A0A087YRR1_POEFO Loading...

GDP-D-glucose phosphorylase 1

Specific and highly efficient GDP-D-glucose phosphorylase regulating the levels of GDP-D-glucose in cells.

AlphaFold DB , UniProt , Accession A0A087YRR1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 360 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
1M63.1Low89.7Confident240 Ų24083.2 Ų83.2100%1.18244%0.437SS*.  0137.30-81.4-169.5-79.900107.8
2L81.6Confident90.2Very high59 Ų5977.6 Ų77.631%0.30941%0.407SS..  trans-66.9144.7174-69.5168.7000109.3Q4 I104 E107L2-Q4 PolarHBondContact O-N 2.87Å; L2-I104 HydrophobicContact CD1-CD1 4.04Å; L2-I104 HydrophobicContact CD1-CG2 3.99Å; L2-I104 HydrophobicContact CD2-CB 3.96Å; L2-I104 HydrophobicContact CD2-CD1 4.29Å; L2-I104 HydrophobicContact CD2-CG2 3.7Å; L2-I104 HydrophobicContact CG-CG2 4.41Å; L2-E107 HydrophobicContact CB-CG 4.06Å; L2-E107 HydrophobicContact CD1-CG 4Å
3P90.6Very high90.4Very high71 Ų7174 Ų7446%0.46139%0.39SS..  trans-58138.4171.8-20.732.1000110.3F106 E107P3-F106 HydrophobicContact CB-CB 4.07Å; P3-F106 CarbonylContact O-C 3.56Å; P3-F106 VanDerWaalsContact O-CA 3.31Å; P3-F106 WeakPolarHBondContact O-CA 3.35Å; P3-F106 VanDerWaalsContact O-CB 3.3Å; P3-F106 WeakPolarHBondContact O-CB 3.41Å; P3-E107 PolarHBondContact O-N 3.32Å
4Q94.4Very high89.9Confident120 Ų12073.7 Ų73.756%0.56139%0.393SS*.EExtended strand (participates in β ladder)trans-111.7130.4178.5-67.5-173.9-21.400110.8L2 E107 M109L2-Q4 PolarHBondContact O-N 2.87Å; Q4-E107 CarbonylContact C-O 3.56Å; Q4-E107 WeakPolarHBondContact CA-O 3.22Å; Q4-E107 HydrophobicContact CG-CB 4.45Å; Q4-E107 PolarHBondContact NE2-OE2 3.13Å; Q4-M109 HydrophobicContact CB-CE 4.15Å; Q4-M109 VanDerWaalsContact CD-CE 3.49Å; Q4-M109 HydrophobicContact CG-CE 3.95Å
5F95.9Very high89Confident3 Ų376.2 Ų76.21%0.01341%0.406CS..EExtended strand (participates in β ladder)trans-109.895.4171.9177.6-133.4000109.2Y7 K28 L29 L32 F106 E107 M108 M109 L171F5-Y7 HydrophobicContact CE1-CD1 4.29Å; F5-Y7 HydrophobicContact CE1-CG 4.5Å; F5-K28 HydrophobicContact CD2-CD 3.95Å; F5-K28 HydrophobicContact CD2-CG 4.1Å; F5-K28 HydrophobicContact CE2-CB 4.15Å; F5-K28 HydrophobicContact CE2-CD 3.69Å; F5-K28 HydrophobicContact CE2-CG 3.81Å; F5-L29 HydrophobicContact CD1-CD1 4.08Å; F5-L29 HydrophobicContact CE1-CB 3.94Å; F5-L29 HydrophobicContact CE1-CD1 3.83Å; F5-L29 HydrophobicContact CE1-CG 4.43Å; F5-L29 HydrophobicContact CZ-CB 4.2Å; F5-L32 HydrophobicContact CB-CD1 3.74Å; F5-L32 HydrophobicContact CD1-CD1 4.36Å; F5-L32 HydrophobicContact CD2-CD1 3.97Å; F5-L32 HydrophobicContact CG-CD1 3.75Å; F5-F106 HydrophobicContact CB-CD2 3.8Å; F5-F106 HydrophobicContact CB-CE2 4.1Å; F5-F106 HydrophobicContact CD1-CE2 4.08Å; F5-E107 PolarHBondContact N-O 2.98Å; F5-M108 HydrophobicContact CD1-CB 4.39Å; F5-M108 HydrophobicContact CD1-CG 3.77Å; F5-M108 HydrophobicContact CD1-SD 3.88Å; F5-M108 HydrophobicContact CE1-CG 4.34Å; F5-M108 HydrophobicContact CE1-SD 4.03Å; F5-M108 WeakPolarHBondContact O-CA 3.32Å; F5-M109 PolarHBondContact O-N 2.85Å; F5-L171 HydrophobicContact CE1-CD1 4.09Å; F5-L171 HydrophobicContact CZ-CD1 4.47Å; F5-L171 HydrophobicContact CZ-CD2 4.31Å
6V95.1Very high88.5Confident66 Ų6671.6 Ų71.640%0.438%0.381SS..EExtended strand (participates in β ladder)trans-88.2132.3170.6-177.90000108.7M109 D111V6-M109 VanDerWaalsContact CA-O 3.29Å; V6-M109 WeakPolarHBondContact CA-O 3.41Å; V6-M109 HydrophobicContact CG2-CE 4.27Å; V6-D111 HydrophobicContact CG1-CB 3.7Å
7Y94.6Very high87.7Confident3 Ų371.6 Ų71.61%0.01238%0.381CS..EExtended strand (participates in β ladder)trans-137.6157.7-178.769.8-83.3000111.8F5 D11 F12 M108 M109 K110 D111 E167 L171F5-Y7 HydrophobicContact CE1-CD1 4.29Å; F5-Y7 HydrophobicContact CE1-CG 4.5Å; Y7-D11 WeakPolarHBondContact CA-OD2 3.29Å; Y7-F12 HydrophobicContact CD2-CE1 4.16Å; Y7-F12 HydrophobicContact CE2-CE1 4.21Å; Y7-M108 HydrophobicContact CD1-CG 3.72Å; Y7-M108 HydrophobicContact CD1-SD 4.35Å; Y7-M108 HydrophobicContact CE1-CG 3.42Å; Y7-M108 VanDerWaalsContact CE1-CG 3.42Å; Y7-M108 HydrophobicContact CE1-SD 4.03Å; Y7-M109 WeakPolarHBondContact CD1-O 3.47Å; Y7-M109 VanDerWaalsContact CE1-C 3.41Å; Y7-M109 WeakPolarHBondContact CE1-O 3.49Å; Y7-M109 PolarHBondContact N-O 2.82Å; Y7-K110 HydrophobicContact CD2-CG 4.49Å; Y7-K110 HydrophobicContact CE1-CB 4.16Å; Y7-K110 HydrophobicContact CE2-CB 4.04Å; Y7-K110 HydrophobicContact CE2-CD 4.36Å; Y7-K110 HydrophobicContact CE2-CG 3.99Å; Y7-K110 CarbonylContact O-C 3.55Å; Y7-K110 WeakPolarHBondContact O-CA 3.39Å; Y7-D111 PolarHBondContact O-N 3.32Å; Y7-E167 HydrophobicContact CE2-CB 4.06Å; Y7-E167 VanDerWaalsContact CE2-OE2 3.3Å; Y7-E167 WeakPolarHBondContact CE2-OE2 3.44Å; Y7-E167 PolarHBondContact OH-OE2 3.44Å; Y7-L171 HydrophobicContact CD1-CD1 4.14Å; Y7-L171 HydrophobicContact CD2-CD1 3.61Å; Y7-L171 HydrophobicContact CD2-CD2 3.9Å; Y7-L171 HydrophobicContact CD2-CG 4.23Å; Y7-L171 HydrophobicContact CE1-CD1 4.37Å; Y7-L171 HydrophobicContact CE2-CD1 3.84Å; Y7-L171 HydrophobicContact CG-CD1 3.76Å; Y7-L171 HydrophobicContact CG-CD2 4.09Å
8S93.6Very high86.6Confident25 Ų2570 Ų7018%0.17537%0.371CS..  trans-128179.9174720000110.4Q10 D11S8-Q10 PolarHBondContact O-N 2.98Å; S8-Q10 WeakPolarHBondContact OG-CB 2.79Å; S8-Q10 PolarHBondContact OG-N 3.3Å; S8-D11 PolarHBondContact N-OD2 3.4Å; S8-D11 PolarHBondContact O-N 2.85Å; S8-D11 VanDerWaalsContact O-N 3.16Å; S8-D11 PolarHBondContact OG-OD2 2.77Å
9T91.8Very high85.6Confident78 Ų7873.3 Ų73.348%0.47938%0.382SS..G310 helixtrans-63.8-20.717354.40000112.9D11 F12T9-D11 PolarHBondContact O-N 3.49Å; T9-F12 HydrophobicContact CG2-CD2 4.42Å; T9-F12 HydrophobicContact CG2-CE2 3.77Å; T9-F12 HydrophobicContact CG2-CZ 4.15Å; T9-F12 WeakPolarHBondContact O-CB 3.32Å; T9-F12 WeakPolarHBondContact O-CG 3.45Å; T9-F12 PolarHBondContact O-N 2.92Å
10Q92.1Very high84.5Confident176 Ų17677.1 Ų77.182%0.82239%0.391SS*.G310 helixtrans-71.4-19.8176.6-60.91753400112.6S8 F12S8-Q10 PolarHBondContact O-N 2.98Å; S8-Q10 WeakPolarHBondContact OG-CB 2.79Å; S8-Q10 PolarHBondContact OG-N 3.3Å; Q10-F12 VanDerWaalsContact C-N 3.3Å
11D94.5Very high83.4Confident74 Ų7482.5 Ų82.540%0.39642%0.415SS..G310 helixtrans-84.3-6.3177.3-60.2-71.6000112.4Y7 S8 T9 L171Y7-D11 WeakPolarHBondContact CA-OD2 3.29Å; S8-D11 PolarHBondContact N-OD2 3.4Å; S8-D11 PolarHBondContact O-N 2.85Å; S8-D11 VanDerWaalsContact O-N 3.16Å; S8-D11 PolarHBondContact OG-OD2 2.77Å; T9-D11 PolarHBondContact O-N 3.49Å; D11-L171 HydrophobicContact CB-CD2 3.63Å
12F95.1Very high83.5Confident16 Ų1674.7 Ų74.77%0.0738%0.381CS..  trans-68.8134.9177.9-63.9-13.5000111.2Y7 T9 Q10 E167 L170 L171Y7-F12 HydrophobicContact CD2-CE1 4.16Å; Y7-F12 HydrophobicContact CE2-CE1 4.21Å; T9-F12 HydrophobicContact CG2-CD2 4.42Å; T9-F12 HydrophobicContact CG2-CE2 3.77Å; T9-F12 HydrophobicContact CG2-CZ 4.15Å; T9-F12 WeakPolarHBondContact O-CB 3.32Å; T9-F12 WeakPolarHBondContact O-CG 3.45Å; T9-F12 PolarHBondContact O-N 2.92Å; Q10-F12 VanDerWaalsContact C-N 3.3Å; F12-E167 HydrophobicContact CE1-CB 4.03Å; F12-E167 HydrophobicContact CE1-CG 4.14Å; F12-E167 HydrophobicContact CZ-CB 4.09Å; F12-E167 HydrophobicContact CZ-CG 3.67Å; F12-L170 HydrophobicContact CB-CB 4.28Å; F12-L170 HydrophobicContact CD1-CB 4.01Å; F12-L170 HydrophobicContact CD2-CB 4.38Å; F12-L170 HydrophobicContact CD2-CD1 4.1Å; F12-L170 HydrophobicContact CE1-CB 4.48Å; F12-L170 HydrophobicContact CE2-CD1 4.14Å; F12-L170 HydrophobicContact CG-CB 3.98Å; F12-L171 HydrophobicContact CD1-CD2 3.78Å; F12-L171 HydrophobicContact CD1-CG 3.92Å; F12-L171 HydrophobicContact CE1-CD2 4.08Å; F12-L171 HydrophobicContact CE1-CG 4.04Å
13V93Very high82.9Confident31 Ų3175.3 Ų75.319%0.18838%0.379CS..  trans-89.6105.9175.9-172.40000108.4V16 L170 R266V13-V16 HydrophobicContact CB-CG2 4.32Å; V13-V16 HydrophobicContact CG1-CG2 3.76Å; V13-L170 PolarHBondContact N-O 3.36Å; V13-R266 VanDerWaalsContact O-CZ 3.25Å; V13-R266 PolarHBondContact O-NH1 2.76Å; V13-R266 PolarHBondContact O-NH2 3.4Å
14T82.9Confident82.3Confident70 Ų7074.5 Ų74.543%0.42937%0.374SS..  trans-86.7-25-17550.10000113.6
15D76.8Confident81.9Confident111 Ų11173.9 Ų73.959%0.59438%0.38SS*.  trans-114.581.3-176.3-68.5-47.9000111.5
16V80.7Confident81.8Confident2 Ų276.6 Ų76.61%0.01240%0.398CS..  trans-97.8127.2171.9-172.20000109.6V13 P175 R283V13-V16 HydrophobicContact CB-CG2 4.32Å; V13-V16 HydrophobicContact CG1-CG2 3.76Å; V16-P175 HydrophobicContact CG1-CB 3.63Å; V16-P175 HydrophobicContact CG1-CG 3.97Å; V16-R283 HydrophobicContact CB-CB 4.35Å; V16-R283 WeakPolarHBondContact O-CB 3.08Å; V16-R283 PolarHBondContact O-N 3.38Å; V16-R283 VanDerWaalsContact O-N 3.17Å
17L75.4Confident81.8Confident73 Ų7374.4 Ų74.438%0.38239%0.386SS..BIsolated β-bridgetrans-103.7143.5174.6-65.9177.4000110.6K19 L282L17-K19 VanDerWaalsContact C-N 3.32Å; L17-K19 PolarHBondContact O-N 3.06Å; L17-L282 HydrophobicContact CD2-CD2 4.43Å
18Q67.3Low81.9Confident42 Ų4280.2 Ų80.220%0.19641%0.411CS..SBendtrans-65.1-33.8179.7-169.7-176.7-500113.3R20 R23 E203Q18-R20 PolarHBondContact O-N 3.23Å; Q18-R23 PolarHBondContact O-NH2 2.86Å; Q18-E203 PolarHBondContact NE2-OE1 3.03Å; Q18-E203 PolarHBondContact NE2-OE2 3.47Å
19K67.9Low82.1Confident132 Ų13279.2 Ų79.257%0.57440%0.404SS*.  trans-69.8128.7-171.4-67.7-174.1179-175.60112.5L17 E21 T22 R23L17-K19 VanDerWaalsContact C-N 3.32Å; L17-K19 PolarHBondContact O-N 3.06Å; K19-E21 VanDerWaalsContact C-N 3.32Å; K19-E21 PolarHBondContact O-N 2.88Å; K19-T22 PolarHBondContact O-N 3.29Å; K19-T22 PolarHBondContact O-OG1 2.85Å; K19-R23 WeakPolarHBondContact O-CG 3.29Å
20R64.4Low82.4Confident150 Ų15075.6 Ų75.657%0.56638%0.382SS*.G310 helixtrans-57.9-38.9178.4-75.2-175178.2-169.71.3113.4Q18 T22 R23 D201Q18-R20 PolarHBondContact O-N 3.23Å; R20-T22 PolarHBondContact O-N 3.11Å; R20-R23 PolarHBondContact O-N 3.23Å; R20-D201 IonicContact CZ-OD1 2.99Å; R20-D201 IonicContact CZ-OD2 3.35Å; R20-D201 IonicContact NE-OD1 3.09Å; R20-D201 PolarHBondContact NE-OD1 3.02Å; R20-D201 IonicContact NE-OD2 3.73Å; R20-D201 PolarHBondContact NE-OD2 3.35Å; R20-D201 IonicContact NH1-OD2 3.56Å; R20-D201 PolarHBondContact NH2-O 3Å; R20-D201 IonicContact NH2-OD1 3.66Å; R20-D201 PolarHBondContact NH2-OD1 2.89Å; R20-D201 IonicContact NH2-OD2 2.66Å; R20-D201 PolarHBondContact NH2-OD2 3.44Å
21E60.6Low82.7Confident191 Ų19169.2 Ų69.289%0.89336%0.356SS*.G310 helixtrans-70.4-16.7-174.3-64.2174.217700114.3K19K19-E21 VanDerWaalsContact C-N 3.32Å; K19-E21 PolarHBondContact O-N 2.88Å
22T64.8Low82.8Confident76 Ų7668.4 Ų68.447%0.46635%0.352SS..G310 helixtrans-117.316.9-176.460.80000112.3K19 R20K19-T22 PolarHBondContact O-N 3.29Å; K19-T22 PolarHBondContact O-OG1 2.85Å; R20-T22 PolarHBondContact O-N 3.11Å
23R69.3Low83Confident71 Ų7167.8 Ų67.827%0.26835%0.349SS..PPolyproline II helixtrans-71.4133.3-178-70.6-174.1-177.2161.33.8110.3Q18 K19 R20 D201Q18-R23 PolarHBondContact O-NH2 2.86Å; K19-R23 WeakPolarHBondContact O-CG 3.29Å; R20-R23 PolarHBondContact O-N 3.23Å; R23-D201 IonicContact CZ-OD1 2.64Å; R23-D201 VanDerWaalsContact CZ-OD1 3.24Å; R23-D201 IonicContact CZ-OD2 3.73Å; R23-D201 IonicContact NH1-OD1 3.92Å; R23-D201 PolarHBondContact NH1-OD1 3.35Å; R23-D201 IonicContact NH1-OD2 3.37Å; R23-D201 PolarHBondContact NH1-OD2 3.45Å; R23-D201 IonicContact NH2-OD1 2.71Å; R23-D201 PolarHBondContact NH2-OD1 3.47Å
24P77.3Confident83.2Confident55 Ų5571.1 Ų71.136%0.35736%0.358SS..PPolyproline II helixtrans-60.7163.8169.929.6-37.2000110.4
25P87.6Confident83.9Confident107 Ų10773.1 Ų73.170%0.69537%0.366SS*.PPolyproline II helixtrans-54.9156169.325.1-34.3000111.1S27 S173P25-S27 PolarHBondContact O-N 3.38Å; P25-S173 PolarHBondContact O-OG 3.21Å
26P92.9Very high85Confident59 Ų5968.4 Ų68.438%0.38334%0.344SS..PPolyproline II helixtrans-52.9135.9176.1-24.134.5000110.6D30P26-D30 HydrophobicContact CB-CB 3.75Å
27S95.8Very high85.8Confident21 Ų2168.8 Ų68.815%0.14735%0.345CS..  trans-65.6175.4173.281.90000111.1P25 L29 D30 S31 L171 S173P25-S27 PolarHBondContact O-N 3.38Å; S27-L29 VanDerWaalsContact C-N 3.3Å; S27-L29 PolarHBondContact O-N 3.1Å; S27-L29 PolarHBondContact OG-N 2.88Å; S27-D30 PolarHBondContact N-OD2 2.73Å; S27-D30 VanDerWaalsContact N-OD2 3.13Å; S27-D30 PolarHBondContact O-N 3.28Å; S27-D30 PolarHBondContact OG-N 3.13Å; S27-D30 PolarHBondContact OG-OD2 3.48Å; S27-S31 PolarHBondContact O-N 3.13Å; S27-S31 PolarHBondContact O-OG 3.3Å; S27-L171 WeakPolarHBondContact CB-O 3.3Å; S27-L171 PolarHBondContact OG-O 2.81Å; S27-S173 PolarHBondContact N-OG 3.04Å; S27-S173 VanDerWaalsContact N-OG 3.14Å
28K96.7Very high86.9Confident125 Ų12568 Ų6854%0.54334%0.343SS..Hα-helixtrans-60.6-41.7173.5-175.4170.5172-166.20111.6F5 D30 S31 L32F5-K28 HydrophobicContact CD2-CD 3.95Å; F5-K28 HydrophobicContact CD2-CG 4.1Å; F5-K28 HydrophobicContact CE2-CB 4.15Å; F5-K28 HydrophobicContact CE2-CD 3.69Å; F5-K28 HydrophobicContact CE2-CG 3.81Å; K28-D30 VanDerWaalsContact C-N 3.34Å; K28-S31 PolarHBondContact O-N 3.15Å; K28-L32 HydrophobicContact CG-CD1 4.25Å; K28-L32 VanDerWaalsContact O-CG 3.27Å; K28-L32 WeakPolarHBondContact O-CG 3.38Å; K28-L32 PolarHBondContact O-N 2.9Å; K28-L32 VanDerWaalsContact O-N 3.08Å
29L97.8Very high88.4Confident3 Ų369 Ų692%0.01635%0.35CS..Hα-helixtrans-60.5-46.6174.3178.966.6000110.5F5 S27 S31 L32 I33 F106 M108 S168 L171 F177F5-L29 HydrophobicContact CD1-CD1 4.08Å; F5-L29 HydrophobicContact CE1-CB 3.94Å; F5-L29 HydrophobicContact CE1-CD1 3.83Å; F5-L29 HydrophobicContact CE1-CG 4.43Å; F5-L29 HydrophobicContact CZ-CB 4.2Å; S27-L29 VanDerWaalsContact C-N 3.3Å; S27-L29 PolarHBondContact O-N 3.1Å; S27-L29 PolarHBondContact OG-N 2.88Å; L29-S31 PolarHBondContact O-N 3.31Å; L29-L32 PolarHBondContact O-N 3.48Å; L29-I33 HydrophobicContact CD1-CD1 3.84Å; L29-I33 HydrophobicContact CD1-CG1 4.26Å; L29-I33 HydrophobicContact CG-CD1 3.96Å; L29-I33 WeakPolarHBondContact O-CG1 3.37Å; L29-I33 PolarHBondContact O-N 2.75Å; L29-F106 HydrophobicContact CD1-CE2 4.18Å; L29-F106 HydrophobicContact CD1-CZ 3.79Å; L29-M108 HydrophobicContact CD1-SD 4.17Å; L29-S168 WeakPolarHBondContact CD2-O 3.34Å; L29-L171 HydrophobicContact CB-CB 4.14Å; L29-L171 HydrophobicContact CD2-CB 3.61Å; L29-L171 HydrophobicContact CD2-CD1 4.48Å; L29-L171 HydrophobicContact CG-CB 4.49Å; L29-F177 HydrophobicContact CD2-CE1 4.27Å
30D97.8Very high89.8Confident3 Ų364.9 Ų64.92%0.01633%0.331CS..Hα-helixtrans-63.1-43.6-178.7-63.1-44.6000112.5P26 S27 K28 I33 R34 S172 S173 Y199P26-D30 HydrophobicContact CB-CB 3.75Å; S27-D30 PolarHBondContact N-OD2 2.73Å; S27-D30 VanDerWaalsContact N-OD2 3.13Å; S27-D30 PolarHBondContact O-N 3.28Å; S27-D30 PolarHBondContact OG-N 3.13Å; S27-D30 PolarHBondContact OG-OD2 3.48Å; K28-D30 VanDerWaalsContact C-N 3.34Å; D30-I33 PolarHBondContact O-N 2.64Å; D30-R34 WeakPolarHBondContact O-CB 3.47Å; D30-R34 WeakPolarHBondContact O-CD 3.33Å; D30-R34 WeakPolarHBondContact O-CG 3.49Å; D30-R34 PolarHBondContact O-N 2.87Å; D30-S172 VanDerWaalsContact CG-OG 3.28Å; D30-S172 WeakPolarHBondContact OD1-CB 3.34Å; D30-S172 PolarHBondContact OD1-OG 3.19Å; D30-S172 PolarHBondContact OD2-OG 3.14Å; D30-S173 PolarHBondContact OD2-N 2.9Å; D30-S173 PolarHBondContact OD2-OG 3.32Å; D30-Y199 VanDerWaalsContact CA-OH 3.3Å; D30-Y199 WeakPolarHBondContact CA-OH 3.48Å; D30-Y199 VanDerWaalsContact OD1-CE1 3.3Å; D30-Y199 WeakPolarHBondContact OD1-CE1 3.41Å; D30-Y199 PolarHBondContact OD1-OH 3.07Å
31S97.5Very high91.4Very high42 Ų4258.3 Ų58.329%0.29431%0.307SS..Hα-helixtrans-61.4-46.7177.9-52.10000110.6S27 K28 L29 I33 R34 D35S27-S31 PolarHBondContact O-N 3.13Å; S27-S31 PolarHBondContact O-OG 3.3Å; K28-S31 PolarHBondContact O-N 3.15Å; L29-S31 PolarHBondContact O-N 3.31Å; S31-I33 PolarHBondContact O-N 3.31Å; S31-R34 PolarHBondContact O-N 3.31Å; S31-D35 VanDerWaalsContact O-CB 3.23Å; S31-D35 WeakPolarHBondContact O-CB 3.28Å; S31-D35 PolarHBondContact O-N 3.09Å
32L97.9Very high93.1Very high56 Ų5655.3 Ų55.329%0.29330%0.297SS..Hα-helixtrans-60.1-44.5178.8-72.6170.6000113F5 K28 L29 G36 F106F5-L32 HydrophobicContact CB-CD1 3.74Å; F5-L32 HydrophobicContact CD1-CD1 4.36Å; F5-L32 HydrophobicContact CD2-CD1 3.97Å; F5-L32 HydrophobicContact CG-CD1 3.75Å; K28-L32 HydrophobicContact CG-CD1 4.25Å; K28-L32 VanDerWaalsContact O-CG 3.27Å; K28-L32 WeakPolarHBondContact O-CG 3.38Å; K28-L32 PolarHBondContact O-N 2.9Å; K28-L32 VanDerWaalsContact O-N 3.08Å; L29-L32 PolarHBondContact O-N 3.48Å; L32-G36 PolarHBondContact O-N 3.39Å; L32-G36 VanDerWaalsContact O-N 3.17Å; L32-F106 HydrophobicContact CB-CD1 3.87Å; L32-F106 HydrophobicContact CB-CE1 3.61Å; L32-F106 HydrophobicContact CB-CZ 4.18Å; L32-F106 HydrophobicContact CD1-CD1 4.5Å
33I98.5Very high94.7Very high3 Ų356.8 Ų56.82%0.01529%0.294CS..Hα-helixtrans-69.9-48.3179.2-64.5173.7000110.4L29 D30 S31 W37 F106 F177 Y199L29-I33 HydrophobicContact CD1-CD1 3.84Å; L29-I33 HydrophobicContact CD1-CG1 4.26Å; L29-I33 HydrophobicContact CG-CD1 3.96Å; L29-I33 WeakPolarHBondContact O-CG1 3.37Å; L29-I33 PolarHBondContact O-N 2.75Å; D30-I33 PolarHBondContact O-N 2.64Å; S31-I33 PolarHBondContact O-N 3.31Å; I33-W37 WeakPolarHBondContact O-CB 3.46Å; I33-W37 PolarHBondContact O-N 2.92Å; I33-F106 HydrophobicContact CG1-CE1 3.86Å; I33-F106 HydrophobicContact CG1-CZ 3.89Å; I33-F177 HydrophobicContact CD1-CE2 3.83Å; I33-F177 HydrophobicContact CD1-CZ 3.75Å; I33-Y199 HydrophobicContact CB-CE2 4.3Å; I33-Y199 HydrophobicContact CG2-CE2 3.8Å
34R97.9Very high96Very high101 Ų10156.1 Ų56.138%0.38131%0.309SS..Hα-helixtrans-67.4-47.4-173.4-67.4176.564.1-178.4-0.3112.2D30 S31 T38 F140 Y199D30-R34 WeakPolarHBondContact O-CB 3.47Å; D30-R34 WeakPolarHBondContact O-CD 3.33Å; D30-R34 WeakPolarHBondContact O-CG 3.49Å; D30-R34 PolarHBondContact O-N 2.87Å; S31-R34 PolarHBondContact O-N 3.31Å; R34-T38 WeakPolarHBondContact O-CB 3.32Å; R34-T38 PolarHBondContact O-N 3.22Å; R34-T38 PolarHBondContact O-OG1 3Å; R34-F140 HydrophobicContact CB-CE1 4.22Å; R34-F140 HydrophobicContact CB-CZ 3.9Å; R34-F140 HydrophobicContact CG-CE1 3.68Å; R34-F140 HydrophobicContact CG-CZ 3.9Å; R34-Y199 HydrophobicContact CG-CE2 4.05Å
35D97.9Very high97Very high113 Ų11355.1 Ų55.160%0.60430%0.301SS*.Hα-helixtrans-69.4-44.3-179.1-61.1-16.7000110S31 T38 D39S31-D35 VanDerWaalsContact O-CB 3.23Å; S31-D35 WeakPolarHBondContact O-CB 3.28Å; S31-D35 PolarHBondContact O-N 3.09Å; D35-T38 PolarHBondContact O-N 2.87Å; D35-D39 WeakPolarHBondContact O-CB 3.33Å; D35-D39 PolarHBondContact O-N 3.4Å
36G98.1Very high97.5Very high12 Ų1251 Ų5112%0.12427%0.272CS..Hα-helixtrans-60.2-49.5176.100000112L32 T38 D39 R40L32-G36 PolarHBondContact O-N 3.39Å; L32-G36 VanDerWaalsContact O-N 3.17Å; G36-T38 VanDerWaalsContact C-N 3.32Å; G36-T38 PolarHBondContact O-N 3.44Å; G36-D39 PolarHBondContact O-N 2.89Å; G36-R40 WeakPolarHBondContact O-CD 3.45Å; G36-R40 PolarHBondContact O-N 3.36Å
37W98.4Very high97.6Very high10 Ų1052.7 Ų52.74%0.03827%0.27CS..Hα-helixtrans-61-41.3179.1-172.3100.9000112I33 R40 M41 F46 L50 P137 F140 G141I33-W37 WeakPolarHBondContact O-CB 3.46Å; I33-W37 PolarHBondContact O-N 2.92Å; W37-R40 PolarHBondContact O-N 2.86Å; W37-M41 HydrophobicContact CE3-CB 4.36Å; W37-M41 HydrophobicContact CH2-CE 3.29Å; W37-M41 HydrophobicContact CH2-CG 4.48Å; W37-M41 HydrophobicContact CZ2-CE 3.43Å; W37-M41 VanDerWaalsContact CZ2-CE 3.43Å; W37-M41 HydrophobicContact CZ3-CB 4.16Å; W37-M41 HydrophobicContact CZ3-CE 3.96Å; W37-M41 HydrophobicContact CZ3-CG 4.29Å; W37-M41 WeakPolarHBondContact O-CB 3.46Å; W37-M41 PolarHBondContact O-N 2.93Å; W37-F46 AromaticContact CD1-CZ 3.65Å; W37-F46 AromaticContact CD2-CZ 3.99Å; W37-F46 HydrophobicContact CD2-CZ 3.99Å; W37-F46 AromaticContact CE2-CE1 3.91Å; W37-F46 AromaticContact CE2-CZ 3.62Å; W37-F46 HydrophobicContact CG-CZ 4.02Å; W37-F46 HydrophobicContact CZ2-CE1 4.31Å; W37-F46 HydrophobicContact CZ2-CZ 4.24Å; W37-F46 AromaticContact NE1-CE1 3.48Å; W37-F46 AromaticContact NE1-CZ 3.39Å; W37-L50 HydrophobicContact CH2-CB 4.16Å; W37-L50 HydrophobicContact CH2-CD2 4.01Å; W37-L50 HydrophobicContact CZ2-CB 4.4Å; W37-L50 HydrophobicContact CZ2-CD2 3.9Å; W37-P137 HydrophobicContact CZ2-CB 4Å; W37-P137 HydrophobicContact CZ2-CG 4.32Å; W37-F140 HydrophobicContact CD2-CD2 4.32Å; W37-F140 HydrophobicContact CD2-CE2 4.46Å; W37-F140 AromaticContact CE3-CD2 3.57Å; W37-F140 HydrophobicContact CE3-CD2 3.57Å; W37-F140 AromaticContact CE3-CE2 3.6Å; W37-F140 HydrophobicContact CE3-CE2 3.6Å; W37-F140 HydrophobicContact CH2-CD2 4.02Å; W37-F140 AromaticContact CZ3-CD2 3.42Å; W37-F140 HydrophobicContact CZ3-CD2 3.42Å; W37-F140 VanDerWaalsContact CZ3-CD2 3.42Å; W37-F140 AromaticContact CZ3-CE2 3.81Å; W37-F140 HydrophobicContact CZ3-CE2 3.81Å; W37-G141 VanDerWaalsContact CD1-CA 3.48Å
38T98.3Very high97.6Very high55 Ų5552.3 Ų52.334%0.33727%0.266SS..Hα-helixtrans-64.9-48178.2-54.60000111.4R34 D35 G36 R40 M41 D42R34-T38 WeakPolarHBondContact O-CB 3.32Å; R34-T38 PolarHBondContact O-N 3.22Å; R34-T38 PolarHBondContact O-OG1 3Å; D35-T38 PolarHBondContact O-N 2.87Å; G36-T38 VanDerWaalsContact C-N 3.32Å; G36-T38 PolarHBondContact O-N 3.44Å; T38-R40 VanDerWaalsContact C-N 3.3Å; T38-R40 PolarHBondContact O-N 2.84Å; T38-M41 WeakPolarHBondContact O-CA 3.46Å; T38-M41 WeakPolarHBondContact O-CB 3.49Å; T38-M41 PolarHBondContact O-N 3.39Å; T38-D42 PolarHBondContact O-N 3.35Å
39D98.1Very high97.5Very high64 Ų6452.1 Ų52.134%0.34227%0.267SS..Hα-helixtrans-55-45.8175.1168.783.5000111.8D35 G36 M41 D42 R43D35-D39 WeakPolarHBondContact O-CB 3.33Å; D35-D39 PolarHBondContact O-N 3.4Å; G36-D39 PolarHBondContact O-N 2.89Å; D39-M41 VanDerWaalsContact C-N 3.25Å; D39-M41 PolarHBondContact O-N 2.91Å; D39-D42 PolarHBondContact O-N 2.99Å; D39-R43 WeakPolarHBondContact O-CB 3.48Å; D39-R43 WeakPolarHBondContact O-CD 3.38Å; D39-R43 WeakPolarHBondContact O-CG 3.33Å; D39-R43 PolarHBondContact O-N 3.07Å; D39-R43 VanDerWaalsContact OD2-CD 3.3Å; D39-R43 WeakPolarHBondContact OD2-CD 3.25Å; D39-R43 IonicContact OD2-NH1 2.74Å; D39-R43 PolarHBondContact OD2-NH1 3.23Å
40R98.1Very high97.4Very high45 Ų4552.8 Ų52.817%0.1727%0.27CS..Hα-helixtrans-67.3-28.8179.1-8270-176.2155.7-21.2112.1G36 W37 T38 G44 L45 F46 E102 I104 L105 I133G36-R40 WeakPolarHBondContact O-CD 3.45Å; G36-R40 PolarHBondContact O-N 3.36Å; W37-R40 PolarHBondContact O-N 2.86Å; T38-R40 VanDerWaalsContact C-N 3.3Å; T38-R40 PolarHBondContact O-N 2.84Å; R40-G44 PolarHBondContact O-N 3.05Å; R40-L45 HydrophobicContact CB-CB 4.35Å; R40-L45 HydrophobicContact CB-CD1 4.09Å; R40-L45 HydrophobicContact CG-CD1 3.66Å; R40-L45 PolarHBondContact O-N 3.12Å; R40-F46 HydrophobicContact CB-CE2 3.86Å; R40-F46 HydrophobicContact CB-CZ 4.49Å; R40-E102 PolarHBondContact NE-O 3.19Å; R40-I104 PolarHBondContact NH2-O 2.91Å; R40-L105 HydrophobicContact CG-CD2 4.45Å; R40-I133 HydrophobicContact CB-CD1 4.04Å; R40-I133 HydrophobicContact CB-CG2 4.1Å; R40-I133 HydrophobicContact CG-CD1 4.31Å; R40-I133 HydrophobicContact CG-CG2 4.18Å
41M97.8Very high97Very high13 Ų1354.6 Ų54.66%0.06429%0.289CS..Hα-helixtrans-71.4-46.1177.4-174.961.273.400110.1W37 T38 D39 R43 G44 F46 L50 P137W37-M41 HydrophobicContact CE3-CB 4.36Å; W37-M41 HydrophobicContact CH2-CE 3.29Å; W37-M41 HydrophobicContact CH2-CG 4.48Å; W37-M41 HydrophobicContact CZ2-CE 3.43Å; W37-M41 VanDerWaalsContact CZ2-CE 3.43Å; W37-M41 HydrophobicContact CZ3-CB 4.16Å; W37-M41 HydrophobicContact CZ3-CE 3.96Å; W37-M41 HydrophobicContact CZ3-CG 4.29Å; W37-M41 WeakPolarHBondContact O-CB 3.46Å; W37-M41 PolarHBondContact O-N 2.93Å; T38-M41 WeakPolarHBondContact O-CA 3.46Å; T38-M41 WeakPolarHBondContact O-CB 3.49Å; T38-M41 PolarHBondContact O-N 3.39Å; D39-M41 VanDerWaalsContact C-N 3.25Å; D39-M41 PolarHBondContact O-N 2.91Å; M41-R43 PolarHBondContact O-N 2.66Å; M41-G44 PolarHBondContact O-N 3Å; M41-F46 HydrophobicContact CB-CD2 4.07Å; M41-F46 HydrophobicContact CB-CE2 3.79Å; M41-F46 HydrophobicContact CE-CB 4.22Å; M41-F46 HydrophobicContact CE-CD1 3.99Å; M41-F46 HydrophobicContact CE-CD2 3.55Å; M41-F46 HydrophobicContact CE-CE1 4.18Å; M41-F46 HydrophobicContact CE-CE2 3.77Å; M41-F46 HydrophobicContact CE-CG 3.64Å; M41-F46 HydrophobicContact CE-CZ 4.06Å; M41-F46 HydrophobicContact CG-CD2 4.5Å; M41-F46 HydrophobicContact SD-CB 4.25Å; M41-F46 HydrophobicContact SD-CD2 3.67Å; M41-F46 HydrophobicContact SD-CE2 4.22Å; M41-F46 HydrophobicContact SD-CG 4.06Å; M41-L50 HydrophobicContact CE-CB 3.78Å; M41-P137 HydrophobicContact CE-CG 4.27Å
42D97.6Very high96.7Very high127 Ų12761 Ų6168%0.67932%0.32SS*.Hα-helixtrans-63.1-31.4176.9-67.5-19.4000112.1T38 D39 G44T38-D42 PolarHBondContact O-N 3.35Å; D39-D42 PolarHBondContact O-N 2.99Å; D42-G44 VanDerWaalsContact C-N 3.3Å
43R97.6Very high96.6Very high108 Ų10859.7 Ų59.741%0.40831%0.314SS..THydrogen-bonded Turntrans-81.8-3.5176-67170.162.5-160.7-3114.2D39 M41 L45 E102D39-R43 WeakPolarHBondContact O-CB 3.48Å; D39-R43 WeakPolarHBondContact O-CD 3.38Å; D39-R43 WeakPolarHBondContact O-CG 3.33Å; D39-R43 PolarHBondContact O-N 3.07Å; D39-R43 VanDerWaalsContact OD2-CD 3.3Å; D39-R43 WeakPolarHBondContact OD2-CD 3.25Å; D39-R43 IonicContact OD2-NH1 2.74Å; D39-R43 PolarHBondContact OD2-NH1 3.23Å; M41-R43 PolarHBondContact O-N 2.66Å; R43-L45 HydrophobicContact CB-CD1 4.35Å; R43-L45 HydrophobicContact CB-CG 4.32Å; R43-E102 IonicContact CZ-OE1 2.9Å; R43-E102 IonicContact NH2-OE1 3.02Å; R43-E102 PolarHBondContact NH2-OE1 2.76Å; R43-E102 IonicContact NH2-OE2 3.28Å
44G97.2Very high96.6Very high57 Ų5764.5 Ų64.559%0.58834%0.336SS*.THydrogen-bonded Turntrans72.130.6176.200000114.7R40 M41 D42 F46R40-G44 PolarHBondContact O-N 3.05Å; M41-G44 PolarHBondContact O-N 3Å; D42-G44 VanDerWaalsContact C-N 3.3Å; G44-F46 VanDerWaalsContact C-N 3.28Å; G44-F46 PolarHBondContact O-N 3.08Å
45L97.7Very high96.5Very high34 Ų3462.2 Ų62.218%0.17833%0.334CS..  trans-83.3-1.7-179.1-66.3170.9000113.9R40 R43 E102 I133R40-L45 HydrophobicContact CB-CB 4.35Å; R40-L45 HydrophobicContact CB-CD1 4.09Å; R40-L45 HydrophobicContact CG-CD1 3.66Å; R40-L45 PolarHBondContact O-N 3.12Å; R43-L45 HydrophobicContact CB-CD1 4.35Å; R43-L45 HydrophobicContact CB-CG 4.32Å; L45-E102 HydrophobicContact CD1-CB 3.91Å; L45-E102 HydrophobicContact CD2-CB 4.46Å; L45-I133 HydrophobicContact CB-CD1 4Å
46F97.6Very high96.5Very high19 Ų1959.9 Ų59.98%0.08332%0.316CS..SBendtrans-95.2157.1175.1-63.6-95.7000110.8W37 R40 M41 G44 Y48 I133 N134 P137W37-F46 AromaticContact CD1-CZ 3.65Å; W37-F46 AromaticContact CD2-CZ 3.99Å; W37-F46 HydrophobicContact CD2-CZ 3.99Å; W37-F46 AromaticContact CE2-CE1 3.91Å; W37-F46 AromaticContact CE2-CZ 3.62Å; W37-F46 HydrophobicContact CG-CZ 4.02Å; W37-F46 HydrophobicContact CZ2-CE1 4.31Å; W37-F46 HydrophobicContact CZ2-CZ 4.24Å; W37-F46 AromaticContact NE1-CE1 3.48Å; W37-F46 AromaticContact NE1-CZ 3.39Å; R40-F46 HydrophobicContact CB-CE2 3.86Å; R40-F46 HydrophobicContact CB-CZ 4.49Å; M41-F46 HydrophobicContact CB-CD2 4.07Å; M41-F46 HydrophobicContact CB-CE2 3.79Å; M41-F46 HydrophobicContact CE-CB 4.22Å; M41-F46 HydrophobicContact CE-CD1 3.99Å; M41-F46 HydrophobicContact CE-CD2 3.55Å; M41-F46 HydrophobicContact CE-CE1 4.18Å; M41-F46 HydrophobicContact CE-CE2 3.77Å; M41-F46 HydrophobicContact CE-CG 3.64Å; M41-F46 HydrophobicContact CE-CZ 4.06Å; M41-F46 HydrophobicContact CG-CD2 4.5Å; M41-F46 HydrophobicContact SD-CB 4.25Å; M41-F46 HydrophobicContact SD-CD2 3.67Å; M41-F46 HydrophobicContact SD-CE2 4.22Å; M41-F46 HydrophobicContact SD-CG 4.06Å; G44-F46 VanDerWaalsContact C-N 3.28Å; G44-F46 PolarHBondContact O-N 3.08Å; F46-Y48 WeakPolarHBondContact CB-O 3.27Å; F46-Y48 PolarHBondContact O-N 2.88Å; F46-I133 HydrophobicContact CD1-CD1 4.14Å; F46-I133 HydrophobicContact CD2-CD1 4.09Å; F46-I133 HydrophobicContact CE1-CB 3.86Å; F46-I133 HydrophobicContact CE1-CD1 3.86Å; F46-I133 HydrophobicContact CE1-CG1 4.37Å; F46-I133 HydrophobicContact CE1-CG2 4.35Å; F46-I133 HydrophobicContact CE2-CD1 3.79Å; F46-I133 HydrophobicContact CE2-CG2 4.49Å; F46-I133 HydrophobicContact CG-CD1 4.29Å; F46-I133 HydrophobicContact CZ-CB 3.78Å; F46-I133 HydrophobicContact CZ-CD1 3.69Å; F46-I133 HydrophobicContact CZ-CG1 4.33Å; F46-I133 HydrophobicContact CZ-CG2 3.77Å; F46-N134 WeakPolarHBondContact CD1-O 3.42Å; F46-N134 WeakPolarHBondContact CE1-O 3.16Å; F46-P137 HydrophobicContact CD1-CB 4.16Å; F46-P137 HydrophobicContact CD1-CG 3.64Å; F46-P137 HydrophobicContact CE1-CB 4.08Å; F46-P137 HydrophobicContact CE1-CG 4.03Å; F46-P137 HydrophobicContact CG-CG 4.47Å
47R95.6Very high96.5Very high95 Ų9563.4 Ų63.436%0.35833%0.331SS..SBendtrans-67.3-23.9176.7-65.8-172.2179.1-150.7-13.8113.5E75 R77 V135 S136R47-E75 HydrophobicContact CB-CB 4.19Å; R47-E75 WeakPolarHBondContact CD-O 3.48Å; R47-E75 PolarHBondContact NH1-O 3.24Å; R47-R77 VanDerWaalsContact NH1-CA 3.29Å; R47-V135 WeakPolarHBondContact CB-O 3.33Å; R47-V135 HydrophobicContact CG-CB 4.46Å; R47-V135 HydrophobicContact CG-CG2 4.39Å; R47-V135 WeakPolarHBondContact CG-O 3.3Å; R47-V135 PolarHBondContact N-O 2.75Å; R47-S136 WeakPolarHBondContact CD-OG 3.46Å
