-CB 3.37Å; F79-F92 HydrophobicContact CD1-CB 4.16Å; F79-F92 HydrophobicContact CD2-CB 4.21Å; F79-F92 HydrophobicContact CD2-CD2 4.07Å; F79-F92 HydrophobicContact CE1-CB 3.72Å; F79-F92 HydrophobicContact CE2-CB 3.76Å; F79-F92 AromaticContact CE2-CD2 3.64Å; F79-F92 HydrophobicContact CE2-CD2 3.64Å; F79-F92 AromaticContact CE2-CG 3.97Å; F79-F92 HydrophobicContact CE2-CG 3.97Å; F79-F92 HydrophobicContact CG-CB 4.4Å; F79-F92 HydrophobicContact CZ-CB 3.52Å; F79-F92 HydrophobicContact CZ-CD2 4.21Å; F79-F92 HydrophobicContact CZ-CG 4.06Å; F79-F92 PolarHBondContact N-O 2.8Å; F79-F92 PolarHBondContact O-N 2.87Å; F79-F92 VanDerWaalsContact O-O 3.1Å; F79-Q100 HydrophobicContact CD1-CG 3.89Å; F79-Q100 HydrophobicContact CE1-CG 4.48Å; F79-W103 HydrophobicContact CE1-CB 4.47Å; F79-W103 HydrophobicContact CZ-CB 4.03Å; F79-V104 HydrophobicContact CB-CG2 4.11Å; F79-V104 HydrophobicContact CD1-CG2 4.49Å; F79-V104 HydrophobicContact CD2-CG2 4.26Å; F79-V104 HydrophobicContact CG-CG2 4.05Å; F79-L107 HydrophobicContact CD2-CD1 4.35Å; F79-L107 HydrophobicContact CE2-CD1 3.57Å; F79-L107 HydrophobicContact CZ-CD1 4.35Å
80A94.6Very high86.7Confident4 Ų474.3 Ų74.33%0.03344%0.439CS..EExtended strand (participates in β ladder)trans-129.2145.3-178.400000111.7V68 Q69 L71 T89 Y90 R91V68-A80 WeakPolarHBondContact CA-O 3.22Å; Q69-A80 PolarHBondContact N-O 2.91Å; Q69-A80 PolarHBondContact O-N 3.23Å; L71-A80 HydrophobicContact CD1-CB 3.62Å; A80-T89 HydrophobicContact CB-CG2 4.2Å; A80-Y90 CarbonylContact C-O 3.55Å; A80-Y90 WeakPolarHBondContact CA-O 3.49Å; A80-R91 HydrophobicContact CB-CG 4.18Å
81L94.4Very high86.8Confident0 Ų073.5 Ų73.50%043%0.429CS..EExtended strand (participates in β ladder)trans-97.8107.9161.9-64.7177.7000107.4L46 I61 L63 V68 F83 T89 Y90 F92 L107L46-L81 HydrophobicContact CD2-CD1 4.15Å; I61-L81 HydrophobicContact CG2-CD1 4.47Å; L63-L81 HydrophobicContact CD2-CD1 3.71Å; V68-L81 HydrophobicContact CB-CD2 4.32Å; V68-L81 HydrophobicContact CG1-CD2 4.32Å; V68-L81 HydrophobicContact CG2-CD2 3.73Å; L81-F83 HydrophobicContact CB-CE2 3.71Å; L81-F83 HydrophobicContact CB-CZ 4.36Å; L81-T89 WeakPolarHBondContact O-CA 3.5Å; L81-Y90 PolarHBondContact N-O 3.2Å; L81-Y90 PolarHBondContact O-N 3.2Å; L81-F92 HydrophobicContact CB-CE2 4.3Å; L81-F92 HydrophobicContact CD1-CE2 3.69Å; L81-F92 HydrophobicContact CD1-CZ 4.23Å; L81-F92 HydrophobicContact CG-CD2 4.46Å; L81-F92 HydrophobicContact CG-CE2 3.77Å; L81-L107 HydrophobicContact CD2-CD1 4.21Å
82Q92.9Very high87Confident82 Ų8270.7 Ų70.738%0.38341%0.414SS..EExtended strand (participates in β ladder)trans-93.7132.8172.5-173.4170.31000108.9C66 T67C66-Q82 CarbonylContact C-O 3.39Å; C66-Q82 WeakPolarHBondContact CA-O 3.15Å; T67-Q82 PolarHBondContact N-O 3.33Å; T67-Q82 PolarHBondContact O-N 3.46Å
83F90.7Very high87.6Confident21 Ų2162.8 Ų62.89%0.09237%0.373CS..  trans-106.9161.6171.9-65.9-96000107.3I61 V62 C66 L81 L87 K88 Y90I61-F83 HydrophobicContact CG2-CE2 4.26Å; I61-F83 HydrophobicContact CG2-CZ 3.71Å; V62-F83 WeakPolarHBondContact O-CE1 3.46Å; C66-F83 HydrophobicContact CB-CD1 4.05Å; C66-F83 HydrophobicContact CB-CE1 3.49Å; C66-F83 VanDerWaalsContact CB-CE1 3.49Å; C66-F83 HydrophobicContact CB-CE2 4.25Å; C66-F83 HydrophobicContact CB-CZ 3.62Å; L81-F83 HydrophobicContact CB-CE2 3.71Å; L81-F83 HydrophobicContact CB-CZ 4.36Å; F83-L87 HydrophobicContact CB-CB 3.55Å; F83-L87 HydrophobicContact CB-CD1 3.94Å; F83-L87 HydrophobicContact CB-CG 4.41Å; F83-K88 WeakPolarHBondContact CD2-O 3.43Å; F83-Y90 HydrophobicContact CD2-CD2 4.08Å; F83-Y90 HydrophobicContact CD2-CE2 4.23Å; F83-Y90 AromaticContact CE2-CD2 3.53Å; F83-Y90 HydrophobicContact CE2-CD2 3.53Å; F83-Y90 AromaticContact CE2-CE2 3.76Å; F83-Y90 HydrophobicContact CE2-CE2 3.76Å; F83-Y90 HydrophobicContact CZ-CD2 4.44Å; F83-Y90 HydrophobicContact CZ-CE2 4.41Å
84G84.8Confident88.3Confident44 Ų4460.2 Ų60.245%0.45435%0.354SS..SBendtrans-45.2166.8-176.700000115.1G86 L87G84-G86 PolarHBondContact O-N 3.1Å; G84-L87 WeakPolarHBondContact O-CB 3.16Å; G84-L87 PolarHBondContact O-N 3.32Å
85S81.9Confident89.7Confident130 Ų13054.7 Ų54.791%0.90934%0.339SS*.THydrogen-bonded Turntrans-48.1124.8-172.248.20000113L87S85-L87 VanDerWaalsContact C-N 3.34Å; S85-L87 PolarHBondContact O-N 3.49Å
86G77.5Confident90.8Very high88 Ų8854.2 Ų54.291%0.90732%0.32SS*.THydrogen-bonded Turntrans83.8-3.4179.500000116G84G84-G86 PolarHBondContact O-N 3.1Å
87L85.5Confident91.4Very high114 Ų11450 Ų5060%0.59731%0.312SS*.SBendtrans-86.6164.8174.5-61.9-179.5000112.4F83 G84 S85 T89F83-L87 HydrophobicContact CB-CB 3.55Å; F83-L87 HydrophobicContact CB-CD1 3.94Å; F83-L87 HydrophobicContact CB-CG 4.41Å; G84-L87 WeakPolarHBondContact O-CB 3.16Å; G84-L87 PolarHBondContact O-N 3.32Å; S85-L87 VanDerWaalsContact C-N 3.34Å; S85-L87 PolarHBondContact O-N 3.49Å; L87-T89 PolarHBondContact O-N 3.3Å
88K88.8Confident91.5Very high85 Ų8552.1 Ų52.137%0.3732%0.322SS..PPolyproline II helixtrans-67.1125.6-176.6-179.9164.2179.8148.10111.9E29 F83 Y90E29-K88 VanDerWaalsContact OE2-CE 3.28Å; E29-K88 WeakPolarHBondContact OE2-CE 3.43Å; E29-K88 IonicContact OE2-NZ 2.68Å; E29-K88 PolarHBondContact OE2-NZ 2.91Å; F83-K88 WeakPolarHBondContact CD2-O 3.43Å; K88-Y90 HydrophobicContact CB-CE2 4.33Å; K88-Y90 HydrophobicContact CD-CE1 4.02Å; K88-Y90 HydrophobicContact CD-CE2 4.3Å; K88-Y90 HydrophobicContact CG-CD2 4.39Å; K88-Y90 HydrophobicContact CG-CE1 4.3Å; K88-Y90 HydrophobicContact CG-CE2 3.97Å
89T91.9Very high91.5Very high63 Ų6353 Ų5339%0.38733%0.328SS..PPolyproline II helixtrans-93.8128171.9-60.50000110.6A80 L81 L87A80-T89 HydrophobicContact CB-CG2 4.2Å; L81-T89 WeakPolarHBondContact O-CA 3.5Å; L87-T89 PolarHBondContact O-N 3.3Å
90Y94.1Very high91.5Very high42 Ų4254.2 Ų54.217%0.16533%0.333CS..EExtended strand (participates in β ladder)trans-101.3124.9176.1-60.7-94.7000109.8I61 A80 L81 F83 K88 F92I61-Y90 HydrophobicContact CD1-CD1 3.58Å; I61-Y90 HydrophobicContact CD1-CD2 4.26Å; I61-Y90 HydrophobicContact CD1-CE1 3.69Å; I61-Y90 HydrophobicContact CD1-CE2 4.36Å; I61-Y90 HydrophobicContact CD1-CG 3.86Å; I61-Y90 HydrophobicContact CG1-CD1 4.3Å; I61-Y90 HydrophobicContact CG1-CE1 3.9Å; I61-Y90 HydrophobicContact CG1-CE2 4.33Å; I61-Y90 HydrophobicContact CG2-CD2 4.23Å; I61-Y90 HydrophobicContact CG2-CE2 3.92Å; A80-Y90 CarbonylContact C-O 3.55Å; A80-Y90 WeakPolarHBondContact CA-O 3.49Å; L81-Y90 PolarHBondContact N-O 3.2Å; L81-Y90 PolarHBondContact O-N 3.2Å; F83-Y90 HydrophobicContact CD2-CD2 4.08Å; F83-Y90 HydrophobicContact CD2-CE2 4.23Å; F83-Y90 AromaticContact CE2-CD2 3.53Å; F83-Y90 HydrophobicContact CE2-CD2 3.53Å; F83-Y90 AromaticContact CE2-CE2 3.76Å; F83-Y90 HydrophobicContact CE2-CE2 3.76Å; F83-Y90 HydrophobicContact CZ-CD2 4.44Å; F83-Y90 HydrophobicContact CZ-CE2 4.41Å; K88-Y90 HydrophobicContact CB-CE2 4.33Å; K88-Y90 HydrophobicContact CD-CE1 4.02Å; K88-Y90 HydrophobicContact CD-CE2 4.3Å; K88-Y90 HydrophobicContact CG-CD2 4.39Å; K88-Y90 HydrophobicContact CG-CE1 4.3Å; K88-Y90 HydrophobicContact CG-CE2 3.97Å; Y90-F92 HydrophobicContact CG-CZ 4.32Å
91R94.4Very high91.6Very high115 Ų11555.8 Ų55.843%0.43435%0.351SS..EExtended strand (participates in β ladder)trans-104.9134.3174.6-62.1-171.8-173.9160.17110.3K27 A80K27-R91 HydrophobicContact CB-CB 3.89Å; K27-R91 WeakPolarHBondContact CB-O 3.47Å; K27-R91 HydrophobicContact CD-CB 4.17Å; K27-R91 PolarHBondContact N-O 3.46Å; A80-R91 HydrophobicContact CB-CG 4.18Å
