A0A087X6H7_POEFO Loading...

Deoxyribose-phosphate aldolase

Catalyzes a reversible aldol reaction between acetaldehyde and D-glyceraldehyde 3-phosphate to generate 2-deoxy-D-ribose 5-phosphate. Participates in stress granule (SG) assembly. May allow ATP production from extracellular deoxyinosine in conditions of energy deprivation.

AlphaFold DB , UniProt , Accession A0A087X6H7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 318 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
1M49.2Very low87.5Confident204 Ų20469.5 Ų69.5100%1.00540%0.398SS*.  0147.20-66.4171.6-163.500108
2S59.8Low88.2Confident33 Ų3372.6 Ų72.623%0.23141%0.411CS..PPolyproline II helixtrans-58.6154.1169.9175.30000110.2R4S2-R4 PolarHBondContact O-N 2.69Å
3A80.1Confident88.8Confident87 Ų8776.1 Ų76.172%0.71942%0.422SS*.PPolyproline II helixtrans-54.2132165.700000109
4R91.7Very high89.2Confident67 Ų6773.4 Ų73.425%0.25340%0.403SS..PPolyproline II helixtrans-66.2152.3173-69.8-178.176.2-164.212.2109.5S2 P6 R179 G183 A185 D215S2-R4 PolarHBondContact O-N 2.69Å; R4-P6 WeakPolarHBondContact O-CD 3.38Å; R4-R179 VanDerWaalsContact CZ-NH2 3.27Å; R4-R179 VanDerWaalsContact NE-CZ 3.3Å; R4-R179 VanDerWaalsContact NE-NH2 3.15Å; R4-G183 VanDerWaalsContact CZ-O 3.23Å; R4-G183 PolarHBondContact NH1-O 3.38Å; R4-G183 PolarHBondContact NH2-O 3.46Å; R4-A185 PolarHBondContact NH2-O 3.19Å; R4-D215 VanDerWaalsContact CA-OD1 3.31Å; R4-D215 WeakPolarHBondContact CA-OD1 3.44Å; R4-D215 WeakPolarHBondContact CB-OD1 3.46Å; R4-D215 IonicContact NE-OD2 3.81Å
5N96.8Very high89.6Confident2 Ų268.6 Ų68.61%0.01138%0.376CS..PPolyproline II helixtrans-74.5117171.6178.215.7000108.8G7 R179 M210 S214 D215 Y243 V251N5-G7 PolarHBondContact O-N 2.92Å; N5-G7 PolarHBondContact OD1-N 3.43Å; N5-G7 VanDerWaalsContact OD1-N 3.08Å; N5-R179 PolarHBondContact O-NH2 2.75Å; N5-M210 PolarHBondContact ND2-O 3.31Å; N5-S214 WeakPolarHBondContact CB-O 3.37Å; N5-S214 PolarHBondContact ND2-O 2.76Å; N5-D215 PolarHBondContact N-OD1 3.19Å; N5-Y243 PolarHBondContact OD1-OH 3.22Å; N5-V251 HydrophobicContact CB-CG2 4.26Å
6P96.3Very high89.9Confident89 Ų8968.4 Ų68.458%0.57838%0.381SS*.  trans-70.3-1517929.8-35000112.7R4 H249R4-P6 WeakPolarHBondContact O-CD 3.38Å; P6-H249 WeakPolarHBondContact CG-NE2 3.39Å
7G97.2Very high90.2Very high16 Ų1672 Ų7217%0.16539%0.392CS..  trans79.6178.6-170.200000112.2N5 M211N5-G7 PolarHBondContact O-N 2.92Å; N5-G7 PolarHBondContact OD1-N 3.43Å; N5-G7 VanDerWaalsContact OD1-N 3.08Å; G7-M211 CarbonylContact C-O 3.49Å; G7-M211 WeakPolarHBondContact CA-O 3.45Å
8T97.9Very high90.4Very high46 Ų4668.6 Ų68.628%0.28237%0.373SS..  trans-143.2169.4175.862.80000109Y172 M211 T247T8-Y172 PolarHBondContact O-OH 2.68Å; T8-M211 PolarHBondContact N-O 3.19Å; T8-M211 WeakPolarHBondContact OG1-CG 3.43Å; T8-T247 HydrophobicContact CG2-CG2 3.92Å
9D97.8Very high90.6Very high142 Ų14275.3 Ų75.376%0.75939%0.393SS*.  trans-59.9152.4167.8-64-29.5000111.1D11D9-D11 PolarHBondContact O-N 3.06Å
10F98.3Very high91Very high44 Ų4473 Ų7319%0.19338%0.382CS..  trans-67.6119.3175.7178-103.4000110.6L12 L15 W168 E169 Y172 V208 M211F10-L12 HydrophobicContact CE1-CB 3.87Å; F10-L12 HydrophobicContact CE1-CD1 4.24Å; F10-L12 HydrophobicContact CZ-CB 4.49Å; F10-L12 HydrophobicContact CZ-CD1 4.23Å; F10-L15 HydrophobicContact CE2-CD1 3.61Å; F10-L15 HydrophobicContact CZ-CD1 3.78Å; F10-W168 HydrophobicContact CE2-CB 4Å; F10-W168 HydrophobicContact CZ-CB 3.9Å; F10-E169 HydrophobicContact CD1-CB 4.16Å; F10-E169 HydrophobicContact CD1-CG 3.94Å; F10-E169 HydrophobicContact CE1-CB 3.72Å; F10-E169 HydrophobicContact CE1-CG 4.01Å; F10-E169 HydrophobicContact CE2-CB 4.41Å; F10-E169 HydrophobicContact CG-CG 4.38Å; F10-E169 HydrophobicContact CZ-CB 3.87Å; F10-Y172 HydrophobicContact CB-CD1 3.88Å; F10-Y172 HydrophobicContact CB-CD2 4.13Å; F10-Y172 HydrophobicContact CB-CE1 3.94Å; F10-Y172 HydrophobicContact CB-CE2 4.15Å; F10-Y172 HydrophobicContact CB-CG 3.98Å; F10-Y172 HydrophobicContact CD2-CD1 4.43Å; F10-Y172 HydrophobicContact CD2-CD2 4.02Å; F10-Y172 AromaticContact CD2-CG 3.81Å; F10-Y172 HydrophobicContact CD2-CG 3.81Å; F10-Y172 HydrophobicContact CG-CD1 4.44Å; F10-Y172 HydrophobicContact CG-CG 4.26Å; F10-V208 HydrophobicContact CE2-CG2 4.15Å; F10-M211 HydrophobicContact CD2-CE 4.43Å
11D97.4Very high91.3Very high34 Ų3474.5 Ų74.518%0.18239%0.39CS..  trans-110.397.2180-174.5-17.5000111.2D9 E13 W14 L15 M211 R246D9-D11 PolarHBondContact O-N 3.06Å; D11-E13 VanDerWaalsContact C-N 3.32Å; D11-E13 WeakPolarHBondContact OD1-CA 3.33Å; D11-E13 WeakPolarHBondContact OD1-CB 3.42Å; D11-E13 PolarHBondContact OD1-N 3.3Å; D11-W14 HydrophobicContact CB-CB 4.11Å; D11-W14 PolarHBondContact OD1-N 2.96Å; D11-L15 PolarHBondContact O-N 3.26Å; D11-M211 HydrophobicContact CB-SD 4.03Å; D11-R246 IonicContact OD2-CZ 3.61Å; D11-R246 IonicContact OD2-NH1 3.52Å; D11-R246 PolarHBondContact OD2-NH1 3.15Å; D11-R246 IonicContact OD2-NH2 3.73Å; D11-R246 PolarHBondContact OD2-NH2 3.41Å
12L95.7Very high93.6Very high107 Ų10768 Ų6856%0.5636%0.363SS*.Hα-helixtrans-68.1-31.9177.2-175.860.9000112.5F10 L15 S16F10-L12 HydrophobicContact CE1-CB 3.87Å; F10-L12 HydrophobicContact CE1-CD1 4.24Å; F10-L12 HydrophobicContact CZ-CB 4.49Å; F10-L12 HydrophobicContact CZ-CD1 4.23Å; L12-L15 PolarHBondContact O-N 3.41Å; L12-S16 WeakPolarHBondContact O-CB 3.45Å; L12-S16 PolarHBondContact O-N 3.33Å
13E96Very high95.4Very high118 Ų11872.1 Ų72.155%0.55138%0.378SS*.Hα-helixtrans-67.2-40.3-178.8-171.7-178.1173.300110.7D11 L15 S16 K17D11-E13 VanDerWaalsContact C-N 3.32Å; D11-E13 WeakPolarHBondContact OD1-CA 3.33Å; D11-E13 WeakPolarHBondContact OD1-CB 3.42Å; D11-E13 PolarHBondContact OD1-N 3.3Å; E13-L15 VanDerWaalsContact C-N 3.34Å; E13-L15 PolarHBondContact O-N 2.97Å; E13-S16 PolarHBondContact O-N 3.26Å; E13-S16 PolarHBondContact O-OG 3.49Å; E13-K17 HydrophobicContact CG-CD 4.37Å; E13-K17 WeakPolarHBondContact O-CG 3.25Å; E13-K17 PolarHBondContact O-N 2.93Å; E13-K17 VanDerWaalsContact OE1-CE 3.24Å; E13-K17 WeakPolarHBondContact OE1-CE 3.46Å; E13-K17 IonicContact OE1-NZ 2.73Å; E13-K17 PolarHBondContact OE1-NZ 2.87Å
14W94.8Very high96.3Very high39 Ų3970 Ų7015%0.14836%0.361CS..Hα-helixtrans-57.4-49.6172.1-168-0.8000111D11 S16 K17 V18 M207 M211 Y243 R246D11-W14 HydrophobicContact CB-CB 4.11Å; D11-W14 PolarHBondContact OD1-N 2.96Å; W14-S16 VanDerWaalsContact C-N 3.34Å; W14-S16 PolarHBondContact O-N 3.46Å; W14-K17 PolarHBondContact O-N 3.25Å; W14-V18 WeakPolarHBondContact O-CG2 3.26Å; W14-V18 PolarHBondContact O-N 3.28Å; W14-M207 HydrophobicContact CD2-CE 3.65Å; W14-M207 HydrophobicContact CE3-CE 3.57Å; W14-M207 HydrophobicContact CH2-CE 3.18Å; W14-M207 HydrophobicContact CZ2-CE 3.18Å; W14-M207 HydrophobicContact CZ2-SD 4.39Å; W14-M207 HydrophobicContact CZ3-CE 3.35Å; W14-M211 HydrophobicContact CE3-SD 4.23Å; W14-Y243 HydrophobicContact CH2-CD2 4.08Å; W14-Y243 HydrophobicContact CZ3-CD2 4.15Å; W14-R246 HydrophobicContact CH2-CB 3.77Å; W14-R246 HydrophobicContact CH2-CG 4.13Å; W14-R246 HydrophobicContact CZ2-CB 4.26Å
15L95.1Very high96.6Very high1 Ų166.9 Ų66.91%0.00535%0.349CS..Hα-helixtrans-63.9-37.4-178.6-64.9177.9000112.5F10 D11 L12 E13 K17 V18 W168 K204 M207 V208 M211F10-L15 HydrophobicContact CE2-CD1 3.61Å; F10-L15 HydrophobicContact CZ-CD1 3.78Å; D11-L15 PolarHBondContact O-N 3.26Å; L12-L15 PolarHBondContact O-N 3.41Å; E13-L15 VanDerWaalsContact C-N 3.34Å; E13-L15 PolarHBondContact O-N 2.97Å; L15-K17 VanDerWaalsContact C-N 3.28Å; L15-K17 PolarHBondContact O-N 3.14Å; L15-V18 WeakPolarHBondContact O-CB 3.43Å; L15-V18 PolarHBondContact O-N 3.44Å; L15-W168 HydrophobicContact CD1-CB 3.96Å; L15-W168 HydrophobicContact CD1-CG 4.23Å; L15-K204 HydrophobicContact CD2-CB 4.15Å; L15-K204 HydrophobicContact CD2-CG 4.13Å; L15-K204 WeakPolarHBondContact O-CE 3.35Å; L15-M207 HydrophobicContact CD2-CB 3.75Å; L15-M207 HydrophobicContact CD2-CG 4.43Å; L15-V208 HydrophobicContact CD1-CG2 3.68Å; L15-V208 HydrophobicContact CD2-CG2 4.26Å; L15-M211 HydrophobicContact CD1-CE 4.14Å; L15-M211 HydrophobicContact CD2-CE 4.08Å; L15-M211 HydrophobicContact CG-CE 4.11Å
16S94Very high96.7Very high65 Ų6570.1 Ų70.146%0.45537%0.366SS..Hα-helixtrans-68.3-29.4-179.476.90000112.6L12 E13 W14 R19L12-S16 WeakPolarHBondContact O-CB 3.45Å; L12-S16 PolarHBondContact O-N 3.33Å; E13-S16 PolarHBondContact O-N 3.26Å; E13-S16 PolarHBondContact O-OG 3.49Å; W14-S16 VanDerWaalsContact C-N 3.34Å; W14-S16 PolarHBondContact O-N 3.46Å; S16-R19 PolarHBondContact O-NH1 3.12Å
17K94.9Very high96.8Very high130 Ų13072.7 Ų72.757%0.56537%0.368SS*.Hα-helixtrans-82.2-12.2177.7-68.6176-175.6173.70114.1E13 W14 L15 R19E13-K17 HydrophobicContact CG-CD 4.37Å; E13-K17 WeakPolarHBondContact O-CG 3.25Å; E13-K17 PolarHBondContact O-N 2.93Å; E13-K17 VanDerWaalsContact OE1-CE 3.24Å; E13-K17 WeakPolarHBondContact OE1-CE 3.46Å; E13-K17 IonicContact OE1-NZ 2.73Å; E13-K17 PolarHBondContact OE1-NZ 2.87Å; W14-K17 PolarHBondContact O-N 3.25Å; L15-K17 VanDerWaalsContact C-N 3.28Å; L15-K17 PolarHBondContact O-N 3.14Å; K17-R19 PolarHBondContact O-N 3.43Å
18V94.6Very high96.9Very high10 Ų1074.6 Ų74.66%0.06137%0.37CS..  trans-56.6127.3179.5174.20000110.9W14 L15 V20 T200 Y203 K204W14-V18 WeakPolarHBondContact O-CG2 3.26Å; W14-V18 PolarHBondContact O-N 3.28Å; L15-V18 WeakPolarHBondContact O-CB 3.43Å; L15-V18 PolarHBondContact O-N 3.44Å; V18-V20 HydrophobicContact CG1-CG2 4.24Å; V18-T200 HydrophobicContact CG1-CG2 4.34Å; V18-Y203 HydrophobicContact CB-CD1 4.19Å; V18-Y203 HydrophobicContact CB-CE1 4.42Å; V18-Y203 HydrophobicContact CG1-CD1 3.39Å; V18-Y203 HydrophobicContact CG1-CE1 3.94Å; V18-Y203 HydrophobicContact CG1-CG 3.88Å; V18-Y203 HydrophobicContact CG2-CD1 3.63Å; V18-Y203 HydrophobicContact CG2-CE1 3.56Å; V18-K204 HydrophobicContact CB-CG 4.38Å; V18-K204 HydrophobicContact CG1-CG 4.4Å; V18-K204 HydrophobicContact CG2-CG 4.38Å
19R94.3Very high96.9Very high196 Ų19672.4 Ų72.474%0.7436%0.357SS*.  trans-132.8127.6171-61.7-64.9179.1-88.3-1.1108.4S16 K17S16-R19 PolarHBondContact O-NH1 3.12Å; K17-R19 PolarHBondContact O-N 3.43Å
20V97.6Very high96.9Very high30 Ų3072.4 Ų72.418%0.18235%0.353CS..  trans-114.3118175-174.90000109.3V18 T22 V25 F199 Y203 V235V18-V20 HydrophobicContact CG1-CG2 4.24Å; V20-T22 PolarHBondContact O-N 2.94Å; V20-V25 HydrophobicContact CG1-CG2 3.78Å; V20-F199 HydrophobicContact CB-CB 4.23Å; V20-F199 HydrophobicContact CG1-CB 3.69Å; V20-Y203 HydrophobicContact CG2-CD2 4.49Å; V20-Y203 HydrophobicContact CG2-CG 4.38Å; V20-V235 HydrophobicContact CG1-CG2 4.22Å
21N98Very high96.9Very high104 Ų10475 Ų7556%0.55637%0.365SS*.  trans-81.1100.3172.7-177.6-33.1000109.8Q23 A24 V25N21-Q23 VanDerWaalsContact C-N 3.33Å; N21-Q23 PolarHBondContact O-N 3.24Å; N21-Q23 PolarHBondContact OD1-N 3.08Å; N21-Q23 VanDerWaalsContact OD1-N 3.15Å; N21-A24 HydrophobicContact CB-CB 3.97Å; N21-A24 PolarHBondContact O-N 3.36Å; N21-A24 PolarHBondContact OD1-N 3.28Å; N21-V25 WeakPolarHBondContact O-CG2 3.35Å; N21-V25 PolarHBondContact O-N 3.08Å
22T98Very high96.9Very high69 Ų6973.5 Ų73.542%0.42336%0.357SS..Hα-helixtrans-54-45.4-178.6-56.90000112.7V20 A24 V25 L26 F199V20-T22 PolarHBondContact O-N 2.94Å; T22-A24 PolarHBondContact O-N 2.97Å; T22-V25 PolarHBondContact O-N 3.37Å; T22-L26 HydrophobicContact CG2-CD1 4.05Å; T22-L26 HydrophobicContact CG2-CG 4.41Å; T22-L26 WeakPolarHBondContact O-CG 3.29Å; T22-L26 PolarHBondContact O-N 2.95Å; T22-F199 HydrophobicContact CG2-CD2 4.04Å; T22-F199 HydrophobicContact CG2-CE2 3.87Å
23Q98.1Very high97Very high119 Ų11973.1 Ų73.156%0.55635%0.352SS*.Hα-helixtrans-66.3-39.1-177.8-67.1-59.3-31.500111.9N21 V25 L26 K27N21-Q23 VanDerWaalsContact C-N 3.33Å; N21-Q23 PolarHBondContact O-N 3.24Å; N21-Q23 PolarHBondContact OD1-N 3.08Å; N21-Q23 VanDerWaalsContact OD1-N 3.15Å; Q23-V25 VanDerWaalsContact C-N 3.35Å; Q23-L26 PolarHBondContact O-N 3.18Å; Q23-K27 WeakPolarHBondContact O-CB 3.43Å; Q23-K27 VanDerWaalsContact O-CG 3.29Å; Q23-K27 WeakPolarHBondContact O-CG 3.47Å; Q23-K27 PolarHBondContact O-N 3.34Å
24A98.2Very high97Very high42 Ų4270.5 Ų70.535%0.34736%0.357SS..Hα-helixtrans-65.7-38.4175.500000112.1N21 T22 R28N21-A24 HydrophobicContact CB-CB 3.97Å; N21-A24 PolarHBondContact O-N 3.36Å; N21-A24 PolarHBondContact OD1-N 3.28Å; T22-A24 PolarHBondContact O-N 2.97Å; A24-R28 WeakPolarHBondContact O-CB 3.46Å; A24-R28 PolarHBondContact O-N 3.49Å
25V98.6Very high97Very high2 Ų271 Ų711%0.01236%0.362CS..Hα-helixtrans-62.6-50.1174.8170.70000110.8V20 N21 T22 Q23 K27 R28 A29 F199 P231 I234 V235V20-V25 HydrophobicContact CG1-CG2 3.78Å; N21-V25 WeakPolarHBondContact O-CG2 3.35Å; N21-V25 PolarHBondContact O-N 3.08Å; T22-V25 PolarHBondContact O-N 3.37Å; Q23-V25 VanDerWaalsContact C-N 3.35Å; V25-K27 PolarHBondContact O-N 3.48Å; V25-R28 PolarHBondContact O-N 3.28Å; V25-A29 PolarHBondContact O-N 3.29Å; V25-F199 HydrophobicContact CB-CD2 4.36Å; V25-F199 HydrophobicContact CB-CE2 4.23Å; V25-F199 HydrophobicContact CG1-CD2 4.13Å; V25-F199 HydrophobicContact CG1-CE2 3.8Å; V25-F199 HydrophobicContact CG1-CZ 4.16Å; V25-P231 HydrophobicContact CG1-CB 3.97Å; V25-P231 VanDerWaalsContact CG1-O 3.28Å; V25-P231 WeakPolarHBondContact CG1-O 3.49Å; V25-I234 HydrophobicContact CG1-CB 4.29Å; V25-I234 HydrophobicContact CG1-CG2 4.28Å; V25-I234 HydrophobicContact CG2-CG2 4.49Å; V25-V235 HydrophobicContact CG1-CG2 3.9Å; V25-V235 HydrophobicContact CG2-CG2 4.01Å
26L98.6Very high96.9Very high70 Ų7081 Ų8137%0.36641%0.406SS..Hα-helixtrans-60.9-45.9-180-67.6174.7000111.6T22 Q23 R28 A29 Q30 F199 P231T22-L26 HydrophobicContact CG2-CD1 4.05Å; T22-L26 HydrophobicContact CG2-CG 4.41Å; T22-L26 WeakPolarHBondContact O-CG 3.29Å; T22-L26 PolarHBondContact O-N 2.95Å; Q23-L26 PolarHBondContact O-N 3.18Å; L26-R28 VanDerWaalsContact C-N 3.34Å; L26-R28 PolarHBondContact O-N 3.38Å; L26-A29 PolarHBondContact O-N 2.89Å; L26-Q30 WeakPolarHBondContact O-CB 3.27Å; L26-Q30 PolarHBondContact O-N 3.01Å; L26-F199 HydrophobicContact CD2-CE2 4.42Å; L26-F199 HydrophobicContact CD2-CZ 4.4Å; L26-P231 HydrophobicContact CD2-CB 4.08Å; L26-P231 HydrophobicContact CD2-CG 3.93Å
27K98.5Very high96.9Very high142 Ų14279.6 Ų79.662%0.61739%0.393SS*.Hα-helixtrans-60.4-41.8176.1-74.4178.5180-176.20112.2Q23 V25 Q30 H31Q23-K27 WeakPolarHBondContact O-CB 3.43Å; Q23-K27 VanDerWaalsContact O-CG 3.29Å; Q23-K27 WeakPolarHBondContact O-CG 3.47Å; Q23-K27 PolarHBondContact O-N 3.34Å; V25-K27 PolarHBondContact O-N 3.48Å; K27-Q30 PolarHBondContact O-N 2.96Å; K27-H31 WeakPolarHBondContact O-CB 3.5Å; K27-H31 PolarHBondContact O-N 3.24Å