48Y95.3Very high96.5Very high14 Ų1463 Ų636%0.05533%0.33CS..SBendtrans-151.4156.6175.755.9-85.5000109.1F46 L50 Q71 R72 E75 P137F46-Y48 WeakPolarHBondContact CB-O 3.27Å; F46-Y48 PolarHBondContact O-N 2.88Å; Y48-L50 HydrophobicContact CE2-CD1 4.04Å; Y48-Q71 HydrophobicContact CD1-CB 4.18Å; Y48-Q71 HydrophobicContact CD2-CB 3.59Å; Y48-Q71 HydrophobicContact CD2-CG 4.48Å; Y48-Q71 HydrophobicContact CE2-CB 4.08Å; Y48-Q71 HydrophobicContact CG-CB 3.64Å; Y48-R72 HydrophobicContact CE1-CB 4.45Å; Y48-R72 WeakPolarHBondContact OH-CA 3.49Å; Y48-R72 WeakPolarHBondContact OH-CB 3.32Å; Y48-R72 WeakPolarHBondContact OH-CG 3.11Å; Y48-E75 HydrophobicContact CD1-CB 3.63Å; Y48-E75 HydrophobicContact CD1-CG 3.98Å; Y48-E75 HydrophobicContact CE1-CB 4.12Å; Y48-P137 HydrophobicContact CE2-CG 4.25Å; Y48-P137 PolarHBondContact OH-O 3.41Å
49H94.7Very high96.4Very high121 Ų12165.5 Ų65.556%0.5635%0.347SS*.  trans-77.2123.4174.2-177.274.8000109.9Q71H49-Q71 PolarHBondContact O-OE1 3.17Å; H49-Q71 VanDerWaalsContact O-OE1 3.08Å
50L94.9Very high96.2Very high16 Ų1665 Ų658%0.08436%0.357CS..  trans-92.9101.2174.8-170.777000109.1W37 M41 Y48 L53 N69 P137W37-L50 HydrophobicContact CH2-CB 4.16Å; W37-L50 HydrophobicContact CH2-CD2 4.01Å; W37-L50 HydrophobicContact CZ2-CB 4.4Å; W37-L50 HydrophobicContact CZ2-CD2 3.9Å; M41-L50 HydrophobicContact CE-CB 3.78Å; Y48-L50 HydrophobicContact CE2-CD1 4.04Å; L50-L53 HydrophobicContact CD1-CD1 4.33Å; L50-L53 HydrophobicContact CD1-CD2 3.84Å; L50-L53 HydrophobicContact CD1-CG 4.28Å; L50-N69 WeakPolarHBondContact CD1-ND2 3.35Å; L50-P137 HydrophobicContact CB-CG 4.04Å; L50-P137 HydrophobicContact CD2-CB 4.16Å; L50-P137 HydrophobicContact CD2-CG 4.24Å
51G90.5Very high95.9Very high41 Ų4167.4 Ų67.442%0.42338%0.381SS..  trans-86.7-163.5169.300000112.3L53G51-L53 PolarHBondContact O-N 3.14Å
52D92.1Very high95.7Very high176 Ų17667.6 Ų67.694%0.94138%0.382SS*.  trans-60.8127.2174.4-65.8-34.5000111
53L95.5Very high95.6Very high29 Ų2962.8 Ų62.815%0.15236%0.363CS..  trans-86.5125179.2-66.4174.7000110.6L50 G51 T55 Q67 L68 N69 L138L50-L53 HydrophobicContact CD1-CD1 4.33Å; L50-L53 HydrophobicContact CD1-CD2 3.84Å; L50-L53 HydrophobicContact CD1-CG 4.28Å; G51-L53 PolarHBondContact O-N 3.14Å; L53-T55 PolarHBondContact O-N 3.02Å; L53-T55 PolarHBondContact O-OG1 2.57Å; L53-Q67 HydrophobicContact CB-CB 4.43Å; L53-Q67 HydrophobicContact CB-CG 4.39Å; L53-L68 WeakPolarHBondContact CD2-O 3.41Å; L53-N69 HydrophobicContact CD2-CB 3.92Å; L53-L138 WeakPolarHBondContact CD1-O 3.28Å
54E97Very high95.6Very high105 Ų10557.9 Ų57.949%0.49134%0.344SS..EExtended strand (participates in β ladder)trans-57.9113169.5-66.7-176.8-12000108.7Q67 L68 F324E54-Q67 WeakPolarHBondContact O-CA 3.44Å; E54-L68 HydrophobicContact CB-CB 4.17Å; E54-L68 PolarHBondContact O-N 2.89Å; E54-F324 HydrophobicContact CB-CE1 4.26Å; E54-F324 HydrophobicContact CB-CZ 4.15Å; E54-F324 WeakPolarHBondContact O-CZ 3.38Å
55T97.6Very high95.6Very high53 Ų5355.1 Ų55.133%0.32532%0.316SS..EExtended strand (participates in β ladder)trans-120.5134.4-170.9-55.70000110.3L53 V65 A66 Q67L53-T55 PolarHBondContact O-N 3.02Å; L53-T55 PolarHBondContact O-OG1 2.57Å; T55-V65 HydrophobicContact CG2-CG1 3.85Å; T55-A66 CarbonylContact C-O 3.56Å; T55-A66 WeakPolarHBondContact CA-O 3.37Å; T55-Q67 HydrophobicContact CG2-CG 3.86Å; T55-Q67 WeakPolarHBondContact OG1-CG 3.46Å; T55-Q67 PolarHBondContact OG1-NE2 3.06Å
56R97.2Very high95.6Very high63 Ų6353.5 Ų53.524%0.23831%0.308CS..EExtended strand (participates in β ladder)trans-139.6146.5170.670.6-177-173101.60.7111.3L58 A66 F324 A327R56-L58 HydrophobicContact CG-CD2 4.33Å; R56-L58 VanDerWaalsContact NH2-CD2 3.27Å; R56-A66 HydrophobicContact CG-CB 3.95Å; R56-A66 PolarHBondContact N-O 3.32Å; R56-A66 PolarHBondContact O-N 2.95Å; R56-F324 HydrophobicContact CB-CZ 4.46Å; R56-F324 HydrophobicContact CG-CE2 3.89Å; R56-F324 HydrophobicContact CG-CZ 3.92Å; R56-F324 PolarHBondContact NE-O 3.21Å; R56-F324 PolarHBondContact NH2-O 3.25Å; R56-A327 PolarHBondContact NH2-O 3.48Å
57I97.9Very high95.6Very high86 Ų8652.9 Ų52.944%0.44131%0.305SS..EExtended strand (participates in β ladder)trans-89.2124170.3-52-54.5000107.9Y64 V65I57-Y64 WeakPolarHBondContact CA-O 3.38Å; I57-V65 HydrophobicContact CD1-CB 4.22Å; I57-V65 HydrophobicContact CD1-CG1 4.23Å; I57-V65 HydrophobicContact CD1-CG2 3.75Å
58L97.5Very high95.7Very high2 Ų249.1 Ų49.11%0.0129%0.292CS..PPolyproline II helixtrans-67.9133.7176.9-57.6-168.1000109.5R56 G60 Y64 A66 L316 V332R56-L58 HydrophobicContact CG-CD2 4.33Å; R56-L58 VanDerWaalsContact NH2-CD2 3.27Å; L58-G60 PolarHBondContact O-N 2.98Å; L58-Y64 PolarHBondContact N-O 2.9Å; L58-A66 HydrophobicContact CD2-CB 3.87Å; L58-A66 HydrophobicContact CG-CB 4.23Å; L58-L316 HydrophobicContact CD1-CD1 3.89Å; L58-V332 HydrophobicContact CD1-CG2 3.57Å
59P96.4Very high95.7Very high108 Ų10848.8 Ų48.870%0.70129%0.291SS*.SBendtrans-67.7127175.728-33000109.7
60G94.3Very high95.6Very high54 Ų5445.9 Ų45.956%0.55728%0.282SS*.SBendtrans157.3-173.2-178.700000112.3L58 E329L58-G60 PolarHBondContact O-N 2.98Å; G60-E329 VanDerWaalsContact CA-CD 3.47Å; G60-E329 WeakPolarHBondContact CA-OE1 3.41Å; G60-E329 WeakPolarHBondContact CA-OE2 3.47Å
61S92.3Very high95.4Very high95 Ų9549.4 Ų49.466%0.66430%0.298SS*.SBendtrans-89.3-9.9-17664.50000113.6K205 E329S61-K205 PolarHBondContact O-NZ 2.93Å; S61-E329 PolarHBondContact N-OE1 3.41Å; S61-E329 PolarHBondContact N-OE2 2.96Å
62N93.1Very high95.3Very high16 Ų1648.9 Ų48.99%0.08628%0.283CS..SBendtrans-98.5-19178.9-60.8-72.2000112.9Y64 K205 E329N62-Y64 VanDerWaalsContact C-N 3.3Å; N62-Y64 HydrophobicContact CB-CD2 3.82Å; N62-Y64 HydrophobicContact CB-CE2 3.46Å; N62-Y64 VanDerWaalsContact CB-CE2 3.46Å; N62-Y64 PolarHBondContact O-N 3.14Å; N62-K205 HydrophobicContact CB-CD 4.28Å; N62-K205 PolarHBondContact OD1-NZ 2.87Å; N62-E329 WeakPolarHBondContact CA-OE2 3.5Å; N62-E329 HydrophobicContact CB-CG 4.48Å; N62-E329 WeakPolarHBondContact CB-OE2 3.33Å; N62-E329 PolarHBondContact N-OE1 3.24Å; N62-E329 PolarHBondContact N-OE2 3.36Å; N62-E329 PolarHBondContact ND2-OE1 3.4Å; N62-E329 VanDerWaalsContact ND2-OE1 3.1Å
63G95.1Very high94.9Very high27 Ų2741.7 Ų41.728%0.27825%0.25SS..  trans63.136.217100000113.1V65 E329G63-V65 PolarHBondContact O-N 2.76Å; G63-E329 PolarHBondContact N-OE2 2.97Å
64Y97.9Very high94.4Very high4 Ų446 Ų462%0.01627%0.273CS..  trans-54.1132.8-177.8-73.9-77000112.4I57 L58 N62 A66 F226 G314 L316 E329 V332 I333I57-Y64 WeakPolarHBondContact CA-O 3.38Å; L58-Y64 PolarHBondContact N-O 2.9Å; N62-Y64 VanDerWaalsContact C-N 3.3Å; N62-Y64 HydrophobicContact CB-CD2 3.82Å; N62-Y64 HydrophobicContact CB-CE2 3.46Å; N62-Y64 VanDerWaalsContact CB-CE2 3.46Å; N62-Y64 PolarHBondContact O-N 3.14Å; Y64-A66 PolarHBondContact O-N 3.15Å; Y64-F226 VanDerWaalsContact OH-CD1 3.27Å; Y64-F226 WeakPolarHBondContact OH-CD1 3.15Å; Y64-F226 VanDerWaalsContact OH-CE1 3.3Å; Y64-F226 WeakPolarHBondContact OH-CE1 3.2Å; Y64-G314 WeakPolarHBondContact CA-O 3.41Å; Y64-L316 HydrophobicContact CD1-CD1 3.9Å; Y64-L316 HydrophobicContact CD1-CD2 4.09Å; Y64-L316 HydrophobicContact CD1-CG 4.02Å; Y64-L316 HydrophobicContact CG-CD1 3.9Å; Y64-L316 HydrophobicContact CG-CG 4.47Å; Y64-E329 HydrophobicContact CD2-CB 4.49Å; Y64-E329 HydrophobicContact CD2-CG 3.79Å; Y64-E329 HydrophobicContact CE2-CG 3.83Å; Y64-V332 HydrophobicContact CD1-CG1 3.97Å; Y64-V332 HydrophobicContact CD2-CB 4.46Å; Y64-V332 HydrophobicContact CD2-CG1 4Å; Y64-V332 HydrophobicContact CE1-CG1 3.81Å; Y64-V332 HydrophobicContact CE2-CB 4.39Å; Y64-V332 HydrophobicContact CE2-CG1 3.8Å; Y64-V332 HydrophobicContact CG-CG1 4.09Å; Y64-I333 HydrophobicContact CE2-CG1 4.2Å
65V98.3Very high93.9Very high0 Ų045.1 Ų45.10%027%0.268CS..EExtended strand (participates in β ladder)trans-89.9100.7175.6-175.40000108.2T55 I57 G63 L200 H202 L204 G314 L316T55-V65 HydrophobicContact CG2-CG1 3.85Å; I57-V65 HydrophobicContact CD1-CB 4.22Å; I57-V65 HydrophobicContact CD1-CG1 4.23Å; I57-V65 HydrophobicContact CD1-CG2 3.75Å; G63-V65 PolarHBondContact O-N 2.76Å; V65-L200 HydrophobicContact CG1-CD1 4.41Å; V65-L200 HydrophobicContact CG1-CD2 4.42Å; V65-H202 HydrophobicContact CG1-CB 4.15Å; V65-H202 HydrophobicContact CG2-CB 3.7Å; V65-L204 HydrophobicContact CB-CD2 4.33Å; V65-L204 HydrophobicContact CG2-CD2 3.66Å; V65-G314 PolarHBondContact N-O 3.4Å; V65-L316 PolarHBondContact O-N 2.9Å
66A97.9Very high93.1Very high0 Ų045.1 Ų45.10%026%0.263CS..EExtended strand (participates in β ladder)trans-88.9131175.500000110.7T55 R56 L58 Y64 F318 F324T55-A66 CarbonylContact C-O 3.56Å; T55-A66 WeakPolarHBondContact CA-O 3.37Å; R56-A66 HydrophobicContact CG-CB 3.95Å; R56-A66 PolarHBondContact N-O 3.32Å; R56-A66 PolarHBondContact O-N 2.95Å; L58-A66 HydrophobicContact CD2-CB 3.87Å; L58-A66 HydrophobicContact CG-CB 4.23Å; Y64-A66 PolarHBondContact O-N 3.15Å; A66-F318 HydrophobicContact CB-CD2 3.91Å; A66-F318 HydrophobicContact CB-CE2 3.58Å; A66-F324 HydrophobicContact CB-CD2 4.23Å; A66-F324 HydrophobicContact CB-CE2 4.07Å
67Q97.4Very high92.3Very high5 Ų546.6 Ų46.62%0.02327%0.268CS..EExtended strand (participates in β ladder)trans-130135.2176-75.5-172.7-40.300111.2L53 E54 T55 E139 H315 L316 P317 F318L53-Q67 HydrophobicContact CB-CB 4.43Å; L53-Q67 HydrophobicContact CB-CG 4.39Å; E54-Q67 WeakPolarHBondContact O-CA 3.44Å; T55-Q67 HydrophobicContact CG2-CG 3.86Å; T55-Q67 WeakPolarHBondContact OG1-CG 3.46Å; T55-Q67 PolarHBondContact OG1-NE2 3.06Å; Q67-E139 PolarHBondContact NE2-OE2 2.91Å; Q67-E139 PolarHBondContact OE1-OE2 3.41Å; Q67-H315 PolarHBondContact OE1-CE1 3.49Å; Q67-H315 PolarHBondContact OE1-NE2 2.97Å; Q67-L316 PolarHBondContact N-O 3.22Å; Q67-P317 CarbonylContact O-C 3.51Å; Q67-P317 WeakPolarHBondContact O-CA 3.27Å; Q67-F318 PolarHBondContact O-N 3.29Å
68L96.7Very high91.6Very high16 Ų1650.4 Ų50.48%0.08428%0.281CS..EExtended strand (participates in β ladder)trans-88.8115.9175.4-17860.4000110.7L53 E54 V70 N320 K321 F324L53-L68 WeakPolarHBondContact CD2-O 3.41Å; E54-L68 HydrophobicContact CB-CB 4.17Å; E54-L68 PolarHBondContact O-N 2.89Å; L68-V70 HydrophobicContact CD1-CG2 3.62Å; L68-V70 HydrophobicContact CD2-CG2 4.35Å; L68-V70 HydrophobicContact CG-CG2 3.95Å; L68-N320 VanDerWaalsContact CD1-C 3.45Å; L68-N320 WeakPolarHBondContact CD1-O 3.16Å; L68-K321 HydrophobicContact CD2-CB 4.14Å; L68-K321 HydrophobicContact CD2-CD 4.5Å; L68-K321 HydrophobicContact CD2-CG 4.22Å; L68-F324 HydrophobicContact CB-CB 4.41Å; L68-F324 HydrophobicContact CB-CD1 4.02Å; L68-F324 HydrophobicContact CB-CD2 3.98Å; L68-F324 HydrophobicContact CB-CE1 4.26Å; L68-F324 HydrophobicContact CB-CE2 4.22Å; L68-F324 HydrophobicContact CB-CG 3.86Å; L68-F324 HydrophobicContact CB-CZ 4.35Å; L68-F324 HydrophobicContact CD1-CB 3.92Å; L68-F324 HydrophobicContact CD1-CG 4.29Å; L68-F324 HydrophobicContact CD2-CD1 4.23Å; L68-F324 HydrophobicContact CG-CG 4.47Å
69N95.1Very high91Very high7 Ų752.4 Ų52.44%0.03729%0.294CS..  trans-13480173.8-169.9-18.8000110.2L50 L53 R72 G73 P137 F318L50-N69 WeakPolarHBondContact CD1-ND2 3.35Å; L53-N69 HydrophobicContact CD2-CB 3.92Å; N69-R72 HydrophobicContact CB-CB 4.15Å; N69-R72 VanDerWaalsContact CG-CB 3.42Å; N69-R72 PolarHBondContact O-N 2.86Å; N69-R72 VanDerWaalsContact OD1-CB 3.25Å; N69-R72 WeakPolarHBondContact OD1-CB 3.46Å; N69-R72 PolarHBondContact OD1-N 3.45Å; N69-G73 PolarHBondContact O-N 3.29Å; N69-P137 PolarHBondContact ND2-O 2.79Å; N69-F318 CarbonylContact C-O 3.55Å; N69-F318 PolarHBondContact N-O 2.6Å
70V92.7Very high90.6Very high60 Ų6048.7 Ų48.736%0.36427%0.268SS..Hα-helixtrans-64.1-42.4-177.1-179.80000111.6L68 R72 G73 I74 K319L68-V70 HydrophobicContact CD1-CG2 3.62Å; L68-V70 HydrophobicContact CD2-CG2 4.35Å; L68-V70 HydrophobicContact CG-CG2 3.95Å; V70-R72 VanDerWaalsContact C-N 3.27Å; V70-R72 PolarHBondContact O-N 3.48Å; V70-G73 WeakPolarHBondContact O-CA 3.45Å; V70-G73 PolarHBondContact O-N 3.09Å; V70-I74 HydrophobicContact CG1-CD1 3.85Å; V70-I74 PolarHBondContact O-N 2.94Å; V70-K319 WeakPolarHBondContact CA-O 3.16Å
71Q91.6Very high90.3Very high91 Ų9152.5 Ų52.543%0.42527%0.271SS..Hα-helixtrans-61.6-37-179.3-70.6180-42.100111.5Y48 H49 G73 I74 E75Y48-Q71 HydrophobicContact CD1-CB 4.18Å; Y48-Q71 HydrophobicContact CD2-CB 3.59Å; Y48-Q71 HydrophobicContact CD2-CG 4.48Å; Y48-Q71 HydrophobicContact CE2-CB 4.08Å; Y48-Q71 HydrophobicContact CG-CB 3.64Å; H49-Q71 PolarHBondContact O-OE1 3.17Å; H49-Q71 VanDerWaalsContact O-OE1 3.08Å; Q71-G73 VanDerWaalsContact C-N 3.26Å; Q71-G73 PolarHBondContact O-N 3.45Å; Q71-I74 PolarHBondContact O-N 2.66Å; Q71-I74 VanDerWaalsContact O-N 3.08Å; Q71-E75 VanDerWaalsContact O-CB 3.3Å; Q71-E75 WeakPolarHBondContact O-CB 3.41Å; Q71-E75 WeakPolarHBondContact O-CG 3.47Å; Q71-E75 PolarHBondContact O-N 3.1Å
72R88.3Confident90.1Very high29 Ų2948.5 Ų48.511%0.10924%0.242CC..Hα-helixtrans-61.7-33.6172.9-168.5163.8179.5-89.35.1113.5Y48 N69 V70 I74 R76Y48-R72 HydrophobicContact CE1-CB 4.45Å; Y48-R72 WeakPolarHBondContact OH-CA 3.49Å; Y48-R72 WeakPolarHBondContact OH-CB 3.32Å; Y48-R72 WeakPolarHBondContact OH-CG 3.11Å; N69-R72 HydrophobicContact CB-CB 4.15Å; N69-R72 VanDerWaalsContact CG-CB 3.42Å; N69-R72 PolarHBondContact O-N 2.86Å; N69-R72 VanDerWaalsContact OD1-CB 3.25Å; N69-R72 WeakPolarHBondContact OD1-CB 3.46Å; N69-R72 PolarHBondContact OD1-N 3.45Å; V70-R72 VanDerWaalsContact C-N 3.27Å; V70-R72 PolarHBondContact O-N 3.48Å; R72-I74 VanDerWaalsContact C-N 3.27Å; R72-R76 WeakPolarHBondContact O-CB 3.4Å
73G83.8Confident89.9Confident25 Ų2553.5 Ų53.526%0.25827%0.268SS..Hα-helixtrans-65.7-31.317500000113.1N69 V70 Q71N69-G73 PolarHBondContact O-N 3.29Å; V70-G73 WeakPolarHBondContact O-CA 3.45Å; V70-G73 PolarHBondContact O-N 3.09Å; Q71-G73 VanDerWaalsContact C-N 3.26Å; Q71-G73 PolarHBondContact O-N 3.45Å
74I84.4Confident89.7Confident120 Ų12054.1 Ų54.162%0.61527%0.268SS*.Hα-helixtrans-95.7-46.7-173.1-60.6169000111.7V70 Q71 R72V70-I74 HydrophobicContact CG1-CD1 3.85Å; V70-I74 PolarHBondContact O-N 2.94Å; Q71-I74 PolarHBondContact O-N 2.66Å; Q71-I74 VanDerWaalsContact O-N 3.08Å; R72-I74 VanDerWaalsContact C-N 3.27Å
75E86.7Confident89.4Confident86 Ų8654 Ų5440%0.40227%0.268SS..Hα-helixtrans-89.8-10.3-167.9-62.9-61.1158.100113.5R47 Y48 Q71 R77R47-E75 HydrophobicContact CB-CB 4.19Å; R47-E75 WeakPolarHBondContact CD-O 3.48Å; R47-E75 PolarHBondContact NH1-O 3.24Å; Y48-E75 HydrophobicContact CD1-CB 3.63Å; Y48-E75 HydrophobicContact CD1-CG 3.98Å; Y48-E75 HydrophobicContact CE1-CB 4.12Å; Q71-E75 VanDerWaalsContact O-CB 3.3Å; Q71-E75 WeakPolarHBondContact O-CB 3.41Å; Q71-E75 WeakPolarHBondContact O-CG 3.47Å; Q71-E75 PolarHBondContact O-N 3.1Å; E75-R77 PolarHBondContact O-N 2.82Å
76R81Confident89.2Confident54 Ų5458.9 Ų58.920%0.20429%0.291CS..SBendtrans-63.4139.9-179.8179178.1175.8174.21.1110.1R72 K78 S189R72-R76 WeakPolarHBondContact O-CB 3.4Å; R76-K78 PolarHBondContact O-N 3.18Å; R76-S189 PolarHBondContact NH2-OG 2.8Å
77R80.2Confident89.1Confident94 Ų9460.6 Ų60.636%0.35530%0.298SS..PPolyproline II helixtrans-61.2139.5175.9-169.3-174.1-80.8136.8-3.4110R47 E75 P79 F94R47-R77 VanDerWaalsContact NH1-CA 3.29Å; E75-R77 PolarHBondContact O-N 2.82Å; R77-P79 WeakPolarHBondContact O-CD 3.32Å; R77-F94 VanDerWaalsContact NH1-CG 3.27Å; R77-F94 VanDerWaalsContact NH2-CD2 3.32Å
78K83.1Confident89Confident166 Ų16668.2 Ų68.272%0.72233%0.334SS*.PPolyproline II helixtrans-53.3125.3165.2-170.1175.6179.9179.80110R76R76-K78 PolarHBondContact O-N 3.18Å
79P85.3Confident89Confident43 Ų4369.2 Ų69.228%0.27934%0.338SS..PPolyproline II helixtrans-57.2153.4175.8-25.935.4000112.3R77R77-P79 WeakPolarHBondContact O-CD 3.32Å
80Q88.2Confident89.1Confident30 Ų3071.8 Ų71.814%0.1435%0.352CS..PPolyproline II helixtrans-61.9153.8167.6-69.7175.81.300110.8I82 F94 S189Q80-I82 PolarHBondContact O-N 2.76Å; Q80-F94 PolarHBondContact NE2-O 2.69Å; Q80-S189 PolarHBondContact N-O 2.87Å; Q80-S189 VanDerWaalsContact N-O 3.07Å
81E87.6Confident89.2Confident135 Ų13573.1 Ų73.163%0.63136%0.361SS*.PPolyproline II helixtrans-70.7117.5168.6-172.6170.5-159.700109L83 Q87E81-L83 HydrophobicContact CG-CD2 4.02Å; E81-L83 HydrophobicContact CG-CG 4.37Å; E81-Q87 PolarHBondContact O-NE2 3.44Å; E81-Q87 PolarHBondContact O-OE1 3.02Å
82I88Confident89.4Confident10 Ų1073 Ų735%0.05137%0.371CS..  trans-114119.1-179.5-61.9167.7000107.6Q80 L184 A188 F297Q80-I82 PolarHBondContact O-N 2.76Å; I82-L184 HydrophobicContact CD1-CD2 3.68Å; I82-L184 HydrophobicContact CG1-CD2 4.07Å; I82-L184 HydrophobicContact CG2-CB 3.76Å; I82-L184 HydrophobicContact CG2-CD1 4.38Å; I82-L184 HydrophobicContact CG2-CD2 4.4Å; I82-L184 HydrophobicContact CG2-CG 4.39Å; I82-A188 WeakPolarHBondContact CD1-O 3.4Å; I82-F297 HydrophobicContact CG2-CD1 4.09Å; I82-F297 HydrophobicContact CG2-CE1 4.31Å
83L87.8Confident89.7Confident121 Ų12174.5 Ų74.563%0.63438%0.379SS*.  trans-107.9-22.9-177.9-58.4178.1000112.5E81E81-L83 HydrophobicContact CG-CD2 4.02Å; E81-L83 HydrophobicContact CG-CG 4.37Å
84S91Very high90.2Very high40 Ų4075.7 Ų75.728%0.2838%0.377SS..  trans-151156.5-177.7177.50000110.3Q86 Q87S84-Q86 VanDerWaalsContact C-N 3.31Å; S84-Q86 PolarHBondContact OG-N 3.03Å; S84-Q87 WeakPolarHBondContact O-CB 3.34Å; S84-Q87 PolarHBondContact O-N 3.01Å
85I92.4Very high90.8Very high1 Ų170.2 Ų70.21%0.00535%0.349CS..THydrogen-bonded Turntrans-69.7-35173.1-57.5-178.8000110.7Q87 V254 N257 I258 A259 F297I85-Q87 VanDerWaalsContact C-N 3.25Å; I85-Q87 PolarHBondContact O-N 3.14Å; I85-V254 HydrophobicContact CG2-CG2 4.3Å; I85-N257 VanDerWaalsContact CD1-O 3.3Å; I85-N257 WeakPolarHBondContact CD1-O 3.3Å; I85-N257 WeakPolarHBondContact CG1-OD1 3.45Å; I85-I258 WeakPolarHBondContact CD1-O 3.44Å; I85-A259 HydrophobicContact CD1-CB 3.97Å; I85-F297 HydrophobicContact CG1-CE1 4.36Å; I85-F297 HydrophobicContact CG1-CZ 4.24Å
86Q95Very high91.3Very high104 Ų10466.9 Ų66.949%0.48633%0.333SS..THydrogen-bonded Turntrans-91.223.4177.7-63.2179.739.100112.3S84 E88 V254S84-Q86 VanDerWaalsContact C-N 3.31Å; S84-Q86 PolarHBondContact OG-N 3.03Å; Q86-E88 PolarHBondContact O-N 3.04Å; Q86-V254 HydrophobicContact CG-CG1 3.56Å; Q86-V254 PolarHBondContact NE2-O 2.58Å
87Q94.4Very high92Very high35 Ų3568.1 Ų68.116%0.16434%0.344CS..PPolyproline II helixtrans-60.5129.7178.5179.2171.1-49.100110.2E81 S84 I85 L184 N191E81-Q87 PolarHBondContact O-NE2 3.44Å; E81-Q87 PolarHBondContact O-OE1 3.02Å; S84-Q87 WeakPolarHBondContact O-CB 3.34Å; S84-Q87 PolarHBondContact O-N 3.01Å; I85-Q87 VanDerWaalsContact C-N 3.25Å; I85-Q87 PolarHBondContact O-N 3.14Å; Q87-L184 HydrophobicContact CB-CD1 3.74Å; Q87-N191 PolarHBondContact O-ND2 3.43Å
88E96.2Very high92.8Very high166 Ų16668.6 Ų68.678%0.77635%0.349SS*.PPolyproline II helixtrans-64.9148.1-179.8-64.2-177.1168.300111.9Q86 N90 N191Q86-E88 PolarHBondContact O-N 3.04Å; E88-N90 PolarHBondContact O-N 3.1Å; E88-N191 VanDerWaalsContact C-ND2 3.26Å; E88-N191 PolarHBondContact O-ND2 2.93Å
89F96.4Very high93.4Very high37 Ų3762.2 Ų62.216%0.16232%0.322CS..PPolyproline II helixtrans-59.9134.6171.4174.3-88.4000110.1P91 N95 C152 N191 H192F89-P91 HydrophobicContact CE1-CB 3.84Å; F89-P91 HydrophobicContact CE1-CG 4.45Å; F89-N95 HydrophobicContact CE2-CB 3.75Å; F89-N95 HydrophobicContact CZ-CB 3.84Å; F89-C152 VanDerWaalsContact CB-O 3.31Å; F89-C152 WeakPolarHBondContact CB-O 3.27Å; F89-C152 HydrophobicContact CD1-CB 3.66Å; F89-C152 HydrophobicContact CD2-CB 4.18Å; F89-C152 WeakPolarHBondContact CD2-O 3.38Å; F89-C152 HydrophobicContact CE1-CB 3.47Å; F89-C152 VanDerWaalsContact CE1-CB 3.47Å; F89-C152 HydrophobicContact CE2-CB 4.01Å; F89-C152 HydrophobicContact CG-CB 4.01Å; F89-C152 WeakPolarHBondContact CG-O 3.37Å; F89-C152 HydrophobicContact CZ-CB 3.66Å; F89-N191 VanDerWaalsContact CD2-O 3.22Å; F89-N191 WeakPolarHBondContact CD2-O 3.29Å; F89-H192 HydrophobicContact CD2-CB 4.3Å; F89-H192 HydrophobicContact CE2-CB 3.98Å; F89-H192 AromaticContact CE2-CG 3.85Å; F89-H192 AromaticContact CE2-ND1 3.97Å
90N96.2Very high94Very high61 Ų6163.5 Ų63.533%0.32633%0.327SS..  trans-118.8109.7177.8-173.6-19.7000111E88 S92 Q93E88-N90 PolarHBondContact O-N 3.1Å; N90-S92 VanDerWaalsContact CG-OG 3.28Å; N90-S92 PolarHBondContact ND2-OG 2.89Å; N90-S92 PolarHBondContact O-N 2.84Å; N90-S92 VanDerWaalsContact O-N 3.16Å; N90-S92 WeakPolarHBondContact OD1-CB 3.32Å; N90-S92 PolarHBondContact OD1-N 2.92Å; N90-S92 PolarHBondContact OD1-OG 2.84Å; N90-Q93 HydrophobicContact CB-CB 4.43Å; N90-Q93 HydrophobicContact CB-CG 4.21Å; N90-Q93 PolarHBondContact O-N 3.17Å
91P95.8Very high94.3Very high87 Ų8765.4 Ų65.457%0.56535%0.347SS*.THydrogen-bonded Turntrans-65.4-20-178.925.5-33.4000113.3F89 N95 K98F89-P91 HydrophobicContact CE1-CB 3.84Å; F89-P91 HydrophobicContact CE1-CG 4.45Å; P91-N95 PolarHBondContact O-ND2 3.1Å; P91-K98 VanDerWaalsContact O-CE 3.29Å; P91-K98 WeakPolarHBondContact O-CE 3.36Å; P91-K98 PolarHBondContact O-NZ 3.05Å
92S95.3Very high94.8Very high90 Ų9063.1 Ų63.163%0.62934%0.337SS*.THydrogen-bonded Turntrans-74.6-31.4177.772.50000112.5N90 K98N90-S92 VanDerWaalsContact CG-OG 3.28Å; N90-S92 PolarHBondContact ND2-OG 2.89Å; N90-S92 PolarHBondContact O-N 2.84Å; N90-S92 VanDerWaalsContact O-N 3.16Å; N90-S92 WeakPolarHBondContact OD1-CB 3.32Å; N90-S92 PolarHBondContact OD1-N 2.92Å; N90-S92 PolarHBondContact OD1-OG 2.84Å; S92-K98 PolarHBondContact O-NZ 3.21Å
93Q93.9Very high95.3Very high59 Ų5964.2 Ų64.228%0.27634%0.342SS..SBendtrans-74.7169.8175.4-67-172.8-20.200111.5N90 N95 K98N90-Q93 HydrophobicContact CB-CB 4.43Å; N90-Q93 HydrophobicContact CB-CG 4.21Å; N90-Q93 PolarHBondContact O-N 3.17Å; Q93-N95 PolarHBondContact O-N 2.8Å; Q93-N95 PolarHBondContact O-ND2 3.47Å; Q93-K98 PolarHBondContact O-NZ 3.22Å
94F94.8Very high95.8Very high50 Ų5059.5 Ų59.522%0.21932%0.317CS..  trans-58.5137.6174.3176-90.8000110.6R77 Q80 F96 I99 V190R77-F94 VanDerWaalsContact NH1-CG 3.27Å; R77-F94 VanDerWaalsContact NH2-CD2 3.32Å; Q80-F94 PolarHBondContact NE2-O 2.69Å; F94-F96 HydrophobicContact CE1-CD1 4.3Å; F94-F96 HydrophobicContact CE1-CE1 4.24Å; F94-I99 HydrophobicContact CE2-CG2 4.45Å; F94-I99 HydrophobicContact CZ-CG2 3.94Å; F94-V190 HydrophobicContact CD1-CG1 4.08Å; F94-V190 HydrophobicContact CD1-CG2 3.9Å; F94-V190 HydrophobicContact CE1-CG1 4.41Å; F94-V190 HydrophobicContact CE1-CG2 4.15Å
95N96.6Very high96.1Very high6 Ų658 Ų583%0.03231%0.306CS..  trans-153164.417365.571.6000109F89 P91 Q93 N97 K98 H192F89-N95 HydrophobicContact CE2-CB 3.75Å; F89-N95 HydrophobicContact CZ-CB 3.84Å; P91-N95 PolarHBondContact O-ND2 3.1Å; Q93-N95 PolarHBondContact O-N 2.8Å; Q93-N95 PolarHBondContact O-ND2 3.47Å; N95-N97 PolarHBondContact O-N 3.46Å; N95-N97 VanDerWaalsContact O-N 3.08Å; N95-N97 VanDerWaalsContact OD1-CB 3.23Å; N95-N97 WeakPolarHBondContact OD1-CB 3.23Å; N95-N97 PolarHBondContact OD1-N 3.02Å; N95-N97 PolarHBondContact OD1-ND2 2.74Å; N95-K98 WeakPolarHBondContact ND2-CE 3.1Å; N95-K98 WeakPolarHBondContact O-CB 3.22Å; N95-K98 PolarHBondContact O-N 2.9Å; N95-H192 HydrophobicContact CB-CB 4.3Å
96F97.3Very high96.4Very high15 Ų1558 Ų587%0.06631%0.306CS..G310 helixtrans-66-8.1-175.2-58.8-64.8000115.8F94 K98 I99 L132 L144 V146 V190 H192 H194F94-F96 HydrophobicContact CE1-CD1 4.3Å; F94-F96 HydrophobicContact CE1-CE1 4.24Å; F96-K98 PolarHBondContact O-N 3.35Å; F96-I99 HydrophobicContact CD1-CG2 4.24Å; F96-I99 WeakPolarHBondContact O-CD1 3.45Å; F96-I99 WeakPolarHBondContact O-CG1 3.47Å; F96-L132 HydrophobicContact CB-CD2 4.44Å; F96-L132 HydrophobicContact CD1-CD2 4.2Å; F96-L132 HydrophobicContact CG-CD2 4.49Å; F96-L144 HydrophobicContact CD1-CD1 4.38Å; F96-L144 HydrophobicContact CE1-CD1 3.37Å; F96-L144 HydrophobicContact CZ-CD1 3.54Å; F96-V146 HydrophobicContact CB-CG1 4.16Å; F96-V146 HydrophobicContact CB-CG2 4.25Å; F96-V146 HydrophobicContact CD1-CG2 4.39Å; F96-V146 HydrophobicContact CD2-CB 4.48Å; F96-V146 HydrophobicContact CD2-CG1 3.84Å; F96-V146 HydrophobicContact CD2-CG2 3.71Å; F96-V146 HydrophobicContact CE2-CG2 4.16Å; F96-V146 HydrophobicContact CG-CG1 4.29Å; F96-V146 HydrophobicContact CG-CG2 3.85Å; F96-V190 HydrophobicContact CE2-CG1 4.16Å; F96-V190 HydrophobicContact CZ-CB 4.41Å; F96-V190 HydrophobicContact CZ-CG1 4.29Å; F96-H192 HydrophobicContact CD2-CB 3.92Å; F96-H192 AromaticContact CD2-CG 3.78Å; F96-H192 AromaticContact CD2-ND1 3.7Å; F96-H192 HydrophobicContact CE2-CB 4.16Å; F96-H192 PolarHBondContact N-ND1 3.41Å; F96-H194 HydrophobicContact CD2-CB 4.47Å; F96-H194 HydrophobicContact CE2-CB 3.65Å; F96-H194 AromaticContact CE2-CG 3.56Å; F96-H194 AromaticContact CE2-ND1 3.52Å; F96-H194 HydrophobicContact CZ-CB 4.11Å; F96-H194 AromaticContact CZ-CG 3.75Å; F96-H194 AromaticContact CZ-ND1 3.89Å
97N96.9Very high96.5Very high80 Ų8054 Ų5443%0.42829%0.287SS..G310 helixtrans-77.5-3.7168.9-59-54000113N95 P149N95-N97 PolarHBondContact O-N 3.46Å; N95-N97 VanDerWaalsContact O-N 3.08Å; N95-N97 VanDerWaalsContact OD1-CB 3.23Å; N95-N97 WeakPolarHBondContact OD1-CB 3.23Å; N95-N97 PolarHBondContact OD1-N 3.02Å; N95-N97 PolarHBondContact OD1-ND2 2.74Å; N97-P149 PolarHBondContact ND2-O 2.88Å; N97-P149 WeakPolarHBondContact OD1-CB 3.34Å; N97-P149 PolarHBondContact OD1-O 2.71Å
98K96.5Very high96.5Very high104 Ų10452.5 Ų52.545%0.45228%0.28SS..G310 helixtrans-11010.9-177.8-59.2-179.7176.3173.70113.7P91 S92 Q93 N95 F96P91-K98 VanDerWaalsContact O-CE 3.29Å; P91-K98 WeakPolarHBondContact O-CE 3.36Å; P91-K98 PolarHBondContact O-NZ 3.05Å; S92-K98 PolarHBondContact O-NZ 3.21Å; Q93-K98 PolarHBondContact O-NZ 3.22Å; N95-K98 WeakPolarHBondContact ND2-CE 3.1Å; N95-K98 WeakPolarHBondContact O-CB 3.22Å; N95-K98 PolarHBondContact O-N 2.9Å; F96-K98 PolarHBondContact O-N 3.35Å
99I96.4Very high96.4Very high33 Ų3346.9 Ų46.917%0.16925%0.254CS..SBendtrans-77.5164.8179.365.4-176.5000111.6F94 F96 I104 L132F94-I99 HydrophobicContact CE2-CG2 4.45Å; F94-I99 HydrophobicContact CZ-CG2 3.94Å; F96-I99 HydrophobicContact CD1-CG2 4.24Å; F96-I99 WeakPolarHBondContact O-CD1 3.45Å; F96-I99 WeakPolarHBondContact O-CG1 3.47Å; I99-I104 HydrophobicContact CD1-CD1 4.41Å; I99-I104 HydrophobicContact CD1-CG1 3.96Å; I99-L132 HydrophobicContact CD1-CD2 3.58Å
100N96.4Very high96.1Very high70 Ų7048.1 Ų48.137%0.37426%0.26SS..  trans-68.3131162.4-179.9-3.1000108.9E102 E103N100-E102 PolarHBondContact ND2-OE2 3.46Å; N100-E102 PolarHBondContact O-N 3.18Å; N100-E102 VanDerWaalsContact O-N 3.1Å; N100-E102 WeakPolarHBondContact OD1-CG 3.13Å; N100-E102 PolarHBondContact OD1-N 2.95Å; N100-E103 HydrophobicContact CB-CG 4.09Å; N100-E103 WeakPolarHBondContact CB-OE1 3.4Å; N100-E103 PolarHBondContact N-OE1 3.49Å; N100-E103 VanDerWaalsContact O-CB 3.24Å; N100-E103 WeakPolarHBondContact O-CB 3.39Å; N100-E103 WeakPolarHBondContact O-CG 3.37Å; N100-E103 PolarHBondContact O-N 3.21Å
101A96.1Very high95.6Very high69 Ų6948.7 Ų48.757%0.5726%0.263SS*.G310 helixtrans-58.1-23.8177.700000113.2E103 I104A101-E103 PolarHBondContact O-N 3.35Å; A101-I104 WeakPolarHBondContact O-CB 3.28Å; A101-I104 PolarHBondContact O-N 3.41Å
102E97.4Very high94.4Very high88 Ų8847.6 Ų47.641%0.41126%0.255SS..G310 helixtrans-71.9-15.6176-57.1-173.9116.600113.7R40 R43 L45 N100 I104R40-E102 PolarHBondContact NE-O 3.19Å; R43-E102 IonicContact CZ-OE1 2.9Å; R43-E102 IonicContact NH2-OE1 3.02Å; R43-E102 PolarHBondContact NH2-OE1 2.76Å; R43-E102 IonicContact NH2-OE2 3.28Å; L45-E102 HydrophobicContact CD1-CB 3.91Å; L45-E102 HydrophobicContact CD2-CB 4.46Å; N100-E102 PolarHBondContact ND2-OE2 3.46Å; N100-E102 PolarHBondContact O-N 3.18Å; N100-E102 VanDerWaalsContact O-N 3.1Å; N100-E102 WeakPolarHBondContact OD1-CG 3.13Å; N100-E102 PolarHBondContact OD1-N 2.95Å; E102-I104 PolarHBondContact O-N 3.17Å
103E98Very high92Very high33 Ų3348.7 Ų48.715%0.15426%0.261CS..G310 helixtrans-70.8-17.5172.3-63.5169.8-138.500111.9N100 A101 L132 I133 V135N100-E103 HydrophobicContact CB-CG 4.09Å; N100-E103 WeakPolarHBondContact CB-OE1 3.4Å; N100-E103 PolarHBondContact N-OE1 3.49Å; N100-E103 VanDerWaalsContact O-CB 3.24Å; N100-E103 WeakPolarHBondContact O-CB 3.39Å; N100-E103 WeakPolarHBondContact O-CG 3.37Å; N100-E103 PolarHBondContact O-N 3.21Å; A101-E103 PolarHBondContact O-N 3.35Å; E103-L132 CarbonylContact O-C 3.53Å; E103-L132 VanDerWaalsContact O-CA 3.31Å; E103-L132 WeakPolarHBondContact O-CA 3.05Å; E103-L132 WeakPolarHBondContact O-CB 3.44Å; E103-I133 HydrophobicContact CB-CD1 4.46Å; E103-I133 HydrophobicContact CB-CG1 3.9Å; E103-I133 HydrophobicContact CG-CD1 4.35Å; E103-I133 HydrophobicContact CG-CG1 4.25Å; E103-I133 PolarHBondContact O-N 3.28Å; E103-V135 HydrophobicContact CG-CG1 4.04Å; E103-V135 WeakPolarHBondContact OE2-CG1 3.04Å