92F95.8Very high91.7Very high0 Ų062 Ų620%037%0.374CS..EExtended strand (participates in β ladder)trans-126.2160.4179.7-54-78.6000110.2Y25 K26 F39 L46 I61 P78 F79 L81 Y90Y25-F92 CarbonylContact O-C 3.57Å; Y25-F92 WeakPolarHBondContact O-CA 3.45Å; K26-F92 HydrophobicContact CB-CD1 4.06Å; K26-F92 HydrophobicContact CB-CE1 4.14Å; K26-F92 HydrophobicContact CD-CE1 4.07Å; K26-F92 HydrophobicContact CG-CD1 4.12Å; K26-F92 HydrophobicContact CG-CE1 3.8Å; F39-F92 HydrophobicContact CE1-CD1 4.37Å; F39-F92 AromaticContact CE1-CE1 3.65Å; F39-F92 HydrophobicContact CE1-CE1 3.65Å; F39-F92 HydrophobicContact CE1-CZ 4.37Å; F39-F92 AromaticContact CZ-CD1 3.94Å; F39-F92 HydrophobicContact CZ-CD1 3.94Å; F39-F92 AromaticContact CZ-CE1 3.54Å; F39-F92 HydrophobicContact CZ-CE1 3.54Å; L46-F92 HydrophobicContact CD2-CZ 4.45Å; I61-F92 HydrophobicContact CD1-CZ 3.88Å; P78-F92 CarbonylContact C-O 3.57Å; P78-F92 WeakPolarHBondContact CA-O 3.23Å; F79-F92 HydrophobicContact CD1-CB 4.16Å; F79-F92 HydrophobicContact CD2-CB 4.21Å; F79-F92 HydrophobicContact CD2-CD2 4.07Å; F79-F92 HydrophobicContact CE1-CB 3.72Å; F79-F92 HydrophobicContact CE2-CB 3.76Å; F79-F92 AromaticContact CE2-CD2 3.64Å; F79-F92 HydrophobicContact CE2-CD2 3.64Å; F79-F92 AromaticContact CE2-CG 3.97Å; F79-F92 HydrophobicContact CE2-CG 3.97Å; F79-F92 HydrophobicContact CG-CB 4.4Å; F79-F92 HydrophobicContact CZ-CB 3.52Å; F79-F92 HydrophobicContact CZ-CD2 4.21Å; F79-F92 HydrophobicContact CZ-CG 4.06Å; F79-F92 PolarHBondContact N-O 2.8Å; F79-F92 PolarHBondContact O-N 2.87Å; F79-F92 VanDerWaalsContact O-O 3.1Å; L81-F92 HydrophobicContact CB-CE2 4.3Å; L81-F92 HydrophobicContact CD1-CE2 3.69Å; L81-F92 HydrophobicContact CD1-CZ 4.23Å; L81-F92 HydrophobicContact CG-CD2 4.46Å; L81-F92 HydrophobicContact CG-CE2 3.77Å; Y90-F92 HydrophobicContact CG-CZ 4.32Å
93A95.3Very high91.9Very high3 Ų358.1 Ų58.13%0.02536%0.356CS..EExtended strand (participates in β ladder)trans-137.2138.7165.700000109.8Y25 Y34 F76 F77Y25-A93 WeakPolarHBondContact CB-O 3.4Å; Y25-A93 PolarHBondContact N-O 2.77Å; Y25-A93 PolarHBondContact O-N 3.49Å; Y34-A93 HydrophobicContact CD1-CB 4.34Å; Y34-A93 HydrophobicContact CE1-CB 4.08Å; F76-A93 HydrophobicContact CB-CB 4.36Å; F77-A93 WeakPolarHBondContact O-CA 3.29Å
94A95.2Very high92.1Very high2 Ų258.1 Ų58.12%0.01736%0.358CS..EExtended strand (participates in β ladder)trans-94.8161.5170.100000110.7L24 F77 T99 Q100L24-A94 HydrophobicContact CD2-CB 4.07Å; F77-A94 HydrophobicContact CB-CB 4.21Å; F77-A94 PolarHBondContact O-N 3.28Å; A94-T99 HydrophobicContact CB-CG2 4.05Å; A94-Q100 HydrophobicContact CB-CB 3.8Å
95G92.6Very high92.7Very high60 Ų6062.9 Ų62.962%0.61937%0.366SS*.SBendtrans-75.6-24.317600000113.6
96D93.2Very high93.4Very high59 Ų5957.3 Ų57.332%0.31633%0.328SS..SBendtrans-149155.9-175.463.7-71.7000111.2Q98 T99 Q100D96-Q98 VanDerWaalsContact C-N 3.27Å; D96-Q98 PolarHBondContact O-N 3.24Å; D96-Q98 WeakPolarHBondContact OD2-CB 3.44Å; D96-Q98 PolarHBondContact OD2-N 3.03Å; D96-T99 VanDerWaalsContact CG-OG1 3.22Å; D96-T99 PolarHBondContact O-N 2.97Å; D96-T99 WeakPolarHBondContact OD1-CB 3.36Å; D96-T99 PolarHBondContact OD1-OG1 3.34Å; D96-T99 WeakPolarHBondContact OD2-CB 3.4Å; D96-T99 PolarHBondContact OD2-N 3.03Å; D96-T99 PolarHBondContact OD2-OG1 2.95Å; D96-T99 VanDerWaalsContact OD2-OG1 3.09Å; D96-Q100 PolarHBondContact O-N 3.32Å
97A93.3Very high94.3Very high55 Ų5553.2 Ų53.246%0.45529%0.285SS..Hα-helixtrans-59.1-36.8-179.900000112.7F77 Q100 G101F77-A97 HydrophobicContact CD1-CB 3.77Å; F77-A97 HydrophobicContact CE1-CB 3.48Å; F77-A97 VanDerWaalsContact CE1-CB 3.48Å; F77-A97 HydrophobicContact CZ-CB 4.06Å; A97-Q100 WeakPolarHBondContact O-CB 3.19Å; A97-Q100 PolarHBondContact O-N 3.47Å; A97-G101 PolarHBondContact O-N 2.96Å
98Q94.6Very high94.7Very high116 Ų11653 Ų5354%0.54228%0.279SS..Hα-helixtrans-68.1-45-178.6-171.9-170.157.100110.7D96 G101 R102D96-Q98 VanDerWaalsContact C-N 3.27Å; D96-Q98 PolarHBondContact O-N 3.24Å; D96-Q98 WeakPolarHBondContact OD2-CB 3.44Å; D96-Q98 PolarHBondContact OD2-N 3.03Å; Q98-G101 PolarHBondContact O-N 3Å; Q98-R102 VanDerWaalsContact CD-NH1 3.33Å; Q98-R102 WeakPolarHBondContact O-CB 3.43Å; Q98-R102 VanDerWaalsContact O-CG 3.31Å; Q98-R102 WeakPolarHBondContact O-CG 3.27Å; Q98-R102 PolarHBondContact O-N 3.26Å
99T95Very high94.9Very high30 Ų3052.1 Ų52.118%0.18428%0.278CS..Hα-helixtrans-62.6-42.9174.5-65.80000111.1A94 D96 R102 W103A94-T99 HydrophobicContact CB-CG2 4.05Å; D96-T99 VanDerWaalsContact CG-OG1 3.22Å; D96-T99 PolarHBondContact O-N 2.97Å; D96-T99 WeakPolarHBondContact OD1-CB 3.36Å; D96-T99 PolarHBondContact OD1-OG1 3.34Å; D96-T99 WeakPolarHBondContact OD2-CB 3.4Å; D96-T99 PolarHBondContact OD2-N 3.03Å; D96-T99 PolarHBondContact OD2-OG1 2.95Å; D96-T99 VanDerWaalsContact OD2-OG1 3.09Å; T99-R102 PolarHBondContact O-N 2.79Å; T99-W103 WeakPolarHBondContact O-CB 3.36Å; T99-W103 PolarHBondContact O-N 3.34Å
100Q95.6Very high95Very high25 Ų2549.4 Ų49.412%0.11726%0.263CS..Hα-helixtrans-55.5-54.4173.5-169.6-166.719.100111F77 P78 F79 A94 D96 A97 R102 W103 V104F77-Q100 HydrophobicContact CB-CB 3.92Å; F77-Q100 HydrophobicContact CB-CG 4.11Å; P78-Q100 PolarHBondContact O-NE2 2.97Å; F79-Q100 HydrophobicContact CD1-CG 3.89Å; F79-Q100 HydrophobicContact CE1-CG 4.48Å; A94-Q100 HydrophobicContact CB-CB 3.8Å; D96-Q100 PolarHBondContact O-N 3.32Å; A97-Q100 WeakPolarHBondContact O-CB 3.19Å; A97-Q100 PolarHBondContact O-N 3.47Å; Q100-R102 VanDerWaalsContact C-N 3.33Å; Q100-R102 PolarHBondContact O-N 3.19Å; Q100-W103 PolarHBondContact O-N 2.88Å; Q100-W103 VanDerWaalsContact O-N 3.09Å; Q100-V104 HydrophobicContact CG-CG2 4.35Å; Q100-V104 WeakPolarHBondContact O-CG2 3.47Å; Q100-V104 PolarHBondContact O-N 3.15Å
101G95.4Very high94.8Very high38 Ų3847.5 Ų47.539%0.39226%0.256SS..Hα-helixtrans-60-41.3-178.800000112.7A97 Q98 W103 V104 K105A97-G101 PolarHBondContact O-N 2.96Å; Q98-G101 PolarHBondContact O-N 3Å; G101-W103 PolarHBondContact O-N 3.48Å; G101-V104 PolarHBondContact O-N 3.03Å; G101-K105 VanDerWaalsContact O-CB 3.24Å; G101-K105 WeakPolarHBondContact O-CB 3.47Å; G101-K105 PolarHBondContact O-N 3.43Å
102R96.9Very high94.5Very high129 Ų12947.3 Ų47.349%0.48726%0.259SS..Hα-helixtrans-63.3-40174.7-72.8174.8176.4150.1-1.4112.1K20 Q98 T99 Q100 A106K20-R102 HydrophobicContact CD-CB 4.43Å; K20-R102 WeakPolarHBondContact CD-O 3.47Å; Q98-R102 VanDerWaalsContact CD-NH1 3.33Å; Q98-R102 WeakPolarHBondContact O-CB 3.43Å; Q98-R102 VanDerWaalsContact O-CG 3.31Å; Q98-R102 WeakPolarHBondContact O-CG 3.27Å; Q98-R102 PolarHBondContact O-N 3.26Å; T99-R102 PolarHBondContact O-N 2.79Å; Q100-R102 VanDerWaalsContact C-N 3.33Å; Q100-R102 PolarHBondContact O-N 3.19Å; R102-A106 WeakPolarHBondContact O-CB 3.47Å; R102-A106 PolarHBondContact O-N 3.25Å
103W97.4Very high94Very high1 Ų150.5 Ų50.50%0.00428%0.281CS..Hα-helixtrans-69.2-47.6176.8-85.1112.8000112.1K20 L24 F39 L41 L46 F79 T99 Q100 G101 K105 A106 L107K20-W103 HydrophobicContact CB-CH2 4.49Å; K20-W103 HydrophobicContact CB-CZ3 4.17Å; K20-W103 HydrophobicContact CD-CD2 3.76Å; K20-W103 HydrophobicContact CD-CE3 3.79Å; K20-W103 HydrophobicContact CD-CG 4.15Å; K20-W103 HydrophobicContact CD-CZ3 4.21Å; K20-W103 VanDerWaalsContact CE-CG 3.41Å; K20-W103 HydrophobicContact CG-CD2 4.22Å; K20-W103 HydrophobicContact CG-CE3 4.04Å; K20-W103 HydrophobicContact CG-CH2 4.02Å; K20-W103 HydrophobicContact CG-CZ2 4.21Å; K20-W103 HydrophobicContact CG-CZ3 3.93Å; L24-W103 HydrophobicContact CD1-CD2 3.7Å; L24-W103 HydrophobicContact CD1-CE3 4.12Å; L24-W103 HydrophobicContact CD1-CG 3.99Å; L24-W103 HydrophobicContact CD1-CZ2 4.17Å; L24-W103 VanDerWaalsContact CD2-CD1 3.47Å; L24-W103 HydrophobicContact CD2-CD2 4.44Å; L24-W103 HydrophobicContact CD2-CG 3.99Å; L24-W103 HydrophobicContact CG-CD2 4.2Å; L24-W103 HydrophobicContact CG-CG 4.27Å; L24-W103 HydrophobicContact CG-CZ2 4.28Å; F39-W103 HydrophobicContact CB-CH2 3.49Å; F39-W103 VanDerWaalsContact CB-CH2 3.49Å; F39-W103 HydrophobicContact CB-CZ2 3.91Å; F39-W103 HydrophobicContact CB-CZ3 4.21Å; L41-W103 HydrophobicContact CB-CZ3 4.31Å; L46-W103 HydrophobicContact CD1-CZ3 4.01Å; F79-W103 HydrophobicContact CE1-CB 4.47Å; F79-W103 HydrophobicContact CZ-CB 4.03Å; T99-W103 WeakPolarHBondContact O-CB 3.36Å; T99-W103 PolarHBondContact O-N 3.34Å; Q100-W103 PolarHBondContact O-N 2.88Å; Q100-W103 VanDerWaalsContact O-N 3.09Å; G101-W103 PolarHBondContact O-N 3.48Å; W103-K105 VanDerWaalsContact C-N 3.31Å; W103-K105 PolarHBondContact O-N 3.37Å; W103-A106 PolarHBondContact O-N 3.42Å; W103-L107 WeakPolarHBondContact O-CB 3.42Å; W103-L107 WeakPolarHBondContact O-CG 3.47Å; W103-L107 PolarHBondContact O-N 2.71Å