28R98.4Very high96.8Very high56 Ų5674.9 Ų74.921%0.21138%0.375CS..Hα-helixtrans-67-42.2178.5-176.357.9170.6170.24.1112A24 V25 L26 H31 I32 I234 E274 E275A24-R28 WeakPolarHBondContact O-CB 3.46Å; A24-R28 PolarHBondContact O-N 3.49Å; V25-R28 PolarHBondContact O-N 3.28Å; L26-R28 VanDerWaalsContact C-N 3.34Å; L26-R28 PolarHBondContact O-N 3.38Å; R28-H31 PolarHBondContact NH1-CD2 3.17Å; R28-H31 PolarHBondContact O-N 3.46Å; R28-I32 HydrophobicContact CG-CD1 4.1Å; R28-I32 PolarHBondContact O-N 2.82Å; R28-I234 HydrophobicContact CB-CG2 4.49Å; R28-I234 HydrophobicContact CG-CD1 4.04Å; R28-I234 HydrophobicContact CG-CG1 4.38Å; R28-I234 HydrophobicContact CG-CG2 4.35Å; R28-E274 IonicContact NH2-OE2 3.14Å; R28-E275 IonicContact CZ-OE1 3.74Å; R28-E275 IonicContact NE-OE1 3.54Å; R28-E275 PolarHBondContact NE-OE1 2.96Å; R28-E275 IonicContact NH2-OE1 2.65Å; R28-E275 PolarHBondContact NH2-OE1 3.16Å
29A98.3Very high96.6Very high1 Ų182.2 Ų82.21%0.00841%0.406CS..Hα-helixtrans-60.1-48.5175.300000111.2V25 L26 H31 I32 Q33 P231 I234V25-A29 PolarHBondContact O-N 3.29Å; L26-A29 PolarHBondContact O-N 2.89Å; A29-H31 VanDerWaalsContact C-N 3.32Å; A29-H31 PolarHBondContact O-N 3.49Å; A29-I32 PolarHBondContact O-N 3.11Å; A29-Q33 WeakPolarHBondContact O-CG 3.33Å; A29-Q33 PolarHBondContact O-N 2.94Å; A29-Q33 PolarHBondContact O-OE1 3.22Å; A29-P231 HydrophobicContact CB-CB 4.35Å; A29-P231 HydrophobicContact CB-CG 3.77Å; A29-I234 HydrophobicContact CB-CG1 4.4Å
30Q98.3Very high96.6Very high142 Ų14280.8 Ų80.866%0.66441%0.406SS*.Hα-helixtrans-59.5-42.9176.6-173.1-177.817.500112L26 K27 Q33 G34L26-Q30 WeakPolarHBondContact O-CB 3.27Å; L26-Q30 PolarHBondContact O-N 3.01Å; K27-Q30 PolarHBondContact O-N 2.96Å; Q30-Q33 PolarHBondContact O-N 3.41Å; Q30-G34 PolarHBondContact O-N 2.96Å
31H98.3Very high96.4Very high99 Ų9985.1 Ų85.146%0.45842%0.424SS..Hα-helixtrans-59.4-48.9177175.476.1000111.8K27 R28 A29 Q33 G34 L35K27-H31 WeakPolarHBondContact O-CB 3.5Å; K27-H31 PolarHBondContact O-N 3.24Å; R28-H31 PolarHBondContact NH1-CD2 3.17Å; R28-H31 PolarHBondContact O-N 3.46Å; A29-H31 VanDerWaalsContact C-N 3.32Å; A29-H31 PolarHBondContact O-N 3.49Å; H31-Q33 VanDerWaalsContact C-N 3.33Å; H31-Q33 PolarHBondContact O-N 2.83Å; H31-G34 CarbonylContact O-C 3.59Å; H31-G34 PolarHBondContact O-N 2.89Å; H31-L35 PolarHBondContact O-N 2.74Å
32I97.4Very high96.3Very high1 Ų188 Ų881%0.00543%0.427CS..Hα-helixtrans-61.5-41.5178.9-76.6164000111.5R28 A29 G34 L35 I234 V267 L271R28-I32 HydrophobicContact CG-CD1 4.1Å; R28-I32 PolarHBondContact O-N 2.82Å; A29-I32 PolarHBondContact O-N 3.11Å; I32-G34 PolarHBondContact O-N 3.31Å; I32-L35 HydrophobicContact CG1-CD1 4.36Å; I32-L35 WeakPolarHBondContact O-CB 3.15Å; I32-L35 PolarHBondContact O-N 3.08Å; I32-I234 HydrophobicContact CD1-CD1 3.55Å; I32-V267 HydrophobicContact CG2-CG1 4.15Å; I32-L271 HydrophobicContact CD1-CG 4.15Å; I32-L271 HydrophobicContact CG2-CB 3.96Å; I32-L271 HydrophobicContact CG2-CG 4.49Å
33Q96.6Very high96.2Very high100 Ų10087.7 Ų87.747%0.46742%0.421SS..Hα-helixtrans-64.8-26.8176.2-69.3176-96.100112.9A29 Q30 H31 Y230 V267A29-Q33 WeakPolarHBondContact O-CG 3.33Å; A29-Q33 PolarHBondContact O-N 2.94Å; A29-Q33 PolarHBondContact O-OE1 3.22Å; Q30-Q33 PolarHBondContact O-N 3.41Å; H31-Q33 VanDerWaalsContact C-N 3.33Å; H31-Q33 PolarHBondContact O-N 2.83Å; Q33-Y230 HydrophobicContact CG-CD2 3.52Å; Q33-Y230 HydrophobicContact CG-CE2 3.79Å; Q33-Y230 HydrophobicContact CG-CG 4Å; Q33-Y230 VanDerWaalsContact NE2-CD2 3.34Å; Q33-V267 HydrophobicContact CG-CG1 4.23Å
34G96Very high96.2Very high63 Ų6382.3 Ų82.365%0.64940%0.396SS*.THydrogen-bonded Turntrans-86.5-4.3176.800000114.8Q30 H31 I32Q30-G34 PolarHBondContact O-N 2.96Å; H31-G34 CarbonylContact O-C 3.59Å; H31-G34 PolarHBondContact O-N 2.89Å; I32-G34 PolarHBondContact O-N 3.31Å
35L95Very high96.1Very high50 Ų5082.7 Ų82.726%0.26240%0.399SS..SBendtrans-66.6145.4178.9-69.3175.8000111.2H31 I32 L37 T270 E274H31-L35 PolarHBondContact O-N 2.74Å; I32-L35 HydrophobicContact CG1-CD1 4.36Å; I32-L35 WeakPolarHBondContact O-CB 3.15Å; I32-L35 PolarHBondContact O-N 3.08Å; L35-L37 PolarHBondContact O-N 2.8Å; L35-T270 HydrophobicContact CD1-CG2 3.74Å; L35-E274 HydrophobicContact CD1-CG 4.28Å
36K93.9Very high96Very high210 Ų21085.4 Ų85.491%0.91341%0.409SS*.PPolyproline II helixtrans-68.7117.3175.3-71.2-178-179174.90109.4
37L93.6Very high96Very high36 Ų3682.1 Ų82.119%0.18839%0.392CS..PPolyproline II helixtrans-75.3152.4175.8-60.8177.8000111.5L35 Q263 L266 V267L35-L37 PolarHBondContact O-N 2.8Å; L37-Q263 HydrophobicContact CD1-CG 3.75Å; L37-L266 HydrophobicContact CD1-CB 4.08Å; L37-L266 HydrophobicContact CD1-CD1 4.36Å; L37-L266 HydrophobicContact CD2-CB 4.02Å; L37-V267 HydrophobicContact CD1-CG2 4.06Å; L37-V267 HydrophobicContact CD2-CG2 4.11Å
38P91.9Very high96Very high30 Ų3075.9 Ų75.920%0.19537%0.365CS..PPolyproline II helixtrans-55.9148.9173.3-22.532.8000111.9W42 Q43 W46P38-W42 HydrophobicContact CB-CB 3.83Å; P38-Q43 WeakPolarHBondContact O-CB 3.36Å; P38-W46 HydrophobicContact CG-CD2 3.86Å; P38-W46 HydrophobicContact CG-CE3 4.28Å; P38-W46 HydrophobicContact CG-CG 4.12Å; P38-W46 HydrophobicContact CG-CZ2 4.31Å
39K92.1Very high96Very high164 Ų16475.8 Ų75.871%0.71337%0.367SS*.  trans-122160.6-179.8-63.6-171.8178.5-173.70111.3W42K39-W42 PolarHBondContact O-N 2.83Å
40K92.4Very high96Very high166 Ų16675.8 Ų75.872%0.72237%0.366SS*.THydrogen-bonded Turntrans54.1-135.2176.3-56.3-175.8177.1-175.70110.9W42 Q43 T44K40-W42 PolarHBondContact O-N 3.03Å; K40-W42 VanDerWaalsContact O-N 3.1Å; K40-Q43 WeakPolarHBondContact O-CA 3.49Å; K40-Q43 WeakPolarHBondContact O-CB 3.47Å; K40-Q43 PolarHBondContact O-N 3.43Å; K40-T44 PolarHBondContact O-N 3.13Å; K40-T44 PolarHBondContact O-OG1 3.4Å
41Q94.1Very high96Very high121 Ų12169 Ų6957%0.56534%0.335SS*.Hα-helixtrans-53.1-34.1-177.870.6-166.238.600113.9T44 A45Q41-T44 PolarHBondContact O-N 2.89Å; Q41-A45 WeakPolarHBondContact O-CB 3.43Å; Q41-A45 PolarHBondContact O-N 2.82Å
42W96Very high96Very high165 Ų16565.4 Ų65.463%0.62532%0.321SS*.Hα-helixtrans-71.5-34.7179.1-56110.5000112.2P38 K39 K40 W46P38-W42 HydrophobicContact CB-CB 3.83Å; K39-W42 PolarHBondContact O-N 2.83Å; K40-W42 PolarHBondContact O-N 3.03Å; K40-W42 VanDerWaalsContact O-N 3.1Å; W42-W46 PolarHBondContact O-N 3.28Å; W42-W46 VanDerWaalsContact O-N 3.09Å
43Q96.8Very high96.1Very high63 Ų6365.4 Ų65.429%0.29432%0.321SS..Hα-helixtrans-60.8-50.5171.4-166.2-177.48.900109.5P38 K40 A45 W46 L47 L266P38-Q43 WeakPolarHBondContact O-CB 3.36Å; K40-Q43 WeakPolarHBondContact O-CA 3.49Å; K40-Q43 WeakPolarHBondContact O-CB 3.47Å; K40-Q43 PolarHBondContact O-N 3.43Å; Q43-A45 PolarHBondContact O-N 3.31Å; Q43-W46 PolarHBondContact O-N 2.96Å; Q43-W46 VanDerWaalsContact O-N 3.14Å; Q43-L47 HydrophobicContact CG-CD1 4.38Å; Q43-L47 WeakPolarHBondContact O-CG 3.48Å; Q43-L47 PolarHBondContact O-N 3.31Å; Q43-L266 HydrophobicContact CG-CD1 3.65Å
44T96.4Very high96.2Very high6 Ų660.6 Ų60.64%0.03730%0.298CS..Hα-helixtrans-59.9-45-179.8-490000111.9K40 Q41 W46 L47 L48 M87 V301 H304K40-T44 PolarHBondContact O-N 3.13Å; K40-T44 PolarHBondContact O-OG1 3.4Å; Q41-T44 PolarHBondContact O-N 2.89Å; T44-W46 VanDerWaalsContact C-N 3.31Å; T44-W46 PolarHBondContact O-N 2.98Å; T44-L47 WeakPolarHBondContact O-CB 3.27Å; T44-L47 PolarHBondContact O-N 3.36Å; T44-L47 VanDerWaalsContact O-N 3.08Å; T44-L48 WeakPolarHBondContact O-CG 3.31Å; T44-L48 PolarHBondContact O-N 2.85Å; T44-M87 HydrophobicContact CG2-CE 4.45Å; T44-M87 HydrophobicContact CG2-SD 3.41Å; T44-M87 WeakPolarHBondContact CG2-SD 3.23Å; T44-V301 HydrophobicContact CG2-CG2 4.26Å; T44-H304 PolarHBondContact OG1-CD2 2.94Å; T44-H304 PolarHBondContact OG1-ND1 2.93Å; T44-H304 PolarHBondContact OG1-NE2 3.48Å
45A96.5Very high96.3Very high50 Ų5057.6 Ų57.641%0.41327%0.267SS..Hα-helixtrans-58.2-42.7175.500000112.2Q41 Q43 L47 L48 K49Q41-A45 WeakPolarHBondContact O-CB 3.43Å; Q41-A45 PolarHBondContact O-N 2.82Å; Q43-A45 PolarHBondContact O-N 3.31Å; A45-L47 VanDerWaalsContact C-N 3.34Å; A45-L48 PolarHBondContact O-N 2.85Å; A45-K49 WeakPolarHBondContact O-CB 3.48Å; A45-K49 PolarHBondContact O-N 2.98Å
46W97.8Very high96.5Very high58 Ų5855.2 Ų55.222%0.2226%0.255CS..Hα-helixtrans-69.4-30.3175.8-80.652.2000113.1P38 W42 Q43 T44 K49 A50 L266 L269 T270 K273P38-W46 HydrophobicContact CG-CD2 3.86Å; P38-W46 HydrophobicContact CG-CE3 4.28Å; P38-W46 HydrophobicContact CG-CG 4.12Å; P38-W46 HydrophobicContact CG-CZ2 4.31Å; W42-W46 PolarHBondContact O-N 3.28Å; W42-W46 VanDerWaalsContact O-N 3.09Å; Q43-W46 PolarHBondContact O-N 2.96Å; Q43-W46 VanDerWaalsContact O-N 3.14Å; T44-W46 VanDerWaalsContact C-N 3.31Å; T44-W46 PolarHBondContact O-N 2.98Å; W46-K49 WeakPolarHBondContact O-CB 3.4Å; W46-K49 PolarHBondContact O-N 3.5Å; W46-A50 WeakPolarHBondContact O-CB 3.43Å; W46-A50 PolarHBondContact O-N 3.39Å; W46-L266 HydrophobicContact CB-CD2 3.34Å; W46-L266 HydrophobicContact CE3-CD2 4.31Å; W46-L266 HydrophobicContact CG-CD2 4.32Å; W46-L269 HydrophobicContact CE3-CB 3.82Å; W46-L269 HydrophobicContact CE3-CD1 4.09Å; W46-L269 HydrophobicContact CZ3-CB 3.79Å; W46-L269 VanDerWaalsContact O-CD1 3.29Å; W46-L269 WeakPolarHBondContact O-CD1 3.33Å; W46-T270 WeakPolarHBondContact CZ3-OG1 3.43Å; W46-K273 HydrophobicContact CH2-CD 3.98Å; W46-K273 HydrophobicContact CZ2-CD 4.29Å
47L98.4Very high96.7Very high2 Ų246.3 Ų46.31%0.0122%0.218CC..Hα-helixtrans-70.9-40.7174.4-70.3179.9000112.1Q43 T44 A45 K49 A50 A51 A262 L266 I297 Q300Q43-L47 HydrophobicContact CG-CD1 4.38Å; Q43-L47 WeakPolarHBondContact O-CG 3.48Å; Q43-L47 PolarHBondContact O-N 3.31Å; T44-L47 WeakPolarHBondContact O-CB 3.27Å; T44-L47 PolarHBondContact O-N 3.36Å; T44-L47 VanDerWaalsContact O-N 3.08Å; A45-L47 VanDerWaalsContact C-N 3.34Å; L47-K49 VanDerWaalsContact C-N 3.26Å; L47-K49 PolarHBondContact O-N 2.92Å; L47-A50 WeakPolarHBondContact O-CB 3.41Å; L47-A50 PolarHBondContact O-N 3.14Å; L47-A51 PolarHBondContact O-N 3.45Å; L47-A262 HydrophobicContact CD1-CB 4.28Å; L47-A262 HydrophobicContact CD2-CB 3.65Å; L47-L266 HydrophobicContact CD2-CD1 4.26Å; L47-L266 HydrophobicContact CD2-CD2 3.83Å; L47-L266 HydrophobicContact CD2-CG 3.88Å; L47-L266 HydrophobicContact CG-CD2 4.17Å; L47-I297 HydrophobicContact CB-CG2 4.11Å; L47-I297 HydrophobicContact CD2-CG1 4.32Å; L47-Q300 HydrophobicContact CD1-CB 3.7Å; L47-Q300 HydrophobicContact CD1-CG 4.41Å
48L98.1Very high96.9Very high10 Ų1045.9 Ų45.95%0.05222%0.217CC..Hα-helixtrans-62.5-38.8171-60.8-179.1000110.7T44 A45 A51 S52 V79 L84 M87 M89 L94 V301T44-L48 WeakPolarHBondContact O-CG 3.31Å; T44-L48 PolarHBondContact O-N 2.85Å; A45-L48 PolarHBondContact O-N 2.85Å; L48-A51 PolarHBondContact O-N 3.19Å; L48-S52 PolarHBondContact O-N 3.39Å; L48-V79 HydrophobicContact CD2-CG2 4.03Å; L48-L84 HydrophobicContact CD1-CD2 4.49Å; L48-L84 HydrophobicContact CD2-CD2 4.13Å; L48-M87 HydrophobicContact CD1-CE 4.14Å; L48-M87 HydrophobicContact CD2-CE 4.37Å; L48-M89 HydrophobicContact CD1-CB 4.28Å; L48-M89 HydrophobicContact CD1-CE 4.1Å; L48-M89 HydrophobicContact CD1-CG 3.8Å; L48-L94 HydrophobicContact CB-CD2 4.41Å; L48-L94 HydrophobicContact CD2-CD2 3.79Å; L48-L94 WeakPolarHBondContact O-CD1 3.22Å; L48-V301 HydrophobicContact CD2-CG2 4.04Å
49K98.1Very high97.1Very high55 Ų5545.3 Ų45.324%0.23921%0.212CC..Hα-helixtrans-61.2-45.2172.5-176.960.1174.3169.10112.1A45 W46 L47 S52 C53 L269 L281A45-K49 WeakPolarHBondContact O-CB 3.48Å; A45-K49 PolarHBondContact O-N 2.98Å; W46-K49 WeakPolarHBondContact O-CB 3.4Å; W46-K49 PolarHBondContact O-N 3.5Å; L47-K49 VanDerWaalsContact C-N 3.26Å; L47-K49 PolarHBondContact O-N 2.92Å; K49-S52 PolarHBondContact O-N 3Å; K49-S52 PolarHBondContact O-OG 2.99Å; K49-C53 PolarHBondContact O-N 3.36Å; K49-L269 HydrophobicContact CB-CD1 4.4Å; K49-L269 HydrophobicContact CG-CD1 4.29Å; K49-L281 WeakPolarHBondContact CE-O 3.39Å; K49-L281 PolarHBondContact NZ-O 3.19Å
50A98.4Very high97.2Very high0 Ų039.1 Ų39.10%019%0.192CC..Hα-helixtrans-60.5-45.3175.800000111.3W46 L47 S52 C53 I54 A265 L269 L288 I297W46-A50 WeakPolarHBondContact O-CB 3.43Å; W46-A50 PolarHBondContact O-N 3.39Å; L47-A50 WeakPolarHBondContact O-CB 3.41Å; L47-A50 PolarHBondContact O-N 3.14Å; A50-S52 VanDerWaalsContact C-N 3.26Å; A50-S52 PolarHBondContact O-N 3.24Å; A50-C53 WeakPolarHBondContact O-CA 3.3Å; A50-C53 PolarHBondContact O-N 3.36Å; A50-I54 PolarHBondContact O-N 3.12Å; A50-A265 HydrophobicContact CB-CB 3.88Å; A50-L269 HydrophobicContact CB-CD1 3.85Å; A50-L288 HydrophobicContact CB-CD1 4.11Å; A50-I297 HydrophobicContact CB-CD1 3.97Å
51A98.5Very high97.3Very high0 Ų035.6 Ų35.60%020%0.203CC..Hα-helixtrans-56-41.8175.900000111.8L47 L48 C53 I54 T96 L294 I297L47-A51 PolarHBondContact O-N 3.45Å; L48-A51 PolarHBondContact O-N 3.19Å; A51-C53 PolarHBondContact O-N 3.38Å; A51-C53 VanDerWaalsContact O-N 3.16Å; A51-I54 WeakPolarHBondContact O-CB 3.49Å; A51-I54 PolarHBondContact O-N 2.9Å; A51-I54 VanDerWaalsContact O-N 3.09Å; A51-T96 WeakPolarHBondContact O-CA 3.23Å; A51-L294 HydrophobicContact CB-CD1 4.13Å; A51-I297 HydrophobicContact CB-CG2 4.32Å
52S98.3Very high97.4Very high24 Ų2435.3 Ų35.317%0.16821%0.205CC..Hα-helixtrans-63.5-18.7176.479.20000114.7L48 K49 A50 T95 A97 P283L48-S52 PolarHBondContact O-N 3.39Å; K49-S52 PolarHBondContact O-N 3Å; K49-S52 PolarHBondContact O-OG 2.99Å; A50-S52 VanDerWaalsContact C-N 3.26Å; A50-S52 PolarHBondContact O-N 3.24Å; S52-T95 VanDerWaalsContact CA-O 3.32Å; S52-T95 WeakPolarHBondContact CA-O 3.46Å; S52-A97 WeakPolarHBondContact O-CB 3.4Å; S52-A97 PolarHBondContact O-N 3.04Å; S52-P283 WeakPolarHBondContact O-CG 3.48Å
53C98.6Very high97.4Very high0 Ų028 Ų280%018%0.178CC..THydrogen-bonded Turntrans-99.41.8178-62.10000112.6K49 A50 A51 F286 R287 L288K49-C53 PolarHBondContact O-N 3.36Å; A50-C53 WeakPolarHBondContact O-CA 3.3Å; A50-C53 PolarHBondContact O-N 3.36Å; A51-C53 PolarHBondContact O-N 3.38Å; A51-C53 VanDerWaalsContact O-N 3.16Å; C53-F286 HydrophobicContact CB-CD1 3.96Å; C53-F286 HydrophobicContact CB-CE1 4.33Å; C53-R287 CarbonylContact O-C 3.47Å; C53-R287 WeakPolarHBondContact O-CA 3.33Å; C53-L288 PolarHBondContact O-N 2.92Å
54I98.8Very high97.5Very high0 Ų027.8 Ų27.80%018%0.181CC..EExtended strand (participates in β ladder)trans-75.3131.8-177.6-71.3175.7000111.1A50 A51 L56 T96 A97 A98 L288 L293 L294 I297A50-I54 PolarHBondContact O-N 3.12Å; A51-I54 WeakPolarHBondContact O-CB 3.49Å; A51-I54 PolarHBondContact O-N 2.9Å; A51-I54 VanDerWaalsContact O-N 3.09Å; I54-L56 HydrophobicContact CG2-CB 4.06Å; I54-L56 HydrophobicContact CG2-CD1 4.19Å; I54-T96 HydrophobicContact CB-CG2 4.3Å; I54-T96 HydrophobicContact CG2-CG2 4.4Å; I54-T96 WeakPolarHBondContact O-CB 3.4Å; I54-A97 WeakPolarHBondContact O-CB 3.31Å; I54-A97 PolarHBondContact O-N 2.89Å; I54-A98 PolarHBondContact O-N 3.03Å; I54-L288 WeakPolarHBondContact CA-O 3.49Å; I54-L288 HydrophobicContact CG1-CB 4.12Å; I54-L288 HydrophobicContact CG1-CD1 4.39Å; I54-L293 HydrophobicContact CD1-CD2 4.07Å; I54-L293 HydrophobicContact CD1-CG 4.16Å; I54-L293 HydrophobicContact CG1-CD2 4.37Å; I54-L294 HydrophobicContact CD1-CB 3.98Å; I54-L294 HydrophobicContact CD1-CD1 4.25Å; I54-I297 HydrophobicContact CD1-CD1 3.93Å