104I98.3Very high89.6Confident22 Ų2249.5 Ų49.511%0.11329%0.285CS..EExtended strand (participates in β ladder)trans-76.5130.5180-54.8173.3000109.8L2 R40 I99 A101 E102 V130L2-I104 HydrophobicContact CD1-CD1 4.04Å; L2-I104 HydrophobicContact CD1-CG2 3.99Å; L2-I104 HydrophobicContact CD2-CB 3.96Å; L2-I104 HydrophobicContact CD2-CD1 4.29Å; L2-I104 HydrophobicContact CD2-CG2 3.7Å; L2-I104 HydrophobicContact CG-CG2 4.41Å; R40-I104 PolarHBondContact NH2-O 2.91Å; I99-I104 HydrophobicContact CD1-CD1 4.41Å; I99-I104 HydrophobicContact CD1-CG1 3.96Å; A101-I104 WeakPolarHBondContact O-CB 3.28Å; A101-I104 PolarHBondContact O-N 3.41Å; E102-I104 PolarHBondContact O-N 3.17Å; I104-V130 HydrophobicContact CD1-CG1 4.35Å; I104-V130 HydrophobicContact CG1-CG1 4.34Å; I104-V130 HydrophobicContact CG2-CG1 3.84Å
105L98.1Very high87.2Confident8 Ų850.1 Ų50.14%0.04231%0.306CS..EExtended strand (participates in β ladder)trans-86.4-58.1175.8-60.3-175.5000110.3R40 V131 I133 C143R40-L105 HydrophobicContact CG-CD2 4.45Å; L105-V131 WeakPolarHBondContact CB-O 3.3Å; L105-V131 HydrophobicContact CD1-CG1 4.25Å; L105-V131 PolarHBondContact N-O 3.32Å; L105-I133 HydrophobicContact CD1-CG2 4.28Å; L105-I133 HydrophobicContact CD2-CG2 3.64Å; L105-I133 HydrophobicContact CG-CG2 4.08Å; L105-C143 HydrophobicContact CD1-CB 4.3Å
106F98.1Very high84.4Confident2 Ų260.6 Ų60.61%0.00935%0.345CS..EExtended strand (participates in β ladder)trans-167170.9-178.156.1-89.1000110.9P3 F5 L29 L32 I33 M108 V131P3-F106 HydrophobicContact CB-CB 4.07Å; P3-F106 CarbonylContact O-C 3.56Å; P3-F106 VanDerWaalsContact O-CA 3.31Å; P3-F106 WeakPolarHBondContact O-CA 3.35Å; P3-F106 VanDerWaalsContact O-CB 3.3Å; P3-F106 WeakPolarHBondContact O-CB 3.41Å; F5-F106 HydrophobicContact CB-CD2 3.8Å; F5-F106 HydrophobicContact CB-CE2 4.1Å; F5-F106 HydrophobicContact CD1-CE2 4.08Å; L29-F106 HydrophobicContact CD1-CE2 4.18Å; L29-F106 HydrophobicContact CD1-CZ 3.79Å; L32-F106 HydrophobicContact CB-CD1 3.87Å; L32-F106 HydrophobicContact CB-CE1 3.61Å; L32-F106 HydrophobicContact CB-CZ 4.18Å; L32-F106 HydrophobicContact CD1-CD1 4.5Å; I33-F106 HydrophobicContact CG1-CE1 3.86Å; I33-F106 HydrophobicContact CG1-CZ 3.89Å; F106-M108 HydrophobicContact CD2-CB 4.32Å; F106-M108 HydrophobicContact CE2-CB 4.08Å; F106-V131 HydrophobicContact CD2-CB 4.29Å; F106-V131 HydrophobicContact CD2-CG2 4.14Å; F106-V131 HydrophobicContact CE1-CB 4.21Å; F106-V131 HydrophobicContact CE1-CG1 4.13Å; F106-V131 HydrophobicContact CE2-CB 4Å; F106-V131 HydrophobicContact CE2-CG2 3.61Å; F106-V131 HydrophobicContact CZ-CB 3.94Å; F106-V131 HydrophobicContact CZ-CG1 3.97Å; F106-V131 HydrophobicContact CZ-CG2 3.88Å; F106-V131 PolarHBondContact N-O 3.42Å; F106-V131 PolarHBondContact O-N 2.88Å
107E96.9Very high81.8Confident20 Ų2068.4 Ų68.49%0.09339%0.387CS..EExtended strand (participates in β ladder)trans-102.1137.2168-58.7-177.8149.500109.8L2 P3 Q4 F5 R128 M129L2-E107 HydrophobicContact CB-CG 4.06Å; L2-E107 HydrophobicContact CD1-CG 4Å; P3-E107 PolarHBondContact O-N 3.32Å; Q4-E107 CarbonylContact C-O 3.56Å; Q4-E107 WeakPolarHBondContact CA-O 3.22Å; Q4-E107 HydrophobicContact CG-CB 4.45Å; Q4-E107 PolarHBondContact NE2-OE2 3.13Å; F5-E107 PolarHBondContact N-O 2.98Å; E107-R128 IonicContact OE1-CZ 3.67Å; E107-R128 IonicContact OE1-NE 3.85Å; E107-R128 PolarHBondContact OE1-NE 2.99Å; E107-R128 IonicContact OE1-NH2 2.82Å; E107-R128 PolarHBondContact OE1-NH2 3.33Å; E107-R128 IonicContact OE2-NE 2.71Å; E107-M129 CarbonylContact C-O 3.58Å; E107-M129 WeakPolarHBondContact CA-O 3.19Å
108M95.1Very high79.4Confident2 Ų267.1 Ų67.11%0.0138%0.382CS..EExtended strand (participates in β ladder)trans-115.2132.4-179.5-177169.875.300109.9F5 Y7 L29 F106 M129 V131 L145 V164 S168 L171F5-M108 HydrophobicContact CD1-CB 4.39Å; F5-M108 HydrophobicContact CD1-CG 3.77Å; F5-M108 HydrophobicContact CD1-SD 3.88Å; F5-M108 HydrophobicContact CE1-CG 4.34Å; F5-M108 HydrophobicContact CE1-SD 4.03Å; F5-M108 WeakPolarHBondContact O-CA 3.32Å; Y7-M108 HydrophobicContact CD1-CG 3.72Å; Y7-M108 HydrophobicContact CD1-SD 4.35Å; Y7-M108 HydrophobicContact CE1-CG 3.42Å; Y7-M108 VanDerWaalsContact CE1-CG 3.42Å; Y7-M108 HydrophobicContact CE1-SD 4.03Å; L29-M108 HydrophobicContact CD1-SD 4.17Å; F106-M108 HydrophobicContact CD2-CB 4.32Å; F106-M108 HydrophobicContact CE2-CB 4.08Å; M108-M129 HydrophobicContact CB-CB 4.09Å; M108-M129 HydrophobicContact CB-CG 4.1Å; M108-M129 HydrophobicContact CE-CB 4.26Å; M108-M129 HydrophobicContact CE-CG 3.7Å; M108-M129 PolarHBondContact N-O 2.87Å; M108-M129 WeakPolarHBondContact O-CB 3.5Å; M108-M129 PolarHBondContact O-N 3.08Å; M108-V131 HydrophobicContact CB-CG2 4.3Å; M108-L145 HydrophobicContact CE-CD2 4.18Å; M108-V164 HydrophobicContact CE-CG1 3.2Å; M108-S168 VanDerWaalsContact CE-OG 3.28Å; M108-S168 WeakPolarHBondContact CE-OG 3.09Å; M108-L171 HydrophobicContact SD-CD1 4.34Å
109M93.6Very high76.7Confident48 Ų4866 Ų6624%0.23639%0.386CS..EExtended strand (participates in β ladder)trans-144.1135-177.4-66.8177.7-73.400110.4Q4 F5 V6 Y7Q4-M109 HydrophobicContact CB-CE 4.15Å; Q4-M109 VanDerWaalsContact CD-CE 3.49Å; Q4-M109 HydrophobicContact CG-CE 3.95Å; F5-M109 PolarHBondContact O-N 2.85Å; V6-M109 VanDerWaalsContact CA-O 3.29Å; V6-M109 WeakPolarHBondContact CA-O 3.41Å; V6-M109 HydrophobicContact CG2-CE 4.27Å; Y7-M109 WeakPolarHBondContact CD1-O 3.47Å; Y7-M109 VanDerWaalsContact CE1-C 3.41Å; Y7-M109 WeakPolarHBondContact CE1-O 3.49Å; Y7-M109 PolarHBondContact N-O 2.82Å
110K90.5Very high74.2Confident63 Ų6371.3 Ų71.327%0.27442%0.415SS..EExtended strand (participates in β ladder)trans-78.2128.8172.3-169.3173.4-175.9172.10109.6Y7 T112 E167Y7-K110 HydrophobicContact CD2-CG 4.49Å; Y7-K110 HydrophobicContact CE1-CB 4.16Å; Y7-K110 HydrophobicContact CE2-CB 4.04Å; Y7-K110 HydrophobicContact CE2-CD 4.36Å; Y7-K110 HydrophobicContact CE2-CG 3.99Å; Y7-K110 CarbonylContact O-C 3.55Å; Y7-K110 WeakPolarHBondContact O-CA 3.39Å; K110-T112 PolarHBondContact O-N 3.04Å; K110-E167 WeakPolarHBondContact CD-OE1 3.25Å; K110-E167 WeakPolarHBondContact CE-OE1 3.46Å; K110-E167 IonicContact NZ-OE1 2.93Å; K110-E167 PolarHBondContact NZ-OE1 2.68Å
111D86.1Confident71.8Confident73 Ų7375.5 Ų75.539%0.3944%0.437SS..  trans-70113.8171.5-169.1-0.5000109.6V6 Y7 C113V6-D111 HydrophobicContact CG1-CB 3.7Å; Y7-D111 PolarHBondContact O-N 3.32Å; D111-C113 WeakPolarHBondContact OD1-CB 3.45Å; D111-C113 PolarHBondContact OD1-N 3.21Å; D111-C113 PolarHBondContact OD1-SG 3.3Å; D111-C113 VanDerWaalsContact OD1-SG 3.32Å
112T69.3Low69.2Low65 Ų6579.2 Ų79.240%0.39944%0.442SS..  trans-98.55.3175.556.50000112.5K110 G114 T126K110-T112 PolarHBondContact O-N 3.04Å; T112-G114 PolarHBondContact O-N 3.08Å; T112-T126 HydrophobicContact CG2-CG2 3.69Å
113C46.7Very low66.7Low112 Ų11278.6 Ų78.676%0.75744%0.441SS*.  trans-72.29.9-173.6-65.10000115.2D111 G115D111-C113 WeakPolarHBondContact OD1-CB 3.45Å; D111-C113 PolarHBondContact OD1-N 3.21Å; D111-C113 PolarHBondContact OD1-SG 3.3Å; D111-C113 VanDerWaalsContact OD1-SG 3.32Å; C113-G115 PolarHBondContact O-N 2.81Å
114G42.9Very low64.3Low77 Ų7780.4 Ų80.479%0.79446%0.456SS*.SBendtrans-8567.7169.600000113.5T112T112-G114 PolarHBondContact O-N 3.08Å
115G43.3Very low62.1Low63 Ų6388.1 Ų88.165%0.64949%0.492SS*.  trans36102.4157.100000119.7C113C113-G115 PolarHBondContact O-N 2.81Å
116R39.5Very low60.4Low226 Ų22692.4 Ų92.485%0.85352%0.518SS*.  trans-159.3131.8135.8-104.8175-108.5-163.8-1.2107.4V118R116-V118 HydrophobicContact CB-CG2 3.88Å; R116-V118 PolarHBondContact O-N 2.97Å
117D41.9Very low59.4Low178 Ų17893.6 Ų93.695%0.95253%0.527SS*.  trans-62.682.7167-67.3-54.3000108.4
118V45.7Very low59.2Low53 Ų5396.4 Ų96.432%0.32154%0.537SS..  trans-96.9130172.2-173.40000106.4R116 Q122 L123R116-V118 HydrophobicContact CB-CG2 3.88Å; R116-V118 PolarHBondContact O-N 2.97Å; V118-Q122 HydrophobicContact CG1-CB 3.5Å; V118-L123 HydrophobicContact CB-CG 4.27Å; V118-L123 WeakPolarHBondContact O-CD1 3.45Å
119P41.1Very low59.2Low82 Ų8296.3 Ų96.353%0.53254%0.536SS..  trans-51142.4172.4-23.332.1000110.5D121 Q122P119-D121 PolarHBondContact O-N 3.32Å; P119-Q122 PolarHBondContact O-N 3.33Å
120D43.7Very low59.4Low144 Ų14494.2 Ų94.277%0.7753%0.526SS*.G310 helixtrans-48.8-31.1-175.2-150.818.9000112.9Q122D120-Q122 VanDerWaalsContact C-N 3.27Å; D120-Q122 PolarHBondContact O-N 3.5Å
121D45.5Very low59.8Low157 Ų15791.3 Ų91.384%0.8451%0.514SS*.G310 helixtrans-74.4-6.4-179.6-51.4-27.4000114.8P119P119-D121 PolarHBondContact O-N 3.32Å
122Q42.3Very low60.4Low147 Ų14788 Ų8869%0.68750%0.496SS*.G310 helixtrans-128.90.6-177.1-72.1-178.445.900114.1V118 P119 D120V118-Q122 HydrophobicContact CG1-CB 3.5Å; P119-Q122 PolarHBondContact O-N 3.33Å; D120-Q122 VanDerWaalsContact C-N 3.27Å; D120-Q122 PolarHBondContact O-N 3.5Å
123L43.6Very low61.8Low75 Ų7585 Ų8539%0.39348%0.477SS..SBendtrans-64.2135.2170-89129.2000109.2V118 Q125V118-L123 HydrophobicContact CB-CG 4.27Å; V118-L123 WeakPolarHBondContact O-CD1 3.45Å; L123-Q125 PolarHBondContact O-N 3.01Å
124P48.1Very low64.2Low72 Ų7280.7 Ų80.747%0.46845%0.447SS..  trans-55.1114.3167-16.527.4000106.9T126P124-T126 PolarHBondContact O-N 3.4Å
125Q52.8Low66.8Low183 Ų18378.2 Ų78.286%0.85542%0.416SS*.  trans-49.3112.9175.3-112.8169.2-6.500107.6L123 C127L123-Q125 PolarHBondContact O-N 3.01Å; Q125-C127 PolarHBondContact O-N 2.85Å
126T61.5Low69.2Low98 Ų9875.7 Ų75.760%0.60139%0.388SS*.  trans-61.9110.417943.60000107.4T112 P124 R128T112-T126 HydrophobicContact CG2-CG2 3.69Å; P124-T126 PolarHBondContact O-N 3.4Å; T126-R128 PolarHBondContact O-N 3.18Å
127C78.3Confident71.9Confident28 Ų2864.9 Ų64.919%0.18935%0.348CS..  trans-83.9103.2-178.4-175.20000108.8Q125 M129 A160 V164Q125-C127 PolarHBondContact O-N 2.85Å; C127-M129 PolarHBondContact O-N 3.44Å; C127-A160 HydrophobicContact CB-CB 3.8Å; C127-V164 HydrophobicContact CB-CG2 4.2Å
128R92.1Very high74.4Confident79 Ų7956.6 Ų56.630%0.29830%0.303SS..  trans-66.5119.5166.4174175.9162.5-106.5-0108.5E107 T126 D148E107-R128 IonicContact OE1-CZ 3.67Å; E107-R128 IonicContact OE1-NE 3.85Å; E107-R128 PolarHBondContact OE1-NE 2.99Å; E107-R128 IonicContact OE1-NH2 2.82Å; E107-R128 PolarHBondContact OE1-NH2 3.33Å; E107-R128 IonicContact OE2-NE 2.71Å; T126-R128 PolarHBondContact O-N 3.18Å; R128-D148 IonicContact NH1-OD1 3.5Å; R128-D148 PolarHBondContact NH1-OD1 3.46Å; R128-D148 PolarHBondContact O-N 2.82Å
129M95.8Very high76.9Confident0 Ų055.3 Ų55.30%029%0.294CS..EExtended strand (participates in β ladder)trans-108.2116.1179165.33759.700110.5E107 M108 C127 V131 L145 V146 P147 V164E107-M129 CarbonylContact C-O 3.58Å; E107-M129 WeakPolarHBondContact CA-O 3.19Å; M108-M129 HydrophobicContact CB-CB 4.09Å; M108-M129 HydrophobicContact CB-CG 4.1Å; M108-M129 HydrophobicContact CE-CB 4.26Å; M108-M129 HydrophobicContact CE-CG 3.7Å; M108-M129 PolarHBondContact N-O 2.87Å; M108-M129 WeakPolarHBondContact O-CB 3.5Å; M108-M129 PolarHBondContact O-N 3.08Å; C127-M129 PolarHBondContact O-N 3.44Å; M129-V131 HydrophobicContact CG-CG2 4Å; M129-V131 HydrophobicContact SD-CG2 4.21Å; M129-L145 HydrophobicContact CE-CB 3.72Å; M129-L145 HydrophobicContact CG-CB 4.26Å; M129-L145 HydrophobicContact CG-CD2 4.41Å; M129-L145 WeakPolarHBondContact SD-CA 3.47Å; M129-L145 HydrophobicContact SD-CB 3.39Å; M129-L145 WeakPolarHBondContact SD-CB 3.27Å; M129-L145 HydrophobicContact SD-CG 4.11Å; M129-V146 VanDerWaalsContact CE-O 3.27Å; M129-V146 WeakPolarHBondContact CE-O 3.4Å; M129-V146 PolarHBondContact SD-N 3.31Å; M129-P147 HydrophobicContact CE-CB 4.12Å; M129-P147 HydrophobicContact CE-CG 3.8Å; M129-V164 HydrophobicContact CB-CG1 4.09Å; M129-V164 HydrophobicContact CG-CG1 4.04Å
130V97.9Very high79.5Confident4 Ų454.3 Ų54.32%0.02428%0.281CS..EExtended strand (participates in β ladder)trans-89.9116.1172.7-177.20000109.6I104 V146 P149I104-V130 HydrophobicContact CD1-CG1 4.35Å; I104-V130 HydrophobicContact CG1-CG1 4.34Å; I104-V130 HydrophobicContact CG2-CG1 3.84Å; V130-V146 PolarHBondContact N-O 3.07Å; V130-V146 PolarHBondContact O-N 2.87Å; V130-P149 HydrophobicContact CB-CG 3.92Å; V130-P149 VanDerWaalsContact CG2-CD 3.49Å; V130-P149 HydrophobicContact CG2-CG 3.76Å
131V98.5Very high82.1Confident2 Ų247.5 Ų47.51%0.01225%0.245CC..EExtended strand (participates in β ladder)trans-97.2125.1178-1720000109.5L105 F106 M108 M129 C143 L144L105-V131 WeakPolarHBondContact CB-O 3.3Å; L105-V131 HydrophobicContact CD1-CG1 4.25Å; L105-V131 PolarHBondContact N-O 3.32Å; F106-V131 HydrophobicContact CD2-CB 4.29Å; F106-V131 HydrophobicContact CD2-CG2 4.14Å; F106-V131 HydrophobicContact CE1-CB 4.21Å; F106-V131 HydrophobicContact CE1-CG1 4.13Å; F106-V131 HydrophobicContact CE2-CB 4Å; F106-V131 HydrophobicContact CE2-CG2 3.61Å; F106-V131 HydrophobicContact CZ-CB 3.94Å; F106-V131 HydrophobicContact CZ-CG1 3.97Å; F106-V131 HydrophobicContact CZ-CG2 3.88Å; F106-V131 PolarHBondContact N-O 3.42Å; F106-V131 PolarHBondContact O-N 2.88Å; M108-V131 HydrophobicContact CB-CG2 4.3Å; M129-V131 HydrophobicContact CG-CG2 4Å; M129-V131 HydrophobicContact SD-CG2 4.21Å; V131-C143 HydrophobicContact CG1-CB 4.1Å; V131-L144 WeakPolarHBondContact CA-O 3.49Å
132L98.4Very high84.6Confident3 Ų340 Ų402%0.01621%0.205CC..EExtended strand (participates in β ladder)trans-137.4157.9-176.662.686.5000111.5F96 I99 E103 C143 L144 V146F96-L132 HydrophobicContact CB-CD2 4.44Å; F96-L132 HydrophobicContact CD1-CD2 4.2Å; F96-L132 HydrophobicContact CG-CD2 4.49Å; I99-L132 HydrophobicContact CD1-CD2 3.58Å; E103-L132 CarbonylContact O-C 3.53Å; E103-L132 VanDerWaalsContact O-CA 3.31Å; E103-L132 WeakPolarHBondContact O-CA 3.05Å; E103-L132 WeakPolarHBondContact O-CB 3.44Å; L132-C143 CarbonylContact O-C 3.56Å; L132-C143 WeakPolarHBondContact O-CA 3.12Å; L132-C143 VanDerWaalsContact O-CB 3.25Å; L132-C143 WeakPolarHBondContact O-CB 3.25Å; L132-L144 HydrophobicContact CD1-CB 3.72Å; L132-L144 HydrophobicContact CD1-CD1 3.87Å; L132-L144 HydrophobicContact CD1-CG 3.97Å; L132-L144 HydrophobicContact CG-CB 4.09Å; L132-L144 PolarHBondContact N-O 3.04Å; L132-L144 PolarHBondContact O-N 3.33Å; L132-V146 HydrophobicContact CD2-CG2 3.78Å; L132-V146 HydrophobicContact CG-CG2 4.39Å
133I98.6Very high87.3Confident1 Ų133 Ų331%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-67.1143.5176.959.8165.5000111.1R40 L45 F46 E103 L105 V135R40-I133 HydrophobicContact CB-CD1 4.04Å; R40-I133 HydrophobicContact CB-CG2 4.1Å; R40-I133 HydrophobicContact CG-CD1 4.31Å; R40-I133 HydrophobicContact CG-CG2 4.18Å; L45-I133 HydrophobicContact CB-CD1 4Å; F46-I133 HydrophobicContact CD1-CD1 4.14Å; F46-I133 HydrophobicContact CD2-CD1 4.09Å; F46-I133 HydrophobicContact CE1-CB 3.86Å; F46-I133 HydrophobicContact CE1-CD1 3.86Å; F46-I133 HydrophobicContact CE1-CG1 4.37Å; F46-I133 HydrophobicContact CE1-CG2 4.35Å; F46-I133 HydrophobicContact CE2-CD1 3.79Å; F46-I133 HydrophobicContact CE2-CG2 4.49Å; F46-I133 HydrophobicContact CG-CD1 4.29Å; F46-I133 HydrophobicContact CZ-CB 3.78Å; F46-I133 HydrophobicContact CZ-CD1 3.69Å; F46-I133 HydrophobicContact CZ-CG1 4.33Å; F46-I133 HydrophobicContact CZ-CG2 3.77Å; E103-I133 HydrophobicContact CB-CD1 4.46Å; E103-I133 HydrophobicContact CB-CG1 3.9Å; E103-I133 HydrophobicContact CG-CD1 4.35Å; E103-I133 HydrophobicContact CG-CG1 4.25Å; E103-I133 PolarHBondContact O-N 3.28Å; L105-I133 HydrophobicContact CD1-CG2 4.28Å; L105-I133 HydrophobicContact CD2-CG2 3.64Å; L105-I133 HydrophobicContact CG-CG2 4.08Å; I133-V135 HydrophobicContact CD1-CG1 4Å; I133-V135 HydrophobicContact CG1-CG1 4.14Å; I133-V135 PolarHBondContact O-N 2.94Å
134N97.5Very high89.9Confident23 Ų2329.9 Ų29.912%0.12316%0.155CC..  trans-81.7106.9161-167.5-37000108.8F46 S136 P137 H142 L144F46-N134 WeakPolarHBondContact CD1-O 3.42Å; F46-N134 WeakPolarHBondContact CE1-O 3.16Å; N134-S136 PolarHBondContact O-N 2.91Å; N134-S136 PolarHBondContact OD1-N 3.44Å; N134-S136 PolarHBondContact OD1-O 3.34Å; N134-P137 WeakPolarHBondContact O-CD 3.08Å; N134-H142 HydrophobicContact CB-CB 4.46Å; N134-H142 VanDerWaalsContact CG-CE1 3.42Å; N134-H142 PolarHBondContact N-O 3.1Å; N134-H142 PolarHBondContact ND2-CE1 3.37Å; N134-H142 PolarHBondContact ND2-NE2 2.79Å; N134-H142 VanDerWaalsContact ND2-NE2 3.2Å; N134-L144 HydrophobicContact CB-CD2 4.19Å; N134-L144 HydrophobicContact CB-CG 4.12Å; N134-L144 WeakPolarHBondContact ND2-CD2 3.48Å
135V96.7Very high92.4Very high24 Ų2426.6 Ų26.615%0.14513%0.134CC..SBendtrans-60.7-7179.8-590000114.4R47 E103 I133R47-V135 WeakPolarHBondContact CB-O 3.33Å; R47-V135 HydrophobicContact CG-CB 4.46Å; R47-V135 HydrophobicContact CG-CG2 4.39Å; R47-V135 WeakPolarHBondContact CG-O 3.3Å; R47-V135 PolarHBondContact N-O 2.75Å; E103-V135 HydrophobicContact CG-CG1 4.04Å; E103-V135 WeakPolarHBondContact OE2-CG1 3.04Å; I133-V135 HydrophobicContact CD1-CG1 4Å; I133-V135 HydrophobicContact CG1-CG1 4.14Å; I133-V135 PolarHBondContact O-N 2.94Å
136S94.9Very high94.5Very high10 Ų1017.9 Ų17.97%0.079%0.093CC..SBendtrans-121.171168.2-600000110.2R47 N134R47-S136 WeakPolarHBondContact CD-OG 3.46Å; N134-S136 PolarHBondContact O-N 2.91Å; N134-S136 PolarHBondContact OD1-N 3.44Å; N134-S136 PolarHBondContact OD1-O 3.34Å
137P96.1Very high96.2Very high0 Ų013.3 Ų13.30%07%0.065CC..  trans-71.6134.7-163.730.9-34.1000111W37 M41 F46 Y48 L50 N69 N134 H142W37-P137 HydrophobicContact CZ2-CB 4Å; W37-P137 HydrophobicContact CZ2-CG 4.32Å; M41-P137 HydrophobicContact CE-CG 4.27Å; F46-P137 HydrophobicContact CD1-CB 4.16Å; F46-P137 HydrophobicContact CD1-CG 3.64Å; F46-P137 HydrophobicContact CE1-CB 4.08Å; F46-P137 HydrophobicContact CE1-CG 4.03Å; F46-P137 HydrophobicContact CG-CG 4.47Å; Y48-P137 HydrophobicContact CE2-CG 4.25Å; Y48-P137 PolarHBondContact OH-O 3.41Å; L50-P137 HydrophobicContact CB-CG 4.04Å; L50-P137 HydrophobicContact CD2-CB 4.16Å; L50-P137 HydrophobicContact CD2-CG 4.24Å; N69-P137 PolarHBondContact ND2-O 2.79Å; N134-P137 WeakPolarHBondContact O-CD 3.08Å; P137-H142 WeakPolarHBondContact CA-ND1 3.37Å; P137-H142 HydrophobicContact CB-CB 4.07Å
138L94.3Very high96.9Very high3 Ų313.9 Ų13.92%0.0167%0.066CC..SBendtrans-84.5-32.1-179.978.690.7000110.5L53 H142 Y198 H315L53-L138 WeakPolarHBondContact CD1-O 3.28Å; L138-H142 HydrophobicContact CG-CB 4.48Å; L138-H142 PolarHBondContact N-ND1 3.24Å; L138-Y198 HydrophobicContact CD1-CD2 3.89Å; L138-Y198 HydrophobicContact CD1-CE2 4.02Å; L138-Y198 HydrophobicContact CD1-CG 4.23Å; L138-Y198 HydrophobicContact CD2-CD1 4.12Å; L138-Y198 HydrophobicContact CD2-CE1 4.38Å; L138-Y198 HydrophobicContact CD2-CG 4.28Å; L138-Y198 HydrophobicContact CG-CG 4.45Å; L138-H315 WeakPolarHBondContact CD1-CE1 3.27Å
139E96.4Very high97.1Very high27 Ų2710.7 Ų10.713%0.1266%0.056CC..SBendtrans-157.2166.9-174.2-178.755.9-81.800107.9Q67 H142 Y198 Y199Q67-E139 PolarHBondContact NE2-OE2 2.91Å; Q67-E139 PolarHBondContact OE1-OE2 3.41Å; E139-H142 WeakPolarHBondContact O-CB 2.91Å; E139-H142 PolarHBondContact O-N 2.69Å; E139-H142 VanDerWaalsContact O-N 3.14Å; E139-Y198 HydrophobicContact CB-CD2 4.12Å; E139-Y198 HydrophobicContact CG-CD2 4.35Å; E139-Y199 WeakPolarHBondContact CG-O 3.45Å
140F97.3Very high97Very high61 Ų6114.4 Ų14.427%0.2688%0.082SC..THydrogen-bonded Turntrans-49.8137.1172.9177.1-104.4000112.8R34 W37 H142 Y199R34-F140 HydrophobicContact CB-CE1 4.22Å; R34-F140 HydrophobicContact CB-CZ 3.9Å; R34-F140 HydrophobicContact CG-CE1 3.68Å; R34-F140 HydrophobicContact CG-CZ 3.9Å; W37-F140 HydrophobicContact CD2-CD2 4.32Å; W37-F140 HydrophobicContact CD2-CE2 4.46Å; W37-F140 AromaticContact CE3-CD2 3.57Å; W37-F140 HydrophobicContact CE3-CD2 3.57Å; W37-F140 AromaticContact CE3-CE2 3.6Å; W37-F140 HydrophobicContact CE3-CE2 3.6Å; W37-F140 HydrophobicContact CH2-CD2 4.02Å; W37-F140 AromaticContact CZ3-CD2 3.42Å; W37-F140 HydrophobicContact CZ3-CD2 3.42Å; W37-F140 VanDerWaalsContact CZ3-CD2 3.42Å; W37-F140 AromaticContact CZ3-CE2 3.81Å; W37-F140 HydrophobicContact CZ3-CE2 3.81Å; F140-H142 PolarHBondContact O-N 3.49Å; F140-Y199 HydrophobicContact CD1-CD2 4.32Å; F140-Y199 PolarHBondContact O-N 3.05Å
141G97.9Very high96.9Very high0 Ų019.3 Ų19.30%011%0.108CC..THydrogen-bonded Turntrans67.613-178.700000114.6W37 C143W37-G141 VanDerWaalsContact CD1-CA 3.48Å; G141-C143 PolarHBondContact O-N 2.96Å
142H98.6Very high96.8Very high0 Ų021.2 Ų21.20%012%0.12CC..  trans-60.3106.8176.4-174.5-162.2000111N134 P137 L138 E139 F140 H196 G197N134-H142 HydrophobicContact CB-CB 4.46Å; N134-H142 VanDerWaalsContact CG-CE1 3.42Å; N134-H142 PolarHBondContact N-O 3.1Å; N134-H142 PolarHBondContact ND2-CE1 3.37Å; N134-H142 PolarHBondContact ND2-NE2 2.79Å; N134-H142 VanDerWaalsContact ND2-NE2 3.2Å; P137-H142 WeakPolarHBondContact CA-ND1 3.37Å; P137-H142 HydrophobicContact CB-CB 4.07Å; L138-H142 HydrophobicContact CG-CB 4.48Å; L138-H142 PolarHBondContact N-ND1 3.24Å; E139-H142 WeakPolarHBondContact O-CB 2.91Å; E139-H142 PolarHBondContact O-N 2.69Å; E139-H142 VanDerWaalsContact O-N 3.14Å; F140-H142 PolarHBondContact O-N 3.49Å; H142-H196 AromaticContact CE1-ND1 3.72Å; H142-H196 AromaticContact NE2-CE1 3.9Å; H142-H196 AromaticContact NE2-CG 3.85Å; H142-H196 AromaticContact NE2-ND1 2.93Å; H142-H196 PolarHBondContact NE2-ND1 3.08Å; H142-G197 CarbonylContact C-O 3.57Å; H142-G197 VanDerWaalsContact CA-O 3.24Å; H142-G197 WeakPolarHBondContact CA-O 3.25Å; H142-G197 PolarHBondContact CD2-O 3.16Å
143C98.6Very high96.8Very high0 Ų023.2 Ų23.20%013%0.131CC..EExtended strand (participates in β ladder)trans-121.5166.1179.467.30000110.6L105 V131 L132 G141 G197L105-C143 HydrophobicContact CD1-CB 4.3Å; V131-C143 HydrophobicContact CG1-CB 4.1Å; L132-C143 CarbonylContact O-C 3.56Å; L132-C143 WeakPolarHBondContact O-CA 3.12Å; L132-C143 VanDerWaalsContact O-CB 3.25Å; L132-C143 WeakPolarHBondContact O-CB 3.25Å; G141-C143 PolarHBondContact O-N 2.96Å; C143-G197 PolarHBondContact N-O 3.12Å; C143-G197 PolarHBondContact O-N 2.86Å
144L98.8Very high96.7Very high9 Ų925.3 Ų25.35%0.04714%0.144CC..EExtended strand (participates in β ladder)trans-114.9138.3171.6-55.4-176.4000109.1F96 V131 L132 N134 V146 L195 H196F96-L144 HydrophobicContact CD1-CD1 4.38Å; F96-L144 HydrophobicContact CE1-CD1 3.37Å; F96-L144 HydrophobicContact CZ-CD1 3.54Å; V131-L144 WeakPolarHBondContact CA-O 3.49Å; L132-L144 HydrophobicContact CD1-CB 3.72Å; L132-L144 HydrophobicContact CD1-CD1 3.87Å; L132-L144 HydrophobicContact CD1-CG 3.97Å; L132-L144 HydrophobicContact CG-CB 4.09Å; L132-L144 PolarHBondContact N-O 3.04Å; L132-L144 PolarHBondContact O-N 3.33Å; N134-L144 HydrophobicContact CB-CD2 4.19Å; N134-L144 HydrophobicContact CB-CG 4.12Å; N134-L144 WeakPolarHBondContact ND2-CD2 3.48Å; L144-V146 HydrophobicContact CB-CG2 4.34Å; L144-L195 CarbonylContact C-O 3.57Å; L144-L195 VanDerWaalsContact CA-O 3.28Å; L144-L195 WeakPolarHBondContact CA-O 3.37Å; L144-H196 WeakPolarHBondContact CD2-ND1 3.39Å
145L98.6Very high96.8Very high3 Ų324.2 Ų24.22%0.01614%0.139CC..EExtended strand (participates in β ladder)trans-104.1106.8172.2-66.982.3000107.1M108 M129 S168 H194 L195M108-L145 HydrophobicContact CE-CD2 4.18Å; M129-L145 HydrophobicContact CE-CB 3.72Å; M129-L145 HydrophobicContact CG-CB 4.26Å; M129-L145 HydrophobicContact CG-CD2 4.41Å; M129-L145 WeakPolarHBondContact SD-CA 3.47Å; M129-L145 HydrophobicContact SD-CB 3.39Å; M129-L145 WeakPolarHBondContact SD-CB 3.27Å; M129-L145 HydrophobicContact SD-CG 4.11Å; L145-S168 WeakPolarHBondContact CD2-OG 3.43Å; L145-H194 CarbonylContact O-C 3.42Å; L145-H194 VanDerWaalsContact O-CA 3.29Å; L145-H194 WeakPolarHBondContact O-CA 3.49Å; L145-L195 HydrophobicContact CB-CB 4.15Å; L145-L195 PolarHBondContact N-O 3.27Å; L145-L195 PolarHBondContact O-N 3.42Å
146V98.4Very high96.8Very high0 Ų025 Ų250%014%0.142CC..EExtended strand (participates in β ladder)trans-106.9111.5-179.4-169.10000111.5F96 M129 V130 L132 L144 D148 P149 L193 H194F96-V146 HydrophobicContact CB-CG1 4.16Å; F96-V146 HydrophobicContact CB-CG2 4.25Å; F96-V146 HydrophobicContact CD1-CG2 4.39Å; F96-V146 HydrophobicContact CD2-CB 4.48Å; F96-V146 HydrophobicContact CD2-CG1 3.84Å; F96-V146 HydrophobicContact CD2-CG2 3.71Å; F96-V146 HydrophobicContact CE2-CG2 4.16Å; F96-V146 HydrophobicContact CG-CG1 4.29Å; F96-V146 HydrophobicContact CG-CG2 3.85Å; M129-V146 VanDerWaalsContact CE-O 3.27Å; M129-V146 WeakPolarHBondContact CE-O 3.4Å; M129-V146 PolarHBondContact SD-N 3.31Å; V130-V146 PolarHBondContact N-O 3.07Å; V130-V146 PolarHBondContact O-N 2.87Å; L132-V146 HydrophobicContact CD2-CG2 3.78Å; L132-V146 HydrophobicContact CG-CG2 4.39Å; L144-V146 HydrophobicContact CB-CG2 4.34Å; V146-D148 PolarHBondContact O-N 2.83Å; V146-P149 HydrophobicContact CB-CG 4.08Å; V146-P149 HydrophobicContact CG1-CB 4.1Å; V146-P149 HydrophobicContact CG1-CG 3.68Å; V146-L193 WeakPolarHBondContact CG1-O 3.45Å; V146-H194 HydrophobicContact CG2-CB 4.12Å
147P96.4Very high96.9Very high3 Ų324.9 Ų24.92%0.01914%0.14CC..EExtended strand (participates in β ladder)trans-72.5120.6-179.4-13.730000109.4M129 A161 L193M129-P147 HydrophobicContact CE-CB 4.12Å; M129-P147 HydrophobicContact CE-CG 3.8Å; P147-A161 HydrophobicContact CG-CB 3.78Å; P147-L193 HydrophobicContact CB-CD2 4.44Å; P147-L193 WeakPolarHBondContact CD-O 3.45Å; P147-L193 HydrophobicContact CG-CD2 3.79Å; P147-L193 HydrophobicContact CG-CG 3.84Å
148D93.4Very high97Very high39 Ų3927.1 Ų27.121%0.20915%0.154CC..  trans21.484.7-173.5-165.3-14.9000113.9R128 V146 S150 L151R128-D148 IonicContact NH1-OD1 3.5Å; R128-D148 PolarHBondContact NH1-OD1 3.46Å; R128-D148 PolarHBondContact O-N 2.82Å; V146-D148 PolarHBondContact O-N 2.83Å; D148-S150 PolarHBondContact O-N 3.03Å; D148-S150 WeakPolarHBondContact OD1-CB 3.47Å; D148-S150 PolarHBondContact OD1-N 2.89Å; D148-S150 PolarHBondContact OD1-OG 2.91Å; D148-L151 HydrophobicContact CB-CD1 3.84Å; D148-L151 HydrophobicContact CB-CG 3.89Å; D148-L151 WeakPolarHBondContact O-CB 2.87Å; D148-L151 PolarHBondContact O-N 2.99Å
149P95.3Very high97Very high12 Ų1231.2 Ų31.28%0.07817%0.169CC..G310 helixtrans-52-25.1-174.8-26.531.5000114.3N97 V130 V146 L151 C152 H192N97-P149 PolarHBondContact ND2-O 2.88Å; N97-P149 WeakPolarHBondContact OD1-CB 3.34Å; N97-P149 PolarHBondContact OD1-O 2.71Å; V130-P149 HydrophobicContact CB-CG 3.92Å; V130-P149 VanDerWaalsContact CG2-CD 3.49Å; V130-P149 HydrophobicContact CG2-CG 3.76Å; V146-P149 HydrophobicContact CB-CG 4.08Å; V146-P149 HydrophobicContact CG1-CB 4.1Å; V146-P149 HydrophobicContact CG1-CG 3.68Å; P149-L151 VanDerWaalsContact C-N 3.29Å; P149-L151 PolarHBondContact O-N 3.43Å; P149-C152 PolarHBondContact O-N 2.84Å; P149-H192 PolarHBondContact O-CE1 3Å; P149-H192 VanDerWaalsContact O-CE1 3.28Å; P149-H192 PolarHBondContact O-NE2 3.13Å
150S94.9Very high96.9Very high78 Ų7831.3 Ų31.355%0.54517%0.174SC..G310 helixtrans-68.5-26.2179.874.20000113.4D148 C152D148-S150 PolarHBondContact O-N 3.03Å; D148-S150 WeakPolarHBondContact OD1-CB 3.47Å; D148-S150 PolarHBondContact OD1-N 2.89Å; D148-S150 PolarHBondContact OD1-OG 2.91Å; S150-C152 PolarHBondContact O-N 2.89Å; S150-C152 PolarHBondContact O-SG 2.7Å
151L95.6Very high96.9Very high108 Ų10828.4 Ų28.457%0.56516%0.162SC*.G310 helixtrans-70.7-14.3177.1-64-178.2000113D148 P149 L153D148-L151 HydrophobicContact CB-CD1 3.84Å; D148-L151 HydrophobicContact CB-CG 3.89Å; D148-L151 WeakPolarHBondContact O-CB 2.87Å; D148-L151 PolarHBondContact O-N 2.99Å; P149-L151 VanDerWaalsContact C-N 3.29Å; P149-L151 PolarHBondContact O-N 3.43Å; L151-L153 HydrophobicContact CB-CD1 4.42Å; L151-L153 HydrophobicContact CB-CD2 4.12Å; L151-L153 HydrophobicContact CB-CG 3.85Å; L151-L153 HydrophobicContact CD1-CD1 4.36Å; L151-L153 PolarHBondContact O-N 3.48Å
152C97.1Very high96.9Very high41 Ų4128.7 Ų28.728%0.27716%0.163SC..  trans53.338.6176.7-62.30000112.9F89 P149 S150F89-C152 VanDerWaalsContact CB-O 3.31Å; F89-C152 WeakPolarHBondContact CB-O 3.27Å; F89-C152 HydrophobicContact CD1-CB 3.66Å; F89-C152 HydrophobicContact CD2-CB 4.18Å; F89-C152 WeakPolarHBondContact CD2-O 3.38Å; F89-C152 HydrophobicContact CE1-CB 3.47Å; F89-C152 VanDerWaalsContact CE1-CB 3.47Å; F89-C152 HydrophobicContact CE2-CB 4.01Å; F89-C152 HydrophobicContact CG-CB 4.01Å; F89-C152 WeakPolarHBondContact CG-O 3.37Å; F89-C152 HydrophobicContact CZ-CB 3.66Å; P149-C152 PolarHBondContact O-N 2.84Å; S150-C152 PolarHBondContact O-N 2.89Å; S150-C152 PolarHBondContact O-SG 2.7Å
153L96.9Very high96.8Very high46 Ų4629.8 Ų29.824%0.24117%0.169CC..  trans-63.1133.8-176.8-62.2174.8000110L151 T158 H192 L193L151-L153 HydrophobicContact CB-CD1 4.42Å; L151-L153 HydrophobicContact CB-CD2 4.12Å; L151-L153 HydrophobicContact CB-CG 3.85Å; L151-L153 HydrophobicContact CD1-CD1 4.36Å; L151-L153 PolarHBondContact O-N 3.48Å; L153-T158 HydrophobicContact CD1-CG2 4.3Å; L153-H192 CarbonylContact O-C 3.5Å; L153-H192 WeakPolarHBondContact O-CA 3.37Å; L153-H192 PolarHBondContact O-CD2 3.41Å; L153-L193 HydrophobicContact CB-CB 3.82Å; L153-L193 HydrophobicContact CB-CD2 4.22Å; L153-L193 HydrophobicContact CD1-CD2 3.91Å; L153-L193 PolarHBondContact O-N 2.82Å