104V95.9Very high93.8Very high22 Ų2253.9 Ų53.913%0.13329%0.293CS..Hα-helixtrans-57.6-46176.9169.70000110.4V68 M70 F79 Q100 G101 L107 F108V68-V104 HydrophobicContact CG1-CB 4.35Å; V68-V104 HydrophobicContact CG1-CG1 3.95Å; V68-V104 HydrophobicContact CG1-CG2 4.13Å; M70-V104 HydrophobicContact CG-CG1 4.32Å; M70-V104 HydrophobicContact CG-CG2 4.29Å; M70-V104 HydrophobicContact SD-CG1 4.47Å; F79-V104 HydrophobicContact CB-CG2 4.11Å; F79-V104 HydrophobicContact CD1-CG2 4.49Å; F79-V104 HydrophobicContact CD2-CG2 4.26Å; F79-V104 HydrophobicContact CG-CG2 4.05Å; Q100-V104 HydrophobicContact CG-CG2 4.35Å; Q100-V104 WeakPolarHBondContact O-CG2 3.47Å; Q100-V104 PolarHBondContact O-N 3.15Å; G101-V104 PolarHBondContact O-N 3.03Å; V104-L107 PolarHBondContact O-N 3.15Å; V104-F108 VanDerWaalsContact O-CB 3.28Å; V104-F108 WeakPolarHBondContact O-CB 3.26Å; V104-F108 PolarHBondContact O-N 3.28Å
105K95.8Very high93.6Very high143 Ų14357.2 Ų57.262%0.62231%0.311SS*.Hα-helixtrans-58.9-49.8175.7-176.1176.8-179.1178.40111.8G101 W103 L107 F108 L109G101-K105 VanDerWaalsContact O-CB 3.24Å; G101-K105 WeakPolarHBondContact O-CB 3.47Å; G101-K105 PolarHBondContact O-N 3.43Å; W103-K105 VanDerWaalsContact C-N 3.31Å; W103-K105 PolarHBondContact O-N 3.37Å; K105-L107 PolarHBondContact O-N 3.31Å; K105-F108 PolarHBondContact O-N 3Å; K105-L109 HydrophobicContact CG-CD1 4.14Å; K105-L109 VanDerWaalsContact O-CG 3.29Å; K105-L109 WeakPolarHBondContact O-CG 3.28Å; K105-L109 PolarHBondContact O-N 2.76Å
106A96.8Very high93.5Very high14 Ų1457.1 Ų57.112%0.11630%0.301CS..Hα-helixtrans-63.1-43.1-17900000112.1K20 L41 R102 W103 F108 L109 A110K20-A106 HydrophobicContact CB-CB 3.84Å; K20-A106 HydrophobicContact CD-CB 3.68Å; K20-A106 HydrophobicContact CG-CB 4.39Å; L41-A106 HydrophobicContact CD2-CB 3.78Å; R102-A106 WeakPolarHBondContact O-CB 3.47Å; R102-A106 PolarHBondContact O-N 3.25Å; W103-A106 PolarHBondContact O-N 3.42Å; A106-F108 VanDerWaalsContact C-N 3.35Å; A106-F108 PolarHBondContact O-N 3.35Å; A106-L109 PolarHBondContact O-N 3.05Å; A106-A110 WeakPolarHBondContact O-CB 3.28Å; A106-A110 PolarHBondContact O-N 3.05Å
107L96.1Very high93.5Very high1 Ų157.8 Ų57.81%0.00530%0.304CS..Hα-helixtrans-66-37.3177.8-67.7167.9000112.2L41 L46 L63 V68 F79 L81 W103 V104 K105 A110 S111L41-L107 HydrophobicContact CD1-CD2 4.39Å; L41-L107 HydrophobicContact CD2-CD2 4.4Å; L46-L107 HydrophobicContact CD1-CD2 4.25Å; L46-L107 HydrophobicContact CD2-CD2 3.9Å; L63-L107 HydrophobicContact CD1-CD2 3.76Å; L63-L107 HydrophobicContact CD2-CD2 4.23Å; V68-L107 HydrophobicContact CG2-CB 3.85Å; F79-L107 HydrophobicContact CD2-CD1 4.35Å; F79-L107 HydrophobicContact CE2-CD1 3.57Å; F79-L107 HydrophobicContact CZ-CD1 4.35Å; L81-L107 HydrophobicContact CD2-CD1 4.21Å; W103-L107 WeakPolarHBondContact O-CB 3.42Å; W103-L107 WeakPolarHBondContact O-CG 3.47Å; W103-L107 PolarHBondContact O-N 2.71Å; V104-L107 PolarHBondContact O-N 3.15Å; K105-L107 PolarHBondContact O-N 3.31Å; L107-A110 PolarHBondContact O-N 2.92Å; L107-S111 PolarHBondContact O-N 3.24Å
108F93.8Very high93.5Very high109 Ų10958.1 Ų58.148%0.47830%0.298SS..Hα-helixtrans-63.6-47.6174.8179.3-95.5000111.5V104 K105 A106 A110 S111 Y114V104-F108 VanDerWaalsContact O-CB 3.28Å; V104-F108 WeakPolarHBondContact O-CB 3.26Å; V104-F108 PolarHBondContact O-N 3.28Å; K105-F108 PolarHBondContact O-N 3Å; A106-F108 VanDerWaalsContact C-N 3.35Å; A106-F108 PolarHBondContact O-N 3.35Å; F108-A110 VanDerWaalsContact C-N 3.27Å; F108-A110 PolarHBondContact O-N 2.99Å; F108-S111 WeakPolarHBondContact O-CB 3.47Å; F108-S111 PolarHBondContact O-N 2.85Å; F108-S111 VanDerWaalsContact O-N 3.13Å; F108-S111 PolarHBondContact O-OG 2.77Å; F108-Y114 HydrophobicContact CD1-CD2 4.22Å; F108-Y114 AromaticContact CE1-CD2 3.53Å; F108-Y114 HydrophobicContact CE1-CD2 3.53Å; F108-Y114 HydrophobicContact CE1-CE2 4.09Å; F108-Y114 HydrophobicContact CE1-CG 4.17Å; F108-Y114 HydrophobicContact CZ-CD2 4.12Å; F108-Y114 WeakPolarHBondContact O-CB 3.41Å
109L93.3Very high93.6Very high67 Ų6757.5 Ų57.535%0.35130%0.302SS..Hα-helixtrans-64.6-31178.2-66.2175000112.8K105 A106 S111 Y114K105-L109 HydrophobicContact CG-CD1 4.14Å; K105-L109 VanDerWaalsContact O-CG 3.29Å; K105-L109 WeakPolarHBondContact O-CG 3.28Å; K105-L109 PolarHBondContact O-N 2.76Å; A106-L109 PolarHBondContact O-N 3.05Å; L109-S111 VanDerWaalsContact C-N 3.31Å; L109-Y114 HydrophobicContact CB-CD1 4.48Å; L109-Y114 HydrophobicContact CB-CE1 4.4Å; L109-Y114 HydrophobicContact CD2-CD1 4.08Å; L109-Y114 HydrophobicContact CD2-CE1 3.45Å; L109-Y114 VanDerWaalsContact CD2-CE1 3.45Å; L109-Y114 HydrophobicContact CD2-CE2 4.02Å; L109-Y114 VanDerWaalsContact CD2-CZ 3.41Å; L109-Y114 VanDerWaalsContact O-CD1 3.31Å; L109-Y114 WeakPolarHBondContact O-CD1 3.45Å
110A93.9Very high93.7Very high7 Ų763.3 Ų63.36%0.05832%0.32CS..THydrogen-bonded Turntrans-80.1-9.6176.300000114.1L41 A43 L63 A106 L107 F108L41-A110 HydrophobicContact CD1-CB 4Å; L41-A110 HydrophobicContact CD2-CB 4Å; L41-A110 HydrophobicContact CG-CB 4.38Å; A43-A110 VanDerWaalsContact O-CB 3.27Å; A43-A110 WeakPolarHBondContact O-CB 3.43Å; L63-A110 HydrophobicContact CD1-CB 3.79Å; A106-A110 WeakPolarHBondContact O-CB 3.28Å; A106-A110 PolarHBondContact O-N 3.05Å; L107-A110 PolarHBondContact O-N 2.92Å; F108-A110 VanDerWaalsContact C-N 3.27Å; F108-A110 PolarHBondContact O-N 2.99Å
111S91.1Very high93.8Very high2 Ų264.9 Ų64.91%0.01433%0.329CS..SBendtrans-71.7142.6-177.775.70000111.8L107 F108 L109 C113 Y114 L115L107-S111 PolarHBondContact O-N 3.24Å; F108-S111 WeakPolarHBondContact O-CB 3.47Å; F108-S111 PolarHBondContact O-N 2.85Å; F108-S111 VanDerWaalsContact O-N 3.13Å; F108-S111 PolarHBondContact O-OG 2.77Å; L109-S111 VanDerWaalsContact C-N 3.31Å; S111-C113 VanDerWaalsContact C-N 3.27Å; S111-C113 PolarHBondContact O-N 3.38Å; S111-C113 PolarHBondContact OG-SG 2.9Å; S111-Y114 PolarHBondContact O-N 3.36Å; S111-Y114 WeakPolarHBondContact OG-CB 3.39Å; S111-Y114 PolarHBondContact OG-N 3.21Å; S111-L115 WeakPolarHBondContact O-CG 3.22Å; S111-L115 PolarHBondContact O-N 3.05Å; S111-L115 VanDerWaalsContact O-N 3.1Å
112H86.7Confident93.9Very high110 Ų11067.3 Ų67.351%0.50933%0.333SS..Hα-helixtrans-59.7-36.5179.3177.6-94.9000112.9Y114 L115 S116H112-Y114 PolarHBondContact O-N 3.44Å; H112-L115 PolarHBondContact O-N 3.13Å; H112-S116 VanDerWaalsContact O-CB 3.22Å; H112-S116 WeakPolarHBondContact O-CB 3.45Å; H112-S116 PolarHBondContact O-N 3.5Å
113C86.2Confident93.9Very high67 Ų6762.9 Ų62.945%0.45333%0.327SS..Hα-helixtrans-64.3-41.8179.953.70000112S111 N117S111-C113 VanDerWaalsContact C-N 3.27Å; S111-C113 PolarHBondContact O-N 3.38Å; S111-C113 PolarHBondContact OG-SG 2.9Å; C113-N117 WeakPolarHBondContact O-CB 3.21Å; C113-N117 PolarHBondContact O-N 2.82Å; C113-N117 PolarHBondContact O-ND2 3.41Å
114Y90.5Very high93.9Very high75 Ų7568.5 Ų68.529%0.29435%0.349SS..Hα-helixtrans-63.6-50.8174175.8-99.2000111.3F108 L109 S111 H112 S116 N117 L118F108-Y114 HydrophobicContact CD1-CD2 4.22Å; F108-Y114 AromaticContact CE1-CD2 3.53Å; F108-Y114 HydrophobicContact CE1-CD2 3.53Å; F108-Y114 HydrophobicContact CE1-CE2 4.09Å; F108-Y114 HydrophobicContact CE1-CG 4.17Å; F108-Y114 HydrophobicContact CZ-CD2 4.12Å; F108-Y114 WeakPolarHBondContact O-CB 3.41Å; L109-Y114 HydrophobicContact CB-CD1 4.48Å; L109-Y114 HydrophobicContact CB-CE1 4.4Å; L109-Y114 HydrophobicContact CD2-CD1 4.08Å; L109-Y114 HydrophobicContact CD2-CE1 3.45Å; L109-Y114 VanDerWaalsContact CD2-CE1 3.45Å; L109-Y114 HydrophobicContact CD2-CE2 4.02Å; L109-Y114 VanDerWaalsContact CD2-CZ 3.41Å; L109-Y114 VanDerWaalsContact O-CD1 3.31Å; L109-Y114 WeakPolarHBondContact O-CD1 3.45Å; S111-Y114 PolarHBondContact O-N 3.36Å; S111-Y114 WeakPolarHBondContact OG-CB 3.39Å; S111-Y114 PolarHBondContact OG-N 3.21Å; H112-Y114 PolarHBondContact O-N 3.44Å; Y114-S116 VanDerWaalsContact C-N 3.34Å; Y114-S116 PolarHBondContact O-N 3.12Å; Y114-N117 PolarHBondContact O-N 3.45Å; Y114-L118 HydrophobicContact CE1-CD2 3.94Å; Y114-L118 WeakPolarHBondContact O-CB 3.4Å; Y114-L118 PolarHBondContact O-N 3.03Å