55D98.8Very high97.5Very high0 Ų030.5 Ų30.50%020%0.199CC..EExtended strand (participates in β ladder)trans-89.498156.7-76.11.3000107T57 A98 K188 K254 R287 L288 A290D55-T57 PolarHBondContact O-N 3.07Å; D55-T57 VanDerWaalsContact O-N 3.13Å; D55-T57 PolarHBondContact O-OG1 2.91Å; D55-A98 WeakPolarHBondContact OD1-CB 3.07Å; D55-K188 IonicContact OD2-NZ 3.92Å; D55-K254 WeakPolarHBondContact OD2-CD 3.27Å; D55-K254 WeakPolarHBondContact OD2-CE 3.46Å; D55-K254 IonicContact OD2-NZ 3.07Å; D55-K254 PolarHBondContact OD2-NZ 3.4Å; D55-R287 WeakPolarHBondContact OD1-CD 3.17Å; D55-R287 IonicContact OD1-CZ 3.71Å; D55-R287 IonicContact OD1-NE 3.33Å; D55-R287 IonicContact OD1-NH1 3.96Å; D55-R287 PolarHBondContact OD1-NH1 3.33Å; D55-R287 IonicContact OD2-NH1 2.62Å; D55-R287 PolarHBondContact OD2-NH1 2.92Å; D55-L288 PolarHBondContact N-O 3.01Å; D55-A290 PolarHBondContact O-N 2.88Å
56L98.6Very high97.6Very high0 Ų031.9 Ų31.90%021%0.206CC..EExtended strand (participates in β ladder)trans-73111.7-173.2-169.664.4000108.3I54 L71 K74 A75 T96 A98 V99 C100 L294 A318I54-L56 HydrophobicContact CG2-CB 4.06Å; I54-L56 HydrophobicContact CG2-CD1 4.19Å; L56-L71 HydrophobicContact CD2-CD1 3.98Å; L56-L71 HydrophobicContact CD2-CG 4.24Å; L56-L71 HydrophobicContact CG-CD1 3.67Å; L56-L71 HydrophobicContact CG-CG 4.23Å; L56-K74 HydrophobicContact CD2-CB 4.11Å; L56-K74 HydrophobicContact CD2-CG 4.04Å; L56-A75 HydrophobicContact CB-CB 4.47Å; L56-A75 HydrophobicContact CD2-CB 4.05Å; L56-T96 HydrophobicContact CB-CG2 4.34Å; L56-A98 PolarHBondContact N-O 3.26Å; L56-V99 CarbonylContact O-C 3.39Å; L56-V99 VanDerWaalsContact O-CA 3.29Å; L56-V99 WeakPolarHBondContact O-CA 3.41Å; L56-C100 PolarHBondContact O-N 3.45Å; L56-L294 HydrophobicContact CD1-CB 4.02Å; L56-L294 HydrophobicContact CD1-CD2 3.85Å; L56-L294 HydrophobicContact CD2-CD2 3.91Å; L56-L294 HydrophobicContact CG-CD2 4.48Å; L56-A318 HydrophobicContact CD1-CB 4.42Å
57T98.4Very high97.5Very high22 Ų2231.2 Ų31.214%0.13521%0.206CC..EExtended strand (participates in β ladder)trans-113132.1-161-57.50000111.4D55 L59 C100 A290 S291D55-T57 PolarHBondContact O-N 3.07Å; D55-T57 VanDerWaalsContact O-N 3.13Å; D55-T57 PolarHBondContact O-OG1 2.91Å; T57-L59 HydrophobicContact CG2-CB 4.49Å; T57-L59 HydrophobicContact CG2-CD1 3.65Å; T57-L59 HydrophobicContact CG2-CG 3.65Å; T57-C100 WeakPolarHBondContact CA-O 3.17Å; T57-C100 HydrophobicContact CG2-CB 3.97Å; T57-C100 WeakPolarHBondContact OG1-CB 3.47Å; T57-A290 PolarHBondContact N-O 3.45Å; T57-A290 VanDerWaalsContact N-O 3.08Å; T57-S291 WeakPolarHBondContact O-CB 3.13Å
58T97.5Very high97.5Very high28 Ų2831.1 Ų31.117%0.17221%0.206CC..  trans-124.6128.1157-165.40000109.8D63 V68 L71 C100 V101T58-D63 VanDerWaalsContact CG2-OD1 3.32Å; T58-D63 WeakPolarHBondContact CG2-OD1 3.42Å; T58-D63 PolarHBondContact OG1-OD1 3.06Å; T58-D63 PolarHBondContact OG1-OD2 2.79Å; T58-V68 HydrophobicContact CG2-CG2 4.28Å; T58-L71 HydrophobicContact CG2-CD1 4.48Å; T58-L71 HydrophobicContact CG2-CD2 3.81Å; T58-C100 PolarHBondContact N-O 3.44Å; T58-V101 HydrophobicContact CG2-CG1 4.17Å; T58-V101 WeakPolarHBondContact O-CA 3.46Å
59L96.8Very high97.5Very high17 Ų1734.8 Ų34.89%0.08922%0.223CC..  trans-144.952.8-178.6-67.3173.2000107.8T57 D63 V101 Y102 V125 F129 K223T57-L59 HydrophobicContact CG2-CB 4.49Å; T57-L59 HydrophobicContact CG2-CD1 3.65Å; T57-L59 HydrophobicContact CG2-CG 3.65Å; L59-D63 WeakPolarHBondContact CA-OD2 3.3Å; L59-D63 PolarHBondContact N-OD2 2.88Å; L59-V101 VanDerWaalsContact CD2-C 3.47Å; L59-Y102 VanDerWaalsContact CA-CE2 3.44Å; L59-Y102 HydrophobicContact CB-CD2 4.35Å; L59-Y102 HydrophobicContact CB-CE2 3.82Å; L59-Y102 HydrophobicContact CD2-CD1 4.01Å; L59-Y102 HydrophobicContact CD2-CD2 3.87Å; L59-Y102 HydrophobicContact CD2-CE1 4.18Å; L59-Y102 HydrophobicContact CD2-CE2 4.06Å; L59-Y102 HydrophobicContact CD2-CG 3.85Å; L59-V125 HydrophobicContact CD1-CG1 3.71Å; L59-V125 HydrophobicContact CD1-CG2 4.5Å; L59-V125 HydrophobicContact CD2-CB 4.49Å; L59-V125 HydrophobicContact CD2-CG1 4.07Å; L59-V125 HydrophobicContact CD2-CG2 3.59Å; L59-F129 HydrophobicContact CD1-CE1 4.09Å; L59-F129 HydrophobicContact CD1-CE2 4.35Å; L59-F129 HydrophobicContact CD1-CZ 3.69Å; L59-K223 PolarHBondContact O-NZ 2.77Å
60A94.9Very high97.5Very high34 Ų3437.4 Ų37.428%0.28123%0.231SC..  trans-101.7149.2179.900000110.3D62 D63A60-D62 WeakPolarHBondContact CB-OD1 3.47Å; A60-D62 PolarHBondContact O-N 2.98Å; A60-D63 PolarHBondContact N-OD2 2.94Å; A60-D63 WeakPolarHBondContact O-CB 3.34Å; A60-D63 PolarHBondContact O-N 2.91Å
61G94.2Very high97.5Very high93 Ų9337.5 Ų37.596%0.95923%0.232SC*.THydrogen-bonded Turntrans-66.6-19-179.400000113.2
62D95Very high97.5Very high115 Ų11537.6 Ų37.662%0.61523%0.232SC*.THydrogen-bonded Turntrans-101.917.117964.7-29000112.9A60 T64A60-D62 WeakPolarHBondContact CB-OD1 3.47Å; A60-D62 PolarHBondContact O-N 2.98Å; D62-T64 PolarHBondContact O-N 3.07Å; D62-T64 VanDerWaalsContact O-N 3.16Å
63D96.8Very high97.4Very high11 Ų1139.9 Ų39.96%0.05925%0.245CC..  trans-60.7119.1176-83.9-35.4000111.7T58 L59 A60 R105T58-D63 VanDerWaalsContact CG2-OD1 3.32Å; T58-D63 WeakPolarHBondContact CG2-OD1 3.42Å; T58-D63 PolarHBondContact OG1-OD1 3.06Å; T58-D63 PolarHBondContact OG1-OD2 2.79Å; L59-D63 WeakPolarHBondContact CA-OD2 3.3Å; L59-D63 PolarHBondContact N-OD2 2.88Å; A60-D63 PolarHBondContact N-OD2 2.94Å; A60-D63 WeakPolarHBondContact O-CB 3.34Å; A60-D63 PolarHBondContact O-N 2.91Å; D63-R105 HydrophobicContact CB-CG 4.34Å; D63-R105 PolarHBondContact O-NE 2.89Å; D63-R105 PolarHBondContact O-NH2 2.73Å
64T97.6Very high97.4Very high58 Ų5840.4 Ų40.436%0.35625%0.247SC..  trans-108.7160.8176.163.80000111.2D62 S66 N67 V68D62-T64 PolarHBondContact O-N 3.07Å; D62-T64 VanDerWaalsContact O-N 3.16Å; T64-S66 PolarHBondContact O-N 3.36Å; T64-N67 PolarHBondContact O-N 3.31Å; T64-N67 VanDerWaalsContact O-N 3.12Å; T64-N67 PolarHBondContact OG1-N 3.16Å; T64-N67 PolarHBondContact OG1-OD1 2.81Å; T64-V68 WeakPolarHBondContact O-CG2 3.4Å; T64-V68 PolarHBondContact O-N 3.39Å; T64-V68 VanDerWaalsContact O-N 3.07Å
65P98.2Very high97.4Very high64 Ų6440.4 Ų40.442%0.41625%0.247SC..Hα-helixtrans-52.2-37.3171.6-27.234.8000113.1V68 H69 D108P65-V68 PolarHBondContact O-N 3.38Å; P65-H69 WeakPolarHBondContact O-CB 3.39Å; P65-H69 PolarHBondContact O-N 2.92Å; P65-D108 HydrophobicContact CB-CB 4.44Å
66S97.3Very high97.3Very high79 Ų7942.7 Ų42.755%0.55226%0.259SS*.Hα-helixtrans-66.8-39.7179.1-57.80000113.1T64 H69 R70T64-S66 PolarHBondContact O-N 3.36Å; S66-H69 PolarHBondContact O-N 2.67Å; S66-R70 PolarHBondContact O-N 2.89Å; S66-R70 PolarHBondContact O-NH1 3.14Å
67N96.1Very high97.2Very high43 Ų4347.6 Ų47.623%0.2328%0.282CS..Hα-helixtrans-68.1-42.9176.2-65.8-2.4000110.5T64 H69 R70 L71T64-N67 PolarHBondContact O-N 3.31Å; T64-N67 VanDerWaalsContact O-N 3.12Å; T64-N67 PolarHBondContact OG1-N 3.16Å; T64-N67 PolarHBondContact OG1-OD1 2.81Å; N67-H69 VanDerWaalsContact C-N 3.3Å; N67-H69 PolarHBondContact O-N 3.35Å; N67-R70 VanDerWaalsContact CG-NH2 3.33Å; N67-R70 PolarHBondContact O-N 3.29Å; N67-R70 VanDerWaalsContact OD1-CZ 3.27Å; N67-R70 PolarHBondContact OD1-NH1 2.91Å; N67-R70 PolarHBondContact OD1-NH2 3.19Å; N67-L71 PolarHBondContact O-N 2.97Å
68V98.3Very high97.1Very high0 Ų046.6 Ų46.60%028%0.276CS..Hα-helixtrans-62.6-37.1176.1174.30000111.7T58 T64 P65 L71 C72 V101 R105 D108 A109T58-V68 HydrophobicContact CG2-CG2 4.28Å; T64-V68 WeakPolarHBondContact O-CG2 3.4Å; T64-V68 PolarHBondContact O-N 3.39Å; T64-V68 VanDerWaalsContact O-N 3.07Å; P65-V68 PolarHBondContact O-N 3.38Å; V68-L71 WeakPolarHBondContact O-CB 3.4Å; V68-L71 PolarHBondContact O-N 3.2Å; V68-C72 PolarHBondContact O-N 2.74Å; V68-C72 PolarHBondContact O-SG 2.97Å; V68-V101 HydrophobicContact CG1-CG1 4.22Å; V68-V101 HydrophobicContact CG2-CG1 4.37Å; V68-R105 HydrophobicContact CG2-CB 3.94Å; V68-R105 HydrophobicContact CG2-CG 4.05Å; V68-D108 HydrophobicContact CG1-CB 4.15Å; V68-A109 HydrophobicContact CG1-CB 3.72Å
69H98.3Very high97.1Very high88 Ų8845.2 Ų45.241%0.40727%0.267SS..Hα-helixtrans-60.8-48173.4178.971.9000111.9P65 S66 N67 L71 C72 V73 S112P65-H69 WeakPolarHBondContact O-CB 3.39Å; P65-H69 PolarHBondContact O-N 2.92Å; S66-H69 PolarHBondContact O-N 2.67Å; N67-H69 VanDerWaalsContact C-N 3.3Å; N67-H69 PolarHBondContact O-N 3.35Å; H69-L71 VanDerWaalsContact C-N 3.35Å; H69-L71 PolarHBondContact O-N 2.73Å; H69-C72 WeakPolarHBondContact O-CB 3.31Å; H69-C72 PolarHBondContact O-N 3.46Å; H69-C72 VanDerWaalsContact O-N 3.16Å; H69-V73 WeakPolarHBondContact O-CG2 3.37Å; H69-V73 PolarHBondContact O-N 2.8Å; H69-S112 PolarHBondContact ND1-OG 3.15Å
70R97.5Very high96.9Very high109 Ų10948 Ų4841%0.41128%0.276SS..Hα-helixtrans-61.4-42.7177.1-67.9-165.9-51.6-83.92.2112S66 N67 C72 V73 K74S66-R70 PolarHBondContact O-N 2.89Å; S66-R70 PolarHBondContact O-NH1 3.14Å; N67-R70 VanDerWaalsContact CG-NH2 3.33Å; N67-R70 PolarHBondContact O-N 3.29Å; N67-R70 VanDerWaalsContact OD1-CZ 3.27Å; N67-R70 PolarHBondContact OD1-NH1 2.91Å; N67-R70 PolarHBondContact OD1-NH2 3.19Å; R70-C72 VanDerWaalsContact C-N 3.3Å; R70-C72 PolarHBondContact O-N 2.93Å; R70-V73 PolarHBondContact O-N 3.41Å; R70-K74 WeakPolarHBondContact O-CB 3.33Å; R70-K74 PolarHBondContact O-N 2.6Å
71L98.3Very high96.9Very high3 Ų350.9 Ų50.92%0.01628%0.281CS..Hα-helixtrans-54.3-47173.3-172.388.1000111.1L56 T58 N67 V68 H69 K74 A75 V99 V101L56-L71 HydrophobicContact CD2-CD1 3.98Å; L56-L71 HydrophobicContact CD2-CG 4.24Å; L56-L71 HydrophobicContact CG-CD1 3.67Å; L56-L71 HydrophobicContact CG-CG 4.23Å; T58-L71 HydrophobicContact CG2-CD1 4.48Å; T58-L71 HydrophobicContact CG2-CD2 3.81Å; N67-L71 PolarHBondContact O-N 2.97Å; V68-L71 WeakPolarHBondContact O-CB 3.4Å; V68-L71 PolarHBondContact O-N 3.2Å; H69-L71 VanDerWaalsContact C-N 3.35Å; H69-L71 PolarHBondContact O-N 2.73Å; L71-K74 PolarHBondContact O-N 3.24Å; L71-A75 WeakPolarHBondContact O-CB 3.5Å; L71-A75 PolarHBondContact O-N 2.97Å; L71-V99 HydrophobicContact CD2-CB 4.03Å; L71-V99 HydrophobicContact CD2-CG1 4.17Å; L71-V99 HydrophobicContact CG-CG1 4.33Å; L71-V101 HydrophobicContact CD2-CG1 4.02Å
72C98.6Very high96.9Very high1 Ų149.3 Ų49.31%0.00725%0.25CS..Hα-helixtrans-64-45.6179.2-68.30000112.3V68 H69 R70 K74 A75 I76 L113V68-C72 PolarHBondContact O-N 2.74Å; V68-C72 PolarHBondContact O-SG 2.97Å; H69-C72 WeakPolarHBondContact O-CB 3.31Å; H69-C72 PolarHBondContact O-N 3.46Å; H69-C72 VanDerWaalsContact O-N 3.16Å; R70-C72 VanDerWaalsContact C-N 3.3Å; R70-C72 PolarHBondContact O-N 2.93Å; C72-K74 VanDerWaalsContact C-N 3.32Å; C72-K74 PolarHBondContact O-N 2.84Å; C72-A75 WeakPolarHBondContact O-CB 3.38Å; C72-A75 PolarHBondContact O-N 2.91Å; C72-I76 VanDerWaalsContact O-CG1 3.32Å; C72-I76 WeakPolarHBondContact O-CG1 3.46Å; C72-I76 PolarHBondContact O-N 2.94Å; C72-L113 HydrophobicContact CB-CD2 3.76Å; C72-L113 HydrophobicContact CB-CG 4.1Å
73V97.6Very high97Very high72 Ų7243.9 Ų43.944%0.43622%0.221SC..Hα-helixtrans-61.7-42.6176.81740000110.8H69 R70 A75 I76 Q77H69-V73 WeakPolarHBondContact O-CG2 3.37Å; H69-V73 PolarHBondContact O-N 2.8Å; R70-V73 PolarHBondContact O-N 3.41Å; V73-A75 VanDerWaalsContact C-N 3.35Å; V73-A75 PolarHBondContact O-N 2.84Å; V73-I76 PolarHBondContact O-N 3.36Å; V73-Q77 PolarHBondContact O-N 3.46Å
74K97.6Very high96.9Very high12 Ų1243.8 Ų43.85%0.05222%0.221CC..Hα-helixtrans-66.4-35177.1-173.653.8168169.40112.5L56 R70 L71 C72 Q77 P78 L294 E298 A318L56-K74 HydrophobicContact CD2-CB 4.11Å; L56-K74 HydrophobicContact CD2-CG 4.04Å; R70-K74 WeakPolarHBondContact O-CB 3.33Å; R70-K74 PolarHBondContact O-N 2.6Å; L71-K74 PolarHBondContact O-N 3.24Å; C72-K74 VanDerWaalsContact C-N 3.32Å; C72-K74 PolarHBondContact O-N 2.84Å; K74-Q77 CarbonylContact O-C 3.58Å; K74-Q77 PolarHBondContact O-N 2.96Å; K74-P78 PolarHBondContact NZ-O 3.43Å; K74-P78 WeakPolarHBondContact O-CA 3.28Å; K74-P78 VanDerWaalsContact O-N 3.11Å; K74-L294 HydrophobicContact CD-CD2 4.33Å; K74-L294 HydrophobicContact CG-CD2 3.93Å; K74-E298 IonicContact NZ-OE1 3.92Å; K74-E298 PolarHBondContact NZ-OE1 3.1Å; K74-E298 IonicContact NZ-OE2 3.42Å; K74-E298 PolarHBondContact NZ-OE2 3.1Å; K74-A318 HydrophobicContact CG-CB 4.07Å
75A98.3Very high96.9Very high0 Ų048.2 Ų48.20%023%0.231CC..Hα-helixtrans-65.9-37.5174.400000112.8L56 L71 C72 V73 T96 V99 L120L56-A75 HydrophobicContact CB-CB 4.47Å; L56-A75 HydrophobicContact CD2-CB 4.05Å; L71-A75 WeakPolarHBondContact O-CB 3.5Å; L71-A75 PolarHBondContact O-N 2.97Å; C72-A75 WeakPolarHBondContact O-CB 3.38Å; C72-A75 PolarHBondContact O-N 2.91Å; V73-A75 VanDerWaalsContact C-N 3.35Å; V73-A75 PolarHBondContact O-N 2.84Å; A75-T96 WeakPolarHBondContact CA-OG1 3.27Å; A75-T96 HydrophobicContact CB-CG2 4.48Å; A75-T96 VanDerWaalsContact CB-OG1 3.24Å; A75-T96 WeakPolarHBondContact CB-OG1 3.49Å; A75-T96 PolarHBondContact O-N 2.9Å; A75-T96 PolarHBondContact O-OG1 3.16Å; A75-V99 HydrophobicContact CB-CG1 3.41Å; A75-V99 VanDerWaalsContact CB-CG1 3.41Å; A75-L120 HydrophobicContact CB-CD1 3.92Å
76I97.9Very high96.8Very high48 Ų4853.4 Ų53.425%0.24624%0.242CC..Hα-helixtrans-68.8-39.8175.3-64.6165.1000111C72 V73 P78 T95 L113 A116 L120C72-I76 VanDerWaalsContact O-CG1 3.32Å; C72-I76 WeakPolarHBondContact O-CG1 3.46Å; C72-I76 PolarHBondContact O-N 2.94Å; V73-I76 PolarHBondContact O-N 3.36Å; I76-P78 WeakPolarHBondContact O-CD 3.24Å; I76-T95 WeakPolarHBondContact O-CG2 3.5Å; I76-L113 HydrophobicContact CD1-CD2 3.78Å; I76-L113 HydrophobicContact CG1-CD2 3.94Å; I76-A116 HydrophobicContact CD1-CB 3.48Å; I76-A116 VanDerWaalsContact CD1-CB 3.48Å; I76-L120 HydrophobicContact CB-CD1 4.49Å; I76-L120 HydrophobicContact CG1-CD1 3.79Å
77Q96.4Very high96.7Very high102 Ų10251.7 Ų51.748%0.47723%0.226SC..SBendtrans-123.375.5179.2-165.8178.9-57.500110.9V73 K74 V79V73-Q77 PolarHBondContact O-N 3.46Å; K74-Q77 CarbonylContact O-C 3.58Å; K74-Q77 PolarHBondContact O-N 2.96Å; Q77-V79 VanDerWaalsContact C-N 3.26Å; Q77-V79 WeakPolarHBondContact CG-O 3.24Å; Q77-V79 PolarHBondContact O-N 3.5Å