154P97.6Very high96.7Very high44 Ų4430.1 Ų30.129%0.28617%0.17SC..  trans-62.3163.8171.729-34.9000110.4I156 N191 L193P154-I156 HydrophobicContact CB-CD1 4.46Å; P154-I156 HydrophobicContact CG-CD1 4.16Å; P154-I156 HydrophobicContact CG-CG1 4.5Å; P154-I156 PolarHBondContact O-N 3.42Å; P154-N191 WeakPolarHBondContact CA-OD1 3.44Å; P154-L193 WeakPolarHBondContact O-CB 3.28Å
155Q98Very high96.7Very high1 Ų129.7 Ų29.71%0.00517%0.169CC..SBendtrans-72.963179.9-173.869.69.400111.6F181 N182 L184 A188 N191 H192 H194Q155-F181 HydrophobicContact CG-CE2 3.95Å; Q155-F181 HydrophobicContact CG-CZ 4.17Å; Q155-N182 PolarHBondContact NE2-O 2.82Å; Q155-L184 HydrophobicContact CB-CD2 3.83Å; Q155-L184 HydrophobicContact CB-CG 3.99Å; Q155-L184 HydrophobicContact CG-CD2 4.18Å; Q155-L184 HydrophobicContact CG-CG 4.48Å; Q155-A188 HydrophobicContact CG-CB 3.97Å; Q155-N191 PolarHBondContact N-OD1 3.28Å; Q155-H192 PolarHBondContact OE1-O 3.08Å; Q155-H194 PolarHBondContact NE2-O 2.64Å; Q155-H194 VanDerWaalsContact NE2-O 3.1Å; Q155-H194 PolarHBondContact OE1-CE1 3.17Å; Q155-H194 PolarHBondContact OE1-ND1 3.31Å
156I98.1Very high96.7Very high41 Ų4129.6 Ų29.621%0.2117%0.168CC..SBendtrans-130.3129.1177.3-64.9172.9000106.3P154 L193 V254P154-I156 HydrophobicContact CB-CD1 4.46Å; P154-I156 HydrophobicContact CG-CD1 4.16Å; P154-I156 HydrophobicContact CG-CG1 4.5Å; P154-I156 PolarHBondContact O-N 3.42Å; I156-L193 VanDerWaalsContact O-CD1 3.28Å; I156-L193 WeakPolarHBondContact O-CD1 3.41Å; I156-L193 WeakPolarHBondContact O-CD2 3.43Å; I156-V254 HydrophobicContact CD1-CG1 4.22Å; I156-V254 HydrophobicContact CG2-CG2 4.15Å
157L97.7Very high96.7Very high6 Ų629.6 Ų29.63%0.03117%0.168CC..  trans-64.7138.9-177-77.3167.5000111.2V162 F181 L193 L195 T250 L262L157-V162 HydrophobicContact CB-CG2 4.02Å; L157-V162 HydrophobicContact CD1-CG2 4.19Å; L157-V162 HydrophobicContact CD2-CG2 4.02Å; L157-V162 HydrophobicContact CG-CG2 4.3Å; L157-F181 HydrophobicContact CD1-CB 4.37Å; L157-F181 HydrophobicContact CD1-CD1 3.55Å; L157-F181 HydrophobicContact CD1-CD2 4.41Å; L157-F181 HydrophobicContact CD1-CE1 3.8Å; L157-F181 HydrophobicContact CD1-CG 3.88Å; L157-F181 HydrophobicContact CD1-CZ 4.34Å; L157-F181 HydrophobicContact CD2-CB 4.28Å; L157-F181 HydrophobicContact CD2-CD1 4.3Å; L157-F181 HydrophobicContact CD2-CD2 3.65Å; L157-F181 HydrophobicContact CD2-CE2 3.95Å; L157-F181 HydrophobicContact CD2-CG 3.83Å; L157-F181 HydrophobicContact CD2-CZ 4.4Å; L157-F181 HydrophobicContact CG-CD1 3.81Å; L157-F181 HydrophobicContact CG-CD2 3.88Å; L157-F181 HydrophobicContact CG-CE1 3.75Å; L157-F181 HydrophobicContact CG-CE2 3.82Å; L157-F181 HydrophobicContact CG-CG 3.86Å; L157-F181 HydrophobicContact CG-CZ 3.76Å; L157-L193 HydrophobicContact CD2-CD1 4.47Å; L157-L195 HydrophobicContact CD2-CD2 3.66Å; L157-T250 HydrophobicContact CD1-CG2 3.95Å; L157-L262 HydrophobicContact CD1-CD1 3.83Å; L157-L262 HydrophobicContact CD1-CD2 3.61Å; L157-L262 HydrophobicContact CD1-CG 4.3Å
158T96.6Very high96.7Very high47 Ų4729.6 Ų29.629%0.28817%0.168SC..  trans-107153.6166.5670000109L153 A160 A161 V162 L193L153-T158 HydrophobicContact CD1-CG2 4.3Å; T158-A160 PolarHBondContact O-N 2.74Å; T158-A160 VanDerWaalsContact O-N 3.16Å; T158-A161 PolarHBondContact O-N 3.47Å; T158-A161 WeakPolarHBondContact OG1-CB 3.35Å; T158-A161 PolarHBondContact OG1-N 3.28Å; T158-A161 VanDerWaalsContact OG1-N 3.17Å; T158-V162 WeakPolarHBondContact O-CG2 3.36Å; T158-V162 PolarHBondContact O-N 2.78Å; T158-L193 HydrophobicContact CG2-CD2 3.94Å
159R95.4Very high97Very high89 Ų8927.7 Ų27.734%0.33616%0.158SC..Hα-helixtrans-49.6-42.6174.1-178.1-179.6175.4-158.7-1.8112.3V162 Q163 E240 A243 C247R159-V162 PolarHBondContact O-N 2.77Å; R159-Q163 WeakPolarHBondContact O-CB 3.3Å; R159-Q163 PolarHBondContact O-N 3.37Å; R159-E240 IonicContact CZ-OE1 3.94Å; R159-E240 VanDerWaalsContact NH2-CD 3.27Å; R159-E240 IonicContact NH2-OE1 3.86Å; R159-E240 PolarHBondContact NH2-OE1 3.38Å; R159-A243 HydrophobicContact CG-CB 4.45Å; R159-C247 HydrophobicContact CB-CB 4.32Å; R159-C247 PolarHBondContact N-SG 2.73Å
160A93.9Very high97.1Very high29 Ų2927.3 Ų27.324%0.2416%0.155CC..Hα-helixtrans-68.2-39.5-179.500000112.5C127 T158 Q163 V164C127-A160 HydrophobicContact CB-CB 3.8Å; T158-A160 PolarHBondContact O-N 2.74Å; T158-A160 VanDerWaalsContact O-N 3.16Å; A160-Q163 PolarHBondContact O-N 3.17Å; A160-V164 WeakPolarHBondContact O-CB 3.48Å; A160-V164 VanDerWaalsContact O-CG2 3.29Å; A160-V164 WeakPolarHBondContact O-CG2 3.31Å; A160-V164 PolarHBondContact O-N 3.47Å
161A96.4Very high97.2Very high0 Ų023.8 Ų23.80%013%0.13CC..Hα-helixtrans-64.3-44.2174.300000111.5P147 T158 V164 G165 L193 L195P147-A161 HydrophobicContact CG-CB 3.78Å; T158-A161 PolarHBondContact O-N 3.47Å; T158-A161 WeakPolarHBondContact OG1-CB 3.35Å; T158-A161 PolarHBondContact OG1-N 3.28Å; T158-A161 VanDerWaalsContact OG1-N 3.17Å; A161-V164 PolarHBondContact O-N 2.77Å; A161-G165 PolarHBondContact O-N 3.49Å; A161-L193 HydrophobicContact CB-CD2 4.07Å; A161-L195 WeakPolarHBondContact O-CD1 3.37Å
162V98Very high97.2Very high6 Ų618.6 Ų18.64%0.03610%0.103CC..Hα-helixtrans-60.1-48176.3176.20000110.9L157 T158 R159 G165 I166 A243 I246L157-V162 HydrophobicContact CB-CG2 4.02Å; L157-V162 HydrophobicContact CD1-CG2 4.19Å; L157-V162 HydrophobicContact CD2-CG2 4.02Å; L157-V162 HydrophobicContact CG-CG2 4.3Å; T158-V162 WeakPolarHBondContact O-CG2 3.36Å; T158-V162 PolarHBondContact O-N 2.78Å; R159-V162 PolarHBondContact O-N 2.77Å; V162-G165 PolarHBondContact O-N 3.38Å; V162-G165 VanDerWaalsContact O-N 3.17Å; V162-I166 HydrophobicContact CG1-CD1 4.08Å; V162-I166 WeakPolarHBondContact O-CG1 3.41Å; V162-I166 PolarHBondContact O-N 2.98Å; V162-A243 HydrophobicContact CB-CB 4.31Å; V162-A243 HydrophobicContact CG1-CB 3.96Å; V162-I246 HydrophobicContact CB-CG2 4.49Å; V162-I246 HydrophobicContact CG1-CB 3.84Å; V162-I246 HydrophobicContact CG1-CD1 3.76Å; V162-I246 HydrophobicContact CG1-CG1 4.42Å; V162-I246 HydrophobicContact CG1-CG2 3.64Å; V162-I246 HydrophobicContact CG2-CG2 3.99Å
163Q97.4Very high97.1Very high24 Ų2417 Ų1711%0.1129%0.092CC..Hα-helixtrans-56.1-54.2178180176.5-25.200111R159 A160 G165 I166 E167 V239 A243R159-Q163 WeakPolarHBondContact O-CB 3.3Å; R159-Q163 PolarHBondContact O-N 3.37Å; A160-Q163 PolarHBondContact O-N 3.17Å; Q163-G165 PolarHBondContact O-N 3.49Å; Q163-I166 PolarHBondContact O-N 3.35Å; Q163-I166 VanDerWaalsContact O-N 3.1Å; Q163-E167 HydrophobicContact CG-CG 4.3Å; Q163-E167 WeakPolarHBondContact CG-OE1 3.34Å; Q163-E167 PolarHBondContact NE2-OE1 2.99Å; Q163-E167 VanDerWaalsContact O-CG 3.27Å; Q163-E167 WeakPolarHBondContact O-CG 3.42Å; Q163-E167 PolarHBondContact O-N 2.78Å; Q163-V239 HydrophobicContact CG-CG1 4.03Å; Q163-A243 HydrophobicContact CB-CB 3.82Å
164V96.7Very high96.9Very high6 Ų615.9 Ų15.94%0.0369%0.088CC..Hα-helixtrans-60.8-33.7179.1174.30000111.7M108 C127 M129 A160 A161 E167 S168M108-V164 HydrophobicContact CE-CG1 3.2Å; C127-V164 HydrophobicContact CB-CG2 4.2Å; M129-V164 HydrophobicContact CB-CG1 4.09Å; M129-V164 HydrophobicContact CG-CG1 4.04Å; A160-V164 WeakPolarHBondContact O-CB 3.48Å; A160-V164 VanDerWaalsContact O-CG2 3.29Å; A160-V164 WeakPolarHBondContact O-CG2 3.31Å; A160-V164 PolarHBondContact O-N 3.47Å; A161-V164 PolarHBondContact O-N 2.77Å; V164-E167 PolarHBondContact O-N 3.39Å; V164-S168 WeakPolarHBondContact O-CB 3.3Å; V164-S168 PolarHBondContact O-N 2.69Å; V164-S168 PolarHBondContact O-OG 3.18Å
165G98.1Very high96.6Very high1 Ų114.2 Ų14.21%0.018%0.077CC..Hα-helixtrans-62.1-44.9173.400000113.3A161 V162 Q163 S168 V169A161-G165 PolarHBondContact O-N 3.49Å; V162-G165 PolarHBondContact O-N 3.38Å; V162-G165 VanDerWaalsContact O-N 3.17Å; Q163-G165 PolarHBondContact O-N 3.49Å; G165-S168 PolarHBondContact O-N 3.28Å; G165-V169 PolarHBondContact O-N 3Å
166I98.4Very high96.5Very high0 Ų014.3 Ų14.30%08%0.079CC..Hα-helixtrans-65.8-47.1175.3-61.7165.4000110.1V162 Q163 S168 V169 L170 T234 V239 A242 A243 I246 L264 V286 I288V162-I166 HydrophobicContact CG1-CD1 4.08Å; V162-I166 WeakPolarHBondContact O-CG1 3.41Å; V162-I166 PolarHBondContact O-N 2.98Å; Q163-I166 PolarHBondContact O-N 3.35Å; Q163-I166 VanDerWaalsContact O-N 3.1Å; I166-S168 VanDerWaalsContact C-N 3.26Å; I166-S168 PolarHBondContact O-N 3.06Å; I166-V169 PolarHBondContact O-N 2.95Å; I166-V169 VanDerWaalsContact O-N 3.08Å; I166-L170 HydrophobicContact CG2-CD1 4.17Å; I166-L170 PolarHBondContact O-N 2.92Å; I166-T234 HydrophobicContact CD1-CG2 4.45Å; I166-T234 HydrophobicContact CG2-CG2 3.76Å; I166-V239 HydrophobicContact CB-CG1 4Å; I166-V239 HydrophobicContact CD1-CG1 4.4Å; I166-V239 HydrophobicContact CG2-CB 4.47Å; I166-V239 HydrophobicContact CG2-CG1 3.84Å; I166-V239 HydrophobicContact CG2-CG2 4Å; I166-A242 HydrophobicContact CD1-CB 4.37Å; I166-A243 HydrophobicContact CD1-CB 4.38Å; I166-I246 HydrophobicContact CD1-CD1 3.86Å; I166-L264 HydrophobicContact CB-CD2 4.3Å; I166-L264 HydrophobicContact CG1-CD2 3.59Å; I166-V286 HydrophobicContact CG2-CB 4.21Å; I166-V286 HydrophobicContact CG2-CG1 4.46Å; I166-V286 HydrophobicContact CG2-CG2 4.02Å; I166-I288 HydrophobicContact CD1-CD1 4.38Å; I166-I288 HydrophobicContact CD1-CG1 4.5Å; I166-I288 HydrophobicContact CG1-CD1 4.4Å; I166-I288 HydrophobicContact CG1-CG1 4.25Å
167E97.9Very high96.5Very high1 Ų112.4 Ų12.41%0.0057%0.069CC..Hα-helixtrans-60.2-37.2179.3-65.7175.6165.400111.3Y7 F12 K110 Q163 V164 V169 L170 L171 V239Y7-E167 HydrophobicContact CE2-CB 4.06Å; Y7-E167 VanDerWaalsContact CE2-OE2 3.3Å; Y7-E167 WeakPolarHBondContact CE2-OE2 3.44Å; Y7-E167 PolarHBondContact OH-OE2 3.44Å; F12-E167 HydrophobicContact CE1-CB 4.03Å; F12-E167 HydrophobicContact CE1-CG 4.14Å; F12-E167 HydrophobicContact CZ-CB 4.09Å; F12-E167 HydrophobicContact CZ-CG 3.67Å; K110-E167 WeakPolarHBondContact CD-OE1 3.25Å; K110-E167 WeakPolarHBondContact CE-OE1 3.46Å; K110-E167 IonicContact NZ-OE1 2.93Å; K110-E167 PolarHBondContact NZ-OE1 2.68Å; Q163-E167 HydrophobicContact CG-CG 4.3Å; Q163-E167 WeakPolarHBondContact CG-OE1 3.34Å; Q163-E167 PolarHBondContact NE2-OE1 2.99Å; Q163-E167 VanDerWaalsContact O-CG 3.27Å; Q163-E167 WeakPolarHBondContact O-CG 3.42Å; Q163-E167 PolarHBondContact O-N 2.78Å; V164-E167 PolarHBondContact O-N 3.39Å; E167-V169 VanDerWaalsContact C-N 3.31Å; E167-V169 PolarHBondContact O-N 3.09Å; E167-L170 CarbonylContact O-C 3.56Å; E167-L170 WeakPolarHBondContact O-CA 3.13Å; E167-L170 WeakPolarHBondContact O-CB 3.47Å; E167-L170 PolarHBondContact O-N 2.92Å; E167-L171 WeakPolarHBondContact O-CB 3.35Å; E167-L171 WeakPolarHBondContact O-CD1 3.48Å; E167-L171 WeakPolarHBondContact O-CG 3.33Å; E167-L171 PolarHBondContact O-N 2.87Å; E167-V239 HydrophobicContact CG-CG1 3.89Å
168S98.2Very high96.5Very high2 Ų212.1 Ų12.11%0.0147%0.067CC..Hα-helixtrans-60.6-38.9175.3-59.40000112.5L29 M108 L145 V164 G165 I166 S172L29-S168 WeakPolarHBondContact CD2-O 3.34Å; M108-S168 VanDerWaalsContact CE-OG 3.28Å; M108-S168 WeakPolarHBondContact CE-OG 3.09Å; L145-S168 WeakPolarHBondContact CD2-OG 3.43Å; V164-S168 WeakPolarHBondContact O-CB 3.3Å; V164-S168 PolarHBondContact O-N 2.69Å; V164-S168 PolarHBondContact O-OG 3.18Å; G165-S168 PolarHBondContact O-N 3.28Å; I166-S168 VanDerWaalsContact C-N 3.26Å; I166-S168 PolarHBondContact O-N 3.06Å; S168-S172 PolarHBondContact O-N 3.35Å
169V98.3Very high96.6Very high0 Ų09.9 Ų9.90%05%0.054CC..Hα-helixtrans-69.8-34.8173.8179.30000111.2G165 I166 E167 V179 L264 R266 V286G165-V169 PolarHBondContact O-N 3Å; I166-V169 PolarHBondContact O-N 2.95Å; I166-V169 VanDerWaalsContact O-N 3.08Å; E167-V169 VanDerWaalsContact C-N 3.31Å; E167-V169 PolarHBondContact O-N 3.09Å; V169-V179 HydrophobicContact CG2-CB 4.04Å; V169-V179 HydrophobicContact CG2-CG2 3.8Å; V169-L264 HydrophobicContact CG2-CB 3.99Å; V169-R266 HydrophobicContact CG1-CG 3.85Å; V169-R266 PolarHBondContact O-NE 3.13Å; V169-R266 PolarHBondContact O-NH2 2.92Å; V169-V286 HydrophobicContact CB-CG1 4.34Å; V169-V286 HydrophobicContact CB-CG2 4.1Å; V169-V286 HydrophobicContact CG1-CG1 4.14Å; V169-V286 HydrophobicContact CG1-CG2 3.87Å
170L97.4Very high96.7Very high3 Ų35.7 Ų5.72%0.0164%0.038CC..Hα-helixtrans-71.4-32176.2-70.6174.1000113.4F12 V13 I166 E167 V239 R266 V286F12-L170 HydrophobicContact CB-CB 4.28Å; F12-L170 HydrophobicContact CD1-CB 4.01Å; F12-L170 HydrophobicContact CD2-CB 4.38Å; F12-L170 HydrophobicContact CD2-CD1 4.1Å; F12-L170 HydrophobicContact CE1-CB 4.48Å; F12-L170 HydrophobicContact CE2-CD1 4.14Å; F12-L170 HydrophobicContact CG-CB 3.98Å; V13-L170 PolarHBondContact N-O 3.36Å; I166-L170 HydrophobicContact CG2-CD1 4.17Å; I166-L170 PolarHBondContact O-N 2.92Å; E167-L170 CarbonylContact O-C 3.56Å; E167-L170 WeakPolarHBondContact O-CA 3.13Å; E167-L170 WeakPolarHBondContact O-CB 3.47Å; E167-L170 PolarHBondContact O-N 2.92Å; L170-V239 HydrophobicContact CD1-CG2 3.43Å; L170-V239 VanDerWaalsContact CD1-CG2 3.43Å; L170-R266 VanDerWaalsContact CA-NH2 3.27Å; L170-R266 PolarHBondContact O-NH2 3.3Å; L170-V286 HydrophobicContact CD2-CG2 3.67Å; L170-V286 HydrophobicContact CG-CG2 3.75Å
171L97.3Very high97Very high4 Ų44.3 Ų4.32%0.0213%0.026CC..Hα-helixtrans-76.8-20.9178.5-72.9163.3000112.9F5 Y7 D11 F12 S27 L29 M108 E167F5-L171 HydrophobicContact CE1-CD1 4.09Å; F5-L171 HydrophobicContact CZ-CD1 4.47Å; F5-L171 HydrophobicContact CZ-CD2 4.31Å; Y7-L171 HydrophobicContact CD1-CD1 4.14Å; Y7-L171 HydrophobicContact CD2-CD1 3.61Å; Y7-L171 HydrophobicContact CD2-CD2 3.9Å; Y7-L171 HydrophobicContact CD2-CG 4.23Å; Y7-L171 HydrophobicContact CE1-CD1 4.37Å; Y7-L171 HydrophobicContact CE2-CD1 3.84Å; Y7-L171 HydrophobicContact CG-CD1 3.76Å; Y7-L171 HydrophobicContact CG-CD2 4.09Å; D11-L171 HydrophobicContact CB-CD2 3.63Å; F12-L171 HydrophobicContact CD1-CD2 3.78Å; F12-L171 HydrophobicContact CD1-CG 3.92Å; F12-L171 HydrophobicContact CE1-CD2 4.08Å; F12-L171 HydrophobicContact CE1-CG 4.04Å; S27-L171 WeakPolarHBondContact CB-O 3.3Å; S27-L171 PolarHBondContact OG-O 2.81Å; L29-L171 HydrophobicContact CB-CB 4.14Å; L29-L171 HydrophobicContact CD2-CB 3.61Å; L29-L171 HydrophobicContact CD2-CD1 4.48Å; L29-L171 HydrophobicContact CG-CB 4.49Å; M108-L171 HydrophobicContact SD-CD1 4.34Å; E167-L171 WeakPolarHBondContact O-CB 3.35Å; E167-L171 WeakPolarHBondContact O-CD1 3.48Å; E167-L171 WeakPolarHBondContact O-CG 3.33Å; E167-L171 PolarHBondContact O-N 2.87Å
172S96.6Very high97.1Very high0 Ų04.8 Ų4.80%03%0.029CC..  trans-78.2136.8175.1-1760000110.9D30 S168 S174 F177 R266D30-S172 VanDerWaalsContact CG-OG 3.28Å; D30-S172 WeakPolarHBondContact OD1-CB 3.34Å; D30-S172 PolarHBondContact OD1-OG 3.19Å; D30-S172 PolarHBondContact OD2-OG 3.14Å; S168-S172 PolarHBondContact O-N 3.35Å; S172-S174 VanDerWaalsContact C-N 3.31Å; S172-S174 PolarHBondContact OG-N 3.01Å; S172-S174 VanDerWaalsContact OG-N 3.08Å; S172-S174 PolarHBondContact OG-O 2.75Å; S172-F177 WeakPolarHBondContact OG-CB 3.34Å; S172-R266 PolarHBondContact O-NH2 3.25Å
173S94.1Very high97.1Very high7 Ų74.6 Ų4.65%0.0493%0.028CC..SBendtrans-87.1-5.2169.575.90000112.5P25 S27 D30P25-S173 PolarHBondContact O-OG 3.21Å; S27-S173 PolarHBondContact N-OG 3.04Å; S27-S173 VanDerWaalsContact N-OG 3.14Å; D30-S173 PolarHBondContact OD2-N 2.9Å; D30-S173 PolarHBondContact OD2-OG 3.32Å
174S93.1Very high97Very high23 Ų233.4 Ų3.416%0.1612%0.022CC..  trans-90.7125.3175.3-176.30000111.3S172 G176 F177S172-S174 VanDerWaalsContact C-N 3.31Å; S172-S174 PolarHBondContact OG-N 3.01Å; S172-S174 VanDerWaalsContact OG-N 3.08Å; S172-S174 PolarHBondContact OG-O 2.75Å; S174-G176 PolarHBondContact O-N 2.93Å; S174-G176 PolarHBondContact OG-N 2.83Å; S174-F177 PolarHBondContact O-N 2.86Å
175P92.3Very high96.9Very high8 Ų83.2 Ų3.25%0.0522%0.021CC..THydrogen-bonded Turntrans-65.8-18.9172.227.2-32.8000112.6V16V16-P175 HydrophobicContact CG1-CB 3.63Å; V16-P175 HydrophobicContact CG1-CG 3.97Å
176G94.6Very high96.8Very high3 Ų33.1 Ų3.13%0.0312%0.021CC..THydrogen-bonded Turntrans-88.8-2.9-179.500000114.2S174 Y199 L200S174-G176 PolarHBondContact O-N 2.93Å; S174-G176 PolarHBondContact OG-N 2.83Å; G176-Y199 CarbonylContact O-C 3.56Å; G176-Y199 WeakPolarHBondContact O-CA 3.21Å; G176-L200 VanDerWaalsContact CA-O 3.31Å; G176-L200 WeakPolarHBondContact CA-O 3.4Å; G176-L200 PolarHBondContact O-N 3.28Å
177F97.7Very high96.5Very high1 Ų14.5 Ų4.50%0.0043%0.026CC..EExtended strand (participates in β ladder)trans-76.7126.1171.6-173.6-113.2000109.9L29 I33 S172 S174 V179 Y198 Y199L29-F177 HydrophobicContact CD2-CE1 4.27Å; I33-F177 HydrophobicContact CD1-CE2 3.83Å; I33-F177 HydrophobicContact CD1-CZ 3.75Å; S172-F177 WeakPolarHBondContact OG-CB 3.34Å; S174-F177 PolarHBondContact O-N 2.86Å; F177-V179 HydrophobicContact CE1-CG2 3.91Å; F177-V179 HydrophobicContact CZ-CG2 4.28Å; F177-Y198 WeakPolarHBondContact CA-O 3.46Å; F177-Y198 WeakPolarHBondContact CD2-O 3.35Å; F177-Y199 HydrophobicContact CB-CD1 3.84Å; F177-Y199 HydrophobicContact CB-CE1 3.6Å; F177-Y199 AromaticContact CD2-CD1 3.94Å; F177-Y199 HydrophobicContact CD2-CD1 3.94Å; F177-Y199 HydrophobicContact CD2-CD2 4.01Å; F177-Y199 AromaticContact CD2-CE1 3.57Å; F177-Y199 HydrophobicContact CD2-CE1 3.57Å; F177-Y199 AromaticContact CD2-CE2 3.64Å; F177-Y199 HydrophobicContact CD2-CE2 3.64Å; F177-Y199 HydrophobicContact CD2-CG 4.13Å; F177-Y199 AromaticContact CD2-CZ 3.37Å; F177-Y199 AromaticContact CE2-CE2 3.98Å; F177-Y199 HydrophobicContact CE2-CE2 3.98Å; F177-Y199 AromaticContact CE2-CZ 3.99Å; F177-Y199 HydrophobicContact CG-CD1 4.36Å; F177-Y199 AromaticContact CG-CE1 3.9Å; F177-Y199 HydrophobicContact CG-CE1 3.9Å
178R98.3Very high96.3Very high1 Ų14.6 Ų4.60%0.0043%0.027CC..EExtended strand (participates in β ladder)trans-132.5147.2-173.6-53.3-164.3-176.2112.65110.5G197 Y198 H202 L204 E207 F263 L264 T265R178-G197 CarbonylContact O-C 3.59Å; R178-G197 VanDerWaalsContact O-CA 3.28Å; R178-G197 WeakPolarHBondContact O-CA 3.46Å; R178-Y198 HydrophobicContact CB-CE1 4.19Å; R178-Y198 PolarHBondContact N-O 2.74Å; R178-Y198 PolarHBondContact O-N 3.16Å; R178-H202 PolarHBondContact NH2-O 3.45Å; R178-L204 VanDerWaalsContact CZ-CD1 3.5Å; R178-L204 VanDerWaalsContact NH1-CD1 3.28Å; R178-E207 IonicContact CZ-OE1 3.68Å; R178-E207 IonicContact NE-OE1 2.63Å; R178-E207 IonicContact NH2-OE1 3.88Å; R178-E207 PolarHBondContact NH2-OE1 2.86Å; R178-F263 HydrophobicContact CB-CE2 4.39Å; R178-F263 HydrophobicContact CB-CZ 4.17Å; R178-F263 HydrophobicContact CG-CZ 4.24Å; R178-L264 WeakPolarHBondContact CA-O 3.45Å; R178-T265 PolarHBondContact NE-OG1 3.4Å
179V98.8Very high96Very high0 Ų05.7 Ų5.70%04%0.035CC..EExtended strand (participates in β ladder)trans-119.2148.7174.9176.10000109V169 F177 L195 H196 L264V169-V179 HydrophobicContact CG2-CB 4.04Å; V169-V179 HydrophobicContact CG2-CG2 3.8Å; F177-V179 HydrophobicContact CE1-CG2 3.91Å; F177-V179 HydrophobicContact CZ-CG2 4.28Å; V179-L195 HydrophobicContact CG1-CB 3.92Å; V179-L195 HydrophobicContact CG1-CD1 4.08Å; V179-L195 HydrophobicContact CG1-CG 4.5Å; V179-H196 CarbonylContact C-O 3.5Å; V179-H196 WeakPolarHBondContact CA-O 3.35Å; V179-H196 WeakPolarHBondContact CG1-O 3.33Å; V179-L264 HydrophobicContact CB-CB 4.17Å; V179-L264 PolarHBondContact N-O 3.13Å; V179-L264 PolarHBondContact O-N 2.67Å
180G98.4Very high95.8Very high0 Ų06.3 Ų6.30%04%0.039CC..EExtended strand (participates in β ladder)trans-158.8168.7172.700000114.2L195 H196 L262G180-L195 CarbonylContact O-C 3.6Å; G180-L195 WeakPolarHBondContact O-CA 3.28Å; G180-H196 PolarHBondContact N-O 2.99Å; G180-H196 PolarHBondContact O-N 3.01Å; G180-L262 CarbonylContact C-O 3.59Å; G180-L262 WeakPolarHBondContact CA-O 3.42Å
181F98.8Very high95.8Very high1 Ų16.3 Ų6.30%0.0044%0.039CC..EExtended strand (participates in β ladder)trans-136.6143.8-178.3172.3-96.4000110.6Q155 L157 S183 L193 L195 H260 N261 L262Q155-F181 HydrophobicContact CG-CE2 3.95Å; Q155-F181 HydrophobicContact CG-CZ 4.17Å; L157-F181 HydrophobicContact CD1-CB 4.37Å; L157-F181 HydrophobicContact CD1-CD1 3.55Å; L157-F181 HydrophobicContact CD1-CD2 4.41Å; L157-F181 HydrophobicContact CD1-CE1 3.8Å; L157-F181 HydrophobicContact CD1-CG 3.88Å; L157-F181 HydrophobicContact CD1-CZ 4.34Å; L157-F181 HydrophobicContact CD2-CB 4.28Å; L157-F181 HydrophobicContact CD2-CD1 4.3Å; L157-F181 HydrophobicContact CD2-CD2 3.65Å; L157-F181 HydrophobicContact CD2-CE2 3.95Å; L157-F181 HydrophobicContact CD2-CG 3.83Å; L157-F181 HydrophobicContact CD2-CZ 4.4Å; L157-F181 HydrophobicContact CG-CD1 3.81Å; L157-F181 HydrophobicContact CG-CD2 3.88Å; L157-F181 HydrophobicContact CG-CE1 3.75Å; L157-F181 HydrophobicContact CG-CE2 3.82Å; L157-F181 HydrophobicContact CG-CG 3.86Å; L157-F181 HydrophobicContact CG-CZ 3.76Å; F181-S183 VanDerWaalsContact CE1-N 3.34Å; F181-L193 HydrophobicContact CE2-CD1 3.89Å; F181-L195 HydrophobicContact CB-CD2 3.74Å; F181-L195 HydrophobicContact CD2-CD2 4.03Å; F181-L195 HydrophobicContact CG-CD2 4.29Å; F181-H260 AromaticContact CE1-NE2 3.73Å; F181-N261 WeakPolarHBondContact O-CA 3.42Å; F181-L262 HydrophobicContact CB-CB 4.18Å; F181-L262 HydrophobicContact CD1-CD1 4.26Å; F181-L262 PolarHBondContact N-O 2.94Å; F181-L262 PolarHBondContact O-N 3.26Å
182N98.3Very high95.8Very high10 Ų106.1 Ų6.15%0.0534%0.038CC..EExtended strand (participates in β ladder)trans-117.5126.5167.6-57.1-53.1000107Q155 A186 A188 N261 L309Q155-N182 PolarHBondContact NE2-O 2.82Å; N182-A186 WeakPolarHBondContact CB-O 3.48Å; N182-A188 HydrophobicContact CB-CB 4.17Å; N182-A188 WeakPolarHBondContact O-CB 3.45Å; N182-N261 PolarHBondContact OD1-ND2 3.38Å; N182-L309 WeakPolarHBondContact OD1-CB 3.19Å; N182-L309 WeakPolarHBondContact OD1-CD2 3.35Å; N182-L309 PolarHBondContact OD1-N 3.03Å
183S98.2Very high95.9Very high1 Ų16.1 Ų6.11%0.0074%0.038CC..  trans-71.3163.8168.379.20000110.6F181 A186 A188 H260F181-S183 VanDerWaalsContact CE1-N 3.34Å; S183-A186 WeakPolarHBondContact O-CA 3.31Å; S183-A186 WeakPolarHBondContact O-CB 3.26Å; S183-A186 PolarHBondContact O-N 2.91Å; S183-A186 VanDerWaalsContact OG-CB 3.31Å; S183-A186 WeakPolarHBondContact OG-CB 3.38Å; S183-A188 WeakPolarHBondContact O-CB 3.18Å; S183-A188 PolarHBondContact O-N 3.07Å; S183-H260 WeakPolarHBondContact CB-O 3.09Å; S183-H260 PolarHBondContact N-O 3.33Å; S183-H260 PolarHBondContact OG-N 3.39Å; S183-H260 PolarHBondContact OG-O 2.83Å
184L95.9Very high96.1Very high0 Ų06.1 Ų6.10%04%0.037CC..THydrogen-bonded Turntrans-54.7140.6158.7-62.9-167.7000109.3I82 Q87 Q155 A186 A188 N191I82-L184 HydrophobicContact CD1-CD2 3.68Å; I82-L184 HydrophobicContact CG1-CD2 4.07Å; I82-L184 HydrophobicContact CG2-CB 3.76Å; I82-L184 HydrophobicContact CG2-CD1 4.38Å; I82-L184 HydrophobicContact CG2-CD2 4.4Å; I82-L184 HydrophobicContact CG2-CG 4.39Å; Q87-L184 HydrophobicContact CB-CD1 3.74Å; Q155-L184 HydrophobicContact CB-CD2 3.83Å; Q155-L184 HydrophobicContact CB-CG 3.99Å; Q155-L184 HydrophobicContact CG-CD2 4.18Å; Q155-L184 HydrophobicContact CG-CG 4.48Å; L184-A186 PolarHBondContact O-N 2.82Å; L184-A188 HydrophobicContact CD2-CB 3.97Å; L184-N191 HydrophobicContact CD1-CB 4.33Å; L184-N191 HydrophobicContact CD2-CB 4.13Å
185G94.4Very high96.4Very high1 Ų15.3 Ų5.31%0.013%0.031CC..THydrogen-bonded Turntrans77.5-8.3-171.100000115.1C296G185-C296 PolarHBondContact O-N 2.85Å
186A95.7Very high96.7Very high0 Ų06 Ų60%03%0.033CC..THydrogen-bonded Turntrans-117.236.3178.500000112.8N182 S183 L184 A259 H260 N261 R293N182-A186 WeakPolarHBondContact CB-O 3.48Å; S183-A186 WeakPolarHBondContact O-CA 3.31Å; S183-A186 WeakPolarHBondContact O-CB 3.26Å; S183-A186 PolarHBondContact O-N 2.91Å; S183-A186 VanDerWaalsContact OG-CB 3.31Å; S183-A186 WeakPolarHBondContact OG-CB 3.38Å; L184-A186 PolarHBondContact O-N 2.82Å; A186-A259 HydrophobicContact CB-CB 4.12Å; A186-H260 WeakPolarHBondContact CB-O 3.49Å; A186-N261 PolarHBondContact O-ND2 3.14Å; A186-R293 HydrophobicContact CB-CG 4.47Å
187F92.9Very high96.9Very high28 Ų285.8 Ų5.812%0.1233%0.032CC..THydrogen-bonded Turntrans69.218-176.5-65.9-81.9000116.9S189 R293 N306 V307 A308 Y339F187-S189 PolarHBondContact O-N 3.2Å; F187-R293 VanDerWaalsContact CD2-NH1 3.35Å; F187-N306 HydrophobicContact CD1-CB 4.03Å; F187-N306 HydrophobicContact CE1-CB 3.93Å; F187-N306 HydrophobicContact CZ-CB 4.36Å; F187-V307 WeakPolarHBondContact CD2-O 3.5Å; F187-V307 HydrophobicContact CE2-CB 4.4Å; F187-V307 WeakPolarHBondContact CE2-O 3.33Å; F187-A308 HydrophobicContact CB-CB 3.9Å; F187-Y339 HydrophobicContact CE2-CD1 4.13Å; F187-Y339 AromaticContact CE2-CE1 3.89Å; F187-Y339 HydrophobicContact CE2-CE1 3.89Å; F187-Y339 AromaticContact CZ-CE1 3.81Å; F187-Y339 HydrophobicContact CZ-CE1 3.81Å
188A94.1Very high96.9Very high3 Ų35.8 Ų5.83%0.0253%0.032CC..  trans-56.7139.5158.800000110.3I82 Q155 N182 S183 L184I82-A188 WeakPolarHBondContact CD1-O 3.4Å; Q155-A188 HydrophobicContact CG-CB 3.97Å; N182-A188 HydrophobicContact CB-CB 4.17Å; N182-A188 WeakPolarHBondContact O-CB 3.45Å; S183-A188 WeakPolarHBondContact O-CB 3.18Å; S183-A188 PolarHBondContact O-N 3.07Å; L184-A188 HydrophobicContact CD2-CB 3.97Å
189S91Very high96.9Very high26 Ų266.6 Ų6.618%0.1824%0.035CC..  trans-106.4-15.6-178.9-58.20000114.1R76 Q80 F187R76-S189 PolarHBondContact NH2-OG 2.8Å; Q80-S189 PolarHBondContact N-O 2.87Å; Q80-S189 VanDerWaalsContact N-O 3.07Å; F187-S189 PolarHBondContact O-N 3.2Å
190V94.6Very high96.8Very high12 Ų126.7 Ų6.77%0.0734%0.035CC..SBendtrans-134.9128.3-176.4179.90000107.6F94 F96 H192F94-V190 HydrophobicContact CD1-CG1 4.08Å; F94-V190 HydrophobicContact CD1-CG2 3.9Å; F94-V190 HydrophobicContact CE1-CG1 4.41Å; F94-V190 HydrophobicContact CE1-CG2 4.15Å; F96-V190 HydrophobicContact CE2-CG1 4.16Å; F96-V190 HydrophobicContact CZ-CB 4.41Å; F96-V190 HydrophobicContact CZ-CG1 4.29Å; V190-H192 VanDerWaalsContact C-N 3.3Å; V190-H192 HydrophobicContact CG1-CB 3.97Å; V190-H192 PolarHBondContact O-N 3.19Å
191N96.8Very high96.5Very high3 Ų39.6 Ų9.62%0.0165%0.051CC..SBendtrans-84.774.9169.6-170.117.7000110.6Q87 E88 F89 P154 Q155 L184Q87-N191 PolarHBondContact O-ND2 3.43Å; E88-N191 VanDerWaalsContact C-ND2 3.26Å; E88-N191 PolarHBondContact O-ND2 2.93Å; F89-N191 VanDerWaalsContact CD2-O 3.22Å; F89-N191 WeakPolarHBondContact CD2-O 3.29Å; P154-N191 WeakPolarHBondContact CA-OD1 3.44Å; Q155-N191 PolarHBondContact N-OD1 3.28Å; L184-N191 HydrophobicContact CD1-CB 4.33Å; L184-N191 HydrophobicContact CD2-CB 4.13Å
192H98Very high96.3Very high0 Ų012.5 Ų12.50%06%0.064CC..SBendtrans-158119.1169.8-173.8172.9000105.9F89 N95 F96 P149 L153 Q155 V190 H194F89-H192 HydrophobicContact CD2-CB 4.3Å; F89-H192 HydrophobicContact CE2-CB 3.98Å; F89-H192 AromaticContact CE2-CG 3.85Å; F89-H192 AromaticContact CE2-ND1 3.97Å; N95-H192 HydrophobicContact CB-CB 4.3Å; F96-H192 HydrophobicContact CD2-CB 3.92Å; F96-H192 AromaticContact CD2-CG 3.78Å; F96-H192 AromaticContact CD2-ND1 3.7Å; F96-H192 HydrophobicContact CE2-CB 4.16Å; F96-H192 PolarHBondContact N-ND1 3.41Å; P149-H192 PolarHBondContact O-CE1 3Å; P149-H192 VanDerWaalsContact O-CE1 3.28Å; P149-H192 PolarHBondContact O-NE2 3.13Å; L153-H192 CarbonylContact O-C 3.5Å; L153-H192 WeakPolarHBondContact O-CA 3.37Å; L153-H192 PolarHBondContact O-CD2 3.41Å; Q155-H192 PolarHBondContact OE1-O 3.08Å; V190-H192 VanDerWaalsContact C-N 3.3Å; V190-H192 HydrophobicContact CG1-CB 3.97Å; V190-H192 PolarHBondContact O-N 3.19Å; H192-H194 PolarHBondContact O-N 3.09Å; H192-H194 VanDerWaalsContact O-N 3.13Å; H192-H194 PolarHBondContact O-ND1 3.27Å
193L98.5Very high96.1Very high0 Ų015.6 Ų15.60%08%0.079CC..  trans-46117.8-171.3-174.252000112.8V146 P147 L153 P154 I156 L157 T158 A161 F181V146-L193 WeakPolarHBondContact CG1-O 3.45Å; P147-L193 HydrophobicContact CB-CD2 4.44Å; P147-L193 WeakPolarHBondContact CD-O 3.45Å; P147-L193 HydrophobicContact CG-CD2 3.79Å; P147-L193 HydrophobicContact CG-CG 3.84Å; L153-L193 HydrophobicContact CB-CB 3.82Å; L153-L193 HydrophobicContact CB-CD2 4.22Å; L153-L193 HydrophobicContact CD1-CD2 3.91Å; L153-L193 PolarHBondContact O-N 2.82Å; P154-L193 WeakPolarHBondContact O-CB 3.28Å; I156-L193 VanDerWaalsContact O-CD1 3.28Å; I156-L193 WeakPolarHBondContact O-CD1 3.41Å; I156-L193 WeakPolarHBondContact O-CD2 3.43Å; L157-L193 HydrophobicContact CD2-CD1 4.47Å; T158-L193 HydrophobicContact CG2-CD2 3.94Å; A161-L193 HydrophobicContact CB-CD2 4.07Å; F181-L193 HydrophobicContact CE2-CD1 3.89Å
194H98.6Very high96Very high8 Ų815.6 Ų15.64%0.0378%0.078CC..  trans-150.1148.1173.361.4-68.1000111.5F96 L145 V146 Q155 H192 H196F96-H194 HydrophobicContact CD2-CB 4.47Å; F96-H194 HydrophobicContact CE2-CB 3.65Å; F96-H194 AromaticContact CE2-CG 3.56Å; F96-H194 AromaticContact CE2-ND1 3.52Å; F96-H194 HydrophobicContact CZ-CB 4.11Å; F96-H194 AromaticContact CZ-CG 3.75Å; F96-H194 AromaticContact CZ-ND1 3.89Å; L145-H194 CarbonylContact O-C 3.42Å; L145-H194 VanDerWaalsContact O-CA 3.29Å; L145-H194 WeakPolarHBondContact O-CA 3.49Å; V146-H194 HydrophobicContact CG2-CB 4.12Å; Q155-H194 PolarHBondContact NE2-O 2.64Å; Q155-H194 VanDerWaalsContact NE2-O 3.1Å; Q155-H194 PolarHBondContact OE1-CE1 3.17Å; Q155-H194 PolarHBondContact OE1-ND1 3.31Å; H192-H194 PolarHBondContact O-N 3.09Å; H192-H194 VanDerWaalsContact O-N 3.13Å; H192-H194 PolarHBondContact O-ND1 3.27Å; H194-H196 AromaticContact CD2-NE2 3.79Å; H194-H196 AromaticContact NE2-NE2 3.68Å