115L90.8Very high93.9Very high72 Ų7272.7 Ų72.738%0.37737%0.367SS..Hα-helixtrans-61.4-41.2-178.1-66.6173.5000112.3S111 H112 L118 V119S111-L115 WeakPolarHBondContact O-CG 3.22Å; S111-L115 PolarHBondContact O-N 3.05Å; S111-L115 VanDerWaalsContact O-N 3.1Å; H112-L115 PolarHBondContact O-N 3.13Å; L115-L118 PolarHBondContact O-N 3.46Å; L115-V119 WeakPolarHBondContact O-CB 3.34Å; L115-V119 VanDerWaalsContact O-CG2 3.26Å; L115-V119 WeakPolarHBondContact O-CG2 3.22Å; L115-V119 PolarHBondContact O-N 2.99Å
116S91.5Very high94Very high58 Ų5873.1 Ų73.141%0.40637%0.365SS..Hα-helixtrans-63.3-43.2177.2-179.50000112.1H112 Y114 R120H112-S116 VanDerWaalsContact O-CB 3.22Å; H112-S116 WeakPolarHBondContact O-CB 3.45Å; H112-S116 PolarHBondContact O-N 3.5Å; Y114-S116 VanDerWaalsContact C-N 3.34Å; Y114-S116 PolarHBondContact O-N 3.12Å; S116-R120 WeakPolarHBondContact O-CB 3.5Å; S116-R120 PolarHBondContact O-N 3.26Å; S116-R120 VanDerWaalsContact O-N 3.08Å
117N92.8Very high94Very high73 Ų7376.9 Ų76.939%0.3938%0.381SS..Hα-helixtrans-64.7-45.2175.4-74.3-28.5000111.7C113 Y114 V119 R120 D121C113-N117 WeakPolarHBondContact O-CB 3.21Å; C113-N117 PolarHBondContact O-N 2.82Å; C113-N117 PolarHBondContact O-ND2 3.41Å; Y114-N117 PolarHBondContact O-N 3.45Å; N117-V119 PolarHBondContact O-N 2.75Å; N117-R120 PolarHBondContact O-N 2.97Å; N117-R120 PolarHBondContact OD1-NH2 3.42Å; N117-D121 VanDerWaalsContact O-CG 3.29Å; N117-D121 PolarHBondContact O-N 2.85Å
118L94.1Very high94Very high62 Ų6281.6 Ų81.633%0.32540%0.403SS..Hα-helixtrans-59.6-46.7178.1179.962.6000111.6Y114 L115 R120 D121 L122Y114-L118 HydrophobicContact CE1-CD2 3.94Å; Y114-L118 WeakPolarHBondContact O-CB 3.4Å; Y114-L118 PolarHBondContact O-N 3.03Å; L115-L118 PolarHBondContact O-N 3.46Å; L118-R120 VanDerWaalsContact C-N 3.34Å; L118-R120 PolarHBondContact O-N 3.48Å; L118-D121 PolarHBondContact O-N 2.9Å; L118-L122 HydrophobicContact CD1-CD1 4.06Å; L118-L122 HydrophobicContact CD1-CG 4.12Å; L118-L122 HydrophobicContact CG-CD1 3.95Å; L118-L122 HydrophobicContact CG-CG 4.41Å; L118-L122 WeakPolarHBondContact O-CB 3.44Å; L118-L122 VanDerWaalsContact O-CG 3.28Å; L118-L122 WeakPolarHBondContact O-CG 3.39Å; L118-L122 PolarHBondContact O-N 2.84Å
119V95.6Very high94Very high102 Ų10279 Ų7962%0.61840%0.401SS*.Hα-helixtrans-61.3-42.7177.9168.90000111.3L115 N117 G123L115-V119 WeakPolarHBondContact O-CB 3.34Å; L115-V119 VanDerWaalsContact O-CG2 3.26Å; L115-V119 WeakPolarHBondContact O-CG2 3.22Å; L115-V119 PolarHBondContact O-N 2.99Å; N117-V119 PolarHBondContact O-N 2.75Å; V119-G123 PolarHBondContact O-N 2.99Å
120R97.3Very high94Very high153 Ų15381 Ų8158%0.57741%0.407SS*.Hα-helixtrans-61.7-43.6176.2174.3174.257.7146.5-3.7112S116 N117 L118 G123 R124S116-R120 WeakPolarHBondContact O-CB 3.5Å; S116-R120 PolarHBondContact O-N 3.26Å; S116-R120 VanDerWaalsContact O-N 3.08Å; N117-R120 PolarHBondContact O-N 2.97Å; N117-R120 PolarHBondContact OD1-NH2 3.42Å; L118-R120 VanDerWaalsContact C-N 3.34Å; L118-R120 PolarHBondContact O-N 3.48Å; R120-G123 PolarHBondContact O-N 3.02Å; R120-R124 PolarHBondContact O-N 2.89Å; R120-R124 VanDerWaalsContact O-N 3.09Å
121D97.2Very high93.9Very high57 Ų5787.2 Ų87.231%0.30544%0.435SS..Hα-helixtrans-68.9-42.9-179.1-69.7-22.1000112N117 L118 R124 Q125N117-D121 VanDerWaalsContact O-CG 3.29Å; N117-D121 PolarHBondContact O-N 2.85Å; L118-D121 PolarHBondContact O-N 2.9Å; D121-R124 VanDerWaalsContact CG-NH2 3.3Å; D121-R124 PolarHBondContact O-N 2.94Å; D121-R124 IonicContact OD1-CZ 3.29Å; D121-R124 VanDerWaalsContact OD1-CZ 3.29Å; D121-R124 IonicContact OD1-NH1 2.96Å; D121-R124 PolarHBondContact OD1-NH1 2.89Å; D121-R124 IonicContact OD1-NH2 2.71Å; D121-R124 PolarHBondContact OD1-NH2 3.47Å; D121-Q125 WeakPolarHBondContact O-CG 3.49Å; D121-Q125 PolarHBondContact O-N 2.97Å
122L97.5Very high93.3Very high90 Ų9095.4 Ų95.447%0.47147%0.473SS..Hα-helixtrans-63.8-39.8174.2-70.1175.2000112L118 R124 Q125 Y126L118-L122 HydrophobicContact CD1-CD1 4.06Å; L118-L122 HydrophobicContact CD1-CG 4.12Å; L118-L122 HydrophobicContact CG-CD1 3.95Å; L118-L122 HydrophobicContact CG-CG 4.41Å; L118-L122 WeakPolarHBondContact O-CB 3.44Å; L118-L122 VanDerWaalsContact O-CG 3.28Å; L118-L122 WeakPolarHBondContact O-CG 3.39Å; L118-L122 PolarHBondContact O-N 2.84Å; L122-R124 VanDerWaalsContact C-N 3.34Å; L122-R124 PolarHBondContact O-N 2.83Å; L122-Q125 PolarHBondContact O-N 2.9Å; L122-Y126 WeakPolarHBondContact O-CB 3.36Å; L122-Y126 PolarHBondContact O-N 2.82Å
123G96.9Very high92.5Very high36 Ų3697.6 Ų97.637%0.37148%0.483SS..Hα-helixtrans-60.8-42.6175.600000112.2V119 R120 Y126 E127V119-G123 PolarHBondContact O-N 2.99Å; R120-G123 PolarHBondContact O-N 3.02Å; G123-Y126 PolarHBondContact O-N 3.02Å; G123-E127 PolarHBondContact O-N 2.76Å
124R97.6Very high91.1Very high119 Ų119100.2 Ų100.245%0.44949%0.493SS..Hα-helixtrans-61.3-47.4174.2178.2177.859.6-107.4-2.3111.8R120 D121 L122 Y126 E127 E128R120-R124 PolarHBondContact O-N 2.89Å; R120-R124 VanDerWaalsContact O-N 3.09Å; D121-R124 VanDerWaalsContact CG-NH2 3.3Å; D121-R124 PolarHBondContact O-N 2.94Å; D121-R124 IonicContact OD1-CZ 3.29Å; D121-R124 VanDerWaalsContact OD1-CZ 3.29Å; D121-R124 IonicContact OD1-NH1 2.96Å; D121-R124 PolarHBondContact OD1-NH1 2.89Å; D121-R124 IonicContact OD1-NH2 2.71Å; D121-R124 PolarHBondContact OD1-NH2 3.47Å; L122-R124 VanDerWaalsContact C-N 3.34Å; L122-R124 PolarHBondContact O-N 2.83Å; R124-Y126 VanDerWaalsContact C-N 3.28Å; R124-Y126 PolarHBondContact O-N 2.93Å; R124-E127 PolarHBondContact O-N 3.26Å; R124-E128 VanDerWaalsContact CG-OE1 3.3Å; R124-E128 WeakPolarHBondContact CG-OE1 3.31Å; R124-E128 WeakPolarHBondContact O-CG 3.29Å; R124-E128 PolarHBondContact O-N 3.47Å; R124-E128 VanDerWaalsContact O-N 3.09Å
125Q96.9Very high89.8Confident110 Ų110102.4 Ų102.451%0.51452%0.516SS..Hα-helixtrans-60.4-38.1178.3-72.4176.7-8.300112.5D121 L122 A129D121-Q125 WeakPolarHBondContact O-CG 3.49Å; D121-Q125 PolarHBondContact O-N 2.97Å; L122-Q125 PolarHBondContact O-N 2.9Å; Q125-A129 WeakPolarHBondContact O-CB 3.41Å; Q125-A129 PolarHBondContact O-N 3.29Å
126Y97.2Very high88.1Confident151 Ų151104.5 Ų104.559%0.59253%0.532SS*.Hα-helixtrans-63-45.2177.2175.5-98.6000112.1L122 G123 R124 A129 K130L122-Y126 WeakPolarHBondContact O-CB 3.36Å; L122-Y126 PolarHBondContact O-N 2.82Å; G123-Y126 PolarHBondContact O-N 3.02Å; R124-Y126 VanDerWaalsContact C-N 3.28Å; R124-Y126 PolarHBondContact O-N 2.93Å; Y126-A129 PolarHBondContact O-N 3.18Å; Y126-K130 WeakPolarHBondContact O-CB 3.45Å; Y126-K130 PolarHBondContact O-N 3.36Å
127E96.6Very high86Confident94 Ų94108.8 Ų108.844%0.43955%0.55SS.*Hα-helixtrans-66.6-40.1178.8-67.5-65.1175.500112.5G123 R124 K130 Q131G123-E127 PolarHBondContact O-N 2.76Å; R124-E127 PolarHBondContact O-N 3.26Å; E127-K130 PolarHBondContact O-N 3.03Å; E127-Q131 WeakPolarHBondContact O-CG 3.31Å; E127-Q131 PolarHBondContact O-N 3.36Å; E127-Q131 VanDerWaalsContact O-N 3.09Å
128E95.9Very high83.6Confident100 Ų100110.8 Ų110.847%0.46757%0.57SS.*Hα-helixtrans-61.4-43.8175.1-71.5169.4-171.900111.6R124 K130 Q131 Q132R124-E128 VanDerWaalsContact CG-OE1 3.3Å; R124-E128 WeakPolarHBondContact CG-OE1 3.31Å; R124-E128 WeakPolarHBondContact O-CG 3.29Å; R124-E128 PolarHBondContact O-N 3.47Å; R124-E128 VanDerWaalsContact O-N 3.09Å; E128-K130 VanDerWaalsContact C-N 3.33Å; E128-K130 PolarHBondContact O-N 3.4Å; E128-Q131 PolarHBondContact O-N 3.05Å; E128-Q132 WeakPolarHBondContact O-CG 3.47Å; E128-Q132 PolarHBondContact O-N 3.09Å
129A95Very high81.3Confident53 Ų53114 Ų11444%0.43860%0.597SS.*Hα-helixtrans-66.7-34.6178.100000112.6Q125 Y126 Q132Q125-A129 WeakPolarHBondContact O-CB 3.41Å; Q125-A129 PolarHBondContact O-N 3.29Å; Y126-A129 PolarHBondContact O-N 3.18Å; A129-Q132 PolarHBondContact O-N 3.43Å