78P96.6Very high96.6Very high1 Ų154.7 Ų54.71%0.00624%0.242CC..SBendtrans-63.7-32.4-173.622.5-32.9000113.1K74 I76 L94 T96 L294K74-P78 PolarHBondContact NZ-O 3.43Å; K74-P78 WeakPolarHBondContact O-CA 3.28Å; K74-P78 VanDerWaalsContact O-N 3.11Å; I76-P78 WeakPolarHBondContact O-CD 3.24Å; P78-L94 WeakPolarHBondContact CD-O 3.41Å; P78-L94 HydrophobicContact CG-CD2 4.1Å; P78-L94 HydrophobicContact CG-CG 3.83Å; P78-T96 HydrophobicContact CB-CG2 3.98Å; P78-L294 HydrophobicContact CB-CD1 3.65Å; P78-L294 HydrophobicContact CB-CD2 4.03Å; P78-L294 HydrophobicContact CB-CG 4.44Å
79V96.1Very high96.5Very high0 Ų057.5 Ų57.50%026%0.256CS..SBendtrans-124.3136.7179.6179.70000108.8L48 Q77 Y81 L83 L84 L94 E298 V301L48-V79 HydrophobicContact CD2-CG2 4.03Å; Q77-V79 VanDerWaalsContact C-N 3.26Å; Q77-V79 WeakPolarHBondContact CG-O 3.24Å; Q77-V79 PolarHBondContact O-N 3.5Å; V79-Y81 PolarHBondContact O-N 3.24Å; V79-L83 HydrophobicContact CG1-CB 4.14Å; V79-L83 HydrophobicContact CG1-CD1 4.16Å; V79-L84 HydrophobicContact CB-CD1 4.34Å; V79-L84 HydrophobicContact CB-CD2 4Å; V79-L84 HydrophobicContact CB-CG 4.11Å; V79-L84 HydrophobicContact CG1-CD2 3.91Å; V79-L84 HydrophobicContact CG1-CG 3.98Å; V79-L94 HydrophobicContact CB-CD2 4.42Å; V79-L94 HydrophobicContact CG2-CD2 4.08Å; V79-E298 WeakPolarHBondContact CA-OE1 3.31Å; V79-V301 HydrophobicContact CG1-CG1 3.97Å
80R93.9Very high96.3Very high74 Ų7456.5 Ų56.528%0.27925%0.251SS..  trans-48.2134.7172.8-79176.353.6165-5.7113.1D82 L83 L84 E298 E314R80-D82 WeakPolarHBondContact CB-OD1 3.4Å; R80-D82 IonicContact CZ-OD1 3.81Å; R80-D82 IonicContact CZ-OD2 3.36Å; R80-D82 IonicContact NE-OD1 3.23Å; R80-D82 PolarHBondContact NE-OD1 2.79Å; R80-D82 VanDerWaalsContact NE-OD1 3.14Å; R80-D82 IonicContact NE-OD2 2.66Å; R80-D82 IonicContact NH2-OD1 2.91Å; R80-D82 PolarHBondContact NH2-OD1 3.45Å; R80-D82 IonicContact NH2-OD2 2.71Å; R80-D82 PolarHBondContact NH2-OD2 3.39Å; R80-D82 PolarHBondContact O-N 2.99Å; R80-L83 HydrophobicContact CB-CD1 4.07Å; R80-L83 HydrophobicContact CB-CG 4.11Å; R80-L83 WeakPolarHBondContact O-CB 3.36Å; R80-L83 PolarHBondContact O-N 2.71Å; R80-L84 PolarHBondContact O-N 2.82Å; R80-E298 PolarHBondContact N-OE1 3.01Å; R80-E314 PolarHBondContact NH1-O 3.01Å
81Y94.5Very high96.1Very high96 Ų9655.8 Ų55.838%0.37626%0.256SS..Hα-helixtrans-62.1-36.6-173.1-179.3-98.4000114.2V79 L83 L84 R85 H90V79-Y81 PolarHBondContact O-N 3.24Å; Y81-L83 VanDerWaalsContact C-N 3.33Å; Y81-L83 PolarHBondContact O-N 3.29Å; Y81-L84 PolarHBondContact O-N 2.8Å; Y81-R85 HydrophobicContact CD1-CG 4.35Å; Y81-R85 HydrophobicContact CE1-CG 3.87Å; Y81-R85 PolarHBondContact O-N 3.25Å; Y81-R85 PolarHBondContact OH-NE 2.99Å; Y81-R85 PolarHBondContact OH-NH2 2.82Å; Y81-H90 HydrophobicContact CD2-CB 4.28Å; Y81-H90 HydrophobicContact CE2-CB 3.77Å
82D94.9Very high95.9Very high59 Ų5961.1 Ų61.132%0.31628%0.279SS..Hα-helixtrans-64.8-36.3177.959.3-49.4000112.5R80 R85 R86R80-D82 WeakPolarHBondContact CB-OD1 3.4Å; R80-D82 IonicContact CZ-OD1 3.81Å; R80-D82 IonicContact CZ-OD2 3.36Å; R80-D82 IonicContact NE-OD1 3.23Å; R80-D82 PolarHBondContact NE-OD1 2.79Å; R80-D82 VanDerWaalsContact NE-OD1 3.14Å; R80-D82 IonicContact NE-OD2 2.66Å; R80-D82 IonicContact NH2-OD1 2.91Å; R80-D82 PolarHBondContact NH2-OD1 3.45Å; R80-D82 IonicContact NH2-OD2 2.71Å; R80-D82 PolarHBondContact NH2-OD2 3.39Å; R80-D82 PolarHBondContact O-N 2.99Å; D82-R85 PolarHBondContact O-N 2.98Å; D82-R86 WeakPolarHBondContact O-CG 3.35Å; D82-R86 PolarHBondContact O-N 3.47Å
83L95.6Very high95.6Very high1 Ų163.9 Ų63.91%0.00531%0.307CS..Hα-helixtrans-66.3-44.7173.9-55.6178.6000110.7V79 R80 Y81 R85 R86 M87 V301 Y302 V305 T306V79-L83 HydrophobicContact CG1-CB 4.14Å; V79-L83 HydrophobicContact CG1-CD1 4.16Å; R80-L83 HydrophobicContact CB-CD1 4.07Å; R80-L83 HydrophobicContact CB-CG 4.11Å; R80-L83 WeakPolarHBondContact O-CB 3.36Å; R80-L83 PolarHBondContact O-N 2.71Å; Y81-L83 VanDerWaalsContact C-N 3.33Å; Y81-L83 PolarHBondContact O-N 3.29Å; L83-R85 VanDerWaalsContact C-N 3.32Å; L83-R85 PolarHBondContact O-N 3.36Å; L83-R86 PolarHBondContact O-N 3.47Å; L83-M87 WeakPolarHBondContact O-CE 3.36Å; L83-M87 PolarHBondContact O-N 2.91Å; L83-V301 HydrophobicContact CB-CG1 4.42Å; L83-V301 HydrophobicContact CD1-CG1 4.39Å; L83-Y302 HydrophobicContact CD1-CD2 4Å; L83-Y302 HydrophobicContact CD2-CD2 3.88Å; L83-Y302 HydrophobicContact CD2-CE2 4.48Å; L83-Y302 HydrophobicContact CG-CD2 4.5Å; L83-V305 HydrophobicContact CD2-CB 4.12Å; L83-V305 HydrophobicContact CD2-CG1 3.93Å; L83-T306 HydrophobicContact CD2-CG2 4.41Å
84L96.4Very high95.6Very high10 Ų1061.7 Ų61.75%0.05229%0.293CS..Hα-helixtrans-61.8-39.2177-65.8178.5000111.8L48 V79 R80 Y81 M87 D88 M89 H90 L94L48-L84 HydrophobicContact CD1-CD2 4.49Å; L48-L84 HydrophobicContact CD2-CD2 4.13Å; V79-L84 HydrophobicContact CB-CD1 4.34Å; V79-L84 HydrophobicContact CB-CD2 4Å; V79-L84 HydrophobicContact CB-CG 4.11Å; V79-L84 HydrophobicContact CG1-CD2 3.91Å; V79-L84 HydrophobicContact CG1-CG 3.98Å; R80-L84 PolarHBondContact O-N 2.82Å; Y81-L84 PolarHBondContact O-N 2.8Å; L84-M87 HydrophobicContact CD2-CE 4.06Å; L84-M87 CarbonylContact O-C 3.48Å; L84-M87 PolarHBondContact O-N 3.43Å; L84-D88 PolarHBondContact O-N 3.44Å; L84-M89 HydrophobicContact CB-CB 4.37Å; L84-M89 HydrophobicContact CD2-CB 3.98Å; L84-M89 PolarHBondContact O-N 3.03Å; L84-H90 HydrophobicContact CB-CB 4.15Å; L84-H90 PolarHBondContact O-N 3.42Å; L84-L94 HydrophobicContact CD1-CD2 4.48Å; L84-L94 HydrophobicContact CD2-CD2 3.93Å
85R96.2Very high95.6Very high150 Ų15063.4 Ų63.457%0.56631%0.305SS*.Hα-helixtrans-60.5-45175.2-85.5-155.5-176.2177.410.7112.6Y81 D82 L83 M87 D88 H90Y81-R85 HydrophobicContact CD1-CG 4.35Å; Y81-R85 HydrophobicContact CE1-CG 3.87Å; Y81-R85 PolarHBondContact O-N 3.25Å; Y81-R85 PolarHBondContact OH-NE 2.99Å; Y81-R85 PolarHBondContact OH-NH2 2.82Å; D82-R85 PolarHBondContact O-N 2.98Å; L83-R85 VanDerWaalsContact C-N 3.32Å; L83-R85 PolarHBondContact O-N 3.36Å; R85-M87 PolarHBondContact O-N 3.49Å; R85-D88 PolarHBondContact O-N 3.33Å; R85-H90 HydrophobicContact CB-CB 4.36Å; R85-H90 HydrophobicContact CG-CB 3.6Å
86R95.6Very high95.6Very high173 Ų17363.4 Ų63.465%0.65331%0.305SS*.Hα-helixtrans-64.6-19179.9-71.4177.9-177.8-168.75.9113.6D82 L83 V305D82-R86 WeakPolarHBondContact O-CG 3.35Å; D82-R86 PolarHBondContact O-N 3.47Å; L83-R86 PolarHBondContact O-N 3.47Å; R86-V305 HydrophobicContact CB-CG1 3.78Å; R86-V305 HydrophobicContact CG-CG1 4.2Å
87M95.4Very high95.6Very high43 Ų4361.6 Ų61.621%0.21230%0.297CS..THydrogen-bonded Turntrans-104.56.6176.3-59.5-176.9-66.100113.4T44 L48 L83 L84 R85 M89 V301 V305T44-M87 HydrophobicContact CG2-CE 4.45Å; T44-M87 HydrophobicContact CG2-SD 3.41Å; T44-M87 WeakPolarHBondContact CG2-SD 3.23Å; L48-M87 HydrophobicContact CD1-CE 4.14Å; L48-M87 HydrophobicContact CD2-CE 4.37Å; L83-M87 WeakPolarHBondContact O-CE 3.36Å; L83-M87 PolarHBondContact O-N 2.91Å; L84-M87 HydrophobicContact CD2-CE 4.06Å; L84-M87 CarbonylContact O-C 3.48Å; L84-M87 PolarHBondContact O-N 3.43Å; R85-M87 PolarHBondContact O-N 3.49Å; M87-M89 VanDerWaalsContact C-N 3.31Å; M87-M89 HydrophobicContact CB-CG 4.25Å; M87-M89 PolarHBondContact O-N 3.24Å; M87-V301 HydrophobicContact CE-CG1 3.43Å; M87-V301 VanDerWaalsContact CE-CG1 3.43Å; M87-V301 HydrophobicContact SD-CG1 4.03Å; M87-V305 HydrophobicContact CE-CG2 4.31Å; M87-V305 HydrophobicContact CG-CG2 3.65Å; M87-V305 HydrophobicContact SD-CG2 3.64Å
88D95.3Very high95.7Very high107 Ų10756.7 Ų56.757%0.57227%0.274SS*.THydrogen-bonded Turntrans57.637.5-174.9-161.235.1000114.5L84 R85L84-D88 PolarHBondContact O-N 3.44Å; R85-D88 PolarHBondContact O-N 3.33Å
89M95.6Very high95.9Very high58 Ų5856.7 Ų56.729%0.28627%0.274SS..  trans-117.30.9-176.8-71.3-62.2-6200114.2L48 L84 M87 D91 K92L48-M89 HydrophobicContact CD1-CB 4.28Å; L48-M89 HydrophobicContact CD1-CE 4.1Å; L48-M89 HydrophobicContact CD1-CG 3.8Å; L84-M89 HydrophobicContact CB-CB 4.37Å; L84-M89 HydrophobicContact CD2-CB 3.98Å; L84-M89 PolarHBondContact O-N 3.03Å; M87-M89 VanDerWaalsContact C-N 3.31Å; M87-M89 HydrophobicContact CB-CG 4.25Å; M87-M89 PolarHBondContact O-N 3.24Å; M89-D91 VanDerWaalsContact C-N 3.3Å; M89-D91 PolarHBondContact O-N 3.28Å; M89-K92 HydrophobicContact CE-CB 3.92Å; M89-K92 HydrophobicContact CE-CG 3.83Å; M89-K92 PolarHBondContact O-N 3.28Å; M89-K92 HydrophobicContact SD-CG 3.86Å
90H93.4Very high96Very high67 Ų6756.7 Ų56.731%0.3127%0.274SS..THydrogen-bonded Turntrans-68.2-23.1-17166.7-76.8000115.2Y81 L84 R85Y81-H90 HydrophobicContact CD2-CB 4.28Å; Y81-H90 HydrophobicContact CE2-CB 3.77Å; L84-H90 HydrophobicContact CB-CB 4.15Å; L84-H90 PolarHBondContact O-N 3.42Å; R85-H90 HydrophobicContact CB-CB 4.36Å; R85-H90 HydrophobicContact CG-CB 3.6Å
91D93.3Very high96.2Very high94 Ų9453.1 Ų53.150%0.50326%0.26SS..THydrogen-bonded Turntrans-102.8-1.9-178.767.8-28.3000112.6M89 G93M89-D91 VanDerWaalsContact C-N 3.3Å; M89-D91 PolarHBondContact O-N 3.28Å; D91-G93 PolarHBondContact O-N 3.38Å
92K94.3Very high96.4Very high115 Ų11551.2 Ų51.250%0.525%0.253SS..SBendtrans-81.75.2-174.7-53-54.2176-140.70114.3M89 L94M89-K92 HydrophobicContact CE-CB 3.92Å; M89-K92 HydrophobicContact CE-CG 3.83Å; M89-K92 PolarHBondContact O-N 3.28Å; M89-K92 HydrophobicContact SD-CG 3.86Å; K92-L94 PolarHBondContact O-N 3.4Å
93G93.1Very high96.5Very high59 Ų5950 Ų5061%0.60825%0.248SC*.  trans64.434.7176.200000114.1D91 T95D91-G93 PolarHBondContact O-N 3.38Å; G93-T95 PolarHBondContact O-N 2.91Å; G93-T95 VanDerWaalsContact O-N 3.15Å
94L96.8Very high96.6Very high26 Ų2653.8 Ų53.814%0.13628%0.275CS..  trans-64.7115.8179.1-178.569.7000110.5L48 P78 V79 L84 K92L48-L94 HydrophobicContact CB-CD2 4.41Å; L48-L94 HydrophobicContact CD2-CD2 3.79Å; L48-L94 WeakPolarHBondContact O-CD1 3.22Å; P78-L94 WeakPolarHBondContact CD-O 3.41Å; P78-L94 HydrophobicContact CG-CD2 4.1Å; P78-L94 HydrophobicContact CG-CG 3.83Å; V79-L94 HydrophobicContact CB-CD2 4.42Å; V79-L94 HydrophobicContact CG2-CD2 4.08Å; L84-L94 HydrophobicContact CD1-CD2 4.48Å; L84-L94 HydrophobicContact CD2-CD2 3.93Å; K92-L94 PolarHBondContact O-N 3.4Å
95T97.9Very high96.7Very high48 Ų4856.5 Ų56.529%0.29428%0.284SS..  trans-130.1168.9171.753.50000108.2S52 I76 G93S52-T95 VanDerWaalsContact CA-O 3.32Å; S52-T95 WeakPolarHBondContact CA-O 3.46Å; I76-T95 WeakPolarHBondContact O-CG2 3.5Å; G93-T95 PolarHBondContact O-N 2.91Å; G93-T95 VanDerWaalsContact O-N 3.15Å
96T98.6Very high96.8Very high1 Ų149.4 Ų49.41%0.00626%0.258CS..  trans-71.5171.2162.766.10000110.3A51 I54 L56 A75 P78 A98 L120 L294A51-T96 WeakPolarHBondContact O-CA 3.23Å; I54-T96 HydrophobicContact CB-CG2 4.3Å; I54-T96 HydrophobicContact CG2-CG2 4.4Å; I54-T96 WeakPolarHBondContact O-CB 3.4Å; L56-T96 HydrophobicContact CB-CG2 4.34Å; A75-T96 WeakPolarHBondContact CA-OG1 3.27Å; A75-T96 HydrophobicContact CB-CG2 4.48Å; A75-T96 VanDerWaalsContact CB-OG1 3.24Å; A75-T96 WeakPolarHBondContact CB-OG1 3.49Å; A75-T96 PolarHBondContact O-N 2.9Å; A75-T96 PolarHBondContact O-OG1 3.16Å; P78-T96 HydrophobicContact CB-CG2 3.98Å; T96-A98 PolarHBondContact OG1-O 3.17Å; T96-L120 WeakPolarHBondContact O-CD2 3.48Å; T96-L294 HydrophobicContact CG2-CD2 3.96Å
97A98.5Very high97Very high9 Ų942.6 Ų42.67%0.07424%0.239CC..SBendtrans-73.7-37.6-178.800000113.1S52 I54 P121 P283S52-A97 WeakPolarHBondContact O-CB 3.4Å; S52-A97 PolarHBondContact O-N 3.04Å; I54-A97 WeakPolarHBondContact O-CB 3.31Å; I54-A97 PolarHBondContact O-N 2.89Å; A97-P121 WeakPolarHBondContact O-CD 3.19Å; A97-P283 HydrophobicContact CB-CB 3.91Å
98A98.8Very high97.1Very high0 Ų041.3 Ų41.30%023%0.233CC..EExtended strand (participates in β ladder)trans-161.4172.9178.300000110.2I54 D55 L56 T96 P121I54-A98 PolarHBondContact O-N 3.03Å; D55-A98 WeakPolarHBondContact OD1-CB 3.07Å; L56-A98 PolarHBondContact N-O 3.26Å; T96-A98 PolarHBondContact OG1-O 3.17Å; A98-P121 WeakPolarHBondContact CA-O 3.21Å; A98-P121 HydrophobicContact CB-CB 4.01Å; A98-P121 WeakPolarHBondContact CB-O 3.33Å
99V98.8Very high97.3Very high0 Ų036.2 Ų36.20%021%0.205CC..EExtended strand (participates in β ladder)trans-104.3149.3156.9-66.20000109.9L56 L71 A75 A109 L113 P121 V122 A123L56-V99 CarbonylContact O-C 3.39Å; L56-V99 VanDerWaalsContact O-CA 3.29Å; L56-V99 WeakPolarHBondContact O-CA 3.41Å; L71-V99 HydrophobicContact CD2-CB 4.03Å; L71-V99 HydrophobicContact CD2-CG1 4.17Å; L71-V99 HydrophobicContact CG-CG1 4.33Å; A75-V99 HydrophobicContact CB-CG1 3.41Å; A75-V99 VanDerWaalsContact CB-CG1 3.41Å; V99-A109 HydrophobicContact CG2-CB 4.29Å; V99-L113 HydrophobicContact CG2-CD1 4.1Å; V99-P121 PolarHBondContact N-O 3.45Å; V99-P121 VanDerWaalsContact N-O 3.11Å; V99-V122 HydrophobicContact CG2-CB 4.38Å; V99-V122 HydrophobicContact CG2-CG1 4.37Å; V99-V122 HydrophobicContact CG2-CG2 3.98Å; V99-A123 WeakPolarHBondContact O-CA 3.48Å; V99-A123 WeakPolarHBondContact O-CB 3.35Å; V99-A123 PolarHBondContact O-N 2.86Å
100C98.8Very high97.5Very high0 Ų034.5 Ų34.50%020%0.198CC..EExtended strand (participates in β ladder)trans-128.2124.5177.6-174.20000110.7L56 T57 T58 A123L56-C100 PolarHBondContact O-N 3.45Å; T57-C100 WeakPolarHBondContact CA-O 3.17Å; T57-C100 HydrophobicContact CG2-CB 3.97Å; T57-C100 WeakPolarHBondContact OG1-CB 3.47Å; T58-C100 PolarHBondContact N-O 3.44Å; C100-A123 WeakPolarHBondContact CA-O 3.38Å; C100-A123 HydrophobicContact CB-CB 4.15Å
101V98.8Very high97.7Very high0 Ų038.1 Ų38.10%021%0.209CC..EExtended strand (participates in β ladder)trans-136.3171.9-174.3-61.90000112.1T58 L59 V68 L71 R105 V106 A109 V122 A123 S124 V125T58-V101 HydrophobicContact CG2-CG1 4.17Å; T58-V101 WeakPolarHBondContact O-CA 3.46Å; L59-V101 VanDerWaalsContact CD2-C 3.47Å; V68-V101 HydrophobicContact CG1-CG1 4.22Å; V68-V101 HydrophobicContact CG2-CG1 4.37Å; L71-V101 HydrophobicContact CD2-CG1 4.02Å; V101-R105 HydrophobicContact CB-CB 3.98Å; V101-R105 HydrophobicContact CG2-CB 4.14Å; V101-V106 HydrophobicContact CG2-CG2 4.13Å; V101-A109 HydrophobicContact CG2-CB 4.41Å; V101-V122 HydrophobicContact CG2-CG1 4.3Å; V101-A123 PolarHBondContact N-O 2.96Å; V101-S124 WeakPolarHBondContact O-CA 3.37Å; V101-V125 PolarHBondContact O-N 3.24Å
102Y98.4Very high98Very high56 Ų5634.5 Ų34.522%0.2219%0.191CC..  trans-70.3155.1166.8-82.4-65.5000111.8L59 S104 R105 V106 V125 F129L59-Y102 VanDerWaalsContact CA-CE2 3.44Å; L59-Y102 HydrophobicContact CB-CD2 4.35Å; L59-Y102 HydrophobicContact CB-CE2 3.82Å; L59-Y102 HydrophobicContact CD2-CD1 4.01Å; L59-Y102 HydrophobicContact CD2-CD2 3.87Å; L59-Y102 HydrophobicContact CD2-CE1 4.18Å; L59-Y102 HydrophobicContact CD2-CE2 4.06Å; L59-Y102 HydrophobicContact CD2-CG 3.85Å; Y102-S104 PolarHBondContact O-N 2.8Å; Y102-S104 VanDerWaalsContact O-N 3.15Å; Y102-R105 PolarHBondContact O-N 3.18Å; Y102-V106 PolarHBondContact O-N 3.03Å; Y102-V125 HydrophobicContact CD1-CG2 3.68Å; Y102-V125 HydrophobicContact CE1-CG2 3.99Å; Y102-F129 AromaticContact CE1-CD1 3.74Å; Y102-F129 HydrophobicContact CE1-CD1 3.74Å; Y102-F129 HydrophobicContact CE1-CE1 4.1Å