195L98.8Very high96Very high5 Ų518 Ų183%0.0269%0.089CC..EExtended strand (participates in β ladder)trans-104.7155.6164.6-48.5165.9000109L144 L145 L157 A161 V179 G180 F181L144-L195 CarbonylContact C-O 3.57Å; L144-L195 VanDerWaalsContact CA-O 3.28Å; L144-L195 WeakPolarHBondContact CA-O 3.37Å; L145-L195 HydrophobicContact CB-CB 4.15Å; L145-L195 PolarHBondContact N-O 3.27Å; L145-L195 PolarHBondContact O-N 3.42Å; L157-L195 HydrophobicContact CD2-CD2 3.66Å; A161-L195 WeakPolarHBondContact O-CD1 3.37Å; V179-L195 HydrophobicContact CG1-CB 3.92Å; V179-L195 HydrophobicContact CG1-CD1 4.08Å; V179-L195 HydrophobicContact CG1-CG 4.5Å; G180-L195 CarbonylContact O-C 3.6Å; G180-L195 WeakPolarHBondContact O-CA 3.28Å; F181-L195 HydrophobicContact CB-CD2 3.74Å; F181-L195 HydrophobicContact CD2-CD2 4.03Å; F181-L195 HydrophobicContact CG-CD2 4.29Å
196H98.8Very high96Very high22 Ų2218.4 Ų18.410%0.1029%0.091CC..EExtended strand (participates in β ladder)trans-95.6138170.1-67.8-94.7000109.3H142 L144 V179 G180 H194 L309H142-H196 AromaticContact CE1-ND1 3.72Å; H142-H196 AromaticContact NE2-CE1 3.9Å; H142-H196 AromaticContact NE2-CG 3.85Å; H142-H196 AromaticContact NE2-ND1 2.93Å; H142-H196 PolarHBondContact NE2-ND1 3.08Å; L144-H196 WeakPolarHBondContact CD2-ND1 3.39Å; V179-H196 CarbonylContact C-O 3.5Å; V179-H196 WeakPolarHBondContact CA-O 3.35Å; V179-H196 WeakPolarHBondContact CG1-O 3.33Å; G180-H196 PolarHBondContact N-O 2.99Å; G180-H196 PolarHBondContact O-N 3.01Å; H194-H196 AromaticContact CD2-NE2 3.79Å; H194-H196 AromaticContact NE2-NE2 3.68Å; H196-L309 HydrophobicContact CB-CD2 4.38Å
197G98.6Very high96Very high0 Ų018.7 Ų18.70%09%0.092CC..EExtended strand (participates in β ladder)trans-122.6139.2166.500000110H142 C143 R178H142-G197 CarbonylContact C-O 3.57Å; H142-G197 VanDerWaalsContact CA-O 3.24Å; H142-G197 WeakPolarHBondContact CA-O 3.25Å; H142-G197 PolarHBondContact CD2-O 3.16Å; C143-G197 PolarHBondContact N-O 3.12Å; C143-G197 PolarHBondContact O-N 2.86Å; R178-G197 CarbonylContact O-C 3.59Å; R178-G197 VanDerWaalsContact O-CA 3.28Å; R178-G197 WeakPolarHBondContact O-CA 3.46Å
198Y98.6Very high96Very high0 Ų018.5 Ų18.50%09%0.094CC..EExtended strand (participates in β ladder)trans-160.9164.2175.768.4-81.4000111.9L138 E139 F177 R178 L200 F263 L309 H315L138-Y198 HydrophobicContact CD1-CD2 3.89Å; L138-Y198 HydrophobicContact CD1-CE2 4.02Å; L138-Y198 HydrophobicContact CD1-CG 4.23Å; L138-Y198 HydrophobicContact CD2-CD1 4.12Å; L138-Y198 HydrophobicContact CD2-CE1 4.38Å; L138-Y198 HydrophobicContact CD2-CG 4.28Å; L138-Y198 HydrophobicContact CG-CG 4.45Å; E139-Y198 HydrophobicContact CB-CD2 4.12Å; E139-Y198 HydrophobicContact CG-CD2 4.35Å; F177-Y198 WeakPolarHBondContact CA-O 3.46Å; F177-Y198 WeakPolarHBondContact CD2-O 3.35Å; R178-Y198 HydrophobicContact CB-CE1 4.19Å; R178-Y198 PolarHBondContact N-O 2.74Å; R178-Y198 PolarHBondContact O-N 3.16Å; Y198-L200 HydrophobicContact CD2-CB 4.22Å; Y198-L200 HydrophobicContact CE2-CB 3.85Å; Y198-F263 HydrophobicContact CE1-CE2 4.38Å; Y198-F263 VanDerWaalsContact OH-CE2 3.28Å; Y198-F263 WeakPolarHBondContact OH-CE2 3.4Å; Y198-L309 HydrophobicContact CE1-CD1 4.37Å; Y198-H315 AromaticContact CE2-ND1 3.66Å; Y198-H315 AromaticContact CZ-ND1 3.98Å
199Y97.8Very high96Very high19 Ų1918.7 Ų18.78%0.07510%0.095CC..EExtended strand (participates in β ladder)trans-108121.6176.7-65.9-89.8000111.3D30 I33 R34 E139 F140 G176 F177D30-Y199 VanDerWaalsContact CA-OH 3.3Å; D30-Y199 WeakPolarHBondContact CA-OH 3.48Å; D30-Y199 VanDerWaalsContact OD1-CE1 3.3Å; D30-Y199 WeakPolarHBondContact OD1-CE1 3.41Å; D30-Y199 PolarHBondContact OD1-OH 3.07Å; I33-Y199 HydrophobicContact CB-CE2 4.3Å; I33-Y199 HydrophobicContact CG2-CE2 3.8Å; R34-Y199 HydrophobicContact CG-CE2 4.05Å; E139-Y199 WeakPolarHBondContact CG-O 3.45Å; F140-Y199 HydrophobicContact CD1-CD2 4.32Å; F140-Y199 PolarHBondContact O-N 3.05Å; G176-Y199 CarbonylContact O-C 3.56Å; G176-Y199 WeakPolarHBondContact O-CA 3.21Å; F177-Y199 HydrophobicContact CB-CD1 3.84Å; F177-Y199 HydrophobicContact CB-CE1 3.6Å; F177-Y199 AromaticContact CD2-CD1 3.94Å; F177-Y199 HydrophobicContact CD2-CD1 3.94Å; F177-Y199 HydrophobicContact CD2-CD2 4.01Å; F177-Y199 AromaticContact CD2-CE1 3.57Å; F177-Y199 HydrophobicContact CD2-CE1 3.57Å; F177-Y199 AromaticContact CD2-CE2 3.64Å; F177-Y199 HydrophobicContact CD2-CE2 3.64Å; F177-Y199 HydrophobicContact CD2-CG 4.13Å; F177-Y199 AromaticContact CD2-CZ 3.37Å; F177-Y199 AromaticContact CE2-CE2 3.98Å; F177-Y199 HydrophobicContact CE2-CE2 3.98Å; F177-Y199 AromaticContact CE2-CZ 3.99Å; F177-Y199 HydrophobicContact CG-CD1 4.36Å; F177-Y199 AromaticContact CG-CE1 3.9Å; F177-Y199 HydrophobicContact CG-CE1 3.9Å
200L96.7Very high96.1Very high2 Ų219.2 Ų19.21%0.0110%0.096CC..  trans-125.6117.1168.4171.774.9000109.3V65 G176 Y198 H202 L204 H315V65-L200 HydrophobicContact CG1-CD1 4.41Å; V65-L200 HydrophobicContact CG1-CD2 4.42Å; G176-L200 VanDerWaalsContact CA-O 3.31Å; G176-L200 WeakPolarHBondContact CA-O 3.4Å; G176-L200 PolarHBondContact O-N 3.28Å; Y198-L200 HydrophobicContact CD2-CB 4.22Å; Y198-L200 HydrophobicContact CE2-CB 3.85Å; L200-H202 HydrophobicContact CD1-CB 4.41Å; L200-H202 HydrophobicContact CD2-CB 4.37Å; L200-H202 HydrophobicContact CG-CB 4.14Å; L200-H202 PolarHBondContact O-N 3.21Å; L200-L204 HydrophobicContact CD2-CD1 4.48Å; L200-L204 HydrophobicContact CD2-CD2 4.16Å; L200-L204 HydrophobicContact CD2-CG 4.43Å; L200-H315 HydrophobicContact CD2-CB 3.99Å
201D92.8Very high96.2Very high60 Ų6018.7 Ų18.732%0.3219%0.093SC..  trans-86.146.4-177.3-162.2-2.3000112.6R20 R23R20-D201 IonicContact CZ-OD1 2.99Å; R20-D201 IonicContact CZ-OD2 3.35Å; R20-D201 IonicContact NE-OD1 3.09Å; R20-D201 PolarHBondContact NE-OD1 3.02Å; R20-D201 IonicContact NE-OD2 3.73Å; R20-D201 PolarHBondContact NE-OD2 3.35Å; R20-D201 IonicContact NH1-OD2 3.56Å; R20-D201 PolarHBondContact NH2-O 3Å; R20-D201 IonicContact NH2-OD1 3.66Å; R20-D201 PolarHBondContact NH2-OD1 2.89Å; R20-D201 IonicContact NH2-OD2 2.66Å; R20-D201 PolarHBondContact NH2-OD2 3.44Å; R23-D201 IonicContact CZ-OD1 2.64Å; R23-D201 VanDerWaalsContact CZ-OD1 3.24Å; R23-D201 IonicContact CZ-OD2 3.73Å; R23-D201 IonicContact NH1-OD1 3.92Å; R23-D201 PolarHBondContact NH1-OD1 3.35Å; R23-D201 IonicContact NH1-OD2 3.37Å; R23-D201 PolarHBondContact NH1-OD2 3.45Å; R23-D201 IonicContact NH2-OD1 2.71Å; R23-D201 PolarHBondContact NH2-OD1 3.47Å
202H94.6Very high96.1Very high63 Ų6324 Ų2429%0.29212%0.116SC..SBendtrans-138.3131.2175.3-72.5-87.3000108.7V65 R178 L200 L204V65-H202 HydrophobicContact CG1-CB 4.15Å; V65-H202 HydrophobicContact CG2-CB 3.7Å; R178-H202 PolarHBondContact NH2-O 3.45Å; L200-H202 HydrophobicContact CD1-CB 4.41Å; L200-H202 HydrophobicContact CD2-CB 4.37Å; L200-H202 HydrophobicContact CG-CB 4.14Å; L200-H202 PolarHBondContact O-N 3.21Å; H202-L204 PolarHBondContact O-N 3.13Å
203E93.3Very high96.1Very high75 Ų7527.4 Ų27.435%0.3514%0.138SC..  trans-62133.6173.4173.4171.1-143.100110.3Q18 H280 R283Q18-E203 PolarHBondContact NE2-OE1 3.03Å; Q18-E203 PolarHBondContact NE2-OE2 3.47Å; E203-H280 IonicContact OE1-CE1 2.93Å; E203-H280 PolarHBondContact OE1-CE1 2.9Å; E203-H280 IonicContact OE1-NE2 2.9Å; E203-H280 PolarHBondContact OE1-NE2 3.01Å; E203-H280 IonicContact OE2-CE1 3.96Å; E203-R283 IonicContact OE1-CZ 2.64Å; E203-R283 IonicContact OE1-NH2 3.6Å; E203-R283 PolarHBondContact OE1-NH2 3.34Å
204L95.9Very high96Very high1 Ų128.9 Ų28.91%0.00515%0.146CC..  trans-102.3144.8168.2-62.2-179.3000110.5V65 R178 L200 H202 I206 E207 F263 A313 H315V65-L204 HydrophobicContact CB-CD2 4.33Å; V65-L204 HydrophobicContact CG2-CD2 3.66Å; R178-L204 VanDerWaalsContact CZ-CD1 3.5Å; R178-L204 VanDerWaalsContact NH1-CD1 3.28Å; L200-L204 HydrophobicContact CD2-CD1 4.48Å; L200-L204 HydrophobicContact CD2-CD2 4.16Å; L200-L204 HydrophobicContact CD2-CG 4.43Å; H202-L204 PolarHBondContact O-N 3.13Å; L204-I206 HydrophobicContact CB-CG2 4Å; L204-I206 PolarHBondContact O-N 2.92Å; L204-I206 VanDerWaalsContact O-N 3.14Å; L204-E207 HydrophobicContact CB-CG 4.31Å; L204-E207 PolarHBondContact N-OE1 3.42Å; L204-E207 VanDerWaalsContact O-CB 3.3Å; L204-E207 WeakPolarHBondContact O-CB 3.37Å; L204-E207 VanDerWaalsContact O-CG 3.28Å; L204-E207 WeakPolarHBondContact O-CG 3.07Å; L204-E207 PolarHBondContact O-N 3.2Å; L204-F263 HydrophobicContact CD1-CE1 4.1Å; L204-F263 HydrophobicContact CD1-CZ 3.73Å; L204-A313 HydrophobicContact CD1-CB 4.04Å; L204-H315 HydrophobicContact CD1-CB 4.39Å; L204-H315 HydrophobicContact CD2-CB 4.37Å
205K94.9Very high95.9Very high50 Ų5028.7 Ų28.722%0.21715%0.145CC..G310 helixtrans-54.3-37.2179.6-178.9168.3174.1-1730112.9S61 N62 E207 S208 S209 D225S61-K205 PolarHBondContact O-NZ 2.93Å; N62-K205 HydrophobicContact CB-CD 4.28Å; N62-K205 PolarHBondContact OD1-NZ 2.87Å; K205-E207 PolarHBondContact O-N 2.95Å; K205-S208 CarbonylContact O-C 3.08Å; K205-S208 PolarHBondContact O-N 2.97Å; K205-S209 PolarHBondContact O-N 2.81Å; K205-S209 PolarHBondContact O-OG 3.32Å; K205-S209 VanDerWaalsContact O-OG 3.1Å; K205-D225 WeakPolarHBondContact CE-OD1 3.2Å; K205-D225 IonicContact NZ-OD1 3.88Å; K205-D225 PolarHBondContact NZ-OD1 3.47Å
206I95.5Very high95.6Very high10 Ų1032 Ų325%0.05117%0.166CC..G310 helixtrans-55.5-27.3179.9-167.157.2000113.8L204 S208 S209 I223 F263 T265 R287 A289 W291 A313L204-I206 HydrophobicContact CB-CG2 4Å; L204-I206 PolarHBondContact O-N 2.92Å; L204-I206 VanDerWaalsContact O-N 3.14Å; I206-S208 PolarHBondContact O-N 2.97Å; I206-S209 WeakPolarHBondContact CA-OG 3.18Å; I206-I223 HydrophobicContact CD1-CD1 3.71Å; I206-I223 HydrophobicContact CD1-CG1 4.43Å; I206-F263 HydrophobicContact CG2-CD1 4.19Å; I206-F263 HydrophobicContact CG2-CE1 3.99Å; I206-T265 HydrophobicContact CG2-CG2 4.27Å; I206-R287 WeakPolarHBondContact O-CD 3.4Å; I206-R287 PolarHBondContact O-NH1 3.32Å; I206-R287 VanDerWaalsContact O-NH1 3.1Å; I206-A289 HydrophobicContact CD1-CB 3.96Å; I206-A289 HydrophobicContact CG1-CB 3.91Å; I206-W291 HydrophobicContact CD1-CZ2 4.05Å; I206-W291 HydrophobicContact CG1-CH2 4.32Å; I206-W291 HydrophobicContact CG1-CZ2 4.26Å; I206-A313 HydrophobicContact CG2-CB 4.32Å
207E95.1Very high95.3Very high5 Ų538.3 Ų38.32%0.02320%0.196CC..G310 helixtrans-67.4-17.8179.4-54.2171.8-161.600112.9R178 L204 K205 T265 G267 C268 R283 R287R178-E207 IonicContact CZ-OE1 3.68Å; R178-E207 IonicContact NE-OE1 2.63Å; R178-E207 IonicContact NH2-OE1 3.88Å; R178-E207 PolarHBondContact NH2-OE1 2.86Å; L204-E207 HydrophobicContact CB-CG 4.31Å; L204-E207 PolarHBondContact N-OE1 3.42Å; L204-E207 VanDerWaalsContact O-CB 3.3Å; L204-E207 WeakPolarHBondContact O-CB 3.37Å; L204-E207 VanDerWaalsContact O-CG 3.28Å; L204-E207 WeakPolarHBondContact O-CG 3.07Å; L204-E207 PolarHBondContact O-N 3.2Å; K205-E207 PolarHBondContact O-N 2.95Å; E207-T265 HydrophobicContact CG-CG2 3.81Å; E207-G267 VanDerWaalsContact O-CA 3.25Å; E207-G267 WeakPolarHBondContact O-CA 3.17Å; E207-C268 PolarHBondContact O-N 2.98Å; E207-R283 IonicContact OE2-CZ 3.46Å; E207-R283 IonicContact OE2-NH1 3.22Å; E207-R283 PolarHBondContact OE2-NH1 3.23Å; E207-R283 IonicContact OE2-NH2 3.22Å; E207-R287 WeakPolarHBondContact O-CD 3.35Å; E207-R287 PolarHBondContact O-NE 3.1Å
208S93.3Very high95.1Very high25 Ų2540.3 Ų40.318%0.17521%0.205CC..THydrogen-bonded Turntrans-138.25.217959.70000115.5K205 I206 H280 R287K205-S208 CarbonylContact O-C 3.08Å; K205-S208 PolarHBondContact O-N 2.97Å; I206-S208 PolarHBondContact O-N 2.97Å; S208-H280 VanDerWaalsContact CB-CD2 3.41Å; S208-H280 WeakPolarHBondContact CB-CD2 3.41Å; S208-H280 WeakPolarHBondContact CB-NE2 3.25Å; S208-H280 PolarHBondContact OG-NE2 2.76Å; S208-R287 VanDerWaalsContact C-NH1 3.25Å
209S93.1Very high94.9Very high6 Ų642.4 Ų42.44%0.04222%0.216CC..  trans-47.7144.5175.9-67.90000113K205 I206 D225 R287K205-S209 PolarHBondContact O-N 2.81Å; K205-S209 PolarHBondContact O-OG 3.32Å; K205-S209 VanDerWaalsContact O-OG 3.1Å; I206-S209 WeakPolarHBondContact CA-OG 3.18Å; S209-D225 WeakPolarHBondContact CA-OD2 3.44Å; S209-R287 VanDerWaalsContact N-NH1 3.11Å; S209-R287 PolarHBondContact O-NH1 3.28Å
210L94.1Very high94.9Very high37 Ų3741.5 Ų41.519%0.19421%0.212CC..  trans-70.3142.4174.4-68.1-178.1000110.7Q224 D225 M274L210-Q224 HydrophobicContact CB-CB 4.27Å; L210-Q224 PolarHBondContact O-N 3.09Å; L210-D225 PolarHBondContact N-OD2 2.9Å; L210-M274 HydrophobicContact CD1-CE 3.86Å; L210-M274 HydrophobicContact CD2-CE 3.43Å; L210-M274 VanDerWaalsContact CD2-CE 3.43Å; L210-M274 HydrophobicContact CG-CE 3.54Å
211V96Very high95Very high2 Ų242.4 Ų42.41%0.01222%0.216CC..EExtended strand (participates in β ladder)trans-136.5150.5-179.9-55.60000112.6F221 R222 I223 L231 P270 S271 G272V211-F221 HydrophobicContact CB-CB 3.82Å; V211-F221 HydrophobicContact CB-CD1 4.5Å; V211-F221 HydrophobicContact CB-CG 4.36Å; V211-F221 HydrophobicContact CG1-CB 4.49Å; V211-F221 HydrophobicContact CG2-CB 3.88Å; V211-F221 HydrophobicContact CG2-CD1 3.72Å; V211-F221 HydrophobicContact CG2-CE1 4.49Å; V211-F221 HydrophobicContact CG2-CG 3.86Å; V211-R222 CarbonylContact C-O 3.25Å; V211-R222 WeakPolarHBondContact CA-O 3.41Å; V211-R222 WeakPolarHBondContact CB-O 3.11Å; V211-I223 HydrophobicContact CG1-CG1 4.45Å; V211-L231 HydrophobicContact CG1-CB 4.37Å; V211-L231 HydrophobicContact CG1-CD2 3.63Å; V211-P270 HydrophobicContact CG2-CB 3.66Å; V211-S271 PolarHBondContact N-O 2.86Å; V211-S271 VanDerWaalsContact N-O 3.17Å; V211-G272 WeakPolarHBondContact O-CA 3.44Å
212K96.2Very high95.2Very high114 Ų11441.5 Ų41.550%0.49621%0.208SC..EExtended strand (participates in β ladder)trans-107126.1173.3-178.3-172.7172.9-166.40109.1L214 F221 R222 Q224K212-L214 PolarHBondContact O-N 3.45Å; K212-F221 CarbonylContact O-C 3.51Å; K212-F221 WeakPolarHBondContact O-CA 3.36Å; K212-R222 PolarHBondContact N-O 2.8Å; K212-R222 PolarHBondContact O-N 3.28Å; K212-Q224 HydrophobicContact CB-CG 4.25Å
213P96.7Very high95.3Very high71 Ų7138.6 Ų38.646%0.46120%0.195SC..EExtended strand (participates in β ladder)trans-59.3136.1175-20.931.3000112.1P216 F221P213-P216 HydrophobicContact CB-CG 4.16Å; P213-F221 HydrophobicContact CB-CD1 3.99Å; P213-F221 HydrophobicContact CB-CE1 4.09Å; P213-F221 HydrophobicContact CG-CD1 3.98Å; P213-F221 HydrophobicContact CG-CE1 3.97Å
214L96.8Very high95.3Very high32 Ų3239.9 Ų39.917%0.16820%0.201CC..EExtended strand (participates in β ladder)trans-109.5-50.7171.7-64179.5000110.6K212 F220 R222 F230 E350 V354K212-L214 PolarHBondContact O-N 3.45Å; L214-F220 HydrophobicContact CB-CD1 3.96Å; L214-F220 HydrophobicContact CD1-CD1 3.96Å; L214-F220 HydrophobicContact CD1-CE1 3.77Å; L214-F220 PolarHBondContact N-O 2.93Å; L214-R222 HydrophobicContact CD1-CB 3.99Å; L214-R222 HydrophobicContact CD2-CB 4.09Å; L214-R222 HydrophobicContact CG-CB 4.05Å; L214-F230 HydrophobicContact CD1-CD1 3.83Å; L214-F230 HydrophobicContact CD1-CE1 4Å; L214-E350 HydrophobicContact CD1-CG 3.9Å; L214-E350 VanDerWaalsContact CD2-CD 3.43Å; L214-E350 HydrophobicContact CD2-CG 3.96Å; L214-E350 WeakPolarHBondContact CD2-OE1 3.38Å; L214-V354 HydrophobicContact CB-CG2 4.14Å
215I96.4Very high95.1Very high3 Ų341.5 Ų41.52%0.01521%0.21CC..EExtended strand (participates in β ladder)trans-133.591.3174.9-49.1174.8000107.5E217 K218 N219 F220 V354 L357 L358I215-E217 PolarHBondContact O-N 3.08Å; I215-K218 HydrophobicContact CB-CB 4.4Å; I215-K218 HydrophobicContact CG2-CB 4.06Å; I215-K218 HydrophobicContact CG2-CG 3.99Å; I215-K218 PolarHBondContact O-N 3.38Å; I215-K218 VanDerWaalsContact O-N 3.17Å; I215-N219 PolarHBondContact O-N 2.95Å; I215-F220 HydrophobicContact CB-CB 4.14Å; I215-F220 HydrophobicContact CD1-CD1 4.3Å; I215-F220 HydrophobicContact CG1-CD1 4.36Å; I215-F220 PolarHBondContact N-O 3.44Å; I215-F220 PolarHBondContact O-N 2.94Å; I215-V354 HydrophobicContact CG1-CG1 4.34Å; I215-V354 HydrophobicContact CG1-CG2 4.36Å; I215-L357 HydrophobicContact CD1-CB 3.5Å; I215-L357 HydrophobicContact CD1-CD1 3.84Å; I215-L357 HydrophobicContact CD1-CG 4.35Å; I215-L358 HydrophobicContact CD1-CG 4.38Å; I215-L358 HydrophobicContact CG2-CD2 4.07Å
216P92.7Very high94.9Very high74 Ų7441.1 Ų41.148%0.48121%0.208SC..G310 helixtrans-55.5-37.8-177.5-26.835.6000113.4P213 K218 N219P213-P216 HydrophobicContact CB-CG 4.16Å; P216-K218 PolarHBondContact O-N 3.48Å; P216-N219 PolarHBondContact O-N 3.02Å; P216-N219 VanDerWaalsContact O-N 3.09Å
217E92.4Very high94.9Very high155 Ų15541.1 Ų41.172%0.72421%0.209SC*.G310 helixtrans-67.5-23.2-177.1-57.275.8-165.200112.9I215I215-E217 PolarHBondContact O-N 3.08Å
218K93.9Very high94.9Very high43 Ų4342.5 Ų42.519%0.18722%0.217CC..G310 helixtrans-104.38.7176-62.8-161.4178.1-160.20112.7I215 P216 F220 T245 E248 L357 H360I215-K218 HydrophobicContact CB-CB 4.4Å; I215-K218 HydrophobicContact CG2-CB 4.06Å; I215-K218 HydrophobicContact CG2-CG 3.99Å; I215-K218 PolarHBondContact O-N 3.38Å; I215-K218 VanDerWaalsContact O-N 3.17Å; P216-K218 PolarHBondContact O-N 3.48Å; K218-F220 HydrophobicContact CB-CB 4.48Å; K218-F220 PolarHBondContact O-N 2.88Å; K218-T245 HydrophobicContact CB-CG2 4.28Å; K218-T245 HydrophobicContact CD-CG2 4.02Å; K218-E248 IonicContact NZ-OE2 2.66Å; K218-E248 PolarHBondContact NZ-OE2 2.9Å; K218-L357 WeakPolarHBondContact CE-O 3.45Å; K218-L357 PolarHBondContact NZ-O 3.35Å; K218-H360 PolarHBondContact NZ-OXT 2.79Å
219N95.5Very high95.1Very high44 Ų4441.3 Ų41.324%0.23521%0.209CC..THydrogen-bonded Turntrans48.542.1-171.8-71.9-42.8000112.3I215 P216 F221 L232 Y233I215-N219 PolarHBondContact O-N 2.95Å; P216-N219 PolarHBondContact O-N 3.02Å; P216-N219 VanDerWaalsContact O-N 3.09Å; N219-F221 HydrophobicContact CB-CE2 4.01Å; N219-F221 WeakPolarHBondContact O-CD2 3.46Å; N219-F221 WeakPolarHBondContact O-CE2 3.47Å; N219-L232 WeakPolarHBondContact O-CA 3.4Å; N219-Y233 WeakPolarHBondContact CB-O 3.49Å; N219-Y233 PolarHBondContact O-N 3.31Å
220F97.2Very high95.3Very high0 Ų041 Ų410%021%0.207CC..EExtended strand (participates in β ladder)trans-105.6126.4-178.3-169.2-119.7000111.2L214 I215 K218 F230 L232 V249 L353 L357L214-F220 HydrophobicContact CB-CD1 3.96Å; L214-F220 HydrophobicContact CD1-CD1 3.96Å; L214-F220 HydrophobicContact CD1-CE1 3.77Å; L214-F220 PolarHBondContact N-O 2.93Å; I215-F220 HydrophobicContact CB-CB 4.14Å; I215-F220 HydrophobicContact CD1-CD1 4.3Å; I215-F220 HydrophobicContact CG1-CD1 4.36Å; I215-F220 PolarHBondContact N-O 3.44Å; I215-F220 PolarHBondContact O-N 2.94Å; K218-F220 HydrophobicContact CB-CB 4.48Å; K218-F220 PolarHBondContact O-N 2.88Å; F220-F230 HydrophobicContact CE1-CD1 4.17Å; F220-F230 HydrophobicContact CE1-CG 4.5Å; F220-F230 HydrophobicContact CE2-CB 3.7Å; F220-F230 HydrophobicContact CE2-CG 4.24Å; F220-F230 HydrophobicContact CZ-CB 3.68Å; F220-F230 AromaticContact CZ-CD1 3.8Å; F220-F230 HydrophobicContact CZ-CD1 3.8Å; F220-F230 HydrophobicContact CZ-CD2 4.37Å; F220-F230 AromaticContact CZ-CG 3.68Å; F220-F230 HydrophobicContact CZ-CG 3.68Å; F220-L232 HydrophobicContact CD2-CD1 3.36Å; F220-L232 HydrophobicContact CD2-CG 3.85Å; F220-L232 HydrophobicContact CE2-CD1 3.66Å; F220-V249 HydrophobicContact CE2-CG2 4.11Å; F220-V249 HydrophobicContact CZ-CG2 4.2Å; F220-L353 HydrophobicContact CZ-CD1 4.46Å; F220-L357 HydrophobicContact CD1-CD1 3.99Å; F220-L357 HydrophobicContact CE1-CD1 3.99Å; F220-L357 HydrophobicContact CG-CD1 4.39Å; F220-L357 HydrophobicContact CZ-CD1 4.37Å
221F97.9Very high95.6Very high20 Ų2039.3 Ų39.39%0.08820%0.198CC..EExtended strand (participates in β ladder)trans-134.2157.3-171.2-49.9-97.6000112V211 K212 P213 N219 F230 L231 P270V211-F221 HydrophobicContact CB-CB 3.82Å; V211-F221 HydrophobicContact CB-CD1 4.5Å; V211-F221 HydrophobicContact CB-CG 4.36Å; V211-F221 HydrophobicContact CG1-CB 4.49Å; V211-F221 HydrophobicContact CG2-CB 3.88Å; V211-F221 HydrophobicContact CG2-CD1 3.72Å; V211-F221 HydrophobicContact CG2-CE1 4.49Å; V211-F221 HydrophobicContact CG2-CG 3.86Å; K212-F221 CarbonylContact O-C 3.51Å; K212-F221 WeakPolarHBondContact O-CA 3.36Å; P213-F221 HydrophobicContact CB-CD1 3.99Å; P213-F221 HydrophobicContact CB-CE1 4.09Å; P213-F221 HydrophobicContact CG-CD1 3.98Å; P213-F221 HydrophobicContact CG-CE1 3.97Å; N219-F221 HydrophobicContact CB-CE2 4.01Å; N219-F221 WeakPolarHBondContact O-CD2 3.46Å; N219-F221 WeakPolarHBondContact O-CE2 3.47Å; F221-F230 CarbonylContact O-C 3.44Å; F221-F230 WeakPolarHBondContact O-CA 3.45Å; F221-L231 HydrophobicContact CB-CB 4.39Å; F221-L231 PolarHBondContact N-O 2.76Å; F221-L231 PolarHBondContact O-N 3.05Å; F221-P270 HydrophobicContact CD1-CB 4.2Å; F221-P270 HydrophobicContact CD2-CB 4.28Å; F221-P270 HydrophobicContact CD2-CG 4.15Å; F221-P270 HydrophobicContact CE1-CB 3.81Å; F221-P270 HydrophobicContact CE1-CG 4.45Å; F221-P270 HydrophobicContact CE2-CB 3.86Å; F221-P270 HydrophobicContact CE2-CG 3.6Å; F221-P270 HydrophobicContact CG-CB 4.47Å; F221-P270 HydrophobicContact CZ-CB 3.63Å; F221-P270 HydrophobicContact CZ-CG 3.8Å
222R97.6Very high95.7Very high42 Ų4239.3 Ų39.316%0.15820%0.198CC..EExtended strand (participates in β ladder)trans-94.2130.8165.1-169.4-167.4179.686.3-4.6109.4V211 K212 L214 V228 E350V211-R222 CarbonylContact C-O 3.25Å; V211-R222 WeakPolarHBondContact CA-O 3.41Å; V211-R222 WeakPolarHBondContact CB-O 3.11Å; K212-R222 PolarHBondContact N-O 2.8Å; K212-R222 PolarHBondContact O-N 3.28Å; L214-R222 HydrophobicContact CD1-CB 3.99Å; L214-R222 HydrophobicContact CD2-CB 4.09Å; L214-R222 HydrophobicContact CG-CB 4.05Å; R222-V228 HydrophobicContact CG-CG1 4.48Å; R222-E350 WeakPolarHBondContact CD-OE2 3.5Å; R222-E350 WeakPolarHBondContact CG-OE2 3.47Å; R222-E350 IonicContact CZ-OE2 3.24Å; R222-E350 IonicContact NE-OE2 2.7Å; R222-E350 IonicContact NH1-OE2 3.75Å; R222-E350 PolarHBondContact NH1-OE2 3.1Å
223I96.9Very high95.7Very high1 Ų134.6 Ų34.61%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-72130171.5-57.6165.4000108.7I206 V211 D225 V228 G229 F230 L231 A289 W291I206-I223 HydrophobicContact CD1-CD1 3.71Å; I206-I223 HydrophobicContact CD1-CG1 4.43Å; V211-I223 HydrophobicContact CG1-CG1 4.45Å; I223-D225 HydrophobicContact CG2-CB 4.44Å; I223-D225 WeakPolarHBondContact CG2-O 3.45Å; I223-V228 WeakPolarHBondContact O-CG1 3.37Å; I223-G229 PolarHBondContact N-O 3.44Å; I223-F230 WeakPolarHBondContact CD1-O 3.49Å; I223-L231 HydrophobicContact CD1-CB 4.36Å; I223-L231 HydrophobicContact CG1-CB 3.88Å; I223-A289 HydrophobicContact CD1-CB 4.14Å; I223-W291 HydrophobicContact CD1-CZ2 4.48Å
224Q92.5Very high95.7Very high102 Ų10231.2 Ų31.248%0.47716%0.155SC..  trans-91.3-30.1179.3-62.3-172.2-62.300112.8L210 K212L210-Q224 HydrophobicContact CB-CB 4.27Å; L210-Q224 PolarHBondContact O-N 3.09Å; K212-Q224 HydrophobicContact CB-CG 4.25Å
225D91.4Very high95.6Very high36 Ų3633.1 Ų33.119%0.19316%0.163CC..SBendtrans-76.1156.9175.8-73.2-66.8000112.3K205 S209 L210 I223 P227 V228K205-D225 WeakPolarHBondContact CE-OD1 3.2Å; K205-D225 IonicContact NZ-OD1 3.88Å; K205-D225 PolarHBondContact NZ-OD1 3.47Å; S209-D225 WeakPolarHBondContact CA-OD2 3.44Å; L210-D225 PolarHBondContact N-OD2 2.9Å; I223-D225 HydrophobicContact CG2-CB 4.44Å; I223-D225 WeakPolarHBondContact CG2-O 3.45Å; D225-P227 CarbonylContact O-C 3.57Å; D225-P227 VanDerWaalsContact O-C 3.25Å; D225-V228 PolarHBondContact O-N 3.16Å
226F92.1Very high95.4Very high41 Ų4134.2 Ų34.218%0.1817%0.171CC..SBendtrans-73.6139.4171.7-176.2-89.4000111.2Y64 I333 V336 L340Y64-F226 VanDerWaalsContact OH-CD1 3.27Å; Y64-F226 WeakPolarHBondContact OH-CD1 3.15Å; Y64-F226 VanDerWaalsContact OH-CE1 3.3Å; Y64-F226 WeakPolarHBondContact OH-CE1 3.2Å; F226-I333 HydrophobicContact CD1-CG1 3.92Å; F226-I333 HydrophobicContact CD1-CG2 4.33Å; F226-I333 HydrophobicContact CD2-CG2 4.42Å; F226-I333 HydrophobicContact CE1-CB 4.1Å; F226-I333 HydrophobicContact CE1-CG1 3.85Å; F226-I333 HydrophobicContact CE1-CG2 3.98Å; F226-I333 HydrophobicContact CE2-CG2 4.08Å; F226-I333 HydrophobicContact CZ-CB 4.34Å; F226-I333 HydrophobicContact CZ-CG2 3.84Å; F226-V336 HydrophobicContact CE1-CB 3.96Å; F226-V336 HydrophobicContact CE1-CG1 3.81Å; F226-V336 HydrophobicContact CZ-CB 3.79Å; F226-V336 HydrophobicContact CZ-CG1 3.6Å; F226-L340 HydrophobicContact CD2-CD1 4.37Å; F226-L340 HydrophobicContact CE2-CD1 3.57Å; F226-L340 HydrophobicContact CZ-CD1 3.92Å
227P95.4Very high95.4Very high11 Ų1138.7 Ų38.77%0.07119%0.186CC..SBendcis-77.1136.5-7.330-32.1000112.5D225 W291 L312 V336 L340D225-P227 CarbonylContact O-C 3.57Å; D225-P227 VanDerWaalsContact O-C 3.25Å; P227-W291 HydrophobicContact CG-CZ2 4.29Å; P227-W291 PolarHBondContact O-NE1 3.02Å; P227-W291 VanDerWaalsContact O-NE1 3.09Å; P227-L312 HydrophobicContact CB-CD2 4.36Å; P227-L312 WeakPolarHBondContact CD-O 3.36Å; P227-L312 HydrophobicContact CG-CB 4.44Å; P227-L312 HydrophobicContact CG-CD2 4.2Å; P227-L312 WeakPolarHBondContact CG-O 3.28Å; P227-V336 HydrophobicContact CB-CG1 4.23Å; P227-L340 HydrophobicContact CB-CD1 3.62Å; P227-L340 HydrophobicContact CB-CD2 4.12Å; P227-L340 HydrophobicContact CB-CG 4.48Å
228V95Very high95.5Very high34 Ų3435.4 Ų35.421%0.20617%0.17CC..PPolyproline II helixtrans-66.9136.8178.9-1720000109.9R222 I223 D225 L346R222-V228 HydrophobicContact CG-CG1 4.48Å; I223-V228 WeakPolarHBondContact O-CG1 3.37Å; D225-V228 PolarHBondContact O-N 3.16Å; V228-L346 HydrophobicContact CB-CD2 4Å; V228-L346 HydrophobicContact CG1-CD2 3.59Å
229G97.2Very high95.5Very high0 Ų033.6 Ų33.60%016%0.163CC..  trans-169.9-159.117900000110.5I223I223-G229 PolarHBondContact N-O 3.44Å
230F98.4Very high95.4Very high0 Ų035.7 Ų35.70%017%0.171CC..EExtended strand (participates in β ladder)trans-108155.6176.3-52.8-66.9000110.9L214 F220 F221 I223 F253 A289 I290 P292 L346 L349 E350 L353L214-F230 HydrophobicContact CD1-CD1 3.83Å; L214-F230 HydrophobicContact CD1-CE1 4Å; F220-F230 HydrophobicContact CE1-CD1 4.17Å; F220-F230 HydrophobicContact CE1-CG 4.5Å; F220-F230 HydrophobicContact CE2-CB 3.7Å; F220-F230 HydrophobicContact CE2-CG 4.24Å; F220-F230 HydrophobicContact CZ-CB 3.68Å; F220-F230 AromaticContact CZ-CD1 3.8Å; F220-F230 HydrophobicContact CZ-CD1 3.8Å; F220-F230 HydrophobicContact CZ-CD2 4.37Å; F220-F230 AromaticContact CZ-CG 3.68Å; F220-F230 HydrophobicContact CZ-CG 3.68Å; F221-F230 CarbonylContact O-C 3.44Å; F221-F230 WeakPolarHBondContact O-CA 3.45Å; I223-F230 WeakPolarHBondContact CD1-O 3.49Å; F230-F253 HydrophobicContact CD2-CZ 4.15Å; F230-F253 HydrophobicContact CE2-CZ 4.02Å; F230-A289 CarbonylContact O-C 3.54Å; F230-A289 WeakPolarHBondContact O-CA 3.48Å; F230-I290 HydrophobicContact CB-CB 4.38Å; F230-I290 PolarHBondContact N-O 2.92Å; F230-I290 PolarHBondContact O-N 3.17Å; F230-P292 HydrophobicContact CD2-CG 4.33Å; F230-P292 HydrophobicContact CE2-CG 3.83Å; F230-L346 HydrophobicContact CE2-CD1 4.19Å; F230-L346 HydrophobicContact CZ-CD1 4Å; F230-L349 HydrophobicContact CE2-CD2 4.48Å; F230-E350 HydrophobicContact CE1-CB 3.96Å; F230-E350 HydrophobicContact CE1-CG 4.17Å; F230-E350 HydrophobicContact CZ-CB 4.14Å; F230-L353 HydrophobicContact CD2-CD1 3.99Å; F230-L353 HydrophobicContact CE1-CD1 4.29Å; F230-L353 HydrophobicContact CE2-CD1 3.39Å; F230-L353 HydrophobicContact CZ-CD1 3.59Å
231L98.4Very high95.3Very high1 Ų139.3 Ų39.31%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-135.2133.3176.6-17279.1000109.5V211 F221 I223 R287 I288 A289V211-L231 HydrophobicContact CG1-CB 4.37Å; V211-L231 HydrophobicContact CG1-CD2 3.63Å; F221-L231 HydrophobicContact CB-CB 4.39Å; F221-L231 PolarHBondContact N-O 2.76Å; F221-L231 PolarHBondContact O-N 3.05Å; I223-L231 HydrophobicContact CD1-CB 4.36Å; I223-L231 HydrophobicContact CG1-CB 3.88Å; L231-R287 HydrophobicContact CD1-CB 3.97Å; L231-R287 HydrophobicContact CD1-CG 4.38Å; L231-R287 HydrophobicContact CD2-CG 4.28Å; L231-I288 WeakPolarHBondContact CA-O 3.28Å; L231-A289 HydrophobicContact CD1-CB 4.12Å
232L98Very high95.3Very high1 Ų138.7 Ų38.71%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-105.2149.7155.6-82.196.2000110.7N219 F220 T245 I246 I288 I290N219-L232 WeakPolarHBondContact O-CA 3.4Å; F220-L232 HydrophobicContact CD2-CD1 3.36Å; F220-L232 HydrophobicContact CD2-CG 3.85Å; F220-L232 HydrophobicContact CE2-CD1 3.66Å; L232-T245 HydrophobicContact CD2-CG2 3.8Å; L232-I246 HydrophobicContact CB-CG1 4.49Å; L232-I246 HydrophobicContact CD1-CG1 3.86Å; L232-I246 HydrophobicContact CD2-CG1 4.12Å; L232-I246 HydrophobicContact CG-CG1 4.39Å; L232-I288 HydrophobicContact CB-CB 4.39Å; L232-I288 HydrophobicContact CB-CD1 4.38Å; L232-I288 PolarHBondContact N-O 3.16Å; L232-I288 PolarHBondContact O-N 3.04Å; L232-I290 HydrophobicContact CD1-CD1 3.91Å