130K93.6Very high78.9Confident110 Ų110114.5 Ų114.548%0.47860%0.604SS.*Hα-helixtrans-67.3-42.2176.9-172.9-178.5173.6-171.30111.9Y126 E127 E128 Q132 Q133Y126-K130 WeakPolarHBondContact O-CB 3.45Å; Y126-K130 PolarHBondContact O-N 3.36Å; E127-K130 PolarHBondContact O-N 3.03Å; E128-K130 VanDerWaalsContact C-N 3.33Å; E128-K130 PolarHBondContact O-N 3.4Å; K130-Q132 VanDerWaalsContact C-N 3.27Å; K130-Q132 PolarHBondContact O-N 3.33Å; K130-Q133 PolarHBondContact O-N 3.48Å; K130-Q133 VanDerWaalsContact O-N 3.09Å
131Q90.7Very high76.3Confident138 Ų138111.8 Ų111.865%0.64561%0.609SS**Hα-helixtrans-65.3-28.7177.5-71.6172.642.800113.1E127 E128 Q133E127-Q131 WeakPolarHBondContact O-CG 3.31Å; E127-Q131 PolarHBondContact O-N 3.36Å; E127-Q131 VanDerWaalsContact O-N 3.09Å; E128-Q131 PolarHBondContact O-N 3.05Å; Q131-Q133 PolarHBondContact O-N 3.09Å
132Q78.6Confident74Confident173 Ų173117.8 Ų117.881%0.80864%0.64SS**THydrogen-bonded Turntrans-74.7-10.2174.9-68.7-176.88.100113.7E128 A129 K130E128-Q132 WeakPolarHBondContact O-CG 3.47Å; E128-Q132 PolarHBondContact O-N 3.09Å; A129-Q132 PolarHBondContact O-N 3.43Å; K130-Q132 VanDerWaalsContact C-N 3.27Å; K130-Q132 PolarHBondContact O-N 3.33Å
133Q69.4Low71.5Confident157 Ų157121.5 Ų121.573%0.73465%0.653SS**THydrogen-bonded Turntrans-94.6-10.7178.6-75.8-171.7-7.100114.5K130 Q131 P135K130-Q133 PolarHBondContact O-N 3.48Å; K130-Q133 VanDerWaalsContact O-N 3.09Å; Q131-Q133 PolarHBondContact O-N 3.09Å; Q133-P135 WeakPolarHBondContact O-CD 3.41Å
134D57.9Low69.2Low121 Ų121125.6 Ų125.665%0.64768%0.676SS**  trans-75.8109.9175.5-78.2-35000110.2T136D134-T136 PolarHBondContact O-N 3.4Å
135P63.1Low66.6Low121 Ų121127.3 Ų127.379%0.78669%0.693SS**  trans-95.786.6-178.930.4-14.5000109.2Q133Q133-P135 WeakPolarHBondContact O-CD 3.41Å
136T54.5Low64.4Low117 Ų117126.9 Ų126.972%0.71870%0.702SS**  trans-134.9101.4160.323.40000110.8D134D134-T136 PolarHBondContact O-N 3.4Å
137N47.3Very low61.7Low147 Ų147125 Ų12579%0.78671%0.708SS**SBendtrans74.3113.6162.1-50.4-27.7000114.9
138S43.1Very low59.1Low116 Ų116125.8 Ų125.881%0.81172%0.721SS**  cis-169.514744.2-420000109.7S140S138-S140 PolarHBondContact O-N 3.36Å
139C45.8Very low56.9Low130 Ų130127.1 Ų127.188%0.87874%0.736SS**  trans-54122.3169179.20000112.4
140S45Very low54.4Low111 Ų111131.6 Ų131.678%0.77675%0.753SS**  174.6147.4125.549.70000111.8S138S138-S140 PolarHBondContact O-N 3.36Å
141S41.9Very low51.9Low96 Ų96130 Ų13067%0.67176%0.756SS**  trans90.483171.5-137.80000116K143S141-K143 PolarHBondContact O-N 3.46Å
142L49Very low49.6Very low184 Ų184131.6 Ų131.696%0.96377%0.768SS**  trans-53.8104.6150-67165.4000108.6
143K44.8Very low48Very low168 Ų168130.4 Ų130.473%0.7377%0.766SS**  trans-111.9110.1156.6-74.3-174.6-179.7178.10107.5S141 L145S141-K143 PolarHBondContact O-N 3.46Å; K143-L145 PolarHBondContact O-N 3.31Å; K143-L145 VanDerWaalsContact O-N 3.15Å
144S49.8Very low46.8Very low122 Ų122128.5 Ų128.585%0.85377%0.765SS**  trans-55115.2167.161.10000108.8
145L41.8Very low45.7Very low155 Ų155128.7 Ų128.781%0.81277%0.773SS**  trans-130.1119.9166.6-77.1162.4000107.1K143K143-L145 PolarHBondContact O-N 3.31Å; K143-L145 VanDerWaalsContact O-N 3.15Å
146S52.4Low44.3Very low101 Ų101127.3 Ų127.371%0.70677%0.771SS**  trans-51.6155.1176.445.30000112.4
147P40.3Very low43.3Very low110 Ų110129.3 Ų129.371%0.71478%0.777SS**  trans-63.3129.9177.325.8-32.5000110.2T149P147-T149 PolarHBondContact O-N 3.34Å; P147-T149 VanDerWaalsContact O-N 3.08Å
148P40.4Very low42.7Very low111 Ų111131 Ų13172%0.72178%0.777SS**  trans-72.3106.2166.128.9-28.8000107.6N150P148-N150 PolarHBondContact O-N 2.68Å
149T50.1Low42.7Very low128 Ų128130.5 Ų130.579%0.78577%0.772SS**  trans-70.484.7166.1-15.80000107.3P147 S151P147-T149 PolarHBondContact O-N 3.34Å; P147-T149 VanDerWaalsContact O-N 3.08Å; T149-S151 PolarHBondContact O-N 2.92Å
150N43.9Very low41.8Very low148 Ų148132.7 Ų132.779%0.79177%0.774SS**  trans-78.671.8169-79.5-8.7000109.2P148 L152P148-N150 PolarHBondContact O-N 2.68Å; N150-L152 PolarHBondContact O-N 2.82Å
151S39.3Very low41.1Very low76 Ų76132.1 Ų132.153%0.53177%0.77SS.*  trans-62.8115.1156.4-179.50000107.8T149 L153T149-S151 PolarHBondContact O-N 2.92Å; S151-L153 PolarHBondContact O-N 3.34Å; S151-L153 WeakPolarHBondContact OG-CD2 3.3Å
152L43.8Very low40.5Very low172 Ų172135.4 Ų135.490%0.90178%0.779SS**  trans-67.784.1165.5-69.7171.6000108.2N150 V154N150-L152 PolarHBondContact O-N 2.82Å; L152-V154 PolarHBondContact O-N 3.13Å; L152-V154 VanDerWaalsContact O-N 3.12Å
153L43.6Very low39.7Very low147 Ų147133.1 Ų133.177%0.7777%0.772SS**  trans-75.598.4173-70.3177000109.6S151S151-L153 PolarHBondContact O-N 3.34Å; S151-L153 WeakPolarHBondContact OG-CD2 3.3Å
154V44.6Very low39.1Very low118 Ų118135.6 Ų135.672%0.71578%0.777SS**  trans-59.9132.5152.5179.20000107.9L152 A156L152-V154 PolarHBondContact O-N 3.13Å; L152-V154 VanDerWaalsContact O-N 3.12Å; V154-A156 PolarHBondContact O-N 3.24Å
155P34.5Very low38Very low125 Ų125138.5 Ų138.581%0.81278%0.777SS**  trans-67.1108.2171.9-15.429000109.5
156A35.4Very low37.3Very low91 Ų91134.2 Ų134.275%0.75277%0.77SS**  trans-88.3116.8171.400000109.4V154V154-A156 PolarHBondContact O-N 3.24Å
157L33.4Very low36.4Very low159 Ų159139.9 Ų139.983%0.83278%0.776SS**  trans-99.890.3163.8-77.3166.8000108.5
158F34Very low36.2Very low182 Ų182139.7 Ų139.780%0.79878%0.778SS**  trans47.4172.2151.4-60-77.9000120.6
159P42.1Very low35.7Very low106 Ų106143.7 Ų143.769%0.68878%0.784SS**  -118.8154.6-91.530.5-11.3000110.8
160L28.6Very low34.8Very low176 Ų176142.8 Ų142.892%0.92178%0.783SS**  trans-147.4128.5155.8-102.2129.2000112.6
161S29.7Very low34.1Very low100 Ų100140 Ų14070%0.69978%0.78SS**  trans-55.7140.9-177.546.10000114.4
162L29.6Very low33.9Very low164 Ų164141.8 Ų141.886%0.85979%0.793SS**  trans-60.6121.6157.2177.3136.7000110.4
163V31.2Very low33.3Very low137 Ų137141.9 Ų141.983%0.8380%0.795SS**  trans-137.4130.7151.3175.80000108.2
164R32.4Very low32.7Very low220 Ų220138.7 Ų138.783%0.8379%0.789SS**  trans-112.7134.7-177.8-172.8-171.6-163.7-170.45.1106.8
165E26.6Very low32.1Very low182 Ų182141.4 Ų141.485%0.8580%0.799SS**  trans150.8138155-93.2176.4140.500107.3
166G28.2Very low32.5Very low65 Ų65140.9 Ų140.967%0.6780%0.795SS**  cis136.414419.500000107.3
167R32.8Very low32.4Very low221 Ų221142.3 Ų142.383%0.83480%0.797SS**  trans104.499.9164.8-56.6-178.9-167.3-107.6-1.1117.8
168S35.2Very low32.4Very low106 Ų106141 Ų14174%0.74180%0.798SS**  trans-38.1160.9143.8-38.40000115.9
169F31.5Very low32.2Very low194 Ų194137.2 Ų137.285%0.85179%0.794SS**  trans166.7146.7139.9-72.9-51.5000104.6
170S31.2Very low31.9Very low109 Ų109140 Ų14076%0.76280%0.8SS**  cis-171.4150.93.31720000108.3
171A29.5Very low32.5Very low89 Ų89136.9 Ų136.974%0.73679%0.79SS**  trans40.9132.214600000123.7
172S33.4Very low32.6Very low115 Ų115138 Ų13880%0.80480%0.798SS**  trans-37.1150.1155.6-400000116.3
173D31.5Very low32.7Very low174 Ų174140 Ų14093%0.9380%0.8SS**  trans-147.8136.5132.4-129.3-17.6000110.7
174A30.9Very low32.8Very low79 Ų79142.7 Ų142.765%0.65381%0.806SS**  trans-119.8134.6-174.200000108.5
175L32.1Very low33Very low176 Ų176137.2 Ų137.292%0.92181%0.807SS**  trans-154.6147.6145.2-79-171.2000110.9
176P42.7Very low33.5Very low114 Ų114132.7 Ų132.774%0.7480%0.801SS**  trans-105.1171.1-170.640.3-32.6000113.9
177P33.1Very low34.2Very low121 Ų121139.7 Ų139.779%0.78681%0.813SS**  trans-128.317015434.6-18.3000113.9
178P34.3Very low34.9Very low132 Ų132138.5 Ų138.586%0.85781%0.814SS**  trans-100.1177.5-133.238.7-37.9000116.3
179S29.8Very low35.2Very low101 Ų101138.6 Ų138.671%0.70682%0.815SS**  trans-91160.4-175.7550000116
180M36.1Very low35.6Very low164 Ų164135.3 Ų135.381%0.80881%0.813SS**  trans98.6161.9153-51.3-57.6-87.300117.4
181P40.5Very low36.3Very low112 Ų112139.5 Ų139.573%0.72782%0.817SS**  -135.2163.6-79.337.4-19.2000112.6
182S31.7Very low36.8Very low124 Ų124144.4 Ų144.487%0.86782%0.822SS**  trans-151.5121151.956.80000112.6