103P97.9Very high98.2Very high32 Ų3229.2 Ų29.221%0.20817%0.168CC..G310 helixtrans-50.2-42.2178.4-29.935.4000113.8R105 V106 S124 V125P103-R105 PolarHBondContact O-N 3.19Å; P103-V106 WeakPolarHBondContact O-CG2 3.42Å; P103-V106 PolarHBondContact O-N 2.62Å; P103-S124 WeakPolarHBondContact CA-OG 3.26Å; P103-V125 WeakPolarHBondContact CD-O 3.3Å; P103-V125 WeakPolarHBondContact CG-O 3.49Å
104S97.2Very high98.4Very high82 Ų8233.5 Ų33.557%0.57317%0.17SC*.G310 helixtrans-64.2-12.3179.758.20000114.8Y102Y102-S104 PolarHBondContact O-N 2.8Å; Y102-S104 VanDerWaalsContact O-N 3.15Å
105R98.6Very high98.4Very high67 Ų6736.2 Ų36.225%0.25320%0.196SC..G310 helixtrans-112.3-1.1-178.1-64.1-64.6161.4-112.5-5.6113.3D63 V68 V101 Y102 P103 A107 D108 A109D63-R105 HydrophobicContact CB-CG 4.34Å; D63-R105 PolarHBondContact O-NE 2.89Å; D63-R105 PolarHBondContact O-NH2 2.73Å; V68-R105 HydrophobicContact CG2-CB 3.94Å; V68-R105 HydrophobicContact CG2-CG 4.05Å; V101-R105 HydrophobicContact CB-CB 3.98Å; V101-R105 HydrophobicContact CG2-CB 4.14Å; Y102-R105 PolarHBondContact O-N 3.18Å; P103-R105 PolarHBondContact O-N 3.19Å; R105-A107 PolarHBondContact O-N 3.25Å; R105-D108 WeakPolarHBondContact CD-OD2 3.37Å; R105-D108 IonicContact CZ-OD2 3.61Å; R105-D108 IonicContact NE-OD2 2.75Å; R105-D108 IonicContact NH1-OD2 3.87Å; R105-D108 PolarHBondContact NH1-OD2 3.41Å; R105-D108 WeakPolarHBondContact O-CB 3.43Å; R105-D108 PolarHBondContact O-N 2.9Å; R105-A109 PolarHBondContact O-N 2.94Å
106V98.8Very high98.4Very high0 Ų036.3 Ų36.30%020%0.202CC..Hα-helixtrans-57.8-50.4179.3172.40000110.9V101 Y102 P103 D108 A109 V110 V122 A146 D149 A151V101-V106 HydrophobicContact CG2-CG2 4.13Å; Y102-V106 PolarHBondContact O-N 3.03Å; P103-V106 WeakPolarHBondContact O-CG2 3.42Å; P103-V106 PolarHBondContact O-N 2.62Å; V106-D108 PolarHBondContact O-N 3.15Å; V106-A109 PolarHBondContact O-N 3.44Å; V106-A109 VanDerWaalsContact O-N 3.16Å; V106-V110 HydrophobicContact CG1-CG2 4.2Å; V106-V110 WeakPolarHBondContact O-CG2 3.37Å; V106-V110 PolarHBondContact O-N 3.17Å; V106-V122 HydrophobicContact CG1-CG1 4.23Å; V106-A146 HydrophobicContact CG2-CB 4.43Å; V106-D149 HydrophobicContact CB-CB 4.1Å; V106-D149 HydrophobicContact CG1-CB 3.88Å; V106-A151 HydrophobicContact CG1-CB 3.81Å; V106-A151 HydrophobicContact CG2-CB 4.25Å
107A98.6Very high98.3Very high31 Ų3143.5 Ų43.526%0.25624%0.24SC..Hα-helixtrans-61.1-34.3-179.900000112.3R105 R111R105-A107 PolarHBondContact O-N 3.25Å; A107-R111 WeakPolarHBondContact O-CB 3.43Å; A107-R111 VanDerWaalsContact O-CG 3.3Å; A107-R111 WeakPolarHBondContact O-CG 3.39Å; A107-R111 PolarHBondContact O-N 3.32Å; A107-R111 PolarHBondContact O-NH1 2.79Å
108D98.6Very high98.2Very high16 Ų1644.3 Ų44.39%0.08625%0.245CC..Hα-helixtrans-66.7-44.1176.9-59.3-31.5000111.3P65 V68 R105 V106 R111 S112P65-D108 HydrophobicContact CB-CB 4.44Å; V68-D108 HydrophobicContact CG1-CB 4.15Å; R105-D108 WeakPolarHBondContact CD-OD2 3.37Å; R105-D108 IonicContact CZ-OD2 3.61Å; R105-D108 IonicContact NE-OD2 2.75Å; R105-D108 IonicContact NH1-OD2 3.87Å; R105-D108 PolarHBondContact NH1-OD2 3.41Å; R105-D108 WeakPolarHBondContact O-CB 3.43Å; R105-D108 PolarHBondContact O-N 2.9Å; V106-D108 PolarHBondContact O-N 3.15Å; D108-R111 IonicContact OD1-CZ 2.74Å; D108-R111 IonicContact OD1-NH1 3.82Å; D108-R111 IonicContact OD1-NH2 3.94Å; D108-R111 PolarHBondContact OD1-NH2 2.99Å; D108-S112 WeakPolarHBondContact O-CB 3.46Å; D108-S112 PolarHBondContact O-N 3.06Å; D108-S112 PolarHBondContact O-OG 3.14Å
109A98.8Very high98Very high0 Ų050.5 Ų50.50%029%0.287CS..Hα-helixtrans-65-47.1176.500000111.7V68 V99 V101 R105 V106 R111 S112 L113 V122V68-A109 HydrophobicContact CG1-CB 3.72Å; V99-A109 HydrophobicContact CG2-CB 4.29Å; V101-A109 HydrophobicContact CG2-CB 4.41Å; R105-A109 PolarHBondContact O-N 2.94Å; V106-A109 PolarHBondContact O-N 3.44Å; V106-A109 VanDerWaalsContact O-N 3.16Å; A109-R111 PolarHBondContact O-N 2.86Å; A109-S112 PolarHBondContact O-N 3.26Å; A109-L113 WeakPolarHBondContact O-CG 3.2Å; A109-L113 PolarHBondContact O-N 2.94Å; A109-V122 HydrophobicContact CB-CG1 3.95Å; A109-V122 HydrophobicContact CB-CG2 4.07Å
110V98.8Very high97.9Very high21 Ų2151.4 Ų51.413%0.12729%0.292CS..Hα-helixtrans-59.7-45.2178.3170.90000111V106 K114 V122V106-V110 HydrophobicContact CG1-CG2 4.2Å; V106-V110 WeakPolarHBondContact O-CG2 3.37Å; V106-V110 PolarHBondContact O-N 3.17Å; V110-K114 HydrophobicContact CG1-CD 3.96Å; V110-K114 HydrophobicContact CG1-CG 4.47Å; V110-K114 WeakPolarHBondContact O-CB 3.44Å; V110-K114 VanDerWaalsContact O-CG 3.28Å; V110-K114 WeakPolarHBondContact O-CG 3.39Å; V110-K114 PolarHBondContact O-N 3.06Å; V110-V122 HydrophobicContact CG2-CB 4.24Å; V110-V122 HydrophobicContact CG2-CG1 4.47Å; V110-V122 HydrophobicContact CG2-CG2 3.85Å
111R98.6Very high97.9Very high144 Ų14453 Ų5354%0.54330%0.302SS..Hα-helixtrans-62.8-42.4176.2-74-167.4-49.8-83.73.2111.8A107 D108 A109 K114 A115A107-R111 WeakPolarHBondContact O-CB 3.43Å; A107-R111 VanDerWaalsContact O-CG 3.3Å; A107-R111 WeakPolarHBondContact O-CG 3.39Å; A107-R111 PolarHBondContact O-N 3.32Å; A107-R111 PolarHBondContact O-NH1 2.79Å; D108-R111 IonicContact OD1-CZ 2.74Å; D108-R111 IonicContact OD1-NH1 3.82Å; D108-R111 IonicContact OD1-NH2 3.94Å; D108-R111 PolarHBondContact OD1-NH2 2.99Å; A109-R111 PolarHBondContact O-N 2.86Å; R111-K114 PolarHBondContact O-N 3.01Å; R111-A115 WeakPolarHBondContact O-CB 3.3Å; R111-A115 PolarHBondContact O-N 2.81Å
112S98.6Very high97.9Very high17 Ų1753.2 Ų53.212%0.11930%0.303CS..Hα-helixtrans-63-46.1179.4-63.80000112.3H69 D108 A109 A115 A116H69-S112 PolarHBondContact ND1-OG 3.15Å; D108-S112 WeakPolarHBondContact O-CB 3.46Å; D108-S112 PolarHBondContact O-N 3.06Å; D108-S112 PolarHBondContact O-OG 3.14Å; A109-S112 PolarHBondContact O-N 3.26Å; S112-A115 PolarHBondContact O-N 3.1Å; S112-A116 PolarHBondContact O-N 3.21Å
113L98.5Very high97.9Very high4 Ų450.5 Ų50.52%0.02129%0.293CS..Hα-helixtrans-68.1-40.4179.3-67.3173.3000112.1C72 I76 V99 A109 A116 N117 S118 L120 V122C72-L113 HydrophobicContact CB-CD2 3.76Å; C72-L113 HydrophobicContact CB-CG 4.1Å; I76-L113 HydrophobicContact CD1-CD2 3.78Å; I76-L113 HydrophobicContact CG1-CD2 3.94Å; V99-L113 HydrophobicContact CG2-CD1 4.1Å; A109-L113 WeakPolarHBondContact O-CG 3.2Å; A109-L113 PolarHBondContact O-N 2.94Å; L113-A116 CarbonylContact O-C 3.1Å; L113-A116 PolarHBondContact O-N 2.8Å; L113-N117 PolarHBondContact O-N 2.88Å; L113-S118 PolarHBondContact O-N 3.37Å; L113-L120 HydrophobicContact CD1-CB 4.07Å; L113-L120 WeakPolarHBondContact CD1-O 3.43Å; L113-L120 HydrophobicContact CD2-CB 4.13Å; L113-L120 HydrophobicContact CD2-CD1 4.35Å; L113-V122 HydrophobicContact CD1-CG2 3.5Å
114K98Very high98Very high149 Ų14949 Ų4965%0.64828%0.283SS*.Hα-helixtrans-60.9-45.2174-76.6178.6178.9179.70112V110 R111 A116 N117V110-K114 HydrophobicContact CG1-CD 3.96Å; V110-K114 HydrophobicContact CG1-CG 4.47Å; V110-K114 WeakPolarHBondContact O-CB 3.44Å; V110-K114 VanDerWaalsContact O-CG 3.28Å; V110-K114 WeakPolarHBondContact O-CG 3.39Å; V110-K114 PolarHBondContact O-N 3.06Å; R111-K114 PolarHBondContact O-N 3.01Å; K114-A116 PolarHBondContact O-N 3.29Å; K114-N117 PolarHBondContact O-N 3.28Å
115A97.9Very high98Very high83 Ų8345.1 Ų45.169%0.68626%0.256SS*.Hα-helixtrans-61.1-28.9177.300000112.6R111 S112 N117R111-A115 WeakPolarHBondContact O-CB 3.3Å; R111-A115 PolarHBondContact O-N 2.81Å; S112-A115 PolarHBondContact O-N 3.1Å; A115-N117 VanDerWaalsContact C-N 3.34Å
116A96.9Very high98Very high50 Ų5042 Ų4241%0.41324%0.244SC..THydrogen-bonded Turntrans-89.38.417500000114.1I76 S112 L113 K114 S118I76-A116 HydrophobicContact CD1-CB 3.48Å; I76-A116 VanDerWaalsContact CD1-CB 3.48Å; S112-A116 PolarHBondContact O-N 3.21Å; L113-A116 CarbonylContact O-C 3.1Å; L113-A116 PolarHBondContact O-N 2.8Å; K114-A116 PolarHBondContact O-N 3.29Å; A116-S118 PolarHBondContact O-N 3.4Å
117N96.8Very high98Very high153 Ų15342 Ų4282%0.81824%0.244SC*.THydrogen-bonded Turntrans52.233.8-174.5-62.8-56.3000113.8L113 K114 A115L113-N117 PolarHBondContact O-N 2.88Å; K114-N117 PolarHBondContact O-N 3.28Å; A115-N117 VanDerWaalsContact C-N 3.34Å
118S96.8Very high97.9Very high25 Ų2541 Ų4118%0.17524%0.236CC..  trans-100.6139.8179.7179.90000111.8L113 A116 L120L113-S118 PolarHBondContact O-N 3.37Å; A116-S118 PolarHBondContact O-N 3.4Å; S118-L120 PolarHBondContact OG-N 2.87Å
119C94Very high97.9Very high131 Ų13141.4 Ų41.489%0.88524%0.238SC*.  trans-9919.6174.5-62.40000112.6
120L97.2Very high97.8Very high19 Ų1943.8 Ų43.810%0.09925%0.253CS..PPolyproline II helixtrans-59.2134.4178.1-83.9175.8000111.3A75 I76 T96 L113 S118A75-L120 HydrophobicContact CB-CD1 3.92Å; I76-L120 HydrophobicContact CB-CD1 4.49Å; I76-L120 HydrophobicContact CG1-CD1 3.79Å; T96-L120 WeakPolarHBondContact O-CD2 3.48Å; L113-L120 HydrophobicContact CD1-CB 4.07Å; L113-L120 WeakPolarHBondContact CD1-O 3.43Å; L113-L120 HydrophobicContact CD2-CB 4.13Å; L113-L120 HydrophobicContact CD2-CD1 4.35Å; S118-L120 PolarHBondContact OG-N 2.87Å
121P98.3Very high97.6Very high32 Ų3245.3 Ų45.321%0.20827%0.268CS..PPolyproline II helixtrans-60.2140174-22.832.5000112.1A97 A98 V99 T152 E153A97-P121 WeakPolarHBondContact O-CD 3.19Å; A98-P121 WeakPolarHBondContact CA-O 3.21Å; A98-P121 HydrophobicContact CB-CB 4.01Å; A98-P121 WeakPolarHBondContact CB-O 3.33Å; V99-P121 PolarHBondContact N-O 3.45Å; V99-P121 VanDerWaalsContact N-O 3.11Å; P121-T152 WeakPolarHBondContact CA-OG1 3.31Å; P121-T152 WeakPolarHBondContact CB-OG1 3.4Å; P121-E153 HydrophobicContact CB-CG 4.05Å
122V98.9Very high97.4Very high5 Ų538.4 Ų38.43%0.0324%0.242CC..EExtended strand (participates in β ladder)trans-101.4116.3166.9179.90000108V99 V101 V106 A109 V110 L113 A151 T152 E153V99-V122 HydrophobicContact CG2-CB 4.38Å; V99-V122 HydrophobicContact CG2-CG1 4.37Å; V99-V122 HydrophobicContact CG2-CG2 3.98Å; V101-V122 HydrophobicContact CG2-CG1 4.3Å; V106-V122 HydrophobicContact CG1-CG1 4.23Å; A109-V122 HydrophobicContact CB-CG1 3.95Å; A109-V122 HydrophobicContact CB-CG2 4.07Å; V110-V122 HydrophobicContact CG2-CB 4.24Å; V110-V122 HydrophobicContact CG2-CG1 4.47Å; V110-V122 HydrophobicContact CG2-CG2 3.85Å; L113-V122 HydrophobicContact CD1-CG2 3.5Å; V122-A151 WeakPolarHBondContact O-CA 3.42Å; V122-T152 PolarHBondContact N-OG1 3.1Å; V122-T152 PolarHBondContact O-N 3.35Å; V122-E153 PolarHBondContact O-N 3.5Å
123A98.9Very high97.3Very high0 Ų043 Ų430%026%0.261CS..EExtended strand (participates in β ladder)trans-93141.1169.600000110.6V99 C100 V101 E153V99-A123 WeakPolarHBondContact O-CA 3.48Å; V99-A123 WeakPolarHBondContact O-CB 3.35Å; V99-A123 PolarHBondContact O-N 2.86Å; C100-A123 WeakPolarHBondContact CA-O 3.38Å; C100-A123 HydrophobicContact CB-CB 4.15Å; V101-A123 PolarHBondContact N-O 2.96Å; A123-E153 CarbonylContact C-O 3.57Å; A123-E153 VanDerWaalsContact CA-O 3.23Å; A123-E153 WeakPolarHBondContact CA-O 3.41Å; A123-E153 HydrophobicContact CB-CB 4.02Å
124S98.8Very high97.2Very high0 Ų045.3 Ų45.30%028%0.276CS..EExtended strand (participates in β ladder)trans-120.9138.5169.1-171.70000110.6V101 P103 E153 I154 D155V101-S124 WeakPolarHBondContact O-CA 3.37Å; P103-S124 WeakPolarHBondContact CA-OG 3.26Å; S124-E153 PolarHBondContact N-O 3.12Å; S124-I154 WeakPolarHBondContact O-CA 3.33Å; S124-D155 PolarHBondContact O-N 3.41Å
125V98.8Very high97.2Very high1 Ų142.3 Ų42.31%0.00627%0.272CS..EExtended strand (participates in β ladder)trans-71.2149.2161.6-63.30000110L59 V101 Y102 P103 F129 D155L59-V125 HydrophobicContact CD1-CG1 3.71Å; L59-V125 HydrophobicContact CD1-CG2 4.5Å; L59-V125 HydrophobicContact CD2-CB 4.49Å; L59-V125 HydrophobicContact CD2-CG1 4.07Å; L59-V125 HydrophobicContact CD2-CG2 3.59Å; V101-V125 PolarHBondContact O-N 3.24Å; Y102-V125 HydrophobicContact CD1-CG2 3.68Å; Y102-V125 HydrophobicContact CE1-CG2 3.99Å; P103-V125 WeakPolarHBondContact CD-O 3.3Å; P103-V125 WeakPolarHBondContact CG-O 3.49Å; V125-F129 HydrophobicContact CB-CB 3.99Å; V125-F129 HydrophobicContact CB-CD1 4.29Å; V125-F129 HydrophobicContact CB-CD2 3.56Å; V125-F129 HydrophobicContact CB-CE2 4.06Å; V125-F129 HydrophobicContact CB-CG 3.69Å; V125-F129 HydrophobicContact CG1-CD2 3.68Å; V125-F129 HydrophobicContact CG1-CE2 3.65Å; V125-F129 HydrophobicContact CG1-CG 4.21Å; V125-F129 HydrophobicContact CG1-CZ 4.19Å; V125-F129 HydrophobicContact CG2-CB 3.99Å; V125-F129 HydrophobicContact CG2-CD1 3.86Å; V125-F129 HydrophobicContact CG2-CD2 4.06Å; V125-F129 HydrophobicContact CG2-CE1 4.35Å; V125-F129 HydrophobicContact CG2-CG 3.7Å; V125-D155 WeakPolarHBondContact CA-O 3.39Å; V125-D155 HydrophobicContact CG1-CB 4.2Å
126A98.2Very high97.2Very high1 Ų140.7 Ų40.71%0.00825%0.251CS..EExtended strand (participates in β ladder)trans-152.5-172.5179.600000111.8V143 I154 D155A126-V143 HydrophobicContact CB-CG2 3.85Å; A126-I154 HydrophobicContact CB-CG2 3.74Å; A126-D155 PolarHBondContact N-O 2.87Å
127T98.2Very high97.3Very high0 Ų044.8 Ų44.80%026%0.262CS..SBendtrans60.451.6173.973.30000113.3G132 R139 E142 V143 I156 V157 F178T127-G132 WeakPolarHBondContact O-CA 3.27Å; T127-R139 HydrophobicContact CG2-CB 4.24Å; T127-R139 VanDerWaalsContact O-CD 3.27Å; T127-R139 WeakPolarHBondContact O-CD 3.27Å; T127-E142 WeakPolarHBondContact CA-OE2 3.37Å; T127-E142 PolarHBondContact N-OE2 2.85Å; T127-V143 HydrophobicContact CG2-CG2 3.51Å; T127-I156 HydrophobicContact CG2-CB 3.79Å; T127-I156 HydrophobicContact CG2-CG2 3.66Å; T127-V157 PolarHBondContact OG1-N 3.25Å; T127-V157 PolarHBondContact OG1-O 2.91Å; T127-F178 HydrophobicContact CG2-CD1 3.59Å; T127-F178 HydrophobicContact CG2-CD2 4.26Å; T127-F178 HydrophobicContact CG2-CE1 3.54Å; T127-F178 HydrophobicContact CG2-CE2 4.19Å; T127-F178 HydrophobicContact CG2-CG 4Å; T127-F178 HydrophobicContact CG2-CZ 3.86Å
128G96.6Very high97.3Very high9 Ų940.2 Ų40.29%0.09324%0.24CC..SBendtrans74.729.4176.800000113A131 G132 T134 E142G128-A131 PolarHBondContact O-N 3.24Å; G128-G132 PolarHBondContact O-N 3.2Å; G128-T134 WeakPolarHBondContact CA-OG1 3.41Å; G128-E142 PolarHBondContact N-OE2 2.8Å