233Y97.1Very high95.3Very high15 Ų1536.7 Ų36.76%0.05918%0.184CC..EExtended strand (participates in β ladder)trans-124.4141.4169.5178.4-96.8000110.3N219 E235 P270 G285 V286 R287N219-Y233 WeakPolarHBondContact CB-O 3.49Å; N219-Y233 PolarHBondContact O-N 3.31Å; Y233-E235 HydrophobicContact CE1-CG 3.78Å; Y233-E235 PolarHBondContact OH-OE1 3.4Å; Y233-P270 HydrophobicContact CD1-CG 4.21Å; Y233-P270 HydrophobicContact CD2-CG 4.2Å; Y233-P270 HydrophobicContact CG-CG 3.68Å; Y233-G285 WeakPolarHBondContact OH-CA 3.29Å; Y233-G285 PolarHBondContact OH-N 2.94Å; Y233-G285 VanDerWaalsContact OH-N 3.12Å; Y233-V286 WeakPolarHBondContact CA-O 3.26Å; Y233-R287 HydrophobicContact CD2-CG 4.06Å
234T96.5Very high95.2Very high1 Ų141.9 Ų41.91%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-151146.1179-168.80000111.3I166 E238 V239 A242 G285 V286 I288I166-T234 HydrophobicContact CD1-CG2 4.45Å; I166-T234 HydrophobicContact CG2-CG2 3.76Å; T234-E238 WeakPolarHBondContact OG1-CB 3.48Å; T234-E238 PolarHBondContact OG1-O 3.32Å; T234-V239 PolarHBondContact OG1-N 3.4Å; T234-A242 HydrophobicContact CG2-CB 3.9Å; T234-G285 CarbonylContact O-C 3.51Å; T234-G285 WeakPolarHBondContact O-CA 3.39Å; T234-V286 HydrophobicContact CG2-CB 4.28Å; T234-V286 PolarHBondContact N-O 2.91Å; T234-V286 VanDerWaalsContact N-O 3.13Å; T234-V286 PolarHBondContact O-N 2.82Å; T234-I288 HydrophobicContact CG2-CD1 3.83Å
235E95.1Very high95.5Very high72 Ų7237.2 Ų37.234%0.33618%0.183SC..  trans-107.7-178.7167.8-60.9-170.4-175.900110Y233 E237 E238 V239Y233-E235 HydrophobicContact CE1-CG 3.78Å; Y233-E235 PolarHBondContact OH-OE1 3.4Å; E235-E237 PolarHBondContact O-N 3.37Å; E235-E237 VanDerWaalsContact O-N 3.09Å; E235-E238 PolarHBondContact O-N 3.03Å; E235-E238 VanDerWaalsContact O-N 3.13Å; E235-V239 WeakPolarHBondContact O-CG2 3.35Å
236S92.8Very high95.8Very high26 Ų2635.5 Ų35.518%0.18217%0.173CC..G310 helixtrans-51.5-37.7-171.352.60000114.7V239S236-V239 WeakPolarHBondContact O-CG2 3.17Å
237E91.3Very high96Very high167 Ų16734.2 Ų34.278%0.7817%0.169SC*.G310 helixtrans-78.5-20.1-173.2-53.4-49.512600113.4E235E235-E237 PolarHBondContact O-N 3.37Å; E235-E237 VanDerWaalsContact O-N 3.09Å
238E94.2Very high96.1Very high86 Ų8635.3 Ų35.340%0.40217%0.174SC..G310 helixtrans-110.64.8-169.6-63.2-179.4118.700113.3T234 E235 E240 T241 A242T234-E238 WeakPolarHBondContact OG1-CB 3.48Å; T234-E238 PolarHBondContact OG1-O 3.32Å; E235-E238 PolarHBondContact O-N 3.03Å; E235-E238 VanDerWaalsContact O-N 3.13Å; E238-E240 VanDerWaalsContact C-N 3.27Å; E238-E240 PolarHBondContact O-N 2.81Å; E238-T241 PolarHBondContact O-N 2.94Å; E238-T241 VanDerWaalsContact O-N 3.1Å; E238-A242 PolarHBondContact O-N 2.87Å
239V95.3Very high96.3Very high5 Ų533.7 Ų33.73%0.0316%0.164CC..Hα-helixtrans-54.8-42.6-174.2176.20000112.1Q163 I166 E167 L170 T234 E235 S236 A242 A243Q163-V239 HydrophobicContact CG-CG1 4.03Å; I166-V239 HydrophobicContact CB-CG1 4Å; I166-V239 HydrophobicContact CD1-CG1 4.4Å; I166-V239 HydrophobicContact CG2-CB 4.47Å; I166-V239 HydrophobicContact CG2-CG1 3.84Å; I166-V239 HydrophobicContact CG2-CG2 4Å; E167-V239 HydrophobicContact CG-CG1 3.89Å; L170-V239 HydrophobicContact CD1-CG2 3.43Å; L170-V239 VanDerWaalsContact CD1-CG2 3.43Å; T234-V239 PolarHBondContact OG1-N 3.4Å; E235-V239 WeakPolarHBondContact O-CG2 3.35Å; S236-V239 WeakPolarHBondContact O-CG2 3.17Å; V239-A242 PolarHBondContact O-N 3.03Å; V239-A243 VanDerWaalsContact O-CB 3.27Å; V239-A243 WeakPolarHBondContact O-CB 3.2Å; V239-A243 PolarHBondContact O-N 3.28Å
240E93.7Very high96.3Very high88 Ų8833.8 Ų33.841%0.41116%0.164SC..Hα-helixtrans-66.3-39.3-178.1-177.9177.4166.300112.2R159 E238 R244R159-E240 IonicContact CZ-OE1 3.94Å; R159-E240 VanDerWaalsContact NH2-CD 3.27Å; R159-E240 IonicContact NH2-OE1 3.86Å; R159-E240 PolarHBondContact NH2-OE1 3.38Å; E238-E240 VanDerWaalsContact C-N 3.27Å; E238-E240 PolarHBondContact O-N 2.81Å; E240-R244 PolarHBondContact O-N 3.43Å; E240-R244 VanDerWaalsContact O-N 3.14Å
241T95Very high96.3Very high76 Ų7637.5 Ų37.547%0.46618%0.184SC..Hα-helixtrans-68.7-46.1176.1-56.80000110.3E238 A243 R244 T245E238-T241 PolarHBondContact O-N 2.94Å; E238-T241 VanDerWaalsContact O-N 3.1Å; T241-A243 VanDerWaalsContact C-N 3.35Å; T241-A243 PolarHBondContact O-N 2.87Å; T241-R244 WeakPolarHBondContact O-CB 3.42Å; T241-R244 PolarHBondContact O-N 2.99Å; T241-T245 PolarHBondContact O-N 3.36Å; T241-T245 PolarHBondContact O-OG1 3.42Å
242A97Very high96.3Very high7 Ų739 Ų396%0.05819%0.19CC..Hα-helixtrans-60.3-44.4176.800000111.7I166 T234 E238 V239 R244 T245 I246I166-A242 HydrophobicContact CD1-CB 4.37Å; T234-A242 HydrophobicContact CG2-CB 3.9Å; E238-A242 PolarHBondContact O-N 2.87Å; V239-A242 PolarHBondContact O-N 3.03Å; A242-R244 VanDerWaalsContact C-N 3.28Å; A242-R244 PolarHBondContact O-N 3.13Å; A242-T245 PolarHBondContact O-N 3.48Å; A242-I246 WeakPolarHBondContact O-CB 3.39Å; A242-I246 WeakPolarHBondContact O-CD1 3.4Å; A242-I246 VanDerWaalsContact O-CG1 3.24Å; A242-I246 WeakPolarHBondContact O-CG1 3.45Å; A242-I246 PolarHBondContact O-N 2.73Å
243A97.3Very high96.3Very high0 Ų038.9 Ų38.90%019%0.19CC..Hα-helixtrans-61.5-36.7177.100000112.5R159 V162 Q163 I166 V239 T241 C247R159-A243 HydrophobicContact CG-CB 4.45Å; V162-A243 HydrophobicContact CB-CB 4.31Å; V162-A243 HydrophobicContact CG1-CB 3.96Å; Q163-A243 HydrophobicContact CB-CB 3.82Å; I166-A243 HydrophobicContact CD1-CB 4.38Å; V239-A243 VanDerWaalsContact O-CB 3.27Å; V239-A243 WeakPolarHBondContact O-CB 3.2Å; V239-A243 PolarHBondContact O-N 3.28Å; T241-A243 VanDerWaalsContact C-N 3.35Å; T241-A243 PolarHBondContact O-N 2.87Å; A243-C247 WeakPolarHBondContact O-CB 3.47Å; A243-C247 PolarHBondContact O-N 3.35Å
244R96.1Very high96.3Very high111 Ų11138.9 Ų38.942%0.41919%0.191SC..Hα-helixtrans-64.2-51.5174.2-171.4-171.7-54.1164.76.4111.3E240 T241 A242 I246 C247 E248E240-R244 PolarHBondContact O-N 3.43Å; E240-R244 VanDerWaalsContact O-N 3.14Å; T241-R244 WeakPolarHBondContact O-CB 3.42Å; T241-R244 PolarHBondContact O-N 2.99Å; A242-R244 VanDerWaalsContact C-N 3.28Å; A242-R244 PolarHBondContact O-N 3.13Å; R244-I246 VanDerWaalsContact C-N 3.35Å; R244-I246 PolarHBondContact O-N 3.25Å; R244-C247 WeakPolarHBondContact O-CB 3.41Å; R244-C247 PolarHBondContact O-N 3.35Å; R244-C247 VanDerWaalsContact O-N 3.13Å; R244-E248 WeakPolarHBondContact CG-OE1 3.05Å; R244-E248 WeakPolarHBondContact O-CG 3.38Å; R244-E248 PolarHBondContact O-N 3.42Å
245T97.6Very high96.3Very high4 Ų441.2 Ų41.23%0.02522%0.216CC..Hα-helixtrans-63.5-39.2179.8-57.80000112.3K218 L232 T241 A242 C247 E248 V249 L357K218-T245 HydrophobicContact CB-CG2 4.28Å; K218-T245 HydrophobicContact CD-CG2 4.02Å; L232-T245 HydrophobicContact CD2-CG2 3.8Å; T241-T245 PolarHBondContact O-N 3.36Å; T241-T245 PolarHBondContact O-OG1 3.42Å; A242-T245 PolarHBondContact O-N 3.48Å; T245-C247 VanDerWaalsContact C-N 3.32Å; T245-C247 PolarHBondContact O-N 3.43Å; T245-E248 PolarHBondContact O-N 3.19Å; T245-V249 WeakPolarHBondContact O-CG2 3.24Å; T245-V249 PolarHBondContact O-N 2.64Å; T245-L357 HydrophobicContact CG2-CD1 4.39Å; T245-L357 HydrophobicContact CG2-CD2 4.27Å
246I98.2Very high96.3Very high0 Ų043.4 Ų43.40%023%0.226CC..Hα-helixtrans-61.2-44173.7-69.7157.1000110.4V162 I166 L232 A242 R244 V249 T250 L262 I288 I290V162-I246 HydrophobicContact CB-CG2 4.49Å; V162-I246 HydrophobicContact CG1-CB 3.84Å; V162-I246 HydrophobicContact CG1-CD1 3.76Å; V162-I246 HydrophobicContact CG1-CG1 4.42Å; V162-I246 HydrophobicContact CG1-CG2 3.64Å; V162-I246 HydrophobicContact CG2-CG2 3.99Å; I166-I246 HydrophobicContact CD1-CD1 3.86Å; L232-I246 HydrophobicContact CB-CG1 4.49Å; L232-I246 HydrophobicContact CD1-CG1 3.86Å; L232-I246 HydrophobicContact CD2-CG1 4.12Å; L232-I246 HydrophobicContact CG-CG1 4.39Å; A242-I246 WeakPolarHBondContact O-CB 3.39Å; A242-I246 WeakPolarHBondContact O-CD1 3.4Å; A242-I246 VanDerWaalsContact O-CG1 3.24Å; A242-I246 WeakPolarHBondContact O-CG1 3.45Å; A242-I246 PolarHBondContact O-N 2.73Å; R244-I246 VanDerWaalsContact C-N 3.35Å; R244-I246 PolarHBondContact O-N 3.25Å; I246-V249 PolarHBondContact O-N 3.13Å; I246-T250 HydrophobicContact CG2-CG2 4.36Å; I246-T250 WeakPolarHBondContact O-CG2 3.13Å; I246-T250 PolarHBondContact O-N 3.38Å; I246-T250 PolarHBondContact O-OG1 3.01Å; I246-T250 VanDerWaalsContact O-OG1 3.1Å; I246-L262 HydrophobicContact CG2-CD2 3.57Å; I246-I288 HydrophobicContact CD1-CB 4.07Å; I246-I288 HydrophobicContact CD1-CD1 4.24Å; I246-I288 HydrophobicContact CD1-CG1 3.95Å; I246-I288 HydrophobicContact CD1-CG2 3.79Å; I246-I288 HydrophobicContact CG1-CG2 4.3Å; I246-I290 HydrophobicContact CG1-CD1 4.46Å
247C96.8Very high96.4Very high14 Ų1445.5 Ų45.510%0.09524%0.235CC..Hα-helixtrans-61.5-46.3177.2-157.20000111.1R159 A243 R244 T245 V249 T250 D251R159-C247 HydrophobicContact CB-CB 4.32Å; R159-C247 PolarHBondContact N-SG 2.73Å; A243-C247 WeakPolarHBondContact O-CB 3.47Å; A243-C247 PolarHBondContact O-N 3.35Å; R244-C247 WeakPolarHBondContact O-CB 3.41Å; R244-C247 PolarHBondContact O-N 3.35Å; R244-C247 VanDerWaalsContact O-N 3.13Å; T245-C247 VanDerWaalsContact C-N 3.32Å; T245-C247 PolarHBondContact O-N 3.43Å; C247-V249 VanDerWaalsContact C-N 3.31Å; C247-V249 PolarHBondContact O-N 3.07Å; C247-T250 WeakPolarHBondContact CA-OG1 3.5Å; C247-T250 PolarHBondContact O-N 3.08Å; C247-T250 VanDerWaalsContact O-N 3.16Å; C247-T250 PolarHBondContact O-OG1 3.49Å; C247-T250 VanDerWaalsContact O-OG1 3.09Å; C247-D251 VanDerWaalsContact O-CB 3.26Å; C247-D251 WeakPolarHBondContact O-CB 3.24Å; C247-D251 PolarHBondContact O-N 3.37Å; C247-D251 PolarHBondContact SG-OD2 3.28Å; C247-D251 VanDerWaalsContact SG-OD2 3.37Å
248E97.4Very high96.7Very high34 Ų3439 Ų3916%0.15921%0.205CC..Hα-helixtrans-54.1-45.7174.4-70.9164.3-168.300111.6K218 R244 T245 F252 L357K218-E248 IonicContact NZ-OE2 2.66Å; K218-E248 PolarHBondContact NZ-OE2 2.9Å; R244-E248 WeakPolarHBondContact CG-OE1 3.05Å; R244-E248 WeakPolarHBondContact O-CG 3.38Å; R244-E248 PolarHBondContact O-N 3.42Å; T245-E248 PolarHBondContact O-N 3.19Å; E248-F252 WeakPolarHBondContact O-CB 3.45Å; E248-F252 PolarHBondContact O-N 3.34Å; E248-L357 HydrophobicContact CB-CD2 3.72Å; E248-L357 WeakPolarHBondContact OE2-CD2 3.44Å
249V98.4Very high96.8Very high0 Ų034.9 Ų34.90%019%0.186CC..Hα-helixtrans-63.9-46.6176.7171.40000111.7F220 T245 I246 C247 F252 F253 I290 L353 L357F220-V249 HydrophobicContact CE2-CG2 4.11Å; F220-V249 HydrophobicContact CZ-CG2 4.2Å; T245-V249 WeakPolarHBondContact O-CG2 3.24Å; T245-V249 PolarHBondContact O-N 2.64Å; I246-V249 PolarHBondContact O-N 3.13Å; C247-V249 VanDerWaalsContact C-N 3.31Å; C247-V249 PolarHBondContact O-N 3.07Å; V249-F252 WeakPolarHBondContact O-CB 3.43Å; V249-F252 PolarHBondContact O-N 3.02Å; V249-F253 HydrophobicContact CG1-CD2 4.16Å; V249-F253 HydrophobicContact CG1-CE1 4.35Å; V249-F253 HydrophobicContact CG1-CE2 3.5Å; V249-F253 VanDerWaalsContact CG1-CE2 3.5Å; V249-F253 HydrophobicContact CG1-CZ 3.59Å; V249-F253 WeakPolarHBondContact O-CG 3.06Å; V249-F253 PolarHBondContact O-N 2.75Å; V249-F253 VanDerWaalsContact O-N 3.08Å; V249-I290 HydrophobicContact CG1-CD1 4.1Å; V249-L353 HydrophobicContact CG1-CD2 4.31Å; V249-L357 HydrophobicContact CG2-CD1 3.78Å; V249-L357 HydrophobicContact CG2-CD2 4.07Å; V249-L357 HydrophobicContact CG2-CG 4.38Å
250T98.2Very high97Very high1 Ų134.8 Ų34.81%0.00619%0.186CC..Hα-helixtrans-72.5-33.3-177.254.90000112.3L157 I246 C247 F253 V254 L262L157-T250 HydrophobicContact CD1-CG2 3.95Å; I246-T250 HydrophobicContact CG2-CG2 4.36Å; I246-T250 WeakPolarHBondContact O-CG2 3.13Å; I246-T250 PolarHBondContact O-N 3.38Å; I246-T250 PolarHBondContact O-OG1 3.01Å; I246-T250 VanDerWaalsContact O-OG1 3.1Å; C247-T250 WeakPolarHBondContact CA-OG1 3.5Å; C247-T250 PolarHBondContact O-N 3.08Å; C247-T250 VanDerWaalsContact O-N 3.16Å; C247-T250 PolarHBondContact O-OG1 3.49Å; C247-T250 VanDerWaalsContact O-OG1 3.09Å; T250-F253 WeakPolarHBondContact O-CB 3.38Å; T250-F253 PolarHBondContact O-N 3.43Å; T250-V254 VanDerWaalsContact O-CG2 3.28Å; T250-V254 WeakPolarHBondContact O-CG2 3.2Å; T250-V254 PolarHBondContact O-N 3.1Å; T250-L262 HydrophobicContact CG2-CD1 3.82Å; T250-L262 HydrophobicContact CG2-CD2 4.42Å
251D97.8Very high97.2Very high79 Ų7930.6 Ų30.642%0.42217%0.166SC..Hα-helixtrans-67.1-40.1174.8-70.3-22.2000110.6C247 F253 V254 G255C247-D251 VanDerWaalsContact O-CB 3.26Å; C247-D251 WeakPolarHBondContact O-CB 3.24Å; C247-D251 PolarHBondContact O-N 3.37Å; C247-D251 PolarHBondContact SG-OD2 3.28Å; C247-D251 VanDerWaalsContact SG-OD2 3.37Å; D251-F253 VanDerWaalsContact C-N 3.34Å; D251-F253 PolarHBondContact O-N 2.91Å; D251-V254 PolarHBondContact O-N 2.83Å; D251-G255 PolarHBondContact O-N 3.16Å
252F98Very high97.4Very high31 Ų3127.1 Ų27.114%0.13614%0.144CC..Hα-helixtrans-57-47.5169.7-178.5-83.6000111.1E248 V249 V254 G255 E256 L349 Q352 L353 H356E248-F252 WeakPolarHBondContact O-CB 3.45Å; E248-F252 PolarHBondContact O-N 3.34Å; V249-F252 WeakPolarHBondContact O-CB 3.43Å; V249-F252 PolarHBondContact O-N 3.02Å; F252-V254 PolarHBondContact O-N 3.25Å; F252-G255 PolarHBondContact O-N 3.19Å; F252-E256 HydrophobicContact CD1-CG 4.24Å; F252-E256 HydrophobicContact CE1-CG 3.76Å; F252-E256 HydrophobicContact CE2-CG 4.4Å; F252-E256 HydrophobicContact CZ-CG 3.85Å; F252-E256 WeakPolarHBondContact O-CG 3.3Å; F252-E256 PolarHBondContact O-N 3.13Å; F252-L349 HydrophobicContact CD1-CD1 4.37Å; F252-L349 HydrophobicContact CE1-CD1 3.65Å; F252-Q352 HydrophobicContact CZ-CB 3.97Å; F252-L353 HydrophobicContact CB-CD2 4.13Å; F252-L353 HydrophobicContact CD1-CD2 3.46Å; F252-L353 VanDerWaalsContact CD1-CD2 3.46Å; F252-L353 HydrophobicContact CD1-CG 4.32Å; F252-L353 HydrophobicContact CE1-CD2 4.03Å; F252-L353 HydrophobicContact CE1-CG 4.44Å; F252-L353 HydrophobicContact CG-CD2 3.8Å; F252-H356 HydrophobicContact CD2-CB 4.06Å; F252-H356 AromaticContact CD2-CD2 3.87Å; F252-H356 AromaticContact CD2-CG 3.68Å; F252-H356 AromaticContact CD2-ND1 3.93Å; F252-H356 HydrophobicContact CE2-CB 4.22Å
253F98.3Very high97.5Very high0 Ų026.9 Ų26.90%014%0.142CC..Hα-helixtrans-62.4-41.3176.7-64.6-23.4000113.1F230 V249 T250 D251 G255 E256 N257 I258 H260 I290 P292 L349 L353F230-F253 HydrophobicContact CD2-CZ 4.15Å; F230-F253 HydrophobicContact CE2-CZ 4.02Å; V249-F253 HydrophobicContact CG1-CD2 4.16Å; V249-F253 HydrophobicContact CG1-CE1 4.35Å; V249-F253 HydrophobicContact CG1-CE2 3.5Å; V249-F253 VanDerWaalsContact CG1-CE2 3.5Å; V249-F253 HydrophobicContact CG1-CZ 3.59Å; V249-F253 WeakPolarHBondContact O-CG 3.06Å; V249-F253 PolarHBondContact O-N 2.75Å; V249-F253 VanDerWaalsContact O-N 3.08Å; T250-F253 WeakPolarHBondContact O-CB 3.38Å; T250-F253 PolarHBondContact O-N 3.43Å; D251-F253 VanDerWaalsContact C-N 3.34Å; D251-F253 PolarHBondContact O-N 2.91Å; F253-G255 VanDerWaalsContact C-N 3.35Å; F253-E256 CarbonylContact O-C 3.54Å; F253-E256 PolarHBondContact O-N 3.38Å; F253-N257 PolarHBondContact O-N 2.78Å; F253-I258 HydrophobicContact CB-CB 4.03Å; F253-I258 HydrophobicContact CB-CG2 4.45Å; F253-I258 HydrophobicContact CD1-CB 4.31Å; F253-I258 HydrophobicContact CD1-CD1 4.15Å; F253-I258 HydrophobicContact CD1-CG2 4.27Å; F253-I258 HydrophobicContact CG-CB 4.38Å; F253-I258 HydrophobicContact CG-CG2 4.35Å; F253-I258 PolarHBondContact O-N 3.05Å; F253-H260 HydrophobicContact CD2-CB 3.85Å; F253-H260 AromaticContact CD2-CG 3.83Å; F253-H260 AromaticContact CD2-ND1 3.95Å; F253-H260 HydrophobicContact CE2-CB 4.38Å; F253-I290 HydrophobicContact CE2-CG2 3.77Å; F253-P292 HydrophobicContact CE1-CB 4.3Å; F253-P292 HydrophobicContact CE2-CB 4.26Å; F253-P292 HydrophobicContact CZ-CB 4.04Å; F253-P292 HydrophobicContact CZ-CG 4.27Å; F253-L349 HydrophobicContact CD1-CD1 4.38Å; F253-L349 HydrophobicContact CE1-CD1 3.95Å; F253-L349 HydrophobicContact CE1-CD2 3.81Å; F253-L349 HydrophobicContact CE1-CG 4.1Å; F253-L349 HydrophobicContact CZ-CD2 4.43Å; F253-L353 HydrophobicContact CE1-CD1 3.68Å; F253-L353 HydrophobicContact CE1-CD2 3.84Å; F253-L353 HydrophobicContact CE1-CG 4.11Å; F253-L353 HydrophobicContact CZ-CD1 3.74Å; F253-L353 HydrophobicContact CZ-CD2 4.37Å
254V97.6Very high97.6Very high14 Ų1427.1 Ų27.19%0.08514%0.143CC..Hα-helixtrans-62.8-44.4176.3171.90000110.5I85 Q86 I156 T250 D251 F252 E256 N257I85-V254 HydrophobicContact CG2-CG2 4.3Å; Q86-V254 HydrophobicContact CG-CG1 3.56Å; Q86-V254 PolarHBondContact NE2-O 2.58Å; I156-V254 HydrophobicContact CD1-CG1 4.22Å; I156-V254 HydrophobicContact CG2-CG2 4.15Å; T250-V254 VanDerWaalsContact O-CG2 3.28Å; T250-V254 WeakPolarHBondContact O-CG2 3.2Å; T250-V254 PolarHBondContact O-N 3.1Å; D251-V254 PolarHBondContact O-N 2.83Å; F252-V254 PolarHBondContact O-N 3.25Å; V254-E256 PolarHBondContact O-N 3.33Å; V254-N257 PolarHBondContact O-N 3.21Å; V254-N257 VanDerWaalsContact O-N 3.13Å
255G96.4Very high97.6Very high50 Ų5021.9 Ų21.952%0.51512%0.124SC..Hα-helixtrans-59.9-41.6177.200000113.2D251 F252 F253 N257D251-G255 PolarHBondContact O-N 3.16Å; F252-G255 PolarHBondContact O-N 3.19Å; F253-G255 VanDerWaalsContact C-N 3.35Å; G255-N257 VanDerWaalsContact C-N 3.28Å; G255-N257 PolarHBondContact O-N 3.03Å
256E95.8Very high97.6Very high118 Ų11821.7 Ų21.755%0.55112%0.123SC*.THydrogen-bonded Turntrans-85.75.7177.2-63.7-59.5134.900113.6F252 F253 V254 I258F252-E256 HydrophobicContact CD1-CG 4.24Å; F252-E256 HydrophobicContact CE1-CG 3.76Å; F252-E256 HydrophobicContact CE2-CG 4.4Å; F252-E256 HydrophobicContact CZ-CG 3.85Å; F252-E256 WeakPolarHBondContact O-CG 3.3Å; F252-E256 PolarHBondContact O-N 3.13Å; F253-E256 CarbonylContact O-C 3.54Å; F253-E256 PolarHBondContact O-N 3.38Å; V254-E256 PolarHBondContact O-N 3.33Å; E256-I258 VanDerWaalsContact C-N 3.3Å; E256-I258 HydrophobicContact CB-CD1 3.78Å; E256-I258 HydrophobicContact CB-CG1 3.96Å; E256-I258 PolarHBondContact O-N 3.43Å
257N94.6Very high97.3Very high71 Ų7121.7 Ų21.738%0.3812%0.123SC..THydrogen-bonded Turntrans54.542.2-177.9-166.247.1000113.7I85 F253 V254 G255I85-N257 VanDerWaalsContact CD1-O 3.3Å; I85-N257 WeakPolarHBondContact CD1-O 3.3Å; I85-N257 WeakPolarHBondContact CG1-OD1 3.45Å; F253-N257 PolarHBondContact O-N 2.78Å; V254-N257 PolarHBondContact O-N 3.21Å; V254-N257 VanDerWaalsContact O-N 3.13Å; G255-N257 VanDerWaalsContact C-N 3.28Å; G255-N257 PolarHBondContact O-N 3.03Å
258I96.9Very high97.1Very high30 Ų3021 Ų2115%0.15412%0.118CC..  trans-98.3118176.6-60.4171.7000110.2I85 F253 E256 H260 P292 L349I85-I258 WeakPolarHBondContact CD1-O 3.44Å; F253-I258 HydrophobicContact CB-CB 4.03Å; F253-I258 HydrophobicContact CB-CG2 4.45Å; F253-I258 HydrophobicContact CD1-CB 4.31Å; F253-I258 HydrophobicContact CD1-CD1 4.15Å; F253-I258 HydrophobicContact CD1-CG2 4.27Å; F253-I258 HydrophobicContact CG-CB 4.38Å; F253-I258 HydrophobicContact CG-CG2 4.35Å; F253-I258 PolarHBondContact O-N 3.05Å; E256-I258 VanDerWaalsContact C-N 3.3Å; E256-I258 HydrophobicContact CB-CD1 3.78Å; E256-I258 HydrophobicContact CB-CG1 3.96Å; E256-I258 PolarHBondContact O-N 3.43Å; I258-H260 PolarHBondContact O-ND1 2.9Å; I258-H260 VanDerWaalsContact O-ND1 3.09Å; I258-P292 HydrophobicContact CG2-CB 3.66Å; I258-L349 HydrophobicContact CD1-CD1 3.62Å; I258-L349 HydrophobicContact CD1-CD2 4.09Å
259A97.5Very high96.8Very high0 Ų021.6 Ų21.60%013%0.125CC..EExtended strand (participates in β ladder)trans-69.7144.4175.200000109.8I85 A186 P292 R293 S295I85-A259 HydrophobicContact CD1-CB 3.97Å; A186-A259 HydrophobicContact CB-CB 4.12Å; A259-P292 WeakPolarHBondContact O-CA 2.93Å; A259-R293 HydrophobicContact CB-CG 4.15Å; A259-R293 WeakPolarHBondContact O-CG 3.33Å; A259-R293 PolarHBondContact O-N 3.33Å; A259-S295 WeakPolarHBondContact CB-OG 3.22Å
260H98.6Very high96.4Very high3 Ų323.1 Ų23.11%0.01414%0.135CC..EExtended strand (participates in β ladder)trans-151.4153.2-174.957.4-87.2000113.6F181 S183 A186 F253 I258 W291F181-H260 AromaticContact CE1-NE2 3.73Å; S183-H260 WeakPolarHBondContact CB-O 3.09Å; S183-H260 PolarHBondContact N-O 3.33Å; S183-H260 PolarHBondContact OG-N 3.39Å; S183-H260 PolarHBondContact OG-O 2.83Å; A186-H260 WeakPolarHBondContact CB-O 3.49Å; F253-H260 HydrophobicContact CD2-CB 3.85Å; F253-H260 AromaticContact CD2-CG 3.83Å; F253-H260 AromaticContact CD2-ND1 3.95Å; F253-H260 HydrophobicContact CE2-CB 4.38Å; I258-H260 PolarHBondContact O-ND1 2.9Å; I258-H260 VanDerWaalsContact O-ND1 3.09Å; H260-W291 VanDerWaalsContact CA-O 3.26Å; H260-W291 WeakPolarHBondContact CA-O 3.35Å
261N98.8Very high95.7Very high0 Ų024.8 Ų24.80%015%0.146CC..EExtended strand (participates in β ladder)trans-119.3144172.5-63.5103.3000109.6F181 N182 A186 I290 W291 R293 L309 L312F181-N261 WeakPolarHBondContact O-CA 3.42Å; N182-N261 PolarHBondContact OD1-ND2 3.38Å; A186-N261 PolarHBondContact O-ND2 3.14Å; N261-I290 WeakPolarHBondContact O-CA 3.35Å; N261-W291 HydrophobicContact CB-CE3 4.44Å; N261-W291 PolarHBondContact N-O 3.44Å; N261-W291 VanDerWaalsContact N-O 3.08Å; N261-W291 PolarHBondContact O-N 3.42Å; N261-R293 WeakPolarHBondContact OD1-CD 3.39Å; N261-R293 PolarHBondContact OD1-NH1 3.46Å; N261-L309 HydrophobicContact CB-CB 4.34Å; N261-L312 HydrophobicContact CB-CD1 3.7Å; N261-L312 WeakPolarHBondContact OD1-CD1 3.49Å
262L98.7Very high94.8Very high3 Ų323.2 Ų23.22%0.01615%0.148CC..EExtended strand (participates in β ladder)trans-119.1146.1170.1-81.972.3000110.7L157 G180 F181 I246 T250 L264 I288 A289 I290L157-L262 HydrophobicContact CD1-CD1 3.83Å; L157-L262 HydrophobicContact CD1-CD2 3.61Å; L157-L262 HydrophobicContact CD1-CG 4.3Å; G180-L262 CarbonylContact C-O 3.59Å; G180-L262 WeakPolarHBondContact CA-O 3.42Å; F181-L262 HydrophobicContact CB-CB 4.18Å; F181-L262 HydrophobicContact CD1-CD1 4.26Å; F181-L262 PolarHBondContact N-O 2.94Å; F181-L262 PolarHBondContact O-N 3.26Å; I246-L262 HydrophobicContact CG2-CD2 3.57Å; T250-L262 HydrophobicContact CG2-CD1 3.82Å; T250-L262 HydrophobicContact CG2-CD2 4.42Å; L262-L264 HydrophobicContact CB-CD1 4.29Å; L262-I288 HydrophobicContact CD2-CG2 4.3Å; L262-A289 CarbonylContact C-O 3.54Å; L262-A289 VanDerWaalsContact CA-O 3.29Å; L262-A289 WeakPolarHBondContact CA-O 3.46Å; L262-I290 HydrophobicContact CD1-CG2 3.92Å; L262-I290 HydrophobicContact CG-CG1 4.19Å; L262-I290 HydrophobicContact CG-CG2 4.27Å
263F98.8Very high93.8Very high1 Ų129.1 Ų29.10%0.00418%0.177CC..EExtended strand (participates in β ladder)trans-141.5125.5176-169.8-99.1000111.4R178 Y198 L204 I206 T265 I288 A289 W291 L309 A313R178-F263 HydrophobicContact CB-CE2 4.39Å; R178-F263 HydrophobicContact CB-CZ 4.17Å; R178-F263 HydrophobicContact CG-CZ 4.24Å; Y198-F263 HydrophobicContact CE1-CE2 4.38Å; Y198-F263 VanDerWaalsContact OH-CE2 3.28Å; Y198-F263 WeakPolarHBondContact OH-CE2 3.4Å; L204-F263 HydrophobicContact CD1-CE1 4.1Å; L204-F263 HydrophobicContact CD1-CZ 3.73Å; I206-F263 HydrophobicContact CG2-CD1 4.19Å; I206-F263 HydrophobicContact CG2-CE1 3.99Å; F263-T265 HydrophobicContact CD1-CG2 4.16Å; F263-T265 HydrophobicContact CE1-CG2 3.99Å; F263-I288 CarbonylContact O-C 3.56Å; F263-I288 WeakPolarHBondContact O-CA 3.43Å; F263-A289 HydrophobicContact CB-CB 4.46Å; F263-A289 PolarHBondContact N-O 2.91Å; F263-A289 PolarHBondContact O-N 3.49Å; F263-W291 HydrophobicContact CB-CH2 4Å; F263-W291 HydrophobicContact CB-CZ3 3.58Å; F263-W291 HydrophobicContact CG-CZ3 4.48Å; F263-L309 HydrophobicContact CD2-CD1 3.62Å; F263-L309 HydrophobicContact CE2-CD1 3.92Å; F263-A313 HydrophobicContact CB-CB 4.45Å; F263-A313 HydrophobicContact CD1-CB 3.6Å; F263-A313 HydrophobicContact CD2-CB 3.64Å; F263-A313 HydrophobicContact CE1-CB 3.44Å; F263-A313 VanDerWaalsContact CE1-CB 3.44Å; F263-A313 HydrophobicContact CE2-CB 3.5Å; F263-A313 VanDerWaalsContact CE2-CB 3.5Å; F263-A313 HydrophobicContact CG-CB 3.65Å; F263-A313 HydrophobicContact CZ-CB 3.34Å
264L98.7Very high92.6Very high6 Ų636.2 Ų36.23%0.03121%0.212CC..EExtended strand (participates in β ladder)trans-116.1123.5-175.4-65.973.8000108.3I166 V169 R178 V179 L262 V286 R287 I288I166-L264 HydrophobicContact CB-CD2 4.3Å; I166-L264 HydrophobicContact CG1-CD2 3.59Å; V169-L264 HydrophobicContact CG2-CB 3.99Å; R178-L264 WeakPolarHBondContact CA-O 3.45Å; V179-L264 HydrophobicContact CB-CB 4.17Å; V179-L264 PolarHBondContact N-O 3.13Å; V179-L264 PolarHBondContact O-N 2.67Å; L262-L264 HydrophobicContact CB-CD1 4.29Å; L264-V286 HydrophobicContact CB-CG1 4.14Å; L264-R287 WeakPolarHBondContact CA-O 3.45Å; L264-I288 HydrophobicContact CD1-CG2 4.14Å; L264-I288 HydrophobicContact CD2-CG1 4.27Å; L264-I288 HydrophobicContact CG-CB 4.42Å; L264-I288 HydrophobicContact CG-CG1 3.88Å; L264-I288 HydrophobicContact CG-CG2 4.05Å
265T97.8Very high91.5Very high1 Ų137.8 Ų37.81%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-147.1153.4-179.3-172.30000110.6R178 I206 E207 F263 V286 R287R178-T265 PolarHBondContact NE-OG1 3.4Å; I206-T265 HydrophobicContact CG2-CG2 4.27Å; E207-T265 HydrophobicContact CG-CG2 3.81Å; F263-T265 HydrophobicContact CD1-CG2 4.16Å; F263-T265 HydrophobicContact CE1-CG2 3.99Å; T265-V286 WeakPolarHBondContact O-CA 3.28Å; T265-R287 HydrophobicContact CG2-CB 4.26Å; T265-R287 PolarHBondContact N-O 2.8Å; T265-R287 PolarHBondContact O-N 3.09Å
266R96.1Very high90.7Very high0 Ų039.2 Ų39.20%022%0.217CC..EExtended strand (participates in β ladder)trans-61.8137164.1-71.1-61-172.514117.1109.4V13 V169 L170 S172 R283 K284V13-R266 VanDerWaalsContact O-CZ 3.25Å; V13-R266 PolarHBondContact O-NH1 2.76Å; V13-R266 PolarHBondContact O-NH2 3.4Å; V169-R266 HydrophobicContact CG1-CG 3.85Å; V169-R266 PolarHBondContact O-NE 3.13Å; V169-R266 PolarHBondContact O-NH2 2.92Å; L170-R266 VanDerWaalsContact CA-NH2 3.27Å; L170-R266 PolarHBondContact O-NH2 3.3Å; S172-R266 PolarHBondContact O-NH2 3.25Å; R266-R283 HydrophobicContact CB-CB 4.04Å; R266-K284 PolarHBondContact NH1-O 3.39Å
267G93.3Very high89.6Confident0 Ų037.4 Ų37.40%022%0.222CC..EExtended strand (participates in β ladder)trans-157163.9-175.200000112.2E207 G285E207-G267 VanDerWaalsContact O-CA 3.25Å; E207-G267 WeakPolarHBondContact O-CA 3.17Å; G267-G285 PolarHBondContact N-O 3.18Å
268C90.9Very high88.6Confident0 Ų042.1 Ų42.10%024%0.239CC..PPolyproline II helixtrans-71.9158173.162.90000110.5E207 Q275 L282 R287E207-C268 PolarHBondContact O-N 2.98Å; C268-Q275 PolarHBondContact SG-NE2 2.85Å; C268-L282 WeakPolarHBondContact CA-O 3.31Å; C268-R287 VanDerWaalsContact O-CZ 3.26Å; C268-R287 PolarHBondContact O-NE 3.44Å; C268-R287 PolarHBondContact O-NH2 3.43Å; C268-R287 PolarHBondContact SG-NH2 2.96Å
269P90.8Very high87.5Confident46 Ų4645 Ų4530%0.29925%0.252SS..PPolyproline II helixtrans-51.8147.2173.5-2735.3000112.3S271 Q275 R287P269-S271 PolarHBondContact O-N 2.81Å; P269-Q275 PolarHBondContact O-NE2 2.85Å; P269-R287 PolarHBondContact O-NH2 2.91Å
270P90.7Very high86.4Confident32 Ų3247.4 Ų47.421%0.20826%0.263CS..PPolyproline II helixtrans-53.7133.3174-31.939.2000112.4V211 F221 Y233V211-P270 HydrophobicContact CG2-CB 3.66Å; F221-P270 HydrophobicContact CD1-CB 4.2Å; F221-P270 HydrophobicContact CD2-CB 4.28Å; F221-P270 HydrophobicContact CD2-CG 4.15Å; F221-P270 HydrophobicContact CE1-CB 3.81Å; F221-P270 HydrophobicContact CE1-CG 4.45Å; F221-P270 HydrophobicContact CE2-CB 3.86Å; F221-P270 HydrophobicContact CE2-CG 3.6Å; F221-P270 HydrophobicContact CG-CB 4.47Å; F221-P270 HydrophobicContact CZ-CB 3.63Å; F221-P270 HydrophobicContact CZ-CG 3.8Å; Y233-P270 HydrophobicContact CD1-CG 4.21Å; Y233-P270 HydrophobicContact CD2-CG 4.2Å; Y233-P270 HydrophobicContact CG-CG 3.68Å
271S82.8Confident85.4Confident35 Ų3548.9 Ų48.925%0.24527%0.274CS..  trans-146.2142.8173.5178.70000110.2V211 P269 Q273V211-S271 PolarHBondContact N-O 2.86Å; V211-S271 VanDerWaalsContact N-O 3.17Å; P269-S271 PolarHBondContact O-N 2.81Å; S271-Q273 VanDerWaalsContact C-N 3.28Å; S271-Q273 WeakPolarHBondContact CB-O 3.16Å; S271-Q273 PolarHBondContact OG-N 3.05Å; S271-Q273 PolarHBondContact OG-O 3.35Å
272G78.9Confident84.5Confident46 Ų4651.7 Ų51.747%0.47429%0.288SS..SBendtrans-85.1-0.6170.400000113.6V211V211-G272 WeakPolarHBondContact O-CA 3.44Å
273Q78.3Confident83.9Confident155 Ų15551.6 Ų51.672%0.72429%0.288SS*.SBendtrans-134.1157.5179.7-62.8-177.22.300111S271 Q275S271-Q273 VanDerWaalsContact C-N 3.28Å; S271-Q273 WeakPolarHBondContact CB-O 3.16Å; S271-Q273 PolarHBondContact OG-N 3.05Å; S271-Q273 PolarHBondContact OG-O 3.35Å; Q273-Q275 PolarHBondContact O-N 2.75Å
274M73.7Confident83.4Confident150 Ų15055.8 Ų55.874%0.73931%0.306SS*.PPolyproline II helixtrans-58.6122.6176-73.5-7598.600110.6L210L210-M274 HydrophobicContact CD1-CE 3.86Å; L210-M274 HydrophobicContact CD2-CE 3.43Å; L210-M274 VanDerWaalsContact CD2-CE 3.43Å; L210-M274 HydrophobicContact CG-CE 3.54Å
275Q74.4Confident83.2Confident46 Ų4655.5 Ų55.522%0.21530%0.304CS..PPolyproline II helixtrans-78.5156.5-178.6-71.1178.355.200111C268 P269 Q273 E279C268-Q275 PolarHBondContact SG-NE2 2.85Å; P269-Q275 PolarHBondContact O-NE2 2.85Å; Q273-Q275 PolarHBondContact O-N 2.75Å; Q275-E279 HydrophobicContact CB-CB 3.99Å; Q275-E279 HydrophobicContact CG-CB 4.48Å