183K33.3Very low37Very low205 Ų205149.6 Ų149.689%0.89182%0.824SS**  trans-74.1131.4168-74.3173.1174.2174.20108.7
184M32.3Very low37.4Very low193 Ų193147.3 Ų147.395%0.95182%0.819SS**  trans-138.3117.3140.8-87.2-169.9126.600109.2A186M184-A186 PolarHBondContact O-N 2.89Å
185A36.8Very low38Very low105 Ų105154 Ų15487%0.86883%0.827SS**  trans-76.3117.1179.500000110
186A36.5Very low38.3Very low87 Ų87156.7 Ų156.772%0.71983%0.825SS**  trans-101.6113.2164.800000109M184 K188M184-A186 PolarHBondContact O-N 2.89Å; A186-K188 PolarHBondContact O-N 3.21Å
187K42.3Very low38.2Very low213 Ų213156.3 Ų156.393%0.92682%0.817SS**  trans-53.7114.9177.7-64.1173.6175179.20110.5
188K48.5Very low38.6Very low195 Ų195154.8 Ų154.885%0.84882%0.815SS**  trans-135.5132.4165.6-68.4-174.6179.3177.70108.9A186A186-K188 PolarHBondContact O-N 3.21Å
189S41.1Very low39.3Very low108 Ų108156.5 Ų156.576%0.75581%0.811SS**  trans-53.7151.8-171.3-43.70000114.1K191S189-K191 PolarHBondContact O-N 3.13Å
190P39.7Very low40Very low125 Ų125158.1 Ų158.181%0.81282%0.816SS**  trans-69.8114.7-175.9-8.924.3000110.5K192P190-K192 PolarHBondContact O-N 3.42Å
191K46.8Very low40.6Very low198 Ų198155.4 Ų155.486%0.86181%0.809SS**  trans-83.9108.9171.6-69.3-176.4177.8-1750108.8S189 W193S189-K191 PolarHBondContact O-N 3.13Å; K191-W193 PolarHBondContact O-N 3.45Å
192K39.8Very low40.8Very low192 Ų192155.1 Ų155.184%0.83581%0.807SS**  trans-77.443.6-179.6-67-162.3177.3-166.10114.5P190P190-K192 PolarHBondContact O-N 3.42Å
193W37.6Very low41.7Very low224 Ų224157 Ų15785%0.84881%0.807SS**SBendtrans-141.5129.9170.1-60.991.4000109.2K191 R195K191-W193 PolarHBondContact O-N 3.45Å; W193-R195 PolarHBondContact O-N 3.26Å; W193-R195 VanDerWaalsContact O-N 3.1Å
194P39Very low42.4Very low126 Ų126155.1 Ų155.182%0.81881%0.806SS**  trans-60.6117167-1427.2000107.8R196P194-R196 VanDerWaalsContact C-N 3.28Å; P194-R196 PolarHBondContact O-N 3.5Å
195R43.9Very low43.2Very low220 Ų220148.4 Ų148.483%0.8379%0.786SS**  trans-70.689.5174.7-156.3-170-169.9-145.53107.3W193 N197W193-R195 PolarHBondContact O-N 3.26Å; W193-R195 VanDerWaalsContact O-N 3.1Å; R195-N197 PolarHBondContact O-N 3.29Å
196R39.3Very low43.9Very low232 Ų232149.4 Ų149.488%0.87578%0.784SS**  trans-66.9105.1169.3-159.9172.1167.6165.8-3.6105.9P194 A198P194-R196 VanDerWaalsContact C-N 3.28Å; P194-R196 PolarHBondContact O-N 3.5Å; R196-A198 PolarHBondContact O-N 2.73Å
197N39Very low44.5Very low105 Ų105149.6 Ų149.656%0.56179%0.786SS**  trans-56.4115.5175.8-63.9-49.6000106.7R195 H199R195-N197 PolarHBondContact O-N 3.29Å; N197-H199 PolarHBondContact O-N 3.17Å
198A43.2Very low44.9Very low90 Ų90144.7 Ų144.774%0.74478%0.775SS**  trans-57.6111.3160.700000105.1R196 V200R196-A198 PolarHBondContact O-N 2.73Å; A198-V200 VanDerWaalsContact C-N 3.31Å; A198-V200 PolarHBondContact O-N 2.85Å
199H48.5Very low44.9Very low168 Ų168141.2 Ų141.278%0.77877%0.773SS**  trans-62.194.9-175.6-73.4-87.5000108.9N197 T201N197-H199 PolarHBondContact O-N 3.17Å; H199-T201 PolarHBondContact O-N 3.1Å
200V44.3Very low45.2Very low134 Ų134146.9 Ų146.981%0.81278%0.779SS**  trans-73104156.3178.50000104.8A198A198-V200 VanDerWaalsContact C-N 3.31Å; A198-V200 PolarHBondContact O-N 2.85Å
201T48Very low45.6Very low108 Ų108144.2 Ų144.266%0.66377%0.774SS**  trans-59.8126.5173.5-38.40000108.4H199 L203H199-T201 PolarHBondContact O-N 3.1Å; T201-L203 PolarHBondContact O-N 3.18Å
202P44.1Very low45.7Very low105 Ų105143.6 Ų143.668%0.68278%0.775SS**  trans-63.8129.1174.723.7-30000109.7N204P202-N204 PolarHBondContact O-N 3.39Å
203L51.8Low45.9Very low165 Ų165144.9 Ų144.986%0.86477%0.774SS**THydrogen-bonded Turntrans-71.110-163.3-143.390.5000115.9T201T201-L203 PolarHBondContact O-N 3.18Å
204N48.1Very low46.2Very low165 Ų165139.1 Ų139.188%0.88277%0.766SS**THydrogen-bonded Turntrans-149.622.3-174.2-79.6-42.2000115P202P202-N204 PolarHBondContact O-N 3.39Å
205G49.1Very low46.5Very low51 Ų51141.1 Ų141.153%0.52677%0.769SS.*SBendtrans-98148.8173.100000112.3
206P51.2Low46.8Very low127 Ų127136.8 Ų136.883%0.82577%0.766SS**PPolyproline II helixtrans-58.2144.4166.425.6-31.2000109.5
207A48.2Very low47.1Very low91 Ų91128.6 Ų128.675%0.75275%0.754SS**PPolyproline II helixtrans-52.4133.1178.600000109.8
208P50.9Low47.7Very low109 Ų109127.6 Ų127.671%0.70876%0.756SS**PPolyproline II helixtrans-54.9139.1176.3-2231.3000110Y210P208-Y210 PolarHBondContact O-N 3.18Å
209P50.1Low48.4Very low122 Ų122128.1 Ų128.179%0.79275%0.746SS**PPolyproline II helixtrans-58.1141.2178.422.7-30.7000110.3G211P209-G211 VanDerWaalsContact C-N 3.31Å; P209-G211 PolarHBondContact O-N 3.39Å
210Y47.3Very low49Very low227 Ų227125 Ų12589%0.8974%0.74SS**SBendtrans-63.783.8-174.5-161-92.9000110.5P208P208-Y210 PolarHBondContact O-N 3.18Å
211G47.2Very low49.7Very low69 Ų69125 Ų12571%0.71174%0.735SS**  trans-158.8-2.9-175.800000116.7P209P209-G211 VanDerWaalsContact C-N 3.31Å; P209-G211 PolarHBondContact O-N 3.39Å
212E48.2Very low50.2Low186 Ų186123.1 Ų123.187%0.86972%0.724SS**SBendtrans-117.714-178.4-97-175.1175.600114.4
213W45.2Very low51.5Low218 Ų218123.4 Ų123.483%0.82672%0.716SS**SBendtrans-99.6130.1170.3-69.895.4000109.4L215W213-L215 PolarHBondContact O-N 3.09Å
214P43.9Very low52.7Low104 Ų104122 Ų12268%0.67570%0.703SS**  trans-53128.8168.7-19.630.7000108.4V216P214-V216 PolarHBondContact O-N 2.94Å
215L45.3Very low54.1Low167 Ų167116.9 Ų116.987%0.87468%0.68SS**  trans-43.8109.5-175.7-171.471.8000111W213 G217W213-L215 PolarHBondContact O-N 3.09Å; L215-G217 VanDerWaalsContact C-N 3.29Å; L215-G217 PolarHBondContact O-N 3.48Å
216V49.4Very low55.7Low129 Ų129121.4 Ų121.478%0.78269%0.685SS**  trans-68.690.9173.8179.70000107.5P214P214-V216 PolarHBondContact O-N 2.94Å
217G45.2Very low57.5Low60 Ų60121.1 Ų121.162%0.61968%0.676SS**  trans-146.119.6-17700000113.2L215L215-G217 VanDerWaalsContact C-N 3.29Å; L215-G217 PolarHBondContact O-N 3.48Å
218S53Low59.1Low85 Ų85122.4 Ų122.459%0.59467%0.666SS**SBendtrans-140.3147.1176.3-69.70000111P220S218-P220 WeakPolarHBondContact O-CD 3.43Å; S218-P220 VanDerWaalsContact O-N 3.15Å
219D56.6Low60.9Low100 Ų100122.2 Ų122.254%0.53566%0.659SS.*  trans-47.5114.5179.9-176.1-11.7000110.6L221 V222 E223D219-L221 PolarHBondContact O-N 2.87Å; D219-L221 PolarHBondContact OD1-N 3.43Å; D219-V222 HydrophobicContact CB-CB 4.26Å; D219-V222 HydrophobicContact CB-CG2 3.94Å; D219-V222 PolarHBondContact O-N 3.49Å; D219-E223 PolarHBondContact O-N 3.22Å
220P61.4Low62.6Low103 Ų103122.6 Ų122.667%0.66965%0.649SS**Hα-helixtrans-54.3-26.9-172.4-26.232.5000114S218 F224S218-P220 WeakPolarHBondContact O-CD 3.43Å; S218-P220 VanDerWaalsContact O-N 3.15Å; P220-F224 PolarHBondContact O-N 3.06Å
221L58.8Low64.5Low134 Ų134119.2 Ų119.270%0.70264%0.636SS**Hα-helixtrans-80.7-34.2-176.5-147.7115.4000112.3D219 S225D219-L221 PolarHBondContact O-N 2.87Å; D219-L221 PolarHBondContact OD1-N 3.43Å; L221-S225 PolarHBondContact O-N 3.4Å; L221-S225 PolarHBondContact O-OG 3Å
222V59.1Low66.6Low69 Ų69117.4 Ų117.442%0.41862%0.616SS.*Hα-helixtrans-73.7-33.91771800000110.3D219 K226D219-V222 HydrophobicContact CB-CB 4.26Å; D219-V222 HydrophobicContact CB-CG2 3.94Å; D219-V222 PolarHBondContact O-N 3.49Å; V222-K226 HydrophobicContact CG1-CD 4.42Å; V222-K226 WeakPolarHBondContact O-CG 3.48Å; V222-K226 PolarHBondContact O-N 3.37Å
223E72.4Confident68.6Low110 Ų110114.7 Ų114.751%0.51460%0.604SS.*Hα-helixtrans-71.9-41.5177.9-169.1158-156.500112.3D219 S225 L227D219-E223 PolarHBondContact O-N 3.22Å; E223-S225 PolarHBondContact O-N 3.38Å; E223-L227 WeakPolarHBondContact O-CB 3.46Å; E223-L227 PolarHBondContact O-N 3.02Å; E223-L227 VanDerWaalsContact O-N 3.1Å
224F75.4Confident70.5Confident135 Ų135109.2 Ų109.259%0.59259%0.588SS**Hα-helixtrans-63-41.9175-177-97.9000112.6P220 L227 H228P220-F224 PolarHBondContact O-N 3.06Å; F224-L227 PolarHBondContact O-N 3.49Å; F224-H228 WeakPolarHBondContact O-CB 3.34Å; F224-H228 PolarHBondContact O-N 2.9Å