129F98.1Very high97.4Very high25 Ų2539.3 Ų39.311%0.1123%0.232CC..THydrogen-bonded Turntrans-54.2135.7179.8-178.5-80.1000111.6L59 Y102 V125 V157 I190 T221 K223L59-F129 HydrophobicContact CD1-CE1 4.09Å; L59-F129 HydrophobicContact CD1-CE2 4.35Å; L59-F129 HydrophobicContact CD1-CZ 3.69Å; Y102-F129 AromaticContact CE1-CD1 3.74Å; Y102-F129 HydrophobicContact CE1-CD1 3.74Å; Y102-F129 HydrophobicContact CE1-CE1 4.1Å; V125-F129 HydrophobicContact CB-CB 3.99Å; V125-F129 HydrophobicContact CB-CD1 4.29Å; V125-F129 HydrophobicContact CB-CD2 3.56Å; V125-F129 HydrophobicContact CB-CE2 4.06Å; V125-F129 HydrophobicContact CB-CG 3.69Å; V125-F129 HydrophobicContact CG1-CD2 3.68Å; V125-F129 HydrophobicContact CG1-CE2 3.65Å; V125-F129 HydrophobicContact CG1-CG 4.21Å; V125-F129 HydrophobicContact CG1-CZ 4.19Å; V125-F129 HydrophobicContact CG2-CB 3.99Å; V125-F129 HydrophobicContact CG2-CD1 3.86Å; V125-F129 HydrophobicContact CG2-CD2 4.06Å; V125-F129 HydrophobicContact CG2-CE1 4.35Å; V125-F129 HydrophobicContact CG2-CG 3.7Å; F129-V157 HydrophobicContact CB-CG2 4.13Å; F129-V157 HydrophobicContact CD2-CG2 3.62Å; F129-V157 HydrophobicContact CG-CG2 4.3Å; F129-I190 HydrophobicContact CD2-CD1 4.15Å; F129-I190 HydrophobicContact CE2-CD1 4.17Å; F129-T221 HydrophobicContact CD2-CG2 4.03Å; F129-T221 HydrophobicContact CE2-CG2 3.73Å; F129-T221 HydrophobicContact CZ-CG2 4.46Å; F129-T221 WeakPolarHBondContact CZ-O 3.24Å; F129-K223 HydrophobicContact CE1-CG 4.11Å; F129-K223 HydrophobicContact CZ-CG 4.07Å
130P97Very high97.7Very high50 Ų5033.8 Ų33.833%0.32519%0.194SC..THydrogen-bonded Turncis-91-11.42.434.6-34.8000114.4R160 T221 K223P130-R160 PolarHBondContact O-NH1 2.94Å; P130-R160 PolarHBondContact O-NH2 3.19Å; P130-T221 HydrophobicContact CB-CG2 4.1Å; P130-K223 HydrophobicContact CB-CB 3.93Å; P130-K223 HydrophobicContact CB-CG 3.85Å; P130-K223 HydrophobicContact CG-CB 4.18Å; P130-K223 HydrophobicContact CG-CG 4.14Å
131A95.3Very high97.7Very high53 Ų5337.4 Ų37.444%0.43821%0.21SC..THydrogen-bonded Turntrans-81.6-30.1-167.200000114.3G128 Q133 R160G128-A131 PolarHBondContact O-N 3.24Å; A131-Q133 HydrophobicContact CB-CB 4.46Å; A131-Q133 HydrophobicContact CB-CG 4.3Å; A131-Q133 PolarHBondContact O-N 2.71Å; A131-R160 PolarHBondContact O-NH1 3.5Å
132G94.8Very high97.7Very high0 Ų038.2 Ų38.20%021%0.211CC..THydrogen-bonded Turntrans67.121.6-177.200000114.4T127 G128T127-G132 WeakPolarHBondContact O-CA 3.27Å; G128-G132 PolarHBondContact O-N 3.2Å
133Q95Very high97.7Very high113 Ų11338 Ų3853%0.52821%0.21SC..  trans-1076.2-173-65.9-61.1-50.600113.9A131 N159A131-Q133 HydrophobicContact CB-CB 4.46Å; A131-Q133 HydrophobicContact CB-CG 4.3Å; A131-Q133 PolarHBondContact O-N 2.71Å; Q133-N159 PolarHBondContact NE2-OD1 3.12Å
134T97Very high97.7Very high53 Ų5344.3 Ų44.333%0.32523%0.234SC..SBendtrans-77.6157173.351.90000111.1G128 R139G128-T134 WeakPolarHBondContact CA-OG1 3.41Å; T134-R139 WeakPolarHBondContact O-CD 3.34Å; T134-R139 PolarHBondContact O-NE 3.2Å; T134-R139 WeakPolarHBondContact OG1-CG 3.49Å
135P97.8Very high97.7Very high86 Ų8648.5 Ų48.556%0.55825%0.254SS*.  trans-52.5144.7177.8-2735.7000112.6E137 T138 R139P135-E137 VanDerWaalsContact C-N 3.25Å; P135-E137 PolarHBondContact O-N 3.33Å; P135-T138 WeakPolarHBondContact O-CB 3.41Å; P135-T138 PolarHBondContact O-N 3.17Å; P135-T138 VanDerWaalsContact O-N 3.11Å; P135-R139 PolarHBondContact O-N 2.98Å
136L98.1Very high97.7Very high48 Ų4848.5 Ų48.525%0.25125%0.254SS..Hα-helixtrans-56-40-176.8178.760.6000112.4T138 R139 L140 E174 F178L136-T138 PolarHBondContact O-N 3.5Å; L136-R139 PolarHBondContact O-N 3.45Å; L136-L140 HydrophobicContact CD1-CD1 4.25Å; L136-L140 HydrophobicContact CD1-CG 4.19Å; L136-L140 HydrophobicContact CG-CD1 3.98Å; L136-L140 HydrophobicContact CG-CG 4.41Å; L136-L140 WeakPolarHBondContact O-CG 3.49Å; L136-L140 PolarHBondContact O-N 2.78Å; L136-E174 HydrophobicContact CD1-CG 4.28Å; L136-E174 HydrophobicContact CD2-CG 4.42Å; L136-F178 HydrophobicContact CD1-CE1 3.69Å; L136-F178 HydrophobicContact CD1-CZ 3.58Å
137E98.3Very high97.7Very high137 Ų13750.6 Ų50.664%0.6427%0.267SS*.Hα-helixtrans-58.7-47.2177.2-175.6177.2-174.200112.1P135 R139 L140 Q141P135-E137 VanDerWaalsContact C-N 3.25Å; P135-E137 PolarHBondContact O-N 3.33Å; E137-R139 PolarHBondContact O-N 2.57Å; E137-L140 PolarHBondContact O-N 3.11Å; E137-Q141 WeakPolarHBondContact O-CG 3.33Å; E137-Q141 PolarHBondContact O-N 3.36Å
138T98.3Very high97.7Very high57 Ų5759.1 Ų59.135%0.3530%0.299SS..Hα-helixtrans-61.2-45175.8-49.80000110.9P135 L136 L140 Q141 E142P135-T138 WeakPolarHBondContact O-CB 3.41Å; P135-T138 PolarHBondContact O-N 3.17Å; P135-T138 VanDerWaalsContact O-N 3.11Å; L136-T138 PolarHBondContact O-N 3.5Å; T138-L140 VanDerWaalsContact C-N 3.32Å; T138-L140 PolarHBondContact O-N 2.84Å; T138-Q141 PolarHBondContact O-N 2.71Å; T138-E142 WeakPolarHBondContact O-CG 3.34Å; T138-E142 PolarHBondContact O-N 2.66Å
139R98.5Very high97.8Very high5 Ų561.3 Ų61.32%0.01931%0.309CS..Hα-helixtrans-59.8-40.3177.6-69.2-168.8-77.11443.7112.1T127 T134 P135 L136 E137 V143 E174 F178T127-R139 HydrophobicContact CG2-CB 4.24Å; T127-R139 VanDerWaalsContact O-CD 3.27Å; T127-R139 WeakPolarHBondContact O-CD 3.27Å; T134-R139 WeakPolarHBondContact O-CD 3.34Å; T134-R139 PolarHBondContact O-NE 3.2Å; T134-R139 WeakPolarHBondContact OG1-CG 3.49Å; P135-R139 PolarHBondContact O-N 2.98Å; L136-R139 PolarHBondContact O-N 3.45Å; E137-R139 PolarHBondContact O-N 2.57Å; R139-V143 WeakPolarHBondContact O-CG2 3.42Å; R139-V143 PolarHBondContact O-N 2.73Å; R139-E174 IonicContact CZ-OE1 2.69Å; R139-E174 IonicContact CZ-OE2 2.8Å; R139-E174 IonicContact NH1-OE1 2.7Å; R139-E174 IonicContact NH1-OE2 2.89Å; R139-E174 PolarHBondContact NH1-OE2 3.44Å; R139-E174 VanDerWaalsContact NH2-CD 3.28Å; R139-E174 IonicContact NH2-OE1 3.44Å; R139-E174 PolarHBondContact NH2-OE1 2.92Å; R139-E174 IonicContact NH2-OE2 3.43Å; R139-E174 PolarHBondContact NH2-OE2 3.18Å; R139-E174 VanDerWaalsContact NH2-OE2 3.17Å; R139-F178 HydrophobicContact CB-CE1 3.79Å; R139-F178 HydrophobicContact CB-CZ 4.05Å
140L98.8Very high97.8Very high15 Ų1561.6 Ų61.68%0.07932%0.319CS..Hα-helixtrans-68.5-39.6175.9-71166.4000112.1L136 E137 T138 V143 R144 Q177 F178 A181L136-L140 HydrophobicContact CD1-CD1 4.25Å; L136-L140 HydrophobicContact CD1-CG 4.19Å; L136-L140 HydrophobicContact CG-CD1 3.98Å; L136-L140 HydrophobicContact CG-CG 4.41Å; L136-L140 WeakPolarHBondContact O-CG 3.49Å; L136-L140 PolarHBondContact O-N 2.78Å; E137-L140 PolarHBondContact O-N 3.11Å; T138-L140 VanDerWaalsContact C-N 3.32Å; T138-L140 PolarHBondContact O-N 2.84Å; L140-V143 PolarHBondContact O-N 2.82Å; L140-R144 WeakPolarHBondContact O-CG 3.49Å; L140-R144 PolarHBondContact O-N 3.15Å; L140-R144 VanDerWaalsContact O-N 3.12Å; L140-Q177 HydrophobicContact CD1-CB 4.5Å; L140-Q177 HydrophobicContact CD2-CB 3.87Å; L140-Q177 WeakPolarHBondContact CD2-O 3.28Å; L140-F178 HydrophobicContact CD2-CD1 3.58Å; L140-F178 HydrophobicContact CD2-CE1 3.9Å; L140-F178 HydrophobicContact CG-CD1 4.28Å; L140-F178 HydrophobicContact CG-CE1 4.11Å; L140-A181 HydrophobicContact CD2-CB 3.92Å
141Q98.5Very high97.9Very high96 Ų9659.4 Ų59.445%0.44931%0.305SS..Hα-helixtrans-62.7-42.4175.2-75179.9-3.700111.8E137 T138 V143 R144 M145E137-Q141 WeakPolarHBondContact O-CG 3.33Å; E137-Q141 PolarHBondContact O-N 3.36Å; T138-Q141 PolarHBondContact O-N 2.71Å; Q141-V143 VanDerWaalsContact C-N 3.31Å; Q141-V143 PolarHBondContact O-N 2.96Å; Q141-R144 PolarHBondContact O-N 2.95Å; Q141-M145 WeakPolarHBondContact O-CB 3.38Å; Q141-M145 VanDerWaalsContact O-CG 3.29Å; Q141-M145 WeakPolarHBondContact O-CG 3.37Å; Q141-M145 PolarHBondContact O-N 3.41Å
142E98.2Very high98.1Very high48 Ų4859.9 Ų59.922%0.22430%0.302CS..Hα-helixtrans-55.6-44.7175.2-73.8174.3-162.800112.1T127 G128 T138 M145 A146T127-E142 WeakPolarHBondContact CA-OE2 3.37Å; T127-E142 PolarHBondContact N-OE2 2.85Å; G128-E142 PolarHBondContact N-OE2 2.8Å; T138-E142 WeakPolarHBondContact O-CG 3.34Å; T138-E142 PolarHBondContact O-N 2.66Å; E142-M145 PolarHBondContact O-N 2.84Å; E142-A146 PolarHBondContact O-N 3.32Å
143V98.8Very high98.3Very high0 Ų060.4 Ų60.40%031%0.305CS..Hα-helixtrans-61-51.7177.1174.70000110.7A126 T127 R139 L140 Q141 M145 A146 V147 I154 I156 F178 A181 C182A126-V143 HydrophobicContact CB-CG2 3.85Å; T127-V143 HydrophobicContact CG2-CG2 3.51Å; R139-V143 WeakPolarHBondContact O-CG2 3.42Å; R139-V143 PolarHBondContact O-N 2.73Å; L140-V143 PolarHBondContact O-N 2.82Å; Q141-V143 VanDerWaalsContact C-N 3.31Å; Q141-V143 PolarHBondContact O-N 2.96Å; V143-M145 VanDerWaalsContact C-N 3.28Å; V143-M145 PolarHBondContact O-N 3.26Å; V143-A146 PolarHBondContact O-N 3.15Å; V143-V147 WeakPolarHBondContact O-CG2 3.39Å; V143-V147 PolarHBondContact O-N 3.04Å; V143-I154 HydrophobicContact CG1-CG1 4.42Å; V143-I154 HydrophobicContact CG1-CG2 4.27Å; V143-I154 HydrophobicContact CG2-CG2 4.2Å; V143-I156 HydrophobicContact CG2-CG2 4.24Å; V143-F178 HydrophobicContact CG2-CD1 4.41Å; V143-A181 HydrophobicContact CB-CB 4.14Å; V143-A181 HydrophobicContact CG1-CB 3.78Å; V143-C182 HydrophobicContact CG1-CB 4.5Å
144R98.8Very high98.4Very high133 Ų13355 Ų5550%0.50228%0.279SS..Hα-helixtrans-61.1-37.8-179.4-66.5179.2-169.4123.8-0.4112.1L140 Q141 R148 A181L140-R144 WeakPolarHBondContact O-CG 3.49Å; L140-R144 PolarHBondContact O-N 3.15Å; L140-R144 VanDerWaalsContact O-N 3.12Å; Q141-R144 PolarHBondContact O-N 2.95Å; R144-R148 VanDerWaalsContact O-CB 3.26Å; R144-R148 WeakPolarHBondContact O-CB 3.47Å; R144-R148 PolarHBondContact O-N 2.69Å; R144-A181 HydrophobicContact CG-CB 4.12Å
145M98.4Very high98.5Very high89 Ų8952.5 Ų52.544%0.43826%0.264SS..Hα-helixtrans-64.5-49.1175.9-74.9177.166.200111.7Q141 E142 V143 V147 R148 D149Q141-M145 WeakPolarHBondContact O-CB 3.38Å; Q141-M145 VanDerWaalsContact O-CG 3.29Å; Q141-M145 WeakPolarHBondContact O-CG 3.37Å; Q141-M145 PolarHBondContact O-N 3.41Å; E142-M145 PolarHBondContact O-N 2.84Å; V143-M145 VanDerWaalsContact C-N 3.28Å; V143-M145 PolarHBondContact O-N 3.26Å; M145-V147 VanDerWaalsContact C-N 3.32Å; M145-V147 PolarHBondContact O-N 3Å; M145-R148 PolarHBondContact O-N 2.7Å; M145-D149 WeakPolarHBondContact O-CB 3.2Å; M145-D149 PolarHBondContact O-N 3.49Å
146A98.7Very high98.6Very high0 Ų048.4 Ų48.40%024%0.237CC..Hα-helixtrans-59.9-42.1178.200000111.9V106 E142 V143 D149 G150 A151 I154V106-A146 HydrophobicContact CG2-CB 4.43Å; E142-A146 PolarHBondContact O-N 3.32Å; V143-A146 PolarHBondContact O-N 3.15Å; A146-D149 PolarHBondContact O-N 3.18Å; A146-G150 PolarHBondContact O-N 3.49Å; A146-A151 HydrophobicContact CB-CB 4.35Å; A146-A151 VanDerWaalsContact O-CB 3.23Å; A146-A151 WeakPolarHBondContact O-CB 3.26Å; A146-A151 PolarHBondContact O-N 2.96Å; A146-I154 HydrophobicContact CB-CD1 3.67Å
147V98.8Very high98.6Very high46 Ų4646.1 Ų46.128%0.27923%0.225SC..Hα-helixtrans-63.3-47.1175.1173.90000111.2V143 M145 D149 G150 I154 A185V143-V147 WeakPolarHBondContact O-CG2 3.39Å; V143-V147 PolarHBondContact O-N 3.04Å; M145-V147 VanDerWaalsContact C-N 3.32Å; M145-V147 PolarHBondContact O-N 3Å; V147-D149 PolarHBondContact O-N 2.88Å; V147-G150 WeakPolarHBondContact O-CA 3.24Å; V147-G150 PolarHBondContact O-N 2.83Å; V147-I154 HydrophobicContact CG2-CD1 3.9Å; V147-I154 HydrophobicContact CG2-CG1 3.89Å; V147-A185 HydrophobicContact CG2-CB 3.96Å
148R98.6Very high98.6Very high179 Ų17939.6 Ų39.668%0.67520%0.195SC*.Hα-helixtrans-58.2-38.2177.3-178.7-172.266.5-161.9-3.4112.3R144 M145 G150R144-R148 VanDerWaalsContact O-CB 3.26Å; R144-R148 WeakPolarHBondContact O-CB 3.47Å; R144-R148 PolarHBondContact O-N 2.69Å; M145-R148 PolarHBondContact O-N 2.7Å; R148-G150 PolarHBondContact O-N 2.95Å
149D98.6Very high98.6Very high55 Ų5538 Ų3829%0.29419%0.185SC..THydrogen-bonded Turntrans-77.1-4.6179.7-65-3000112.3V106 M145 A146 V147V106-D149 HydrophobicContact CB-CB 4.1Å; V106-D149 HydrophobicContact CG1-CB 3.88Å; M145-D149 WeakPolarHBondContact O-CB 3.2Å; M145-D149 PolarHBondContact O-N 3.49Å; A146-D149 PolarHBondContact O-N 3.18Å; V147-D149 PolarHBondContact O-N 2.88Å
150G98.5Very high98.5Very high31 Ų3138.9 Ų38.932%0.3219%0.188SC..THydrogen-bonded Turntrans109.213.1167.500000115.2A146 V147 R148 T152A146-G150 PolarHBondContact O-N 3.49Å; V147-G150 WeakPolarHBondContact O-CA 3.24Å; V147-G150 PolarHBondContact O-N 2.83Å; R148-G150 PolarHBondContact O-N 2.95Å; G150-T152 PolarHBondContact O-N 3.36Å
151A98.7Very high98.5Very high4 Ų441.2 Ų41.23%0.03320%0.203CC..  trans-66.3127.3172.300000110.1V106 V122 A146 I154V106-A151 HydrophobicContact CG1-CB 3.81Å; V106-A151 HydrophobicContact CG2-CB 4.25Å; V122-A151 WeakPolarHBondContact O-CA 3.42Å; A146-A151 HydrophobicContact CB-CB 4.35Å; A146-A151 VanDerWaalsContact O-CB 3.23Å; A146-A151 WeakPolarHBondContact O-CB 3.26Å; A146-A151 PolarHBondContact O-N 2.96Å; A151-I154 HydrophobicContact CB-CD1 3.82Å
152T98.6Very high98.4Very high62 Ų6237.2 Ų37.238%0.3819%0.185SC..SBendtrans-94.7-7.6176.755.40000112.2P121 V122 G150 A185 H186P121-T152 WeakPolarHBondContact CA-OG1 3.31Å; P121-T152 WeakPolarHBondContact CB-OG1 3.4Å; V122-T152 PolarHBondContact N-OG1 3.1Å; V122-T152 PolarHBondContact O-N 3.35Å; G150-T152 PolarHBondContact O-N 3.36Å; T152-A185 CarbonylContact O-C 3.52Å; T152-A185 VanDerWaalsContact O-CA 3.27Å; T152-A185 WeakPolarHBondContact O-CA 3.07Å; T152-A185 WeakPolarHBondContact O-CB 3.43Å; T152-H186 PolarHBondContact O-N 3.08Å
153E98.8Very high98.4Very high11 Ų1135 Ų355%0.05117%0.174CC..EExtended strand (participates in β ladder)trans-139.5141.6175.1-42.8-177.5151.100110.4P121 V122 A123 S124 H186 K188 R287P121-E153 HydrophobicContact CB-CG 4.05Å; V122-E153 PolarHBondContact O-N 3.5Å; A123-E153 CarbonylContact C-O 3.57Å; A123-E153 VanDerWaalsContact CA-O 3.23Å; A123-E153 WeakPolarHBondContact CA-O 3.41Å; A123-E153 HydrophobicContact CB-CB 4.02Å; S124-E153 PolarHBondContact N-O 3.12Å; E153-H186 CarbonylContact C-O 3.48Å; E153-H186 WeakPolarHBondContact CA-O 3.41Å; E153-H186 HydrophobicContact CB-CB 4.42Å; E153-H186 HydrophobicContact CG-CB 4.23Å; E153-K188 WeakPolarHBondContact OE2-CE 3.32Å; E153-K188 IonicContact OE2-NZ 3.25Å; E153-K188 PolarHBondContact OE2-NZ 2.97Å; E153-R287 IonicContact OE1-CZ 3.69Å; E153-R287 IonicContact OE1-NH1 3.93Å; E153-R287 PolarHBondContact OE1-NH1 3.13Å; E153-R287 IonicContact OE1-NH2 3.75Å; E153-R287 PolarHBondContact OE1-NH2 3.48Å; E153-R287 IonicContact OE2-CZ 3.47Å; E153-R287 IonicContact OE2-NH1 3.53Å; E153-R287 PolarHBondContact OE2-NH1 3.43Å; E153-R287 IonicContact OE2-NH2 2.6Å