276T78.6Confident83.1Confident80 Ų8055.4 Ų55.449%0.49130%0.304SS..PPolyproline II helixtrans-64.1155.7170.765.70000110.3K278 E279 H280T276-K278 PolarHBondContact O-N 2.72Å; T276-E279 WeakPolarHBondContact CB-OE2 3.39Å; T276-E279 WeakPolarHBondContact CG2-OE2 3.28Å; T276-E279 PolarHBondContact N-OE2 3.03Å; T276-E279 PolarHBondContact O-N 3.13Å; T276-E279 VanDerWaalsContact O-N 3.08Å; T276-E279 WeakPolarHBondContact OG1-CG 3.4Å; T276-E279 PolarHBondContact OG1-N 2.84Å; T276-E279 PolarHBondContact OG1-OE2 3.01Å; T276-H280 PolarHBondContact O-N 3.35Å
277A73.6Confident83.2Confident81 Ų8155.5 Ų55.567%0.66930%0.304SS*.Hα-helixtrans-55.7-29.1178.100000113.1C281A277-C281 PolarHBondContact O-N 2.87Å; A277-C281 PolarHBondContact O-SG 2.89Å
278K73.5Confident83.5Confident169 Ų16955.5 Ų55.574%0.73530%0.304SS*.Hα-helixtrans-72.4-43.3177.9-170.2179.7179.4-175.90112T276 C281T276-K278 PolarHBondContact O-N 2.72Å; K278-C281 PolarHBondContact O-N 2.92Å
279E73.1Confident83.8Confident91 Ų9155.5 Ų55.543%0.42531%0.305SS..Hα-helixtrans-68.8-38.2177.8-70.1160.2154.500111.4Q275 T276 C281 L282Q275-E279 HydrophobicContact CB-CB 3.99Å; Q275-E279 HydrophobicContact CG-CB 4.48Å; T276-E279 WeakPolarHBondContact CB-OE2 3.39Å; T276-E279 WeakPolarHBondContact CG2-OE2 3.28Å; T276-E279 PolarHBondContact N-OE2 3.03Å; T276-E279 PolarHBondContact O-N 3.13Å; T276-E279 VanDerWaalsContact O-N 3.08Å; T276-E279 WeakPolarHBondContact OG1-CG 3.4Å; T276-E279 PolarHBondContact OG1-N 2.84Å; T276-E279 PolarHBondContact OG1-OE2 3.01Å; E279-C281 VanDerWaalsContact C-N 3.26Å; E279-C281 PolarHBondContact O-N 3.37Å; E279-L282 PolarHBondContact O-N 3.31Å; E279-L282 VanDerWaalsContact O-N 3.13Å
280H74.3Confident84.2Confident50 Ų5053.3 Ų53.323%0.23129%0.29CS..Hα-helixtrans-61.5-33.2175.8-172.7-90.7000113.1E203 S208 T276 R283E203-H280 IonicContact OE1-CE1 2.93Å; E203-H280 PolarHBondContact OE1-CE1 2.9Å; E203-H280 IonicContact OE1-NE2 2.9Å; E203-H280 PolarHBondContact OE1-NE2 3.01Å; E203-H280 IonicContact OE2-CE1 3.96Å; S208-H280 VanDerWaalsContact CB-CD2 3.41Å; S208-H280 WeakPolarHBondContact CB-CD2 3.41Å; S208-H280 WeakPolarHBondContact CB-NE2 3.25Å; S208-H280 PolarHBondContact OG-NE2 2.76Å; T276-H280 PolarHBondContact O-N 3.35Å; H280-R283 PolarHBondContact O-NE 3Å; H280-R283 PolarHBondContact O-NH2 3.05Å
281C77.9Confident84.6Confident35 Ų3551.9 Ų51.924%0.23628%0.281CS..THydrogen-bonded Turntrans-75.4-19.7177-71.50000114.2A277 K278 E279A277-C281 PolarHBondContact O-N 2.87Å; A277-C281 PolarHBondContact O-SG 2.89Å; K278-C281 PolarHBondContact O-N 2.92Å; E279-C281 VanDerWaalsContact C-N 3.26Å; E279-C281 PolarHBondContact O-N 3.37Å
282L80.3Confident85.3Confident58 Ų5850.4 Ų50.430%0.30427%0.27SS..BIsolated β-bridgetrans-83.7119.2-176.8-72.8170.8000110.2L17 C268 E279L17-L282 HydrophobicContact CD2-CD2 4.43Å; C268-L282 WeakPolarHBondContact CA-O 3.31Å; E279-L282 PolarHBondContact O-N 3.31Å; E279-L282 VanDerWaalsContact O-N 3.13Å
283R86.4Confident86.1Confident1 Ų148.3 Ų48.30%0.00425%0.248CC..  trans-117.655.8-177.7-49.9-61178.7111.7-5.7111.7V16 E203 E207 R266 H280V16-R283 HydrophobicContact CB-CB 4.35Å; V16-R283 WeakPolarHBondContact O-CB 3.08Å; V16-R283 PolarHBondContact O-N 3.38Å; V16-R283 VanDerWaalsContact O-N 3.17Å; E203-R283 IonicContact OE1-CZ 2.64Å; E203-R283 IonicContact OE1-NH2 3.6Å; E203-R283 PolarHBondContact OE1-NH2 3.34Å; E207-R283 IonicContact OE2-CZ 3.46Å; E207-R283 IonicContact OE2-NH1 3.22Å; E207-R283 PolarHBondContact OE2-NH1 3.23Å; E207-R283 IonicContact OE2-NH2 3.22Å; R266-R283 HydrophobicContact CB-CB 4.04Å; H280-R283 PolarHBondContact O-NE 3Å; H280-R283 PolarHBondContact O-NH2 3.05Å
284K87.2Confident86.9Confident89 Ų8944.1 Ų44.139%0.38723%0.233SC..  trans-67.8-46.6-173.6-67.6-171.8172.3-168.60112.9R266R266-K284 PolarHBondContact NH1-O 3.39Å
285G93.7Very high87.8Confident0 Ų038.7 Ų38.70%021%0.21CC..EExtended strand (participates in β ladder)trans-102.9-176.5-177.900000114.8Y233 T234 G267Y233-G285 WeakPolarHBondContact OH-CA 3.29Å; Y233-G285 PolarHBondContact OH-N 2.94Å; Y233-G285 VanDerWaalsContact OH-N 3.12Å; T234-G285 CarbonylContact O-C 3.51Å; T234-G285 WeakPolarHBondContact O-CA 3.39Å; G267-G285 PolarHBondContact N-O 3.18Å
286V97.5Very high88.4Confident0 Ų037.8 Ų37.80%021%0.209CC..EExtended strand (participates in β ladder)trans-106.5129.5174.1-174.50000108.6I166 V169 L170 Y233 T234 L264 T265 I288I166-V286 HydrophobicContact CG2-CB 4.21Å; I166-V286 HydrophobicContact CG2-CG1 4.46Å; I166-V286 HydrophobicContact CG2-CG2 4.02Å; V169-V286 HydrophobicContact CB-CG1 4.34Å; V169-V286 HydrophobicContact CB-CG2 4.1Å; V169-V286 HydrophobicContact CG1-CG1 4.14Å; V169-V286 HydrophobicContact CG1-CG2 3.87Å; L170-V286 HydrophobicContact CD2-CG2 3.67Å; L170-V286 HydrophobicContact CG-CG2 3.75Å; Y233-V286 WeakPolarHBondContact CA-O 3.26Å; T234-V286 HydrophobicContact CG2-CB 4.28Å; T234-V286 PolarHBondContact N-O 2.91Å; T234-V286 VanDerWaalsContact N-O 3.13Å; T234-V286 PolarHBondContact O-N 2.82Å; L264-V286 HydrophobicContact CB-CG1 4.14Å; T265-V286 WeakPolarHBondContact O-CA 3.28Å; V286-I288 HydrophobicContact CB-CD1 4.28Å; V286-I288 HydrophobicContact CG1-CD1 4.02Å; V286-I288 HydrophobicContact CG1-CG1 4.09Å
287R97.8Very high88.5Confident1 Ų137.5 Ų37.50%0.00420%0.2CC..EExtended strand (participates in β ladder)trans-92122.5166.6-79.4-169.9177.2-148.2-3.1108.5I206 E207 S208 S209 L231 Y233 L264 T265 C268 P269I206-R287 WeakPolarHBondContact O-CD 3.4Å; I206-R287 PolarHBondContact O-NH1 3.32Å; I206-R287 VanDerWaalsContact O-NH1 3.1Å; E207-R287 WeakPolarHBondContact O-CD 3.35Å; E207-R287 PolarHBondContact O-NE 3.1Å; S208-R287 VanDerWaalsContact C-NH1 3.25Å; S209-R287 VanDerWaalsContact N-NH1 3.11Å; S209-R287 PolarHBondContact O-NH1 3.28Å; L231-R287 HydrophobicContact CD1-CB 3.97Å; L231-R287 HydrophobicContact CD1-CG 4.38Å; L231-R287 HydrophobicContact CD2-CG 4.28Å; Y233-R287 HydrophobicContact CD2-CG 4.06Å; L264-R287 WeakPolarHBondContact CA-O 3.45Å; T265-R287 HydrophobicContact CG2-CB 4.26Å; T265-R287 PolarHBondContact N-O 2.8Å; T265-R287 PolarHBondContact O-N 3.09Å; C268-R287 VanDerWaalsContact O-CZ 3.26Å; C268-R287 PolarHBondContact O-NE 3.44Å; C268-R287 PolarHBondContact O-NH2 3.43Å; C268-R287 PolarHBondContact SG-NH2 2.96Å; P269-R287 PolarHBondContact O-NH2 2.91Å
288I98.6Very high88.1Confident0 Ų035.9 Ų35.90%019%0.192CC..EExtended strand (participates in β ladder)trans-111.698.9177-53.892.6000108.4I166 L231 L232 T234 I246 L262 F263 L264 V286 I290I166-I288 HydrophobicContact CD1-CD1 4.38Å; I166-I288 HydrophobicContact CD1-CG1 4.5Å; I166-I288 HydrophobicContact CG1-CD1 4.4Å; I166-I288 HydrophobicContact CG1-CG1 4.25Å; L231-I288 WeakPolarHBondContact CA-O 3.28Å; L232-I288 HydrophobicContact CB-CB 4.39Å; L232-I288 HydrophobicContact CB-CD1 4.38Å; L232-I288 PolarHBondContact N-O 3.16Å; L232-I288 PolarHBondContact O-N 3.04Å; T234-I288 HydrophobicContact CG2-CD1 3.83Å; I246-I288 HydrophobicContact CD1-CB 4.07Å; I246-I288 HydrophobicContact CD1-CD1 4.24Å; I246-I288 HydrophobicContact CD1-CG1 3.95Å; I246-I288 HydrophobicContact CD1-CG2 3.79Å; I246-I288 HydrophobicContact CG1-CG2 4.3Å; L262-I288 HydrophobicContact CD2-CG2 4.3Å; F263-I288 CarbonylContact O-C 3.56Å; F263-I288 WeakPolarHBondContact O-CA 3.43Å; L264-I288 HydrophobicContact CD1-CG2 4.14Å; L264-I288 HydrophobicContact CD2-CG1 4.27Å; L264-I288 HydrophobicContact CG-CB 4.42Å; L264-I288 HydrophobicContact CG-CG1 3.88Å; L264-I288 HydrophobicContact CG-CG2 4.05Å; V286-I288 HydrophobicContact CB-CD1 4.28Å; V286-I288 HydrophobicContact CG1-CD1 4.02Å; V286-I288 HydrophobicContact CG1-CG1 4.09Å; I288-I290 HydrophobicContact CG2-CG1 4.42Å
289A98.6Very high87.1Confident1 Ų131.6 Ų31.61%0.00819%0.188CC..EExtended strand (participates in β ladder)trans-84.4138.2175.800000110.5I206 I223 F230 L231 L262 F263 W291I206-A289 HydrophobicContact CD1-CB 3.96Å; I206-A289 HydrophobicContact CG1-CB 3.91Å; I223-A289 HydrophobicContact CD1-CB 4.14Å; F230-A289 CarbonylContact O-C 3.54Å; F230-A289 WeakPolarHBondContact O-CA 3.48Å; L231-A289 HydrophobicContact CD1-CB 4.12Å; L262-A289 CarbonylContact C-O 3.54Å; L262-A289 VanDerWaalsContact CA-O 3.29Å; L262-A289 WeakPolarHBondContact CA-O 3.46Å; F263-A289 HydrophobicContact CB-CB 4.46Å; F263-A289 PolarHBondContact N-O 2.91Å; F263-A289 PolarHBondContact O-N 3.49Å; A289-W291 HydrophobicContact CB-CE3 4.37Å; A289-W291 HydrophobicContact CB-CH2 3.41Å; A289-W291 VanDerWaalsContact CB-CH2 3.41Å; A289-W291 HydrophobicContact CB-CZ2 3.61Å; A289-W291 HydrophobicContact CB-CZ3 3.83Å
290I98.7Very high86.1Confident0 Ų034.3 Ų34.30%020%0.198CC..EExtended strand (participates in β ladder)trans-130.3121.2-178.8-42.2179.7000108.3F230 L232 I246 V249 F253 N261 L262 I288F230-I290 HydrophobicContact CB-CB 4.38Å; F230-I290 PolarHBondContact N-O 2.92Å; F230-I290 PolarHBondContact O-N 3.17Å; L232-I290 HydrophobicContact CD1-CD1 3.91Å; I246-I290 HydrophobicContact CG1-CD1 4.46Å; V249-I290 HydrophobicContact CG1-CD1 4.1Å; F253-I290 HydrophobicContact CE2-CG2 3.77Å; N261-I290 WeakPolarHBondContact O-CA 3.35Å; L262-I290 HydrophobicContact CD1-CG2 3.92Å; L262-I290 HydrophobicContact CG-CG1 4.19Å; L262-I290 HydrophobicContact CG-CG2 4.27Å; I288-I290 HydrophobicContact CG2-CG1 4.42Å
291W98.6Very high85.3Confident1 Ų136.6 Ų36.60%0.00421%0.209CC..EExtended strand (participates in β ladder)trans-117.5102.1179-64.6-78000110.4I206 I223 P227 H260 N261 F263 A289 L312 A313I206-W291 HydrophobicContact CD1-CZ2 4.05Å; I206-W291 HydrophobicContact CG1-CH2 4.32Å; I206-W291 HydrophobicContact CG1-CZ2 4.26Å; I223-W291 HydrophobicContact CD1-CZ2 4.48Å; P227-W291 HydrophobicContact CG-CZ2 4.29Å; P227-W291 PolarHBondContact O-NE1 3.02Å; P227-W291 VanDerWaalsContact O-NE1 3.09Å; H260-W291 VanDerWaalsContact CA-O 3.26Å; H260-W291 WeakPolarHBondContact CA-O 3.35Å; N261-W291 HydrophobicContact CB-CE3 4.44Å; N261-W291 PolarHBondContact N-O 3.44Å; N261-W291 VanDerWaalsContact N-O 3.08Å; N261-W291 PolarHBondContact O-N 3.42Å; F263-W291 HydrophobicContact CB-CH2 4Å; F263-W291 HydrophobicContact CB-CZ3 3.58Å; F263-W291 HydrophobicContact CG-CZ3 4.48Å; A289-W291 HydrophobicContact CB-CE3 4.37Å; A289-W291 HydrophobicContact CB-CH2 3.41Å; A289-W291 VanDerWaalsContact CB-CH2 3.41Å; A289-W291 HydrophobicContact CB-CZ2 3.61Å; A289-W291 HydrophobicContact CB-CZ3 3.83Å; W291-L312 HydrophobicContact CB-CD1 3.94Å; W291-L312 HydrophobicContact CD2-CB 3.91Å; W291-L312 HydrophobicContact CD2-CD1 4.18Å; W291-L312 HydrophobicContact CE3-CB 3.7Å; W291-L312 HydrophobicContact CE3-CD1 3.97Å; W291-L312 HydrophobicContact CE3-CG 4.44Å; W291-L312 HydrophobicContact CG-CD1 4.19Å; W291-L312 HydrophobicContact CH2-CB 4.16Å; W291-L312 HydrophobicContact CZ2-CB 4.37Å; W291-L312 HydrophobicContact CZ3-CB 3.81Å; W291-A313 HydrophobicContact CH2-CB 4.12Å
292P98.1Very high84.3Confident4 Ų444.2 Ų44.23%0.02624%0.241CC..EExtended strand (participates in β ladder)trans-67.6147162.834.2-37.8000109.1F230 F253 I258 A259 L341 L346 L349F230-P292 HydrophobicContact CD2-CG 4.33Å; F230-P292 HydrophobicContact CE2-CG 3.83Å; F253-P292 HydrophobicContact CE1-CB 4.3Å; F253-P292 HydrophobicContact CE2-CB 4.26Å; F253-P292 HydrophobicContact CZ-CB 4.04Å; F253-P292 HydrophobicContact CZ-CG 4.27Å; I258-P292 HydrophobicContact CG2-CB 3.66Å; A259-P292 WeakPolarHBondContact O-CA 2.93Å; P292-L341 HydrophobicContact CB-CD1 3.87Å; P292-L341 HydrophobicContact CG-CD1 4.06Å; P292-L346 HydrophobicContact CG-CD1 3.74Å; P292-L349 HydrophobicContact CB-CD2 3.61Å; P292-L349 HydrophobicContact CG-CD2 3.63Å
293R96.4Very high83.8Confident3 Ų342.8 Ų42.81%0.01124%0.236CC..EExtended strand (participates in β ladder)trans-157.9163.7-166.553.6169.8-66.8-173.52.1112.5A186 F187 A259 N261 S295 C296 V307 Y339A186-R293 HydrophobicContact CB-CG 4.47Å; F187-R293 VanDerWaalsContact CD2-NH1 3.35Å; A259-R293 HydrophobicContact CB-CG 4.15Å; A259-R293 WeakPolarHBondContact O-CG 3.33Å; A259-R293 PolarHBondContact O-N 3.33Å; N261-R293 WeakPolarHBondContact OD1-CD 3.39Å; N261-R293 PolarHBondContact OD1-NH1 3.46Å; R293-S295 PolarHBondContact O-N 2.68Å; R293-C296 PolarHBondContact NH2-SG 3.32Å; R293-V307 PolarHBondContact NH1-O 2.85Å; R293-Y339 WeakPolarHBondContact CA-O 3.49Å; R293-Y339 WeakPolarHBondContact CB-O 3.31Å
294T94.1Very high83.4Confident67 Ų6743.3 Ų43.341%0.41124%0.24SC..  trans-64.7126.3172.4-50.70000110Y339T294-Y339 PolarHBondContact N-O 3.45Å
295S92.3Very high83.3Confident35 Ų3539 Ų3925%0.24522%0.222CC..  trans-62.8134.3179.5-600000111.7A259 R293 F297A259-S295 WeakPolarHBondContact CB-OG 3.22Å; R293-S295 PolarHBondContact O-N 2.68Å; S295-F297 VanDerWaalsContact CB-CE2 3.47Å
296C86.8Confident83.1Confident28 Ų2839.4 Ų39.419%0.18922%0.224CC..  trans-113.595.5176.2-65.10000108.8G185 R293 Y339G185-C296 PolarHBondContact O-N 2.85Å; R293-C296 PolarHBondContact NH2-SG 3.32Å; C296-Y339 WeakPolarHBondContact SG-CD1 3.37Å; C296-Y339 WeakPolarHBondContact SG-CE1 3.48Å
297F80.6Confident82.9Confident73 Ų7339.4 Ų39.432%0.3222%0.224SC..  trans-95.7148.9174-56.5-56.9000110.8I82 I85 S295I82-F297 HydrophobicContact CG2-CD1 4.09Å; I82-F297 HydrophobicContact CG2-CE1 4.31Å; I85-F297 HydrophobicContact CG1-CE1 4.36Å; I85-F297 HydrophobicContact CG1-CZ 4.24Å; S295-F297 VanDerWaalsContact CB-CE2 3.47Å
298G64.9Low82.7Confident47 Ų4739.9 Ų39.949%0.48523%0.228SC..SBendtrans79.9179.6-174.500000114.7K300G298-K300 PolarHBondContact O-N 3.48Å
299A53Low82.6Confident79 Ų7940 Ų4065%0.65323%0.229SC*.  trans-88.477.8-177.700000111
300K53.3Low82.5Confident148 Ų14840.4 Ų40.464%0.64323%0.231SC*.  trans-97.4110.2172.3-70.8-175.3179.9-179.40110.4G298G298-K300 PolarHBondContact O-N 3.48Å
301E57.7Low82.4Confident98 Ų9840.7 Ų40.746%0.45823%0.233SC..  trans-128.780.8170.6-68.1-154.312400109N306 K319E301-N306 PolarHBondContact OE1-ND2 2.9Å; E301-K319 IonicContact OE1-NZ 3.19Å; E301-K319 PolarHBondContact OE1-NZ 3.26Å
302E56.7Low82.3Confident196 Ų19640.8 Ų40.892%0.91623%0.233SC*.  trans-129.219.7-178.2-69.5-174173.700113.2
303S68.1Low82.3Confident27 Ų2740.8 Ų40.819%0.18923%0.233CC..SBendtrans-123156.7176500000112F305S303-F305 VanDerWaalsContact CB-O 3.32Å; S303-F305 WeakPolarHBondContact CB-O 3.39Å; S303-F305 PolarHBondContact O-N 3.17Å; S303-F305 PolarHBondContact OG-O 3.14Å
304A79Confident82.4Confident12 Ų1240.9 Ų40.910%0.09924%0.236CC..SBendtrans-49.5-30177.200000114F318 K319 D323A304-F318 HydrophobicContact CB-CD1 3.9Å; A304-F318 HydrophobicContact CB-CE1 3.84Å; A304-K319 PolarHBondContact O-N 3.34Å; A304-K319 VanDerWaalsContact O-N 3.14Å; A304-D323 WeakPolarHBondContact CA-OD2 3.4Å; A304-D323 HydrophobicContact CB-CB 3.57Å; A304-D323 VanDerWaalsContact CB-OD2 3.28Å; A304-D323 WeakPolarHBondContact CB-OD2 3.42Å
305F85.9Confident82.6Confident0 Ų037.7 Ų37.70%022%0.216CC..SBendtrans-147.4158.7173.949.2-98.7000109S303 V307 E311 L316 P317 F318 V332 I335 V336S303-F305 VanDerWaalsContact CB-O 3.32Å; S303-F305 WeakPolarHBondContact CB-O 3.39Å; S303-F305 PolarHBondContact O-N 3.17Å; S303-F305 PolarHBondContact OG-O 3.14Å; F305-V307 HydrophobicContact CD2-CG2 4.11Å; F305-V307 HydrophobicContact CE2-CG2 3.86Å; F305-E311 HydrophobicContact CB-CG 4.4Å; F305-E311 HydrophobicContact CD2-CB 4.21Å; F305-E311 HydrophobicContact CD2-CG 3.65Å; F305-E311 HydrophobicContact CE2-CB 4.38Å; F305-E311 HydrophobicContact CE2-CG 4.28Å; F305-E311 HydrophobicContact CG-CG 4.28Å; F305-L316 HydrophobicContact CD2-CD2 4.45Å; F305-L316 HydrophobicContact CE1-CD2 4.3Å; F305-L316 HydrophobicContact CE2-CD2 4.05Å; F305-L316 HydrophobicContact CZ-CD2 3.99Å; F305-P317 WeakPolarHBondContact CB-O 3.4Å; F305-F318 HydrophobicContact CD1-CD1 4.11Å; F305-F318 AromaticContact CD1-CE1 3.74Å; F305-F318 HydrophobicContact CD1-CE1 3.74Å; F305-F318 HydrophobicContact CD1-CE2 4.18Å; F305-F318 HydrophobicContact CD1-CG 4.49Å; F305-F318 AromaticContact CD1-CZ 3.77Å; F305-F318 HydrophobicContact CD1-CZ 3.77Å; F305-F318 AromaticContact CE1-CE1 3.89Å; F305-F318 HydrophobicContact CE1-CE1 3.89Å; F305-F318 HydrophobicContact CE1-CE2 4.33Å; F305-F318 AromaticContact CE1-CZ 3.67Å; F305-F318 HydrophobicContact CE1-CZ 3.67Å; F305-V332 HydrophobicContact CE1-CG2 4.16Å; F305-V332 HydrophobicContact CZ-CB 4.41Å; F305-V332 HydrophobicContact CZ-CG1 4.08Å; F305-V332 HydrophobicContact CZ-CG2 4.16Å; F305-I335 HydrophobicContact CD2-CG2 4.5Å; F305-I335 HydrophobicContact CE1-CD1 4.17Å; F305-I335 HydrophobicContact CE2-CB 4.41Å; F305-I335 HydrophobicContact CE2-CG2 3.73Å; F305-I335 HydrophobicContact CZ-CB 4.17Å; F305-I335 HydrophobicContact CZ-CD1 4.02Å; F305-I335 HydrophobicContact CZ-CG2 3.92Å; F305-V336 HydrophobicContact CE2-CG2 4.48Å
306N89.5Confident82.8Confident7 Ų736 Ų364%0.03721%0.205CC..  trans-91.5123.6177.6-65.6-7.2000108.6F187 E301 A308 E311 K319F187-N306 HydrophobicContact CD1-CB 4.03Å; F187-N306 HydrophobicContact CE1-CB 3.93Å; F187-N306 HydrophobicContact CZ-CB 4.36Å; E301-N306 PolarHBondContact OE1-ND2 2.9Å; N306-A308 VanDerWaalsContact C-N 3.33Å; N306-A308 PolarHBondContact O-N 3.18Å; N306-E311 VanDerWaalsContact O-CG 3.32Å; N306-E311 WeakPolarHBondContact O-CG 3.47Å; N306-K319 VanDerWaalsContact CG-NZ 3.31Å; N306-K319 PolarHBondContact ND2-NZ 2.78Å; N306-K319 VanDerWaalsContact ND2-NZ 3.18Å; N306-K319 PolarHBondContact OD1-NZ 3.29Å
307V93Very high83.2Confident0 Ų034.9 Ų34.90%020%0.197CC..  trans-7681.1-176-173.50000111.4F187 R293 F305 E311 L312 I335 V336 Y339F187-V307 WeakPolarHBondContact CD2-O 3.5Å; F187-V307 HydrophobicContact CE2-CB 4.4Å; F187-V307 WeakPolarHBondContact CE2-O 3.33Å; R293-V307 PolarHBondContact NH1-O 2.85Å; F305-V307 HydrophobicContact CD2-CG2 4.11Å; F305-V307 HydrophobicContact CE2-CG2 3.86Å; V307-E311 HydrophobicContact CG1-CB 4.36Å; V307-L312 HydrophobicContact CG1-CD2 3.96Å; V307-L312 HydrophobicContact CG1-CG 4.04Å; V307-I335 HydrophobicContact CG2-CG2 3.78Å; V307-V336 HydrophobicContact CG1-CB 4.41Å; V307-V336 HydrophobicContact CG1-CG1 4.22Å; V307-V336 HydrophobicContact CG1-CG2 4.12Å; V307-V336 HydrophobicContact CG2-CG2 4.34Å; V307-Y339 HydrophobicContact CB-CD2 3.52Å; V307-Y339 HydrophobicContact CB-CE2 3.89Å; V307-Y339 HydrophobicContact CB-CG 4.06Å; V307-Y339 HydrophobicContact CG1-CD2 4.08Å; V307-Y339 HydrophobicContact CG1-CG 4.45Å; V307-Y339 HydrophobicContact CG2-CD2 3.42Å; V307-Y339 VanDerWaalsContact CG2-CD2 3.42Å; V307-Y339 HydrophobicContact CG2-CE2 3.5Å; V307-Y339 HydrophobicContact CG2-CG 4.43Å
308A93.9Very high83.9Confident12 Ų1231.5 Ų31.510%0.09918%0.182CC..SBendtrans-103.3-156.3174.800000109.6F187 N306 C310 E311 L312F187-A308 HydrophobicContact CB-CB 3.9Å; N306-A308 VanDerWaalsContact C-N 3.33Å; N306-A308 PolarHBondContact O-N 3.18Å; A308-C310 VanDerWaalsContact C-N 3.34Å; A308-C310 PolarHBondContact O-N 3.44Å; A308-E311 WeakPolarHBondContact CA-OE2 3.23Å; A308-E311 WeakPolarHBondContact CB-OE2 3.49Å; A308-E311 PolarHBondContact N-OE2 3.22Å; A308-L312 WeakPolarHBondContact O-CD1 3.34Å; A308-L312 VanDerWaalsContact O-CG 3.28Å; A308-L312 WeakPolarHBondContact O-CG 3.45Å; A308-L312 PolarHBondContact O-N 3.08Å
309L94.9Very high85.2Confident3 Ų330.9 Ų30.92%0.01617%0.166CC..Hα-helixtrans-59.2-37.4-179.270.393.8000114.5N182 H196 Y198 N261 F263 A313N182-L309 WeakPolarHBondContact OD1-CB 3.19Å; N182-L309 WeakPolarHBondContact OD1-CD2 3.35Å; N182-L309 PolarHBondContact OD1-N 3.03Å; H196-L309 HydrophobicContact CB-CD2 4.38Å; Y198-L309 HydrophobicContact CE1-CD1 4.37Å; N261-L309 HydrophobicContact CB-CB 4.34Å; F263-L309 HydrophobicContact CD2-CD1 3.62Å; F263-L309 HydrophobicContact CE2-CD1 3.92Å; L309-A313 WeakPolarHBondContact O-CB 3.36Å; L309-A313 PolarHBondContact O-N 3.29Å; L309-A313 VanDerWaalsContact O-N 3.16Å
310C96.5Very high87.1Confident8 Ų829.6 Ų29.65%0.05415%0.148CC..Hα-helixtrans-71-44.3-173.2-67.20000110.1A308 L312 A313 G314 H315A308-C310 VanDerWaalsContact C-N 3.34Å; A308-C310 PolarHBondContact O-N 3.44Å; C310-L312 VanDerWaalsContact C-N 3.35Å; C310-L312 PolarHBondContact O-N 3.46Å; C310-A313 CarbonylContact O-C 3.52Å; C310-A313 WeakPolarHBondContact O-CB 3.4Å; C310-A313 PolarHBondContact O-N 2.89Å; C310-A313 VanDerWaalsContact O-N 3.1Å; C310-G314 PolarHBondContact O-N 3.48Å; C310-H315 CarbonylContact C-O 3.53Å; C310-H315 HydrophobicContact CB-CB 4.19Å; C310-H315 PolarHBondContact O-N 2.66Å; C310-H315 VanDerWaalsContact O-O 3.12Å
311E97.1Very high89Confident6 Ų627.6 Ų27.63%0.02814%0.139CC..Hα-helixtrans-69-37.3-175.6-61.474-164.500111.2F305 N306 V307 A308 A313 G314 H315 L316 P317F305-E311 HydrophobicContact CB-CG 4.4Å; F305-E311 HydrophobicContact CD2-CB 4.21Å; F305-E311 HydrophobicContact CD2-CG 3.65Å; F305-E311 HydrophobicContact CE2-CB 4.38Å; F305-E311 HydrophobicContact CE2-CG 4.28Å; F305-E311 HydrophobicContact CG-CG 4.28Å; N306-E311 VanDerWaalsContact O-CG 3.32Å; N306-E311 WeakPolarHBondContact O-CG 3.47Å; V307-E311 HydrophobicContact CG1-CB 4.36Å; A308-E311 WeakPolarHBondContact CA-OE2 3.23Å; A308-E311 WeakPolarHBondContact CB-OE2 3.49Å; A308-E311 PolarHBondContact N-OE2 3.22Å; E311-A313 VanDerWaalsContact C-N 3.32Å; E311-G314 PolarHBondContact O-N 2.89Å; E311-H315 VanDerWaalsContact CA-O 3.23Å; E311-H315 WeakPolarHBondContact CA-O 3.21Å; E311-H315 PolarHBondContact N-O 3.1Å; E311-L316 HydrophobicContact CB-CD2 4.03Å; E311-L316 HydrophobicContact CG-CD2 4.21Å; E311-P317 WeakPolarHBondContact OE1-CD 3.43Å; E311-P317 WeakPolarHBondContact OE1-CG 3.27Å
312L97.6Very high90.8Very high3 Ų330.2 Ų30.22%0.01615%0.149CC..Hα-helixtrans-63.9-37171.3-69.4169.3000112.1P227 N261 W291 V307 A308 C310 G314 V336 L340P227-L312 HydrophobicContact CB-CD2 4.36Å; P227-L312 WeakPolarHBondContact CD-O 3.36Å; P227-L312 HydrophobicContact CG-CB 4.44Å; P227-L312 HydrophobicContact CG-CD2 4.2Å; P227-L312 WeakPolarHBondContact CG-O 3.28Å; N261-L312 HydrophobicContact CB-CD1 3.7Å; N261-L312 WeakPolarHBondContact OD1-CD1 3.49Å; W291-L312 HydrophobicContact CB-CD1 3.94Å; W291-L312 HydrophobicContact CD2-CB 3.91Å; W291-L312 HydrophobicContact CD2-CD1 4.18Å; W291-L312 HydrophobicContact CE3-CB 3.7Å; W291-L312 HydrophobicContact CE3-CD1 3.97Å; W291-L312 HydrophobicContact CE3-CG 4.44Å; W291-L312 HydrophobicContact CG-CD1 4.19Å; W291-L312 HydrophobicContact CH2-CB 4.16Å; W291-L312 HydrophobicContact CZ2-CB 4.37Å; W291-L312 HydrophobicContact CZ3-CB 3.81Å; V307-L312 HydrophobicContact CG1-CD2 3.96Å; V307-L312 HydrophobicContact CG1-CG 4.04Å; A308-L312 WeakPolarHBondContact O-CD1 3.34Å; A308-L312 VanDerWaalsContact O-CG 3.28Å; A308-L312 WeakPolarHBondContact O-CG 3.45Å; A308-L312 PolarHBondContact O-N 3.08Å; C310-L312 VanDerWaalsContact C-N 3.35Å; C310-L312 PolarHBondContact O-N 3.46Å; L312-G314 VanDerWaalsContact C-N 3.29Å; L312-G314 PolarHBondContact O-N 3.2Å; L312-V336 HydrophobicContact CD2-CG1 3.77Å; L312-L340 HydrophobicContact CD2-CD2 3.64Å
313A97.8Very high92.6Very high4 Ų423.6 Ų23.63%0.03312%0.12CC..Hα-helixtrans-75.9-14.9177.500000114.2L204 I206 F263 W291 L309 C310 E311L204-A313 HydrophobicContact CD1-CB 4.04Å; I206-A313 HydrophobicContact CG2-CB 4.32Å; F263-A313 HydrophobicContact CB-CB 4.45Å; F263-A313 HydrophobicContact CD1-CB 3.6Å; F263-A313 HydrophobicContact CD2-CB 3.64Å; F263-A313 HydrophobicContact CE1-CB 3.44Å; F263-A313 VanDerWaalsContact CE1-CB 3.44Å; F263-A313 HydrophobicContact CE2-CB 3.5Å; F263-A313 VanDerWaalsContact CE2-CB 3.5Å; F263-A313 HydrophobicContact CG-CB 3.65Å; F263-A313 HydrophobicContact CZ-CB 3.34Å; W291-A313 HydrophobicContact CH2-CB 4.12Å; L309-A313 WeakPolarHBondContact O-CB 3.36Å; L309-A313 PolarHBondContact O-N 3.29Å; L309-A313 VanDerWaalsContact O-N 3.16Å; C310-A313 CarbonylContact O-C 3.52Å; C310-A313 WeakPolarHBondContact O-CB 3.4Å; C310-A313 PolarHBondContact O-N 2.89Å; C310-A313 VanDerWaalsContact O-N 3.1Å; E311-A313 VanDerWaalsContact C-N 3.32Å
314G97.8Very high94Very high6 Ų622.8 Ų22.86%0.06211%0.113CC..THydrogen-bonded Turntrans112.25.2178.700000115.4Y64 V65 C310 E311 L312Y64-G314 WeakPolarHBondContact CA-O 3.41Å; V65-G314 PolarHBondContact N-O 3.4Å; C310-G314 PolarHBondContact O-N 3.48Å; E311-G314 PolarHBondContact O-N 2.89Å; L312-G314 VanDerWaalsContact C-N 3.29Å; L312-G314 PolarHBondContact O-N 3.2Å
315H98.1Very high94.8Very high0 Ų027.4 Ų27.40%013%0.133CC..EExtended strand (participates in β ladder)trans-103.2117.2177.3176.8-160.1000110.8Q67 L138 Y198 L200 L204 C310 E311 P317Q67-H315 PolarHBondContact OE1-CE1 3.49Å; Q67-H315 PolarHBondContact OE1-NE2 2.97Å; L138-H315 WeakPolarHBondContact CD1-CE1 3.27Å; Y198-H315 AromaticContact CE2-ND1 3.66Å; Y198-H315 AromaticContact CZ-ND1 3.98Å; L200-H315 HydrophobicContact CD2-CB 3.99Å; L204-H315 HydrophobicContact CD1-CB 4.39Å; L204-H315 HydrophobicContact CD2-CB 4.37Å; C310-H315 CarbonylContact C-O 3.53Å; C310-H315 HydrophobicContact CB-CB 4.19Å; C310-H315 PolarHBondContact O-N 2.66Å; C310-H315 VanDerWaalsContact O-O 3.12Å; E311-H315 VanDerWaalsContact CA-O 3.23Å; E311-H315 WeakPolarHBondContact CA-O 3.21Å; E311-H315 PolarHBondContact N-O 3.1Å; H315-P317 WeakPolarHBondContact O-CD 3.38Å
316L97Very high95.3Very high0 Ų031.3 Ų31.30%016%0.159CC..EExtended strand (participates in β ladder)trans-114.693.1-169.2-52.1174.3000111.7L58 Y64 V65 Q67 F305 E311 F318 V332L58-L316 HydrophobicContact CD1-CD1 3.89Å; Y64-L316 HydrophobicContact CD1-CD1 3.9Å; Y64-L316 HydrophobicContact CD1-CD2 4.09Å; Y64-L316 HydrophobicContact CD1-CG 4.02Å; Y64-L316 HydrophobicContact CG-CD1 3.9Å; Y64-L316 HydrophobicContact CG-CG 4.47Å; V65-L316 PolarHBondContact O-N 2.9Å; Q67-L316 PolarHBondContact N-O 3.22Å; F305-L316 HydrophobicContact CD2-CD2 4.45Å; F305-L316 HydrophobicContact CE1-CD2 4.3Å; F305-L316 HydrophobicContact CE2-CD2 4.05Å; F305-L316 HydrophobicContact CZ-CD2 3.99Å; E311-L316 HydrophobicContact CB-CD2 4.03Å; E311-L316 HydrophobicContact CG-CD2 4.21Å; L316-F318 HydrophobicContact CB-CD2 4.08Å; L316-F318 HydrophobicContact CB-CE2 3.64Å; L316-F318 HydrophobicContact CD1-CE2 4.01Å; L316-F318 HydrophobicContact CD1-CZ 4.39Å; L316-F318 WeakPolarHBondContact O-CD2 3.43Å; L316-F318 PolarHBondContact O-N 3.4Å; L316-F318 VanDerWaalsContact O-N 3.14Å; L316-V332 HydrophobicContact CD1-CB 4.28Å; L316-V332 HydrophobicContact CD1-CG1 3.71Å; L316-V332 HydrophobicContact CD1-CG2 3.56Å; L316-V332 HydrophobicContact CD2-CG1 3.93Å; L316-V332 HydrophobicContact CG-CG1 4.46Å
317P94.8Very high95.5Very high4 Ų431.6 Ų31.63%0.02616%0.162CC..EExtended strand (participates in β ladder)trans-77.293.8171.631-34.3000110.8Q67 F305 E311 H315Q67-P317 CarbonylContact O-C 3.51Å; Q67-P317 WeakPolarHBondContact O-CA 3.27Å; F305-P317 WeakPolarHBondContact CB-O 3.4Å; E311-P317 WeakPolarHBondContact OE1-CD 3.43Å; E311-P317 WeakPolarHBondContact OE1-CG 3.27Å; H315-P317 WeakPolarHBondContact O-CD 3.38Å
318F95.4Very high95.7Very high2 Ų234.2 Ų34.21%0.00918%0.178CC..EExtended strand (participates in β ladder)trans-70.5137.3174.8-77.4-94.5000111.6A66 Q67 N69 A304 F305 L316 D323 F324 A327A66-F318 HydrophobicContact CB-CD2 3.91Å; A66-F318 HydrophobicContact CB-CE2 3.58Å; Q67-F318 PolarHBondContact O-N 3.29Å; N69-F318 CarbonylContact C-O 3.55Å; N69-F318 PolarHBondContact N-O 2.6Å; A304-F318 HydrophobicContact CB-CD1 3.9Å; A304-F318 HydrophobicContact CB-CE1 3.84Å; F305-F318 HydrophobicContact CD1-CD1 4.11Å; F305-F318 AromaticContact CD1-CE1 3.74Å; F305-F318 HydrophobicContact CD1-CE1 3.74Å; F305-F318 HydrophobicContact CD1-CE2 4.18Å; F305-F318 HydrophobicContact CD1-CG 4.49Å; F305-F318 AromaticContact CD1-CZ 3.77Å; F305-F318 HydrophobicContact CD1-CZ 3.77Å; F305-F318 AromaticContact CE1-CE1 3.89Å; F305-F318 HydrophobicContact CE1-CE1 3.89Å; F305-F318 HydrophobicContact CE1-CE2 4.33Å; F305-F318 AromaticContact CE1-CZ 3.67Å; F305-F318 HydrophobicContact CE1-CZ 3.67Å; L316-F318 HydrophobicContact CB-CD2 4.08Å; L316-F318 HydrophobicContact CB-CE2 3.64Å; L316-F318 HydrophobicContact CD1-CE2 4.01Å; L316-F318 HydrophobicContact CD1-CZ 4.39Å; L316-F318 WeakPolarHBondContact O-CD2 3.43Å; L316-F318 PolarHBondContact O-N 3.4Å; L316-F318 VanDerWaalsContact O-N 3.14Å; F318-D323 HydrophobicContact CD1-CB 3.85Å; F318-D323 HydrophobicContact CE1-CB 4.07Å; F318-D323 WeakPolarHBondContact CE1-O 3.45Å; F318-F324 HydrophobicContact CB-CB 3.77Å; F318-F324 HydrophobicContact CB-CD2 4.24Å; F318-F324 HydrophobicContact CB-CG 4.48Å; F318-F324 HydrophobicContact CD1-CB 4.26Å; F318-F324 HydrophobicContact CD2-CD2 4.04Å; F318-F324 HydrophobicContact CG-CB 3.94Å; F318-F324 HydrophobicContact CG-CD2 4.26Å; F318-A327 HydrophobicContact CE1-CB 3.67Å; F318-A327 HydrophobicContact CZ-CB 3.45Å; F318-A327 VanDerWaalsContact CZ-CB 3.45Å
319K91.9Very high95.8Very high33 Ų3334.5 Ų34.514%0.14318%0.178CC..SBendtrans-92.2-11.6-177.9-63.1173170.4-178.10113.8V70 E301 A304 N306V70-K319 WeakPolarHBondContact CA-O 3.16Å; E301-K319 IonicContact OE1-NZ 3.19Å; E301-K319 PolarHBondContact OE1-NZ 3.26Å; A304-K319 PolarHBondContact O-N 3.34Å; A304-K319 VanDerWaalsContact O-N 3.14Å; N306-K319 VanDerWaalsContact CG-NZ 3.31Å; N306-K319 PolarHBondContact ND2-NZ 2.78Å; N306-K319 VanDerWaalsContact ND2-NZ 3.18Å; N306-K319 PolarHBondContact OD1-NZ 3.29Å