225S78.2Confident72.6Confident58 Ų58107 Ų10741%0.40657%0.572SS.*Hα-helixtrans-63.2-45.9-178.9-58.10000111.8L221 E223 L227 H228 D229L221-S225 PolarHBondContact O-N 3.4Å; L221-S225 PolarHBondContact O-OG 3Å; E223-S225 PolarHBondContact O-N 3.38Å; S225-L227 PolarHBondContact O-N 3.34Å; S225-H228 PolarHBondContact O-N 2.91Å; S225-D229 PolarHBondContact O-N 3.47Å
226K83.5Confident74.7Confident146 Ų146106 Ų10664%0.63556%0.56SS**Hα-helixtrans-63.3-40.3176.7-70.8175.1-178.6177.30112.3V222 H228 F230V222-K226 HydrophobicContact CG1-CD 4.42Å; V222-K226 WeakPolarHBondContact O-CG 3.48Å; V222-K226 PolarHBondContact O-N 3.37Å; K226-H228 VanDerWaalsContact C-N 3.35Å; K226-F230 PolarHBondContact O-N 3.37Å; K226-F230 VanDerWaalsContact O-N 3.1Å
227L87.8Confident76.7Confident121 Ų121105.9 Ų105.963%0.63455%0.55SS*.Hα-helixtrans-62.9-43.3175.5-168.187.1000111.2E223 F224 S225 F230 Y231E223-L227 WeakPolarHBondContact O-CB 3.46Å; E223-L227 PolarHBondContact O-N 3.02Å; E223-L227 VanDerWaalsContact O-N 3.1Å; F224-L227 PolarHBondContact O-N 3.49Å; S225-L227 PolarHBondContact O-N 3.34Å; L227-F230 PolarHBondContact O-N 2.89Å; L227-Y231 PolarHBondContact O-N 3.26Å
228H82.4Confident78.7Confident119 Ų119105.7 Ų105.755%0.55154%0.542SS*.Hα-helixtrans-66.3-39.2-179.1-164.6-84.6000112F224 S225 K226 G232F224-H228 WeakPolarHBondContact O-CB 3.34Å; F224-H228 PolarHBondContact O-N 2.9Å; S225-H228 PolarHBondContact O-N 2.91Å; K226-H228 VanDerWaalsContact C-N 3.35Å; H228-G232 PolarHBondContact O-N 3.08Å
229D88.7Confident80.3Confident105 Ų105109.9 Ų109.956%0.56155%0.545SS*.Hα-helixtrans-64.9-44.1175-72.5-24.5000112.1S225 G232 Q233S225-D229 PolarHBondContact O-N 3.47Å; D229-G232 PolarHBondContact O-N 3.45Å; D229-Q233 WeakPolarHBondContact O-CG 3.12Å; D229-Q233 PolarHBondContact O-N 2.93Å
230F86.1Confident82Confident129 Ų129110.2 Ų110.257%0.56654%0.543SS*.Hα-helixtrans-60.7-48.6177-176.2-94.9000111.5K226 L227 G232 Q233 E234K226-F230 PolarHBondContact O-N 3.37Å; K226-F230 VanDerWaalsContact O-N 3.1Å; L227-F230 PolarHBondContact O-N 2.89Å; F230-G232 VanDerWaalsContact C-N 3.29Å; F230-G232 PolarHBondContact O-N 3.25Å; F230-Q233 WeakPolarHBondContact O-CB 3.42Å; F230-Q233 PolarHBondContact O-N 3.09Å; F230-Q233 VanDerWaalsContact O-N 3.11Å; F230-E234 HydrophobicContact CD1-CG 4.41Å; F230-E234 HydrophobicContact CE1-CG 4.04Å; F230-E234 PolarHBondContact O-N 2.89Å; F230-E234 VanDerWaalsContact O-N 3.11Å
231Y87.3Confident83.4Confident157 Ų157110.2 Ų110.262%0.61653%0.534SS*.Hα-helixtrans-65.3-34.9178-163.4-100.8000112L227 Q233 E234 V235L227-Y231 PolarHBondContact O-N 3.26Å; Y231-Q233 VanDerWaalsContact C-N 3.28Å; Y231-Q233 PolarHBondContact O-N 2.61Å; Y231-E234 PolarHBondContact O-N 3.06Å; Y231-V235 HydrophobicContact CD1-CG2 4.04Å; Y231-V235 HydrophobicContact CE1-CG2 3.84Å; Y231-V235 WeakPolarHBondContact O-CG2 3.15Å; Y231-V235 PolarHBondContact O-N 3.26Å
232G90.4Very high84.8Confident30 Ų30111 Ų11131%0.30953%0.528SS..Hα-helixtrans-59.7-37.3172.700000113H228 D229 F230 K236H228-G232 PolarHBondContact O-N 3.08Å; D229-G232 PolarHBondContact O-N 3.45Å; F230-G232 VanDerWaalsContact C-N 3.29Å; F230-G232 PolarHBondContact O-N 3.25Å; G232-K236 WeakPolarHBondContact O-CG 3.49Å; G232-K236 PolarHBondContact O-N 3.09Å; G232-K236 VanDerWaalsContact O-N 3.17Å
233Q90.2Very high86Confident130 Ų130112.3 Ų112.361%0.60753%0.532SS*.Hα-helixtrans-69.9-42174.8-67.3177.719.500112.1D229 F230 Y231 V235 K236 K237D229-Q233 WeakPolarHBondContact O-CG 3.12Å; D229-Q233 PolarHBondContact O-N 2.93Å; F230-Q233 WeakPolarHBondContact O-CB 3.42Å; F230-Q233 PolarHBondContact O-N 3.09Å; F230-Q233 VanDerWaalsContact O-N 3.11Å; Y231-Q233 VanDerWaalsContact C-N 3.28Å; Y231-Q233 PolarHBondContact O-N 2.61Å; Q233-V235 VanDerWaalsContact C-N 3.3Å; Q233-V235 PolarHBondContact O-N 3.09Å; Q233-K236 PolarHBondContact O-N 3.38Å; Q233-K237 PolarHBondContact O-N 2.89Å
234E86Confident86.5Confident103 Ų103115.3 Ų115.348%0.48154%0.539SS..Hα-helixtrans-59.4-41.8175.4-68.3-160.610600111.8F230 Y231 K236 K237 A238F230-E234 HydrophobicContact CD1-CG 4.41Å; F230-E234 HydrophobicContact CE1-CG 4.04Å; F230-E234 PolarHBondContact O-N 2.89Å; F230-E234 VanDerWaalsContact O-N 3.11Å; Y231-E234 PolarHBondContact O-N 3.06Å; E234-K236 PolarHBondContact O-N 3.34Å; E234-K237 PolarHBondContact O-N 2.96Å; E234-A238 WeakPolarHBondContact O-CB 3.47Å; E234-A238 PolarHBondContact O-N 3.08Å
235V87.2Confident86.7Confident58 Ų58111.8 Ų111.835%0.35253%0.531SS..Hα-helixtrans-64.8-39.3176.81730000112Y231 Q233 A238 R239Y231-V235 HydrophobicContact CD1-CG2 4.04Å; Y231-V235 HydrophobicContact CE1-CG2 3.84Å; Y231-V235 WeakPolarHBondContact O-CG2 3.15Å; Y231-V235 PolarHBondContact O-N 3.26Å; Q233-V235 VanDerWaalsContact C-N 3.3Å; Q233-V235 PolarHBondContact O-N 3.09Å; V235-A238 PolarHBondContact O-N 3.37Å; V235-R239 WeakPolarHBondContact O-CG 3.2Å; V235-R239 PolarHBondContact O-N 2.78Å; V235-R239 VanDerWaalsContact O-N 3.07Å
236K90.3Very high86.8Confident144 Ų144116 Ų11663%0.62654%0.538SS*.Hα-helixtrans-63.2-46.5175.4-76.6178.1-178.41780111.2G232 Q233 E234 A238 R239 E240G232-K236 WeakPolarHBondContact O-CG 3.49Å; G232-K236 PolarHBondContact O-N 3.09Å; G232-K236 VanDerWaalsContact O-N 3.17Å; Q233-K236 PolarHBondContact O-N 3.38Å; E234-K236 PolarHBondContact O-N 3.34Å; K236-A238 VanDerWaalsContact C-N 3.34Å; K236-A238 PolarHBondContact O-N 3.18Å; K236-R239 WeakPolarHBondContact O-CB 3.17Å; K236-R239 PolarHBondContact O-N 3.21Å; K236-R239 VanDerWaalsContact O-N 3.13Å; K236-E240 PolarHBondContact O-N 3.42Å
237K90.4Very high86.4Confident128 Ų128115 Ų11556%0.55754%0.536SS*.Hα-helixtrans-60.8-43.3177.7-169.7179.4177-1750111.9Q233 E234 R239 E240 E241Q233-K237 PolarHBondContact O-N 2.89Å; E234-K237 PolarHBondContact O-N 2.96Å; K237-R239 VanDerWaalsContact C-N 3.3Å; K237-R239 PolarHBondContact O-N 3.49Å; K237-E240 PolarHBondContact O-N 2.95Å; K237-E241 VanDerWaalsContact CE-OE1 3.29Å; K237-E241 WeakPolarHBondContact CE-OE1 3.43Å; K237-E241 WeakPolarHBondContact O-CG 3.49Å; K237-E241 PolarHBondContact O-N 3.2Å
238A87.3Confident85.7Confident56 Ų56113 Ų11346%0.46353%0.528SS..Hα-helixtrans-61.9-36175.900000112.7E234 V235 K236 W242E234-A238 WeakPolarHBondContact O-CB 3.47Å; E234-A238 PolarHBondContact O-N 3.08Å; V235-A238 PolarHBondContact O-N 3.37Å; K236-A238 VanDerWaalsContact C-N 3.34Å; K236-A238 PolarHBondContact O-N 3.18Å; A238-W242 WeakPolarHBondContact O-CB 3.48Å; A238-W242 PolarHBondContact O-N 2.88Å
239R86.9Confident85.2Confident173 Ų173113.5 Ų113.565%0.65353%0.531SS*.Hα-helixtrans-66.6-42.3174.3-76.5177.1-179.7-111.82112.1V235 K236 K237 W242 L243V235-R239 WeakPolarHBondContact O-CG 3.2Å; V235-R239 PolarHBondContact O-N 2.78Å; V235-R239 VanDerWaalsContact O-N 3.07Å; K236-R239 WeakPolarHBondContact O-CB 3.17Å; K236-R239 PolarHBondContact O-N 3.21Å; K236-R239 VanDerWaalsContact O-N 3.13Å; K237-R239 VanDerWaalsContact C-N 3.3Å; K237-R239 PolarHBondContact O-N 3.49Å; R239-W242 PolarHBondContact O-N 2.95Å; R239-L243 WeakPolarHBondContact O-CG 3.48Å; R239-L243 PolarHBondContact O-N 2.82Å
240E91.5Very high84.1Confident106 Ų106115.8 Ų115.850%0.49554%0.536SS..Hα-helixtrans-64.3-44.4177-70.3174.8-163.800111.8K236 K237 W242 L243 R244K236-E240 PolarHBondContact O-N 3.42Å; K237-E240 PolarHBondContact O-N 2.95Å; E240-W242 VanDerWaalsContact C-N 3.32Å; E240-W242 PolarHBondContact O-N 3.48Å; E240-L243 PolarHBondContact O-N 2.92Å; E240-R244 WeakPolarHBondContact O-CG 3.02Å; E240-R244 PolarHBondContact O-N 2.8Å
241E90.7Very high83.2Confident103 Ų103114 Ų11448%0.48153%0.53SS..Hα-helixtrans-62.3-39.6176.1-74.8176-172.800111.9K237 R244 S245K237-E241 VanDerWaalsContact CE-OE1 3.29Å; K237-E241 WeakPolarHBondContact CE-OE1 3.43Å; K237-E241 WeakPolarHBondContact O-CG 3.49Å; K237-E241 PolarHBondContact O-N 3.2Å; E241-R244 PolarHBondContact O-N 2.81Å; E241-S245 WeakPolarHBondContact O-CB 3.35Å; E241-S245 PolarHBondContact O-N 2.82Å; E241-S245 PolarHBondContact O-OG 2.94Å