154I98.9Very high98.4Very high0 Ų039.5 Ų39.50%020%0.198CC..EExtended strand (participates in β ladder)trans-125.9121.6-179.5-54.3-65.7000109.7S124 A126 V143 A146 V147 A151 I156 A185 H186 K188S124-I154 WeakPolarHBondContact O-CA 3.33Å; A126-I154 HydrophobicContact CB-CG2 3.74Å; V143-I154 HydrophobicContact CG1-CG1 4.42Å; V143-I154 HydrophobicContact CG1-CG2 4.27Å; V143-I154 HydrophobicContact CG2-CG2 4.2Å; A146-I154 HydrophobicContact CB-CD1 3.67Å; V147-I154 HydrophobicContact CG2-CD1 3.9Å; V147-I154 HydrophobicContact CG2-CG1 3.89Å; A151-I154 HydrophobicContact CB-CD1 3.82Å; I154-I156 HydrophobicContact CG2-CG2 3.71Å; I154-A185 HydrophobicContact CG1-CB 4.15Å; I154-H186 PolarHBondContact N-O 3.13Å; I154-K188 PolarHBondContact O-N 3.49Å
155D98.9Very high98.3Very high0 Ų037.1 Ų37.10%020%0.198CC..EExtended strand (participates in β ladder)trans-93.891.9174.3-79.737.4000109S124 V125 A126 K188 I190 K218 K254S124-D155 PolarHBondContact O-N 3.41Å; V125-D155 WeakPolarHBondContact CA-O 3.39Å; V125-D155 HydrophobicContact CG1-CB 4.2Å; A126-D155 PolarHBondContact N-O 2.87Å; D155-K188 CarbonylContact C-O 3.6Å; D155-K188 VanDerWaalsContact CA-O 3.3Å; D155-K188 WeakPolarHBondContact CA-O 3.46Å; D155-K188 VanDerWaalsContact OD1-CD 3.24Å; D155-K188 WeakPolarHBondContact OD1-CD 3.07Å; D155-K188 WeakPolarHBondContact OD1-CG 3.35Å; D155-K188 IonicContact OD1-NZ 2.71Å; D155-K188 PolarHBondContact OD1-NZ 3.32Å; D155-I190 HydrophobicContact CB-CD1 4.04Å; D155-K218 VanDerWaalsContact OD2-CD 3.24Å; D155-K218 WeakPolarHBondContact OD2-CD 3.44Å; D155-K218 WeakPolarHBondContact OD2-CE 3.46Å; D155-K218 IonicContact OD2-NZ 2.62Å; D155-K218 PolarHBondContact OD2-NZ 3.39Å; D155-K254 IonicContact OD1-NZ 3.52Å; D155-K254 IonicContact OD2-NZ 2.8Å; D155-K254 PolarHBondContact OD2-NZ 3.47Å
156I98.8Very high98.2Very high0 Ų034.6 Ų34.60%020%0.195CC..EExtended strand (participates in β ladder)trans-81.7150.3179.367.3156.3000111.4T127 V143 I154 I175 F178 M187 K188 T189 I190T127-I156 HydrophobicContact CG2-CB 3.79Å; T127-I156 HydrophobicContact CG2-CG2 3.66Å; V143-I156 HydrophobicContact CG2-CG2 4.24Å; I154-I156 HydrophobicContact CG2-CG2 3.71Å; I156-I175 HydrophobicContact CD1-CG1 4.37Å; I156-I175 HydrophobicContact CD1-CG2 4.24Å; I156-F178 HydrophobicContact CD1-CB 3.88Å; I156-F178 HydrophobicContact CD1-CD2 3.52Å; I156-F178 HydrophobicContact CD1-CE2 4.46Å; I156-F178 HydrophobicContact CD1-CG 4.04Å; I156-F178 HydrophobicContact CG2-CB 4.25Å; I156-M187 HydrophobicContact CD1-CG 4.31Å; I156-M187 HydrophobicContact CD1-SD 3.71Å; I156-M187 HydrophobicContact CG1-CG 4.14Å; I156-M187 HydrophobicContact CG1-SD 4.19Å; I156-M187 HydrophobicContact CG2-CG 4.3Å; I156-M187 HydrophobicContact CG2-SD 4.44Å; I156-K188 PolarHBondContact N-O 3.07Å; I156-T189 HydrophobicContact CD1-CG2 4.05Å; I156-T189 HydrophobicContact CG1-CG2 4.14Å; I156-I190 WeakPolarHBondContact O-CA 3.24Å; I156-I190 WeakPolarHBondContact O-CB 3.43Å; I156-I190 WeakPolarHBondContact O-CG1 3.23Å; I156-I190 PolarHBondContact O-N 3.18Å
157V98.8Very high98.2Very high0 Ų038.9 Ų38.90%022%0.215CC..EExtended strand (participates in β ladder)trans-106.3128171.3-171.80000110.4T127 F129 I190 T221T127-V157 PolarHBondContact OG1-N 3.25Å; T127-V157 PolarHBondContact OG1-O 2.91Å; F129-V157 HydrophobicContact CB-CG2 4.13Å; F129-V157 HydrophobicContact CD2-CG2 3.62Å; F129-V157 HydrophobicContact CG-CG2 4.3Å; V157-I190 HydrophobicContact CG2-CB 4.3Å; V157-I190 HydrophobicContact CG2-CD1 3.72Å; V157-T221 HydrophobicContact CG1-CG2 4.2Å; V157-T221 HydrophobicContact CG2-CG2 3.89Å
158I98.6Very high98.2Very high1 Ų137.7 Ų37.71%0.00521%0.206CC..  trans-67.5154174.866.3172.2000111.8R160 A163 M171 I175 T189 I190 L191 L196I158-R160 PolarHBondContact O-N 3.43Å; I158-A163 HydrophobicContact CD1-CB 4.42Å; I158-M171 HydrophobicContact CB-SD 4.33Å; I158-M171 HydrophobicContact CD1-SD 3.93Å; I158-M171 HydrophobicContact CG2-SD 4.48Å; I158-I175 HydrophobicContact CG2-CD1 3.98Å; I158-I175 HydrophobicContact CG2-CG1 4.47Å; I158-T189 HydrophobicContact CG2-CG2 3.39Å; I158-I190 PolarHBondContact N-O 3.28Å; I158-L191 HydrophobicContact CD1-CB 4.42Å; I158-L191 HydrophobicContact CD1-CD2 4.23Å; I158-L191 WeakPolarHBondContact CD1-O 3.26Å; I158-L191 HydrophobicContact CG2-CD2 4.26Å; I158-L196 HydrophobicContact CD1-CD2 4.45Å
159N97.7Very high98.2Very high24 Ų2433.4 Ų33.413%0.12819%0.194CC..  trans-72.797.9161.7-176.5-10.4000109.3Q133 T161 L162Q133-N159 PolarHBondContact NE2-OD1 3.12Å; N159-T161 PolarHBondContact O-N 3.07Å; N159-T161 VanDerWaalsContact O-N 3.14Å; N159-T161 VanDerWaalsContact OD1-CB 3.3Å; N159-T161 WeakPolarHBondContact OD1-CB 3.32Å; N159-T161 PolarHBondContact OD1-N 3.38Å; N159-T161 VanDerWaalsContact OD1-N 3.16Å; N159-T161 PolarHBondContact OD1-OG1 3Å; N159-L162 HydrophobicContact CB-CD1 3.98Å; N159-L162 HydrophobicContact CB-CG 4.07Å; N159-L162 WeakPolarHBondContact O-CB 3.43Å; N159-L162 PolarHBondContact O-N 2.88Å
160R97.3Very high98.2Very high22 Ų2233.9 Ų33.98%0.08320%0.198CC..Hα-helixtrans-55.2-31.6-177.6-60.7167.5179.876.1-0.7112.7P130 A131 I158 L162 A163 L164 A192 D195 L196 E224P130-R160 PolarHBondContact O-NH1 2.94Å; P130-R160 PolarHBondContact O-NH2 3.19Å; A131-R160 PolarHBondContact O-NH1 3.5Å; I158-R160 PolarHBondContact O-N 3.43Å; R160-L162 PolarHBondContact O-N 3.03Å; R160-A163 PolarHBondContact O-N 3.16Å; R160-A163 VanDerWaalsContact O-N 3.17Å; R160-L164 WeakPolarHBondContact O-CG 3.48Å; R160-L164 PolarHBondContact O-N 3.23Å; R160-A192 HydrophobicContact CG-CB 4.2Å; R160-D195 WeakPolarHBondContact CD-OD2 3.32Å; R160-D195 IonicContact CZ-OD2 2.62Å; R160-D195 IonicContact NE-OD2 3.19Å; R160-D195 PolarHBondContact NE-OD2 2.62Å; R160-D195 IonicContact NH2-OD2 3.8Å; R160-L196 HydrophobicContact CB-CD2 4.47Å; R160-E224 IonicContact CZ-OE1 3.71Å; R160-E224 IonicContact NH2-OE1 3.65Å; R160-E224 PolarHBondContact NH2-OE1 2.8Å
161T97.2Very high98.2Very high65 Ų6532.4 Ų32.440%0.39918%0.183SC..Hα-helixtrans-59.4-37.2179.2-51.60000111.5N159 L164 T165N159-T161 PolarHBondContact O-N 3.07Å; N159-T161 VanDerWaalsContact O-N 3.14Å; N159-T161 VanDerWaalsContact OD1-CB 3.3Å; N159-T161 WeakPolarHBondContact OD1-CB 3.32Å; N159-T161 PolarHBondContact OD1-N 3.38Å; N159-T161 VanDerWaalsContact OD1-N 3.16Å; N159-T161 PolarHBondContact OD1-OG1 3Å; T161-L164 PolarHBondContact O-N 3.19Å; T161-T165 HydrophobicContact CG2-CG2 4.34Å; T161-T165 WeakPolarHBondContact O-CB 3.48Å; T161-T165 WeakPolarHBondContact O-CG2 3.41Å; T161-T165 PolarHBondContact O-N 2.79Å; T161-T165 PolarHBondContact O-OG1 2.66Å
162L98.1Very high98.2Very high12 Ų1234 Ų346%0.06319%0.188CC..Hα-helixtrans-65.8-42.9178.1-59.7178.3000111.3N159 R160 G166 Q167 V170 M171 E174N159-L162 HydrophobicContact CB-CD1 3.98Å; N159-L162 HydrophobicContact CB-CG 4.07Å; N159-L162 WeakPolarHBondContact O-CB 3.43Å; N159-L162 PolarHBondContact O-N 2.88Å; R160-L162 PolarHBondContact O-N 3.03Å; L162-G166 CarbonylContact O-C 3.59Å; L162-G166 PolarHBondContact O-N 3.45Å; L162-Q167 HydrophobicContact CB-CB 4.2Å; L162-Q167 HydrophobicContact CD2-CB 3.94Å; L162-Q167 PolarHBondContact O-N 2.9Å; L162-V170 HydrophobicContact CD1-CB 4.35Å; L162-V170 HydrophobicContact CD1-CG1 3.93Å; L162-V170 HydrophobicContact CD2-CB 4.3Å; L162-V170 HydrophobicContact CD2-CG1 4Å; L162-M171 HydrophobicContact CB-CB 4.03Å; L162-M171 HydrophobicContact CD1-CB 4.08Å; L162-E174 HydrophobicContact CD1-CG 4.31Å
163A97.6Very high98.3Very high1 Ų138 Ų381%0.00820%0.197CC..Hα-helixtrans-65.8-42.9175.700000112.1I158 R160 T165 G166 W168 M171 L196I158-A163 HydrophobicContact CD1-CB 4.42Å; R160-A163 PolarHBondContact O-N 3.16Å; R160-A163 VanDerWaalsContact O-N 3.17Å; A163-T165 VanDerWaalsContact C-N 3.32Å; A163-T165 PolarHBondContact O-N 3.22Å; A163-G166 PolarHBondContact O-N 2.84Å; A163-W168 HydrophobicContact CB-CH2 3.82Å; A163-W168 HydrophobicContact CB-CZ3 3.65Å; A163-W168 WeakPolarHBondContact O-CH2 3.23Å; A163-W168 WeakPolarHBondContact O-CZ2 3.36Å; A163-M171 HydrophobicContact CB-SD 4.09Å; A163-L196 HydrophobicContact CB-CD2 3.94Å
164L97.4Very high98.2Very high94 Ų9438.5 Ų38.549%0.49220%0.199SC..Hα-helixtrans-66.9-31.7-179.9-72.6172.3000113.2R160 T161 D195R160-L164 WeakPolarHBondContact O-CG 3.48Å; R160-L164 PolarHBondContact O-N 3.23Å; T161-L164 PolarHBondContact O-N 3.19Å; L164-D195 WeakPolarHBondContact CD2-O 3.46Å
165T97.7Very high98.2Very high83 Ų8338.6 Ų38.651%0.50920%0.199SC..THydrogen-bonded Turntrans-95.14.1177.357.80000113.2T161 A163 Q167T161-T165 HydrophobicContact CG2-CG2 4.34Å; T161-T165 WeakPolarHBondContact O-CB 3.48Å; T161-T165 WeakPolarHBondContact O-CG2 3.41Å; T161-T165 PolarHBondContact O-N 2.79Å; T161-T165 PolarHBondContact O-OG1 2.66Å; A163-T165 VanDerWaalsContact C-N 3.32Å; A163-T165 PolarHBondContact O-N 3.22Å; T165-Q167 VanDerWaalsContact C-N 3.29Å; T165-Q167 PolarHBondContact O-N 2.75Å; T165-Q167 PolarHBondContact OG1-NE2 2.8Å
166G97.2Very high98.2Very high37 Ų3740.3 Ų40.338%0.38121%0.21SC..THydrogen-bonded Turntrans71.916.5177.200000115.2L162 A163 W168L162-G166 CarbonylContact O-C 3.59Å; L162-G166 PolarHBondContact O-N 3.45Å; A163-G166 PolarHBondContact O-N 2.84Å; G166-W168 PolarHBondContact O-N 3.39Å
167Q98.4Very high98.2Very high90 Ų9043.6 Ų43.642%0.42123%0.225SC..  trans-78.859.2176.9-64.7-177.472.600111.5L162 T165 E169 V170 M171L162-Q167 HydrophobicContact CB-CB 4.2Å; L162-Q167 HydrophobicContact CD2-CB 3.94Å; L162-Q167 PolarHBondContact O-N 2.9Å; T165-Q167 VanDerWaalsContact C-N 3.29Å; T165-Q167 PolarHBondContact O-N 2.75Å; T165-Q167 PolarHBondContact OG1-NE2 2.8Å; Q167-E169 PolarHBondContact O-N 2.62Å; Q167-V170 HydrophobicContact CB-CB 4.26Å; Q167-V170 HydrophobicContact CB-CG2 4.24Å; Q167-V170 PolarHBondContact O-N 2.86Å; Q167-M171 PolarHBondContact O-N 2.88Å
168W98.6Very high98.3Very high20 Ų2043.6 Ų43.68%0.07623%0.225CC..Hα-helixtrans-64.3-38.4-172.4-59.4112.8000113.6F10 L15 A163 G166 M171 Y172 N201 K204 A205 V208F10-W168 HydrophobicContact CE2-CB 4Å; F10-W168 HydrophobicContact CZ-CB 3.9Å; L15-W168 HydrophobicContact CD1-CB 3.96Å; L15-W168 HydrophobicContact CD1-CG 4.23Å; A163-W168 HydrophobicContact CB-CH2 3.82Å; A163-W168 HydrophobicContact CB-CZ3 3.65Å; A163-W168 WeakPolarHBondContact O-CH2 3.23Å; A163-W168 WeakPolarHBondContact O-CZ2 3.36Å; G166-W168 PolarHBondContact O-N 3.39Å; W168-M171 HydrophobicContact CE3-CE 3.62Å; W168-M171 HydrophobicContact CZ3-CE 3.78Å; W168-M171 HydrophobicContact CZ3-SD 4.49Å; W168-M171 PolarHBondContact O-N 2.87Å; W168-Y172 WeakPolarHBondContact O-CB 3.36Å; W168-Y172 PolarHBondContact O-N 3.34Å; W168-N201 HydrophobicContact CH2-CB 4.3Å; W168-K204 HydrophobicContact CD2-CB 4.31Å; W168-K204 HydrophobicContact CE3-CB 4.28Å; W168-K204 HydrophobicContact CH2-CB 3.78Å; W168-K204 HydrophobicContact CZ2-CB 3.81Å; W168-K204 HydrophobicContact CZ2-CD 3.79Å; W168-K204 HydrophobicContact CZ2-CG 4.47Å; W168-K204 HydrophobicContact CZ3-CB 4.03Å; W168-A205 HydrophobicContact CZ3-CB 3.96Å; W168-V208 HydrophobicContact CB-CG2 4.1Å; W168-V208 HydrophobicContact CE3-CG2 4.09Å
169E98.6Very high98.3Very high90 Ų9045.3 Ų45.342%0.42123%0.232SC..Hα-helixtrans-69.2-39.6178.9-169.3-178.7172.300111.7F10 Q167 M171 Y172 R173F10-E169 HydrophobicContact CD1-CB 4.16Å; F10-E169 HydrophobicContact CD1-CG 3.94Å; F10-E169 HydrophobicContact CE1-CB 3.72Å; F10-E169 HydrophobicContact CE1-CG 4.01Å; F10-E169 HydrophobicContact CE2-CB 4.41Å; F10-E169 HydrophobicContact CG-CG 4.38Å; F10-E169 HydrophobicContact CZ-CB 3.87Å; Q167-E169 PolarHBondContact O-N 2.62Å; E169-M171 VanDerWaalsContact C-N 3.32Å; E169-M171 PolarHBondContact O-N 2.97Å; E169-Y172 WeakPolarHBondContact O-CB 3.43Å; E169-Y172 PolarHBondContact O-N 2.87Å; E169-R173 WeakPolarHBondContact O-CG 3.32Å; E169-R173 PolarHBondContact O-N 3.03Å; E169-R173 IonicContact OE1-CZ 3.96Å; E169-R173 IonicContact OE1-NE 2.85Å; E169-R173 PolarHBondContact OE1-NE 3.43Å; E169-R173 IonicContact OE1-NH2 2.69Å; E169-R173 PolarHBondContact OE1-NH2 2.92Å
170V98.6Very high98.3Very high65 Ų6550.7 Ų50.739%0.39426%0.256SS..Hα-helixtrans-62.6-43.9174.8-175.40000109.9L162 Q167 Y172 R173 E174L162-V170 HydrophobicContact CD1-CB 4.35Å; L162-V170 HydrophobicContact CD1-CG1 3.93Å; L162-V170 HydrophobicContact CD2-CB 4.3Å; L162-V170 HydrophobicContact CD2-CG1 4Å; Q167-V170 HydrophobicContact CB-CB 4.26Å; Q167-V170 HydrophobicContact CB-CG2 4.24Å; Q167-V170 PolarHBondContact O-N 2.86Å; V170-Y172 PolarHBondContact O-N 3.35Å; V170-R173 PolarHBondContact O-N 2.86Å; V170-E174 PolarHBondContact O-N 3.2Å
171M98.7Very high98.4Very high0 Ų050.2 Ų50.20%026%0.257CS..Hα-helixtrans-63.1-41176-170.6178.576.300112.3I158 L162 A163 Q167 W168 E169 E174 I175 A205 V208I158-M171 HydrophobicContact CB-SD 4.33Å; I158-M171 HydrophobicContact CD1-SD 3.93Å; I158-M171 HydrophobicContact CG2-SD 4.48Å; L162-M171 HydrophobicContact CB-CB 4.03Å; L162-M171 HydrophobicContact CD1-CB 4.08Å; A163-M171 HydrophobicContact CB-SD 4.09Å; Q167-M171 PolarHBondContact O-N 2.88Å; W168-M171 HydrophobicContact CE3-CE 3.62Å; W168-M171 HydrophobicContact CZ3-CE 3.78Å; W168-M171 HydrophobicContact CZ3-SD 4.49Å; W168-M171 PolarHBondContact O-N 2.87Å; E169-M171 VanDerWaalsContact C-N 3.32Å; E169-M171 PolarHBondContact O-N 2.97Å; M171-E174 PolarHBondContact O-N 3.34Å; M171-I175 HydrophobicContact CG-CD1 3.99Å; M171-I175 VanDerWaalsContact O-CG1 3.3Å; M171-I175 WeakPolarHBondContact O-CG1 3.48Å; M171-I175 PolarHBondContact O-N 2.96Å; M171-A205 HydrophobicContact CE-CB 4.14Å; M171-V208 HydrophobicContact CB-CG1 4.43Å; M171-V208 HydrophobicContact CE-CB 3.49Å; M171-V208 VanDerWaalsContact CE-CB 3.49Å; M171-V208 HydrophobicContact CE-CG1 3.37Å; M171-V208 HydrophobicContact CE-CG2 4.06Å; M171-V208 HydrophobicContact CG-CG1 4.43Å
172Y98.9Very high98.4Very high37 Ų3747.1 Ų47.115%0.14524%0.238CC..Hα-helixtrans-55.8-51.6173.3170.8-93.7000110.8T8 F10 W168 E169 V170 E174 I175 V176 M211 A212T8-Y172 PolarHBondContact O-OH 2.68Å; F10-Y172 HydrophobicContact CB-CD1 3.88Å; F10-Y172 HydrophobicContact CB-CD2 4.13Å; F10-Y172 HydrophobicContact CB-CE1 3.94Å; F10-Y172 HydrophobicContact CB-CE2 4.15Å; F10-Y172 HydrophobicContact CB-CG 3.98Å; F10-Y172 HydrophobicContact CD2-CD1 4.43Å; F10-Y172 HydrophobicContact CD2-CD2 4.02Å; F10-Y172 AromaticContact CD2-CG 3.81Å; F10-Y172 HydrophobicContact CD2-CG 3.81Å; F10-Y172 HydrophobicContact CG-CD1 4.44Å; F10-Y172 HydrophobicContact CG-CG 4.26Å; W168-Y172 WeakPolarHBondContact O-CB 3.36Å; W168-Y172 PolarHBondContact O-N 3.34Å; E169-Y172 WeakPolarHBondContact O-CB 3.43Å; E169-Y172 PolarHBondContact O-N 2.87Å; V170-Y172 PolarHBondContact O-N 3.35Å; Y172-E174 VanDerWaalsContact C-N 3.33Å; Y172-E174 PolarHBondContact O-N 3.32Å; Y172-I175 PolarHBondContact O-N 2.79Å; Y172-I175 VanDerWaalsContact O-N 3.12Å; Y172-V176 HydrophobicContact CD1-CG2 4.22Å; Y172-V176 HydrophobicContact CE1-CG2 3.81Å; Y172-V176 HydrophobicContact CE2-CG2 4.21Å; Y172-V176 WeakPolarHBondContact O-CG2 3.49Å; Y172-V176 PolarHBondContact O-N 3.47Å; Y172-M211 HydrophobicContact CD2-CB 4.11Å; Y172-M211 HydrophobicContact CE2-CB 3.89Å; Y172-A212 HydrophobicContact CD2-CB 3.72Å; Y172-A212 HydrophobicContact CE2-CB 4Å; Y172-A212 HydrophobicContact CG-CB 4.43Å