320N92.5Very high95.9Very high53 Ų5343.9 Ų43.928%0.28321%0.213SC..SBendtrans-146.2152.4-179.573.582.2000111.7L68 K322 D323 F324L68-N320 VanDerWaalsContact CD1-C 3.45Å; L68-N320 WeakPolarHBondContact CD1-O 3.16Å; N320-K322 PolarHBondContact OD1-N 2.96Å; N320-D323 PolarHBondContact ND2-OD2 2.97Å; N320-D323 WeakPolarHBondContact OD1-CB 3.47Å; N320-D323 PolarHBondContact OD1-N 2.89Å; N320-D323 PolarHBondContact OD1-OD2 3.18Å; N320-F324 WeakPolarHBondContact O-CB 3.38Å; N320-F324 PolarHBondContact O-N 3.43Å; N320-F324 VanDerWaalsContact O-N 3.13Å
321K94.7Very high95.9Very high106 Ų10647.7 Ų47.746%0.46123%0.23SC..Hα-helixtrans-67.8-38.8-173.1-173.7161.5-177.9154.20113.2L68 F324 E325L68-K321 HydrophobicContact CD2-CB 4.14Å; L68-K321 HydrophobicContact CD2-CD 4.5Å; L68-K321 HydrophobicContact CD2-CG 4.22Å; K321-F324 WeakPolarHBondContact O-CB 3.22Å; K321-F324 PolarHBondContact O-N 3.08Å; K321-E325 WeakPolarHBondContact CE-OE1 3.33Å; K321-E325 HydrophobicContact CG-CG 4.18Å; K321-E325 IonicContact NZ-OE1 3.57Å; K321-E325 WeakPolarHBondContact O-CB 3.2Å; K321-E325 WeakPolarHBondContact O-CG 3.31Å; K321-E325 PolarHBondContact O-N 2.95Å
322K94.6Very high95.8Very high152 Ų15247.5 Ų47.566%0.66123%0.229SC*.Hα-helixtrans-61.3-52.3-178.2-178-173.9175.8-1720111.3N320 F324 E325 C326N320-K322 PolarHBondContact OD1-N 2.96Å; K322-F324 VanDerWaalsContact C-N 3.31Å; K322-F324 PolarHBondContact O-N 2.91Å; K322-E325 PolarHBondContact O-N 3.16Å; K322-C326 WeakPolarHBondContact O-CB 3.49Å; K322-C326 PolarHBondContact O-N 3.45Å; K322-C326 PolarHBondContact O-SG 3.28Å
323D94.7Very high95.8Very high58 Ų5849.6 Ų49.631%0.3124%0.24SC..Hα-helixtrans-66.4-39178.9-65.1-20.7000110.6A304 F318 N320 E325 A327A304-D323 WeakPolarHBondContact CA-OD2 3.4Å; A304-D323 HydrophobicContact CB-CB 3.57Å; A304-D323 VanDerWaalsContact CB-OD2 3.28Å; A304-D323 WeakPolarHBondContact CB-OD2 3.42Å; F318-D323 HydrophobicContact CD1-CB 3.85Å; F318-D323 HydrophobicContact CE1-CB 4.07Å; F318-D323 WeakPolarHBondContact CE1-O 3.45Å; N320-D323 PolarHBondContact ND2-OD2 2.97Å; N320-D323 WeakPolarHBondContact OD1-CB 3.47Å; N320-D323 PolarHBondContact OD1-N 2.89Å; N320-D323 PolarHBondContact OD1-OD2 3.18Å; D323-E325 VanDerWaalsContact C-N 3.33Å; D323-E325 PolarHBondContact O-N 2.95Å; D323-A327 WeakPolarHBondContact O-CB 3.46Å; D323-A327 PolarHBondContact O-N 3.33Å
324F96.4Very high95.6Very high10 Ų1052.6 Ų52.64%0.04426%0.261CS..Hα-helixtrans-58.3-41.8174.4170.4-103.5000112.6E54 R56 A66 L68 F318 N320 K321 K322E54-F324 HydrophobicContact CB-CE1 4.26Å; E54-F324 HydrophobicContact CB-CZ 4.15Å; E54-F324 WeakPolarHBondContact O-CZ 3.38Å; R56-F324 HydrophobicContact CB-CZ 4.46Å; R56-F324 HydrophobicContact CG-CE2 3.89Å; R56-F324 HydrophobicContact CG-CZ 3.92Å; R56-F324 PolarHBondContact NE-O 3.21Å; R56-F324 PolarHBondContact NH2-O 3.25Å; A66-F324 HydrophobicContact CB-CD2 4.23Å; A66-F324 HydrophobicContact CB-CE2 4.07Å; L68-F324 HydrophobicContact CB-CB 4.41Å; L68-F324 HydrophobicContact CB-CD1 4.02Å; L68-F324 HydrophobicContact CB-CD2 3.98Å; L68-F324 HydrophobicContact CB-CE1 4.26Å; L68-F324 HydrophobicContact CB-CE2 4.22Å; L68-F324 HydrophobicContact CB-CG 3.86Å; L68-F324 HydrophobicContact CB-CZ 4.35Å; L68-F324 HydrophobicContact CD1-CB 3.92Å; L68-F324 HydrophobicContact CD1-CG 4.29Å; L68-F324 HydrophobicContact CD2-CD1 4.23Å; L68-F324 HydrophobicContact CG-CG 4.47Å; F318-F324 HydrophobicContact CB-CB 3.77Å; F318-F324 HydrophobicContact CB-CD2 4.24Å; F318-F324 HydrophobicContact CB-CG 4.48Å; F318-F324 HydrophobicContact CD1-CB 4.26Å; F318-F324 HydrophobicContact CD2-CD2 4.04Å; F318-F324 HydrophobicContact CG-CB 3.94Å; F318-F324 HydrophobicContact CG-CD2 4.26Å; N320-F324 WeakPolarHBondContact O-CB 3.38Å; N320-F324 PolarHBondContact O-N 3.43Å; N320-F324 VanDerWaalsContact O-N 3.13Å; K321-F324 WeakPolarHBondContact O-CB 3.22Å; K321-F324 PolarHBondContact O-N 3.08Å; K322-F324 VanDerWaalsContact C-N 3.31Å; K322-F324 PolarHBondContact O-N 2.91Å
325E96.5Very high95.5Very high108 Ų10853.9 Ų53.951%0.50527%0.266SS..Hα-helixtrans-77.6-39.3-178.3-73173.8163.300112.3K321 K322 D323K321-E325 WeakPolarHBondContact CE-OE1 3.33Å; K321-E325 HydrophobicContact CG-CG 4.18Å; K321-E325 IonicContact NZ-OE1 3.57Å; K321-E325 WeakPolarHBondContact O-CB 3.2Å; K321-E325 WeakPolarHBondContact O-CG 3.31Å; K321-E325 PolarHBondContact O-N 2.95Å; K322-E325 PolarHBondContact O-N 3.16Å; D323-E325 VanDerWaalsContact C-N 3.33Å; D323-E325 PolarHBondContact O-N 2.95Å
326C95.6Very high95.4Very high83 Ų8353.9 Ų53.956%0.56127%0.266SS*.Hα-helixtrans-88.8-18.8-173.1-62.90000114.3K322 T328K322-C326 WeakPolarHBondContact O-CB 3.49Å; K322-C326 PolarHBondContact O-N 3.45Å; K322-C326 PolarHBondContact O-SG 3.28Å; C326-T328 PolarHBondContact O-N 3.1Å
327A95.6Very high95.3Very high12 Ų1257.8 Ų57.810%0.09928%0.284CS..  trans-59133.9-172.700000113.1R56 F318 D323R56-A327 PolarHBondContact NH2-O 3.48Å; F318-A327 HydrophobicContact CE1-CB 3.67Å; F318-A327 HydrophobicContact CZ-CB 3.45Å; F318-A327 VanDerWaalsContact CZ-CB 3.45Å; D323-A327 WeakPolarHBondContact O-CB 3.46Å; D323-A327 PolarHBondContact O-N 3.33Å
328T96.8Very high95.2Very high55 Ų5564.7 Ų64.734%0.33731%0.314SS..  trans-107156.4171.462.50000110.8C326 R330 E331 V332C326-T328 PolarHBondContact O-N 3.1Å; T328-R330 PolarHBondContact O-N 3.17Å; T328-E331 PolarHBondContact N-OE2 2.94Å; T328-E331 PolarHBondContact O-N 2.63Å; T328-E331 VanDerWaalsContact O-N 3.11Å; T328-E331 VanDerWaalsContact OG1-CD 3.23Å; T328-E331 VanDerWaalsContact OG1-CG 3.29Å; T328-E331 WeakPolarHBondContact OG1-CG 3.24Å; T328-E331 PolarHBondContact OG1-N 3.37Å; T328-E331 PolarHBondContact OG1-OE2 3.21Å; T328-V332 PolarHBondContact O-N 3.38Å
329E96.4Very high95.2Very high19 Ų1966.3 Ų66.39%0.08932%0.32CS..Hα-helixtrans-56.2-37.6175.1178.2167.9106.900111.7G60 S61 N62 G63 Y64 E331 V332 I333G60-E329 VanDerWaalsContact CA-CD 3.47Å; G60-E329 WeakPolarHBondContact CA-OE1 3.41Å; G60-E329 WeakPolarHBondContact CA-OE2 3.47Å; S61-E329 PolarHBondContact N-OE1 3.41Å; S61-E329 PolarHBondContact N-OE2 2.96Å; N62-E329 WeakPolarHBondContact CA-OE2 3.5Å; N62-E329 HydrophobicContact CB-CG 4.48Å; N62-E329 WeakPolarHBondContact CB-OE2 3.33Å; N62-E329 PolarHBondContact N-OE1 3.24Å; N62-E329 PolarHBondContact N-OE2 3.36Å; N62-E329 PolarHBondContact ND2-OE1 3.4Å; N62-E329 VanDerWaalsContact ND2-OE1 3.1Å; G63-E329 PolarHBondContact N-OE2 2.97Å; Y64-E329 HydrophobicContact CD2-CB 4.49Å; Y64-E329 HydrophobicContact CD2-CG 3.79Å; Y64-E329 HydrophobicContact CE2-CG 3.83Å; E329-E331 PolarHBondContact O-N 3.06Å; E329-V332 PolarHBondContact O-N 2.83Å; E329-I333 HydrophobicContact CG-CD1 3.9Å; E329-I333 HydrophobicContact CG-CG1 4.4Å; E329-I333 VanDerWaalsContact O-CG1 3.29Å; E329-I333 WeakPolarHBondContact O-CG1 3.48Å; E329-I333 PolarHBondContact O-N 2.93Å
330R96.8Very high95.4Very high200 Ų20065.4 Ų65.476%0.75532%0.317SS*.Hα-helixtrans-61.5-41.8176.9-174.5179.665.41700.3112.7T328 S334T328-R330 PolarHBondContact O-N 3.17Å; R330-S334 WeakPolarHBondContact O-CB 3.33Å; R330-S334 PolarHBondContact O-N 2.74Å
331E95.4Very high95.5Very high88 Ų8863.9 Ų63.941%0.41131%0.309SS..Hα-helixtrans-68.9-39.8177.4-73.1160.7156.700111.4T328 E329 S334 I335T328-E331 PolarHBondContact N-OE2 2.94Å; T328-E331 PolarHBondContact O-N 2.63Å; T328-E331 VanDerWaalsContact O-N 3.11Å; T328-E331 VanDerWaalsContact OG1-CD 3.23Å; T328-E331 VanDerWaalsContact OG1-CG 3.29Å; T328-E331 WeakPolarHBondContact OG1-CG 3.24Å; T328-E331 PolarHBondContact OG1-N 3.37Å; T328-E331 PolarHBondContact OG1-OE2 3.21Å; E329-E331 PolarHBondContact O-N 3.06Å; E331-S334 WeakPolarHBondContact O-CB 3.4Å; E331-S334 PolarHBondContact O-N 3.47Å; E331-I335 VanDerWaalsContact O-CG1 3.32Å; E331-I335 WeakPolarHBondContact O-CG1 3.27Å; E331-I335 PolarHBondContact O-N 3.17Å
332V96.3Very high95.6Very high1 Ų161.4 Ų61.41%0.00630%0.303CS..Hα-helixtrans-59-49.8174.1171.10000110.8L58 Y64 F305 L316 T328 E329 S334 I335 V336L58-V332 HydrophobicContact CD1-CG2 3.57Å; Y64-V332 HydrophobicContact CD1-CG1 3.97Å; Y64-V332 HydrophobicContact CD2-CB 4.46Å; Y64-V332 HydrophobicContact CD2-CG1 4Å; Y64-V332 HydrophobicContact CE1-CG1 3.81Å; Y64-V332 HydrophobicContact CE2-CB 4.39Å; Y64-V332 HydrophobicContact CE2-CG1 3.8Å; Y64-V332 HydrophobicContact CG-CG1 4.09Å; F305-V332 HydrophobicContact CE1-CG2 4.16Å; F305-V332 HydrophobicContact CZ-CB 4.41Å; F305-V332 HydrophobicContact CZ-CG1 4.08Å; F305-V332 HydrophobicContact CZ-CG2 4.16Å; L316-V332 HydrophobicContact CD1-CB 4.28Å; L316-V332 HydrophobicContact CD1-CG1 3.71Å; L316-V332 HydrophobicContact CD1-CG2 3.56Å; L316-V332 HydrophobicContact CD2-CG1 3.93Å; L316-V332 HydrophobicContact CG-CG1 4.46Å; T328-V332 PolarHBondContact O-N 3.38Å; E329-V332 PolarHBondContact O-N 2.83Å; V332-S334 VanDerWaalsContact C-N 3.27Å; V332-S334 PolarHBondContact O-N 3Å; V332-I335 PolarHBondContact O-N 2.55Å; V332-I335 VanDerWaalsContact O-N 3.09Å; V332-V336 HydrophobicContact CG1-CG2 4.26Å; V332-V336 WeakPolarHBondContact O-CG2 3.15Å; V332-V336 PolarHBondContact O-N 2.71Å
333I96.4Very high95.5Very high48 Ų4859.5 Ų59.525%0.24630%0.3CS..Hα-helixtrans-56.3-45.4176.6-69.3166.9000110.1Y64 F226 E329 I335 V336 Q337Y64-I333 HydrophobicContact CE2-CG1 4.2Å; F226-I333 HydrophobicContact CD1-CG1 3.92Å; F226-I333 HydrophobicContact CD1-CG2 4.33Å; F226-I333 HydrophobicContact CD2-CG2 4.42Å; F226-I333 HydrophobicContact CE1-CB 4.1Å; F226-I333 HydrophobicContact CE1-CG1 3.85Å; F226-I333 HydrophobicContact CE1-CG2 3.98Å; F226-I333 HydrophobicContact CE2-CG2 4.08Å; F226-I333 HydrophobicContact CZ-CB 4.34Å; F226-I333 HydrophobicContact CZ-CG2 3.84Å; E329-I333 HydrophobicContact CG-CD1 3.9Å; E329-I333 HydrophobicContact CG-CG1 4.4Å; E329-I333 VanDerWaalsContact O-CG1 3.29Å; E329-I333 WeakPolarHBondContact O-CG1 3.48Å; E329-I333 PolarHBondContact O-N 2.93Å; I333-I335 VanDerWaalsContact C-N 3.33Å; I333-I335 PolarHBondContact O-N 2.64Å; I333-V336 PolarHBondContact O-N 2.75Å; I333-Q337 VanDerWaalsContact O-CB 3.25Å; I333-Q337 WeakPolarHBondContact O-CB 3.41Å; I333-Q337 PolarHBondContact O-N 3.23Å
334S95Very high95.5Very high67 Ų6760.9 Ų60.947%0.46931%0.307SS..Hα-helixtrans-61.7-37.8177.6-177.10000113R330 E331 V332 K338R330-S334 WeakPolarHBondContact O-CB 3.33Å; R330-S334 PolarHBondContact O-N 2.74Å; E331-S334 WeakPolarHBondContact O-CB 3.4Å; E331-S334 PolarHBondContact O-N 3.47Å; V332-S334 VanDerWaalsContact C-N 3.27Å; V332-S334 PolarHBondContact O-N 3Å; S334-K338 WeakPolarHBondContact O-CG 3.3Å
335I94.7Very high95.6Very high33 Ų3365 Ų6517%0.16933%0.327CS..Hα-helixtrans-68.2-48.7175.6-68.4164.7000110.4F305 V307 E331 V332 I333 Q337 K338 Y339F305-I335 HydrophobicContact CD2-CG2 4.5Å; F305-I335 HydrophobicContact CE1-CD1 4.17Å; F305-I335 HydrophobicContact CE2-CB 4.41Å; F305-I335 HydrophobicContact CE2-CG2 3.73Å; F305-I335 HydrophobicContact CZ-CB 4.17Å; F305-I335 HydrophobicContact CZ-CD1 4.02Å; F305-I335 HydrophobicContact CZ-CG2 3.92Å; V307-I335 HydrophobicContact CG2-CG2 3.78Å; E331-I335 VanDerWaalsContact O-CG1 3.32Å; E331-I335 WeakPolarHBondContact O-CG1 3.27Å; E331-I335 PolarHBondContact O-N 3.17Å; V332-I335 PolarHBondContact O-N 2.55Å; V332-I335 VanDerWaalsContact O-N 3.09Å; I333-I335 VanDerWaalsContact C-N 3.33Å; I333-I335 PolarHBondContact O-N 2.64Å; I335-Q337 PolarHBondContact O-N 2.76Å; I335-K338 WeakPolarHBondContact O-CB 3.44Å; I335-K338 PolarHBondContact O-N 2.88Å; I335-Y339 WeakPolarHBondContact O-CD2 3.43Å
336V95.5Very high95.6Very high0 Ų060.1 Ų60.10%030%0.304CS..Hα-helixtrans-63.1-42.5-178.3173.10000111.2F226 P227 F305 V307 L312 V332 I333 K338 Y339 L340F226-V336 HydrophobicContact CE1-CB 3.96Å; F226-V336 HydrophobicContact CE1-CG1 3.81Å; F226-V336 HydrophobicContact CZ-CB 3.79Å; F226-V336 HydrophobicContact CZ-CG1 3.6Å; P227-V336 HydrophobicContact CB-CG1 4.23Å; F305-V336 HydrophobicContact CE2-CG2 4.48Å; V307-V336 HydrophobicContact CG1-CB 4.41Å; V307-V336 HydrophobicContact CG1-CG1 4.22Å; V307-V336 HydrophobicContact CG1-CG2 4.12Å; V307-V336 HydrophobicContact CG2-CG2 4.34Å; L312-V336 HydrophobicContact CD2-CG1 3.77Å; V332-V336 HydrophobicContact CG1-CG2 4.26Å; V332-V336 WeakPolarHBondContact O-CG2 3.15Å; V332-V336 PolarHBondContact O-N 2.71Å; I333-V336 PolarHBondContact O-N 2.75Å; V336-K338 PolarHBondContact O-N 3.24Å; V336-K338 VanDerWaalsContact O-N 3.13Å; V336-Y339 PolarHBondContact O-N 2.71Å; V336-L340 HydrophobicContact CG1-CD1 4.24Å; V336-L340 HydrophobicContact CG1-CD2 4.46Å; V336-L340 HydrophobicContact CG1-CG 4.26Å; V336-L340 PolarHBondContact O-N 3.38Å
337Q95.1Very high95.6Very high81 Ų8160.7 Ų60.738%0.37930%0.298SS..Hα-helixtrans-56.9-30.7-180-174.366.755.100113.1I333 I335 Y339 L340I333-Q337 VanDerWaalsContact O-CB 3.25Å; I333-Q337 WeakPolarHBondContact O-CB 3.41Å; I333-Q337 PolarHBondContact O-N 3.23Å; I335-Q337 PolarHBondContact O-N 2.76Å; Q337-Y339 PolarHBondContact O-N 3.16Å; Q337-Y339 VanDerWaalsContact O-N 3.15Å; Q337-L340 PolarHBondContact O-N 3.22Å
338K93.5Very high95.7Very high149 Ų14965.3 Ų65.365%0.64832%0.316SS*.THydrogen-bonded Turntrans-63-19.6177.8-67.4171.6-174.8179.40113.5S334 I335 V336S334-K338 WeakPolarHBondContact O-CG 3.3Å; I335-K338 WeakPolarHBondContact O-CB 3.44Å; I335-K338 PolarHBondContact O-N 2.88Å; V336-K338 PolarHBondContact O-N 3.24Å; V336-K338 VanDerWaalsContact O-N 3.13Å
339Y94.9Very high95.8Very high36 Ų3663 Ų6314%0.14130%0.302CS..THydrogen-bonded Turntrans-105.3-19.6-178.3-62.9-77000112.4F187 R293 T294 C296 V307 I335 V336 Q337F187-Y339 HydrophobicContact CE2-CD1 4.13Å; F187-Y339 AromaticContact CE2-CE1 3.89Å; F187-Y339 HydrophobicContact CE2-CE1 3.89Å; F187-Y339 AromaticContact CZ-CE1 3.81Å; F187-Y339 HydrophobicContact CZ-CE1 3.81Å; R293-Y339 WeakPolarHBondContact CA-O 3.49Å; R293-Y339 WeakPolarHBondContact CB-O 3.31Å; T294-Y339 PolarHBondContact N-O 3.45Å; C296-Y339 WeakPolarHBondContact SG-CD1 3.37Å; C296-Y339 WeakPolarHBondContact SG-CE1 3.48Å; V307-Y339 HydrophobicContact CB-CD2 3.52Å; V307-Y339 HydrophobicContact CB-CE2 3.89Å; V307-Y339 HydrophobicContact CB-CG 4.06Å; V307-Y339 HydrophobicContact CG1-CD2 4.08Å; V307-Y339 HydrophobicContact CG1-CG 4.45Å; V307-Y339 HydrophobicContact CG2-CD2 3.42Å; V307-Y339 VanDerWaalsContact CG2-CD2 3.42Å; V307-Y339 HydrophobicContact CG2-CE2 3.5Å; V307-Y339 HydrophobicContact CG2-CG 4.43Å; I335-Y339 WeakPolarHBondContact O-CD2 3.43Å; V336-Y339 PolarHBondContact O-N 2.71Å; Q337-Y339 PolarHBondContact O-N 3.16Å; Q337-Y339 VanDerWaalsContact O-N 3.15Å
340L95.7Very high95.9Very high14 Ų1462.9 Ų62.97%0.07330%0.301CS..BIsolated β-bridgetrans-73.6154176.4-58.7-179.3000110.9F226 P227 L312 V336 Q337F226-L340 HydrophobicContact CD2-CD1 4.37Å; F226-L340 HydrophobicContact CE2-CD1 3.57Å; F226-L340 HydrophobicContact CZ-CD1 3.92Å; P227-L340 HydrophobicContact CB-CD1 3.62Å; P227-L340 HydrophobicContact CB-CD2 4.12Å; P227-L340 HydrophobicContact CB-CG 4.48Å; L312-L340 HydrophobicContact CD2-CD2 3.64Å; V336-L340 HydrophobicContact CG1-CD1 4.24Å; V336-L340 HydrophobicContact CG1-CD2 4.46Å; V336-L340 HydrophobicContact CG1-CG 4.26Å; V336-L340 PolarHBondContact O-N 3.38Å; Q337-L340 PolarHBondContact O-N 3.22Å
341L96.1Very high95.9Very high22 Ų2258.9 Ų58.912%0.11529%0.291CS..PPolyproline II helixtrans-63.6146169.1-63.7-179.9000110.5P292 E345 L346 L349P292-L341 HydrophobicContact CB-CD1 3.87Å; P292-L341 HydrophobicContact CG-CD1 4.06Å; L341-E345 HydrophobicContact CB-CB 4.46Å; L341-L346 HydrophobicContact CB-CB 4.31Å; L341-L349 HydrophobicContact CD1-CD2 3.77Å
342P95.1Very high96Very high54 Ų5459.3 Ų59.335%0.35129%0.293SS..PPolyproline II helixtrans-54.1149.7166-24.134.3000112D344 E345 L346P342-D344 VanDerWaalsContact C-N 3.27Å; P342-D344 WeakPolarHBondContact CB-OD1 3.29Å; P342-D344 PolarHBondContact O-N 3.45Å; P342-E345 HydrophobicContact CB-CB 4.46Å; P342-E345 HydrophobicContact CB-CG 4.36Å; P342-E345 HydrophobicContact CG-CG 4.35Å; P342-E345 PolarHBondContact O-N 3.49Å; P342-E345 VanDerWaalsContact O-N 3.15Å; P342-L346 PolarHBondContact O-N 2.79Å
343D93.1Very high96Very high111 Ų11159.3 Ų59.359%0.59429%0.293SS*.Hα-helixtrans-58.6-36.3-174.5-74.4-22.4000113.4H347D343-H347 WeakPolarHBondContact O-CB 3.49Å; D343-H347 PolarHBondContact O-N 3Å
344D95.8Very high96.1Very high87 Ų8758.7 Ų58.747%0.46529%0.291SS..Hα-helixtrans-73-37.2179.574.3-62.3000112.2P342 H347 K348P342-D344 VanDerWaalsContact C-N 3.27Å; P342-D344 WeakPolarHBondContact CB-OD1 3.29Å; P342-D344 PolarHBondContact O-N 3.45Å; D344-H347 PolarHBondContact O-N 3.02Å; D344-K348 WeakPolarHBondContact O-CD 3.42Å; D344-K348 VanDerWaalsContact O-CG 3.27Å; D344-K348 WeakPolarHBondContact O-CG 3.18Å; D344-K348 PolarHBondContact O-N 2.9Å; D344-K348 IonicContact OD2-NZ 2.99Å; D344-K348 PolarHBondContact OD2-NZ 3.26Å
345E96.8Very high96.1Very high96 Ų9662.8 Ų62.845%0.44930%0.301SS..Hα-helixtrans-66.2-44.6172.7-69.8-176.1-16100111L341 P342 H347 K348 L349L341-E345 HydrophobicContact CB-CB 4.46Å; P342-E345 HydrophobicContact CB-CB 4.46Å; P342-E345 HydrophobicContact CB-CG 4.36Å; P342-E345 HydrophobicContact CG-CG 4.35Å; P342-E345 PolarHBondContact O-N 3.49Å; P342-E345 VanDerWaalsContact O-N 3.15Å; E345-H347 VanDerWaalsContact C-N 3.3Å; E345-H347 PolarHBondContact O-N 2.86Å; E345-K348 PolarHBondContact O-N 2.66Å; E345-L349 WeakPolarHBondContact O-CB 3.3Å; E345-L349 PolarHBondContact O-N 3.2Å
346L96.7Very high96.2Very high7 Ų763.7 Ų63.74%0.03730%0.304CS..Hα-helixtrans-63.6-36.4177.1-176.461.4000111.9V228 F230 P292 L341 P342 E350V228-L346 HydrophobicContact CB-CD2 4Å; V228-L346 HydrophobicContact CG1-CD2 3.59Å; F230-L346 HydrophobicContact CE2-CD1 4.19Å; F230-L346 HydrophobicContact CZ-CD1 4Å; P292-L346 HydrophobicContact CG-CD1 3.74Å; L341-L346 HydrophobicContact CB-CB 4.31Å; P342-L346 PolarHBondContact O-N 2.79Å; L346-E350 WeakPolarHBondContact O-CB 3.33Å; L346-E350 PolarHBondContact O-N 3.29Å
347H96.8Very high96.1Very high94 Ų9463.7 Ų63.744%0.43530%0.304SS..Hα-helixtrans-68.1-44176.1-172.352000112.1D343 D344 E345 L349 E350 E351D343-H347 WeakPolarHBondContact O-CB 3.49Å; D343-H347 PolarHBondContact O-N 3Å; D344-H347 PolarHBondContact O-N 3.02Å; E345-H347 VanDerWaalsContact C-N 3.3Å; E345-H347 PolarHBondContact O-N 2.86Å; H347-L349 VanDerWaalsContact C-N 3.31Å; H347-L349 PolarHBondContact O-N 3.28Å; H347-E350 WeakPolarHBondContact O-CB 3.44Å; H347-E350 PolarHBondContact O-N 3.43Å; H347-E351 IonicContact NE2-OE1 2.89Å; H347-E351 PolarHBondContact O-N 3.29Å; H347-E351 VanDerWaalsContact O-N 3.1Å
348K97.8Very high96Very high109 Ų10965.1 Ų65.147%0.47431%0.314SS..Hα-helixtrans-60.3-42.5173.5-69.9161.9-172.41550111.5D344 E345 E350 E351 Q352D344-K348 WeakPolarHBondContact O-CD 3.42Å; D344-K348 VanDerWaalsContact O-CG 3.27Å; D344-K348 WeakPolarHBondContact O-CG 3.18Å; D344-K348 PolarHBondContact O-N 2.9Å; D344-K348 IonicContact OD2-NZ 2.99Å; D344-K348 PolarHBondContact OD2-NZ 3.26Å; E345-K348 PolarHBondContact O-N 2.66Å; K348-E350 VanDerWaalsContact C-N 3.34Å; K348-E351 PolarHBondContact O-N 2.93Å; K348-Q352 WeakPolarHBondContact O-CG 3.29Å; K348-Q352 PolarHBondContact O-N 2.91Å
349L97.9Very high95.7Very high6 Ų662.7 Ų62.73%0.03131%0.312CS..Hα-helixtrans-63.1-40.8177.1-178.259.9000111.7F230 F252 F253 I258 P292 L341 E345 H347 Q352 L353F230-L349 HydrophobicContact CE2-CD2 4.48Å; F252-L349 HydrophobicContact CD1-CD1 4.37Å; F252-L349 HydrophobicContact CE1-CD1 3.65Å; F253-L349 HydrophobicContact CD1-CD1 4.38Å; F253-L349 HydrophobicContact CE1-CD1 3.95Å; F253-L349 HydrophobicContact CE1-CD2 3.81Å; F253-L349 HydrophobicContact CE1-CG 4.1Å; F253-L349 HydrophobicContact CZ-CD2 4.43Å; I258-L349 HydrophobicContact CD1-CD1 3.62Å; I258-L349 HydrophobicContact CD1-CD2 4.09Å; P292-L349 HydrophobicContact CB-CD2 3.61Å; P292-L349 HydrophobicContact CG-CD2 3.63Å; L341-L349 HydrophobicContact CD1-CD2 3.77Å; E345-L349 WeakPolarHBondContact O-CB 3.3Å; E345-L349 PolarHBondContact O-N 3.2Å; H347-L349 VanDerWaalsContact C-N 3.31Å; H347-L349 PolarHBondContact O-N 3.28Å; L349-Q352 PolarHBondContact O-N 3.3Å; L349-L353 HydrophobicContact CD1-CG 4.3Å; L349-L353 HydrophobicContact CG-CD1 4.23Å; L349-L353 HydrophobicContact CG-CG 4.42Å; L349-L353 WeakPolarHBondContact O-CB 3.3Å; L349-L353 WeakPolarHBondContact O-CG 3.48Å; L349-L353 PolarHBondContact O-N 2.63Å
350E97.9Very high94.3Very high17 Ų1767.9 Ų67.98%0.07934%0.337CS..Hα-helixtrans-57.4-48.7173.5175.2174.2114.300111.7L214 R222 F230 L346 H347 K348 Q352 L353 V354L214-E350 HydrophobicContact CD1-CG 3.9Å; L214-E350 VanDerWaalsContact CD2-CD 3.43Å; L214-E350 HydrophobicContact CD2-CG 3.96Å; L214-E350 WeakPolarHBondContact CD2-OE1 3.38Å; R222-E350 WeakPolarHBondContact CD-OE2 3.5Å; R222-E350 WeakPolarHBondContact CG-OE2 3.47Å; R222-E350 IonicContact CZ-OE2 3.24Å; R222-E350 IonicContact NE-OE2 2.7Å; R222-E350 IonicContact NH1-OE2 3.75Å; R222-E350 PolarHBondContact NH1-OE2 3.1Å; F230-E350 HydrophobicContact CE1-CB 3.96Å; F230-E350 HydrophobicContact CE1-CG 4.17Å; F230-E350 HydrophobicContact CZ-CB 4.14Å; L346-E350 WeakPolarHBondContact O-CB 3.33Å; L346-E350 PolarHBondContact O-N 3.29Å; H347-E350 WeakPolarHBondContact O-CB 3.44Å; H347-E350 PolarHBondContact O-N 3.43Å; K348-E350 VanDerWaalsContact C-N 3.34Å; E350-Q352 VanDerWaalsContact C-N 3.32Å; E350-Q352 PolarHBondContact O-N 3.25Å; E350-L353 PolarHBondContact O-N 2.99Å; E350-V354 HydrophobicContact CG-CG2 4.47Å; E350-V354 WeakPolarHBondContact O-CB 3.2Å; E350-V354 VanDerWaalsContact O-CG2 3.3Å; E350-V354 WeakPolarHBondContact O-CG2 3.29Å; E350-V354 PolarHBondContact O-N 2.87Å
351E97.5Very high94.2Very high116 Ų11670.6 Ų70.654%0.54235%0.35SS..Hα-helixtrans-60.7-41.9178.3-67.4-179.1159.600112.1H347 K348 K355H347-E351 IonicContact NE2-OE1 2.89Å; H347-E351 PolarHBondContact O-N 3.29Å; H347-E351 VanDerWaalsContact O-N 3.1Å; K348-E351 PolarHBondContact O-N 2.93Å; E351-K355 WeakPolarHBondContact O-CB 3.34Å; E351-K355 PolarHBondContact O-N 2.85Å; E351-K355 VanDerWaalsContact O-N 3.07Å
352Q97.7Very high94.1Very high98 Ų9873.1 Ų73.146%0.45836%0.362SS..Hα-helixtrans-65-46.4177.5-71.7174.6-10.100112.1F252 K348 L349 E350 K355 H356F252-Q352 HydrophobicContact CZ-CB 3.97Å; K348-Q352 WeakPolarHBondContact O-CG 3.29Å; K348-Q352 PolarHBondContact O-N 2.91Å; L349-Q352 PolarHBondContact O-N 3.3Å; E350-Q352 VanDerWaalsContact C-N 3.32Å; E350-Q352 PolarHBondContact O-N 3.25Å; Q352-K355 PolarHBondContact O-N 2.73Å; Q352-H356 WeakPolarHBondContact O-CB 3.47Å; Q352-H356 PolarHBondContact O-N 3.49Å
353L96.9Very high94.1Very high0 Ų074.2 Ų74.20%036%0.363CS..Hα-helixtrans-61.9-45.5177-77.6175000111.5F220 F230 V249 F252 F253 L349 E350 K355 H356 L357F220-L353 HydrophobicContact CZ-CD1 4.46Å; F230-L353 HydrophobicContact CD2-CD1 3.99Å; F230-L353 HydrophobicContact CE1-CD1 4.29Å; F230-L353 HydrophobicContact CE2-CD1 3.39Å; F230-L353 HydrophobicContact CZ-CD1 3.59Å; V249-L353 HydrophobicContact CG1-CD2 4.31Å; F252-L353 HydrophobicContact CB-CD2 4.13Å; F252-L353 HydrophobicContact CD1-CD2 3.46Å; F252-L353 VanDerWaalsContact CD1-CD2 3.46Å; F252-L353 HydrophobicContact CD1-CG 4.32Å; F252-L353 HydrophobicContact CE1-CD2 4.03Å; F252-L353 HydrophobicContact CE1-CG 4.44Å; F252-L353 HydrophobicContact CG-CD2 3.8Å; F253-L353 HydrophobicContact CE1-CD1 3.68Å; F253-L353 HydrophobicContact CE1-CD2 3.84Å; F253-L353 HydrophobicContact CE1-CG 4.11Å; F253-L353 HydrophobicContact CZ-CD1 3.74Å; F253-L353 HydrophobicContact CZ-CD2 4.37Å; L349-L353 HydrophobicContact CD1-CG 4.3Å; L349-L353 HydrophobicContact CG-CD1 4.23Å; L349-L353 HydrophobicContact CG-CG 4.42Å; L349-L353 WeakPolarHBondContact O-CB 3.3Å; L349-L353 WeakPolarHBondContact O-CG 3.48Å; L349-L353 PolarHBondContact O-N 2.63Å; E350-L353 PolarHBondContact O-N 2.99Å; L353-K355 VanDerWaalsContact C-N 3.29Å; L353-K355 PolarHBondContact O-N 2.97Å; L353-H356 PolarHBondContact O-N 2.91Å; L353-H356 VanDerWaalsContact O-N 3.16Å; L353-L357 WeakPolarHBondContact O-CB 3.23Å; L353-L357 WeakPolarHBondContact O-CG 3.47Å; L353-L357 PolarHBondContact O-N 2.93Å
354V97.2Very high94.1Very high35 Ų3572 Ų7221%0.21235%0.349CS..Hα-helixtrans-59.7-45.1178.9169.30000110.2L214 I215 E350 L358L214-V354 HydrophobicContact CB-CG2 4.14Å; I215-V354 HydrophobicContact CG1-CG1 4.34Å; I215-V354 HydrophobicContact CG1-CG2 4.36Å; E350-V354 HydrophobicContact CG-CG2 4.47Å; E350-V354 WeakPolarHBondContact O-CB 3.2Å; E350-V354 VanDerWaalsContact O-CG2 3.3Å; E350-V354 WeakPolarHBondContact O-CG2 3.29Å; E350-V354 PolarHBondContact O-N 2.87Å; V354-L358 HydrophobicContact CG1-CD1 3.86Å; V354-L358 WeakPolarHBondContact O-CB 3.41Å; V354-L358 VanDerWaalsContact O-CG 3.25Å; V354-L358 WeakPolarHBondContact O-CG 3.45Å; V354-L358 PolarHBondContact O-N 3.07Å; V354-L358 VanDerWaalsContact O-N 3.13Å
355K96.5Very high94Very high154 Ų15471.1 Ų71.167%0.6734%0.342SS*.Hα-helixtrans-61.7-45.1175-175-180177.2-176.30111.9E351 Q352 L353 L358 T359E351-K355 WeakPolarHBondContact O-CB 3.34Å; E351-K355 PolarHBondContact O-N 2.85Å; E351-K355 VanDerWaalsContact O-N 3.07Å; Q352-K355 PolarHBondContact O-N 2.73Å; L353-K355 VanDerWaalsContact C-N 3.29Å; L353-K355 PolarHBondContact O-N 2.97Å; K355-L358 PolarHBondContact O-N 3.27Å; K355-T359 WeakPolarHBondContact O-CG2 3.12Å; K355-T359 PolarHBondContact O-N 2.94Å; K355-T359 PolarHBondContact O-OG1 3.19Å
356H95.4Very high93.9Very high51 Ų5169.4 Ų69.424%0.23634%0.335CS..Hα-helixtrans-60.6-49.6-179.8-178.571.7000111.7F252 Q352 L353 L358 T359 H360F252-H356 HydrophobicContact CD2-CB 4.06Å; F252-H356 AromaticContact CD2-CD2 3.87Å; F252-H356 AromaticContact CD2-CG 3.68Å; F252-H356 AromaticContact CD2-ND1 3.93Å; F252-H356 HydrophobicContact CE2-CB 4.22Å; Q352-H356 WeakPolarHBondContact O-CB 3.47Å; Q352-H356 PolarHBondContact O-N 3.49Å; L353-H356 PolarHBondContact O-N 2.91Å; L353-H356 VanDerWaalsContact O-N 3.16Å; H356-L358 VanDerWaalsContact C-N 3.3Å; H356-L358 PolarHBondContact O-N 2.87Å; H356-T359 PolarHBondContact O-N 3.32Å; H356-T359 VanDerWaalsContact O-N 3.13Å; H356-T359 PolarHBondContact O-OG1 2.89Å; H356-H360 AromaticContact CE1-CE1 3.71Å; H356-H360 AromaticContact CE1-ND1 3.87Å; H356-H360 AromaticContact ND1-CE1 3.83Å; H356-H360 AromaticContact ND1-ND1 3.94Å; H356-H360 PolarHBondContact O-N 2.98Å; H356-H360 PolarHBondContact O-ND1 3.29Å
357L94.7Very high93.7Very high0 Ų073.9 Ų73.90%036%0.356CS..Hα-helixtrans-72.2-15.9-178.1-67.5177.8000114.6I215 K218 F220 T245 E248 V249 L353I215-L357 HydrophobicContact CD1-CB 3.5Å; I215-L357 HydrophobicContact CD1-CD1 3.84Å; I215-L357 HydrophobicContact CD1-CG 4.35Å; K218-L357 WeakPolarHBondContact CE-O 3.45Å; K218-L357 PolarHBondContact NZ-O 3.35Å; F220-L357 HydrophobicContact CD1-CD1 3.99Å; F220-L357 HydrophobicContact CE1-CD1 3.99Å; F220-L357 HydrophobicContact CG-CD1 4.39Å; F220-L357 HydrophobicContact CZ-CD1 4.37Å; T245-L357 HydrophobicContact CG2-CD1 4.39Å; T245-L357 HydrophobicContact CG2-CD2 4.27Å; E248-L357 HydrophobicContact CB-CD2 3.72Å; E248-L357 WeakPolarHBondContact OE2-CD2 3.44Å; V249-L357 HydrophobicContact CG2-CD1 3.78Å; V249-L357 HydrophobicContact CG2-CD2 4.07Å; V249-L357 HydrophobicContact CG2-CG 4.38Å; L353-L357 WeakPolarHBondContact O-CB 3.23Å; L353-L357 WeakPolarHBondContact O-CG 3.47Å; L353-L357 PolarHBondContact O-N 2.93Å
358L92.8Very high93.4Very high112 Ų11272.3 Ų72.359%0.58635%0.35SS*.Hα-helixtrans-88.6-14.1171.9-71.4173.6000112.7I215 V354 K355 H356I215-L358 HydrophobicContact CD1-CG 4.38Å; I215-L358 HydrophobicContact CG2-CD2 4.07Å; V354-L358 HydrophobicContact CG1-CD1 3.86Å; V354-L358 WeakPolarHBondContact O-CB 3.41Å; V354-L358 VanDerWaalsContact O-CG 3.25Å; V354-L358 WeakPolarHBondContact O-CG 3.45Å; V354-L358 PolarHBondContact O-N 3.07Å; V354-L358 VanDerWaalsContact O-N 3.13Å; K355-L358 PolarHBondContact O-N 3.27Å; H356-L358 VanDerWaalsContact C-N 3.3Å; H356-L358 PolarHBondContact O-N 2.87Å
359T87.1Confident93.1Very high97 Ų9769.3 Ų69.360%0.59534%0.34SS*.Hα-helixtrans-94.5-13.3178.353.70000113.9K355 H356K355-T359 WeakPolarHBondContact O-CG2 3.12Å; K355-T359 PolarHBondContact O-N 2.94Å; K355-T359 PolarHBondContact O-OG1 3.19Å; H356-T359 PolarHBondContact O-N 3.32Å; H356-T359 VanDerWaalsContact O-N 3.13Å; H356-T359 PolarHBondContact O-OG1 2.89Å
360H65.1Low92.6Very high145 Ų14575 Ų7567%0.67137%0.368SS*.  trans-126.20179-58.474.6000108.8K218 H356K218-H360 PolarHBondContact NZ-OXT 2.79Å; H356-H360 AromaticContact CE1-CE1 3.71Å; H356-H360 AromaticContact CE1-ND1 3.87Å; H356-H360 AromaticContact ND1-CE1 3.83Å; H356-H360 AromaticContact ND1-ND1 3.94Å; H356-H360 PolarHBondContact O-N 2.98Å; H356-H360 PolarHBondContact O-ND1 3.29Å

Retrieved 360 of 360 residues in 425.2 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).