242W88.6Confident81.9Confident150 Ų150112 Ų11257%0.56853%0.526SS*.Hα-helixtrans-65-41.9174.8-178.580.3000112.6A238 R239 E240 S245 R246A238-W242 WeakPolarHBondContact O-CB 3.48Å; A238-W242 PolarHBondContact O-N 2.88Å; R239-W242 PolarHBondContact O-N 2.95Å; E240-W242 VanDerWaalsContact C-N 3.32Å; E240-W242 PolarHBondContact O-N 3.48Å; W242-S245 PolarHBondContact O-N 2.87Å; W242-R246 VanDerWaalsContact CZ2-CD 3.49Å; W242-R246 HydrophobicContact CZ2-CG 4.47Å; W242-R246 PolarHBondContact O-N 2.98Å; W242-R246 VanDerWaalsContact O-N 3.1Å
243L84.6Confident80.5Confident98 Ų98119.5 Ų119.551%0.51355%0.545SS..Hα-helixtrans-65-44.1176.3-75.3171.1000111.7R239 E240 S245 R246 Q247R239-L243 WeakPolarHBondContact O-CG 3.48Å; R239-L243 PolarHBondContact O-N 2.82Å; E240-L243 PolarHBondContact O-N 2.92Å; L243-S245 VanDerWaalsContact C-N 3.33Å; L243-S245 PolarHBondContact O-N 2.8Å; L243-R246 PolarHBondContact O-N 3.32Å; L243-Q247 PolarHBondContact O-N 2.99Å
244R84Confident79Confident172 Ų172119 Ų11965%0.64954%0.542SS*.Hα-helixtrans-60.3-43.5174.8-72.9-171.1-143.1-168.75.9111.8E240 E241 R246 Q247 T248E240-R244 WeakPolarHBondContact O-CG 3.02Å; E240-R244 PolarHBondContact O-N 2.8Å; E241-R244 PolarHBondContact O-N 2.81Å; R244-R246 VanDerWaalsContact C-N 3.29Å; R244-R246 PolarHBondContact O-N 3.33Å; R244-Q247 WeakPolarHBondContact O-CB 3.46Å; R244-Q247 PolarHBondContact O-N 2.9Å; R244-Q247 VanDerWaalsContact O-N 3.07Å; R244-T248 PolarHBondContact O-N 3.36Å; R244-T248 PolarHBondContact O-OG1 2.82Å
245S79.4Confident77.7Confident62 Ų62120.5 Ų120.543%0.43455%0.547SS..Hα-helixtrans-61.2-37.8179-58.10000112.1E241 W242 L243 T248 E249E241-S245 WeakPolarHBondContact O-CB 3.35Å; E241-S245 PolarHBondContact O-N 2.82Å; E241-S245 PolarHBondContact O-OG 2.94Å; W242-S245 PolarHBondContact O-N 2.87Å; L243-S245 VanDerWaalsContact C-N 3.33Å; L243-S245 PolarHBondContact O-N 2.8Å; S245-T248 WeakPolarHBondContact CA-OG1 3.28Å; S245-T248 PolarHBondContact O-OG1 3.41Å; S245-E249 WeakPolarHBondContact O-CB 3.33Å; S245-E249 WeakPolarHBondContact O-CG 3.24Å; S245-E249 PolarHBondContact O-N 3.4Å
246R80Confident76.4Confident146 Ų146123 Ų12355%0.55156%0.558SS**Hα-helixtrans-68.8-33.4173.9-81.1-173.466.8-175.11.8113.2W242 L243 R244 K250W242-R246 VanDerWaalsContact CZ2-CD 3.49Å; W242-R246 HydrophobicContact CZ2-CG 4.47Å; W242-R246 PolarHBondContact O-N 2.98Å; W242-R246 VanDerWaalsContact O-N 3.1Å; L243-R246 PolarHBondContact O-N 3.32Å; R244-R246 VanDerWaalsContact C-N 3.29Å; R244-R246 PolarHBondContact O-N 3.33Å; R246-K250 PolarHBondContact O-N 2.9Å
247Q74.8Confident74.8Confident124 Ų124122.5 Ų122.558%0.57956%0.562SS**Hα-helixtrans-71.8-44178.1-162.3123.8-0.400110.8L243 R244 E249 K250 E251L243-Q247 PolarHBondContact O-N 2.99Å; R244-Q247 WeakPolarHBondContact O-CB 3.46Å; R244-Q247 PolarHBondContact O-N 2.9Å; R244-Q247 VanDerWaalsContact O-N 3.07Å; Q247-E249 PolarHBondContact O-N 3.39Å; Q247-K250 WeakPolarHBondContact O-CB 3.37Å; Q247-K250 PolarHBondContact O-N 3.5Å; Q247-K250 VanDerWaalsContact O-N 3.09Å; Q247-E251 WeakPolarHBondContact O-CG 3.43Å; Q247-E251 PolarHBondContact O-N 2.78Å
248T72.4Confident73.2Confident79 Ų79122.8 Ų122.849%0.48557%0.568SS.*Hα-helixtrans-64.6-37.5175.251.10000112.2R244 S245 K250 E251 Q252R244-T248 PolarHBondContact O-N 3.36Å; R244-T248 PolarHBondContact O-OG1 2.82Å; S245-T248 WeakPolarHBondContact CA-OG1 3.28Å; S245-T248 PolarHBondContact O-OG1 3.41Å; T248-K250 VanDerWaalsContact C-N 3.26Å; T248-K250 PolarHBondContact O-N 2.76Å; T248-E251 PolarHBondContact O-N 3.27Å; T248-Q252 VanDerWaalsContact O-CB 3.31Å; T248-Q252 WeakPolarHBondContact O-CB 2.9Å; T248-Q252 PolarHBondContact O-N 2.95Å
249E71.6Confident71.8Confident131 Ų131127.2 Ų127.261%0.61258%0.584SS**Hα-helixtrans-63.1-31.4172.4-81.4-178.9174.100113.1S245 Q247 R253S245-E249 WeakPolarHBondContact O-CB 3.33Å; S245-E249 WeakPolarHBondContact O-CG 3.24Å; S245-E249 PolarHBondContact O-N 3.4Å; Q247-E249 PolarHBondContact O-N 3.39Å; E249-R253 WeakPolarHBondContact O-CG 3.07Å; E249-R253 PolarHBondContact O-N 2.71Å
250K67.4Low70.3Confident153 Ų153126.5 Ų126.567%0.66559%0.593SS**Hα-helixtrans-76.5-43.3178.3-165.4-178.6178.7-1690111.5R246 Q247 T248 Q252 R253 E254R246-K250 PolarHBondContact O-N 2.9Å; Q247-K250 WeakPolarHBondContact O-CB 3.37Å; Q247-K250 PolarHBondContact O-N 3.5Å; Q247-K250 VanDerWaalsContact O-N 3.09Å; T248-K250 VanDerWaalsContact C-N 3.26Å; T248-K250 PolarHBondContact O-N 2.76Å; K250-Q252 VanDerWaalsContact C-N 3.33Å; K250-R253 PolarHBondContact O-N 2.96Å; K250-E254 PolarHBondContact O-N 3.12Å; K250-E254 VanDerWaalsContact O-N 3.1Å
251E66.2Low68.1Low91 Ų91128.4 Ų128.443%0.42564%0.64SS.*Hα-helixtrans-66.3-34.1175.6-70.9171.2-168.600112.2Q247 T248 E254 K255Q247-E251 WeakPolarHBondContact O-CG 3.43Å; Q247-E251 PolarHBondContact O-N 2.78Å; T248-E251 PolarHBondContact O-N 3.27Å; E251-E254 PolarHBondContact O-N 3.03Å; E251-K255 WeakPolarHBondContact O-CG 3.26Å; E251-K255 PolarHBondContact O-N 3.15Å; E251-K255 VanDerWaalsContact O-N 3.1Å
252Q60.8Low66.9Low114 Ų114129.7 Ų129.753%0.53365%0.648SS.*Hα-helixtrans-65.6-44.3174.4-160.377.27.200111.1T248 K250 E254 K255 D256T248-Q252 VanDerWaalsContact O-CB 3.31Å; T248-Q252 WeakPolarHBondContact O-CB 2.9Å; T248-Q252 PolarHBondContact O-N 2.95Å; K250-Q252 VanDerWaalsContact C-N 3.33Å; Q252-E254 VanDerWaalsContact C-N 3.29Å; Q252-E254 PolarHBondContact O-N 2.86Å; Q252-K255 PolarHBondContact O-N 3.05Å; Q252-D256 VanDerWaalsContact O-CG 3.24Å; Q252-D256 PolarHBondContact O-N 3.17Å; Q252-D256 VanDerWaalsContact O-N 3.12Å
253R60.5Low65.8Low189 Ų189128.6 Ų128.671%0.71365%0.653SS**Hα-helixtrans-63.9-31.5175.9-77.5179-175.2-108.61.4113.5E249 K250 L257E249-R253 WeakPolarHBondContact O-CG 3.07Å; E249-R253 PolarHBondContact O-N 2.71Å; K250-R253 PolarHBondContact O-N 2.96Å; R253-L257 WeakPolarHBondContact O-CD1 3.35Å; R253-L257 WeakPolarHBondContact O-CG 3.45Å
254E58.7Low64.7Low119 Ų119130.3 Ų130.356%0.55666%0.66SS**Hα-helixtrans-76.6-36.1179.7-167.3169.3-17500112K250 E251 Q252 L257 I258K250-E254 PolarHBondContact O-N 3.12Å; K250-E254 VanDerWaalsContact O-N 3.1Å; E251-E254 PolarHBondContact O-N 3.03Å; Q252-E254 VanDerWaalsContact C-N 3.29Å; Q252-E254 PolarHBondContact O-N 2.86Å; E254-L257 PolarHBondContact O-N 2.82Å; E254-I258 WeakPolarHBondContact O-CG1 3.27Å
255K58.4Low63.6Low135 Ų135127.8 Ų127.859%0.58766%0.661SS**Hα-helixtrans-67.2-39.3172.7-72.2172.7-177.1172.10112.5E251 Q252 L257 I258E251-K255 WeakPolarHBondContact O-CG 3.26Å; E251-K255 PolarHBondContact O-N 3.15Å; E251-K255 VanDerWaalsContact O-N 3.1Å; Q252-K255 PolarHBondContact O-N 3.05Å; K255-L257 PolarHBondContact O-N 2.81Å; K255-I258 PolarHBondContact O-N 2.85Å; K255-I258 VanDerWaalsContact O-N 3.16Å
256D59.7Low62.6Low109 Ų109131.9 Ų131.958%0.58368%0.675SS**THydrogen-bonded Turntrans-65.7-16.4176.9-66.4-16.8000113Q252Q252-D256 VanDerWaalsContact O-CG 3.24Å; Q252-D256 PolarHBondContact O-N 3.17Å; Q252-D256 VanDerWaalsContact O-N 3.12Å
257L56.5Low61.5Low135 Ų135131 Ų13171%0.70768%0.683SS**THydrogen-bonded Turntrans-87.7-16176.4-77.2162.2000113.8R253 E254 K255R253-L257 WeakPolarHBondContact O-CD1 3.35Å; R253-L257 WeakPolarHBondContact O-CG 3.45Å; E254-L257 PolarHBondContact O-N 2.82Å; K255-L257 PolarHBondContact O-N 2.81Å
258I58.3Low60.5Low133 Ų133131.5 Ų131.568%0.68269%0.691SS**THydrogen-bonded Turntrans-90.6-15.9-175.4-62165.9000111.7E254 K255 L260E254-I258 WeakPolarHBondContact O-CG1 3.27Å; K255-I258 PolarHBondContact O-N 2.85Å; K255-I258 VanDerWaalsContact O-N 3.16Å; I258-L260 PolarHBondContact O-N 3.2Å
259D57.4Low59.6Low149 Ų149135.5 Ų135.580%0.79771%0.707SS**SBendtrans-93.920.9-173.1-130.310.4000114.3
260L54.3Low58.6Low159 Ų159135.9 Ų135.983%0.83272%0.715SS**  trans-110.929.8176.1-64.3179.1000113.1I258I258-L260 PolarHBondContact O-N 3.2Å
261G45Very low57.8Low145 Ų145134.4 Ų134.4100%1.49572%0.719SS**  trans-102.60177.600000113.2

Retrieved 261 of 261 residues in 475.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).