173R98.8Very high98.4Very high146 Ų14648.4 Ų48.455%0.55125%0.254SS*.Hα-helixtrans-63.5-35.3-179.9-67.1177.6-173.4-159.33.6112.8E169 V170 Q177E169-R173 WeakPolarHBondContact O-CG 3.32Å; E169-R173 PolarHBondContact O-N 3.03Å; E169-R173 IonicContact OE1-CZ 3.96Å; E169-R173 IonicContact OE1-NE 2.85Å; E169-R173 PolarHBondContact OE1-NE 3.43Å; E169-R173 IonicContact OE1-NH2 2.69Å; E169-R173 PolarHBondContact OE1-NH2 2.92Å; V170-R173 PolarHBondContact O-N 2.86Å; R173-Q177 WeakPolarHBondContact O-CG 3.48Å; R173-Q177 PolarHBondContact O-N 3.22Å; R173-Q177 PolarHBondContact O-NE2 3.45Å; R173-Q177 VanDerWaalsContact O-NE2 3.08Å
174E98.7Very high98.3Very high22 Ų2255.4 Ų55.410%0.10329%0.291CS..Hα-helixtrans-63.5-45.3171.9-75.8-159.5163.900111.4L136 R139 L162 V170 M171 Y172 V176 Q177 F178L136-E174 HydrophobicContact CD1-CG 4.28Å; L136-E174 HydrophobicContact CD2-CG 4.42Å; R139-E174 IonicContact CZ-OE1 2.69Å; R139-E174 IonicContact CZ-OE2 2.8Å; R139-E174 IonicContact NH1-OE1 2.7Å; R139-E174 IonicContact NH1-OE2 2.89Å; R139-E174 PolarHBondContact NH1-OE2 3.44Å; R139-E174 VanDerWaalsContact NH2-CD 3.28Å; R139-E174 IonicContact NH2-OE1 3.44Å; R139-E174 PolarHBondContact NH2-OE1 2.92Å; R139-E174 IonicContact NH2-OE2 3.43Å; R139-E174 PolarHBondContact NH2-OE2 3.18Å; R139-E174 VanDerWaalsContact NH2-OE2 3.17Å; L162-E174 HydrophobicContact CD1-CG 4.31Å; V170-E174 PolarHBondContact O-N 3.2Å; M171-E174 PolarHBondContact O-N 3.34Å; Y172-E174 VanDerWaalsContact C-N 3.33Å; Y172-E174 PolarHBondContact O-N 3.32Å; E174-V176 PolarHBondContact O-N 3.15Å; E174-Q177 PolarHBondContact O-N 3.28Å; E174-F178 HydrophobicContact CB-CE2 4.23Å; E174-F178 VanDerWaalsContact O-CD2 3.25Å; E174-F178 WeakPolarHBondContact O-CD2 3.49Å; E174-F178 WeakPolarHBondContact O-CG 3.46Å; E174-F178 PolarHBondContact O-N 3.25Å; E174-F178 VanDerWaalsContact O-N 3.08Å
175I98.8Very high98.3Very high1 Ų151.2 Ų51.21%0.00527%0.27CS..Hα-helixtrans-68-36.1-178.6-63.5166.9000111.6I156 I158 M171 Y172 Q177 F178 R179 M187 T189 V208 A209 A212I156-I175 HydrophobicContact CD1-CG1 4.37Å; I156-I175 HydrophobicContact CD1-CG2 4.24Å; I158-I175 HydrophobicContact CG2-CD1 3.98Å; I158-I175 HydrophobicContact CG2-CG1 4.47Å; M171-I175 HydrophobicContact CG-CD1 3.99Å; M171-I175 VanDerWaalsContact O-CG1 3.3Å; M171-I175 WeakPolarHBondContact O-CG1 3.48Å; M171-I175 PolarHBondContact O-N 2.96Å; Y172-I175 PolarHBondContact O-N 2.79Å; Y172-I175 VanDerWaalsContact O-N 3.12Å; I175-Q177 VanDerWaalsContact C-N 3.33Å; I175-Q177 PolarHBondContact O-N 2.98Å; I175-F178 PolarHBondContact O-N 3.44Å; I175-R179 WeakPolarHBondContact O-CB 3.41Å; I175-R179 PolarHBondContact O-N 3.06Å; I175-M187 HydrophobicContact CG2-CE 3.59Å; I175-M187 HydrophobicContact CG2-SD 4.42Å; I175-T189 HydrophobicContact CD1-CG2 4.15Å; I175-V208 HydrophobicContact CD1-CG1 4.42Å; I175-A209 HydrophobicContact CD1-CB 4.17Å; I175-A212 HydrophobicContact CB-CB 3.6Å; I175-A212 HydrophobicContact CG2-CB 3.42Å; I175-A212 VanDerWaalsContact CG2-CB 3.42Å
176V98.9Very high98.3Very high37 Ų3748.2 Ų48.222%0.22425%0.25CS..Hα-helixtrans-59-44.2172.7170.10000111Y172 E174 F178 R179 E180 A212Y172-V176 HydrophobicContact CD1-CG2 4.22Å; Y172-V176 HydrophobicContact CE1-CG2 3.81Å; Y172-V176 HydrophobicContact CE2-CG2 4.21Å; Y172-V176 WeakPolarHBondContact O-CG2 3.49Å; Y172-V176 PolarHBondContact O-N 3.47Å; E174-V176 PolarHBondContact O-N 3.15Å; V176-F178 VanDerWaalsContact C-N 3.32Å; V176-F178 PolarHBondContact O-N 3.43Å; V176-R179 WeakPolarHBondContact O-CB 3.37Å; V176-R179 PolarHBondContact O-N 3.02Å; V176-R179 VanDerWaalsContact O-N 3.14Å; V176-E180 WeakPolarHBondContact O-CG 3.5Å; V176-E180 PolarHBondContact O-N 3.37Å; V176-A212 HydrophobicContact CG2-CB 3.89Å
177Q98.9Very high98.4Very high68 Ų6846.4 Ų46.432%0.31823%0.232SC..Hα-helixtrans-64.5-36.5176.4-70.8171.178.900112.4L140 R173 E174 I175 E180 A181L140-Q177 HydrophobicContact CD1-CB 4.5Å; L140-Q177 HydrophobicContact CD2-CB 3.87Å; L140-Q177 WeakPolarHBondContact CD2-O 3.28Å; R173-Q177 WeakPolarHBondContact O-CG 3.48Å; R173-Q177 PolarHBondContact O-N 3.22Å; R173-Q177 PolarHBondContact O-NE2 3.45Å; R173-Q177 VanDerWaalsContact O-NE2 3.08Å; E174-Q177 PolarHBondContact O-N 3.28Å; I175-Q177 VanDerWaalsContact C-N 3.33Å; I175-Q177 PolarHBondContact O-N 2.98Å; Q177-E180 PolarHBondContact O-N 3.49Å; Q177-A181 WeakPolarHBondContact O-CB 3.28Å; Q177-A181 PolarHBondContact O-N 2.62Å
178F98.8Very high98.4Very high1 Ų142.1 Ų42.10%0.00421%0.212CC..Hα-helixtrans-65.8-39.4172.5-62.5-41.5000112.2T127 L136 R139 L140 V143 I156 E174 I175 V176 A181 C182 M187T127-F178 HydrophobicContact CG2-CD1 3.59Å; T127-F178 HydrophobicContact CG2-CD2 4.26Å; T127-F178 HydrophobicContact CG2-CE1 3.54Å; T127-F178 HydrophobicContact CG2-CE2 4.19Å; T127-F178 HydrophobicContact CG2-CG 4Å; T127-F178 HydrophobicContact CG2-CZ 3.86Å; L136-F178 HydrophobicContact CD1-CE1 3.69Å; L136-F178 HydrophobicContact CD1-CZ 3.58Å; R139-F178 HydrophobicContact CB-CE1 3.79Å; R139-F178 HydrophobicContact CB-CZ 4.05Å; L140-F178 HydrophobicContact CD2-CD1 3.58Å; L140-F178 HydrophobicContact CD2-CE1 3.9Å; L140-F178 HydrophobicContact CG-CD1 4.28Å; L140-F178 HydrophobicContact CG-CE1 4.11Å; V143-F178 HydrophobicContact CG2-CD1 4.41Å; I156-F178 HydrophobicContact CD1-CB 3.88Å; I156-F178 HydrophobicContact CD1-CD2 3.52Å; I156-F178 HydrophobicContact CD1-CE2 4.46Å; I156-F178 HydrophobicContact CD1-CG 4.04Å; I156-F178 HydrophobicContact CG2-CB 4.25Å; E174-F178 HydrophobicContact CB-CE2 4.23Å; E174-F178 VanDerWaalsContact O-CD2 3.25Å; E174-F178 WeakPolarHBondContact O-CD2 3.49Å; E174-F178 WeakPolarHBondContact O-CG 3.46Å; E174-F178 PolarHBondContact O-N 3.25Å; E174-F178 VanDerWaalsContact O-N 3.08Å; I175-F178 PolarHBondContact O-N 3.44Å; V176-F178 VanDerWaalsContact C-N 3.32Å; V176-F178 PolarHBondContact O-N 3.43Å; F178-A181 PolarHBondContact O-N 2.86Å; F178-C182 PolarHBondContact O-N 2.95Å; F178-C182 PolarHBondContact O-SG 3.04Å; F178-M187 HydrophobicContact CB-SD 3.99Å
179R98.6Very high98.5Very high37 Ų3741.2 Ų41.214%0.1421%0.208CC..Hα-helixtrans-59.9-46175.3173.856.8177.6-146.9-4.8111.3R4 N5 I175 V176 C182 M187 G213 D215R4-R179 VanDerWaalsContact CZ-NH2 3.27Å; R4-R179 VanDerWaalsContact NE-CZ 3.3Å; R4-R179 VanDerWaalsContact NE-NH2 3.15Å; N5-R179 PolarHBondContact O-NH2 2.75Å; I175-R179 WeakPolarHBondContact O-CB 3.41Å; I175-R179 PolarHBondContact O-N 3.06Å; V176-R179 WeakPolarHBondContact O-CB 3.37Å; V176-R179 PolarHBondContact O-N 3.02Å; V176-R179 VanDerWaalsContact O-N 3.14Å; R179-C182 WeakPolarHBondContact O-CB 3.21Å; R179-C182 PolarHBondContact O-N 2.83Å; R179-M187 HydrophobicContact CB-CE 3.74Å; R179-M187 HydrophobicContact CB-SD 4.09Å; R179-M187 HydrophobicContact CG-CE 4.45Å; R179-G213 WeakPolarHBondContact CD-O 3.45Å; R179-G213 VanDerWaalsContact CZ-O 3.28Å; R179-G213 PolarHBondContact NH1-O 3.3Å; R179-D215 IonicContact CZ-OD1 2.82Å; R179-D215 IonicContact CZ-OD2 3.17Å; R179-D215 IonicContact NH1-OD1 3.99Å; R179-D215 PolarHBondContact NH1-OD1 3.25Å; R179-D215 IonicContact NH1-OD2 3.98Å; R179-D215 PolarHBondContact NH1-OD2 2.9Å; R179-D215 IonicContact NH2-OD1 3.86Å
180E98.6Very high98.5Very high136 Ų13636.9 Ų36.964%0.63619%0.188SC*.Hα-helixtrans-60.9-46174.5-70.2171-179.200111.4V176 Q177 C182 G183V176-E180 WeakPolarHBondContact O-CG 3.5Å; V176-E180 PolarHBondContact O-N 3.37Å; Q177-E180 PolarHBondContact O-N 3.49Å; E180-C182 PolarHBondContact O-N 3.11Å; E180-G183 PolarHBondContact O-N 3.16Å
181A98.7Very high98.5Very high12 Ų1233.8 Ų33.810%0.09917%0.17CC..Hα-helixtrans-63.9-25.6178.900000113.6L140 V143 R144 Q177 F178 G183L140-A181 HydrophobicContact CD2-CB 3.92Å; V143-A181 HydrophobicContact CB-CB 4.14Å; V143-A181 HydrophobicContact CG1-CB 3.78Å; R144-A181 HydrophobicContact CG-CB 4.12Å; Q177-A181 WeakPolarHBondContact O-CB 3.28Å; Q177-A181 PolarHBondContact O-N 2.62Å; F178-A181 PolarHBondContact O-N 2.86Å; A181-G183 PolarHBondContact O-N 2.99Å
182C98.6Very high98.4Very high0 Ų033.8 Ų33.80%017%0.17CC..THydrogen-bonded Turntrans-69.4-20.6175-700000112.9V143 F178 R179 E180 D184 A185V143-C182 HydrophobicContact CG1-CB 4.5Å; F178-C182 PolarHBondContact O-N 2.95Å; F178-C182 PolarHBondContact O-SG 3.04Å; R179-C182 WeakPolarHBondContact O-CB 3.21Å; R179-C182 PolarHBondContact O-N 2.83Å; E180-C182 PolarHBondContact O-N 3.11Å; C182-D184 PolarHBondContact O-N 3.42Å; C182-A185 HydrophobicContact CB-CB 4.31Å; C182-A185 VanDerWaalsContact O-CB 3.27Å; C182-A185 WeakPolarHBondContact O-CB 3.38Å; C182-A185 PolarHBondContact O-N 2.96Å
183G97.1Very high98.4Very high39 Ų3932.3 Ų32.340%0.40216%0.164SC..THydrogen-bonded Turntrans54.4-122.9-170.900000110.6R4 E180 A181R4-G183 VanDerWaalsContact CZ-O 3.23Å; R4-G183 PolarHBondContact NH1-O 3.38Å; R4-G183 PolarHBondContact NH2-O 3.46Å; E180-G183 PolarHBondContact O-N 3.16Å; A181-G183 PolarHBondContact O-N 2.99Å
184D96.3Very high98.3Very high149 Ų14926.8 Ų26.880%0.79715%0.153SC*.THydrogen-bonded Turntrans-78.9-14.4178-66.3-35.9000114.4C182C182-D184 PolarHBondContact O-N 3.42Å
185A98Very high98.2Very high6 Ų629.1 Ų29.15%0.0517%0.166CC..SBendtrans-63.6138.8-179.100000111.3R4 V147 T152 I154 C182 M187R4-A185 PolarHBondContact NH2-O 3.19Å; V147-A185 HydrophobicContact CG2-CB 3.96Å; T152-A185 CarbonylContact O-C 3.52Å; T152-A185 VanDerWaalsContact O-CA 3.27Å; T152-A185 WeakPolarHBondContact O-CA 3.07Å; T152-A185 WeakPolarHBondContact O-CB 3.43Å; I154-A185 HydrophobicContact CG1-CB 4.15Å; C182-A185 HydrophobicContact CB-CB 4.31Å; C182-A185 VanDerWaalsContact O-CB 3.27Å; C182-A185 WeakPolarHBondContact O-CB 3.38Å; C182-A185 PolarHBondContact O-N 2.96Å; A185-M187 PolarHBondContact O-N 3.18Å
186H97.7Very high98.1Very high19 Ų1929 Ų299%0.08817%0.166CC..EExtended strand (participates in β ladder)trans-67.5129.7175.6-89.8-127.2000110.4T152 E153 I154 D215T152-H186 PolarHBondContact O-N 3.08Å; E153-H186 CarbonylContact C-O 3.48Å; E153-H186 WeakPolarHBondContact CA-O 3.41Å; E153-H186 HydrophobicContact CB-CB 4.42Å; E153-H186 HydrophobicContact CG-CB 4.23Å; I154-H186 PolarHBondContact N-O 3.13Å; H186-D215 VanDerWaalsContact CA-OD2 3.24Å; H186-D215 WeakPolarHBondContact CA-OD2 3.38Å; H186-D215 IonicContact CG-OD2 3.19Å; H186-D215 IonicContact ND1-OD2 2.91Å
187M98.7Very high97.9Very high0 Ų030.7 Ų30.70%019%0.19CC..EExtended strand (participates in β ladder)trans-98.2127.5-179.8-172.9176.167.100110.7I156 I175 F178 R179 A185 S214 D215 F216I156-M187 HydrophobicContact CD1-CG 4.31Å; I156-M187 HydrophobicContact CD1-SD 3.71Å; I156-M187 HydrophobicContact CG1-CG 4.14Å; I156-M187 HydrophobicContact CG1-SD 4.19Å; I156-M187 HydrophobicContact CG2-CG 4.3Å; I156-M187 HydrophobicContact CG2-SD 4.44Å; I175-M187 HydrophobicContact CG2-CE 3.59Å; I175-M187 HydrophobicContact CG2-SD 4.42Å; F178-M187 HydrophobicContact CB-SD 3.99Å; R179-M187 HydrophobicContact CB-CE 3.74Å; R179-M187 HydrophobicContact CB-SD 4.09Å; R179-M187 HydrophobicContact CG-CE 4.45Å; A185-M187 PolarHBondContact O-N 3.18Å; M187-S214 PolarHBondContact O-OG 2.73Å; M187-D215 PolarHBondContact N-OD2 3.16Å; M187-D215 WeakPolarHBondContact O-CB 3.3Å; M187-D215 PolarHBondContact O-N 3.25Å; M187-F216 PolarHBondContact O-N 3.05Å
188K98.9Very high97.8Very high0 Ų030.8 Ų30.80%020%0.195CC..EExtended strand (participates in β ladder)trans-113.5120.3170.5-38.2-164.2-163.162.60109.4D55 E153 I154 D155 I156 F216 K254D55-K188 IonicContact OD2-NZ 3.92Å; E153-K188 WeakPolarHBondContact OE2-CE 3.32Å; E153-K188 IonicContact OE2-NZ 3.25Å; E153-K188 PolarHBondContact OE2-NZ 2.97Å; I154-K188 PolarHBondContact O-N 3.49Å; D155-K188 CarbonylContact C-O 3.6Å; D155-K188 VanDerWaalsContact CA-O 3.3Å; D155-K188 WeakPolarHBondContact CA-O 3.46Å; D155-K188 VanDerWaalsContact OD1-CD 3.24Å; D155-K188 WeakPolarHBondContact OD1-CD 3.07Å; D155-K188 WeakPolarHBondContact OD1-CG 3.35Å; D155-K188 IonicContact OD1-NZ 2.71Å; D155-K188 PolarHBondContact OD1-NZ 3.32Å; I156-K188 PolarHBondContact N-O 3.07Å; K188-F216 CarbonylContact C-O 3.45Å; K188-F216 VanDerWaalsContact CA-O 3.27Å; K188-F216 WeakPolarHBondContact CA-O 3.19Å; K188-F216 HydrophobicContact CB-CB 3.75Å; K188-F216 HydrophobicContact CD-CB 4Å; K188-F216 HydrophobicContact CD-CD2 4.47Å; K188-F216 HydrophobicContact CD-CG 4.13Å; K188-F216 HydrophobicContact CG-CB 3.75Å; K188-F216 HydrophobicContact CG-CD2 4.48Å; K188-F216 HydrophobicContact CG-CG 4.26Å; K188-K254 HydrophobicContact CD-CD 3.82Å
189T98.9Very high97.8Very high0 Ų032.6 Ų32.60%020%0.203CC..EExtended strand (participates in β ladder)trans-94.5111.3-178.1-54.10000111.2I156 I158 I175 L191 A209 S214 F216 K218I156-T189 HydrophobicContact CD1-CG2 4.05Å; I156-T189 HydrophobicContact CG1-CG2 4.14Å; I158-T189 HydrophobicContact CG2-CG2 3.39Å; I175-T189 HydrophobicContact CD1-CG2 4.15Å; T189-L191 HydrophobicContact CG2-CD2 4Å; T189-L191 PolarHBondContact O-N 2.93Å; T189-A209 HydrophobicContact CG2-CB 3.79Å; T189-S214 WeakPolarHBondContact CB-OG 3.49Å; T189-S214 PolarHBondContact N-OG 2.94Å; T189-S214 VanDerWaalsContact OG1-CB 3.31Å; T189-S214 WeakPolarHBondContact OG1-CB 3.44Å; T189-S214 PolarHBondContact OG1-OG 3.47Å; T189-F216 PolarHBondContact N-O 2.94Å; T189-K218 PolarHBondContact O-N 3.22Å
190I98.9Very high97.8Very high0 Ų032.8 Ų32.80%021%0.209CC..EExtended strand (participates in β ladder)trans-75.6117.6170.5-57.6158.7000109.1F129 D155 I156 V157 I158 K218 S220 T221F129-I190 HydrophobicContact CD2-CD1 4.15Å; F129-I190 HydrophobicContact CE2-CD1 4.17Å; D155-I190 HydrophobicContact CB-CD1 4.04Å; I156-I190 WeakPolarHBondContact O-CA 3.24Å; I156-I190 WeakPolarHBondContact O-CB 3.43Å; I156-I190 WeakPolarHBondContact O-CG1 3.23Å; I156-I190 PolarHBondContact O-N 3.18Å; V157-I190 HydrophobicContact CG2-CB 4.3Å; V157-I190 HydrophobicContact CG2-CD1 3.72Å; I158-I190 PolarHBondContact N-O 3.28Å; I190-K218 WeakPolarHBondContact CA-O 3.21Å; I190-K218 HydrophobicContact CD1-CD 4.18Å; I190-K218 HydrophobicContact CG1-CB 4.05Å; I190-K218 HydrophobicContact CG1-CD 3.44Å; I190-K218 VanDerWaalsContact CG1-CD 3.44Å; I190-K218 HydrophobicContact CG1-CG 3.79Å; I190-S220 VanDerWaalsContact CG2-C 3.42Å; I190-T221 HydrophobicContact CD1-CG2 4.4Å; I190-T221 HydrophobicContact CG2-CG2 3.72Å
191L98.8Very high97.7Very high0 Ų027.9 Ų27.90%019%0.187CC..  trans-86.5-18.1178.4-56.2-174000113.3I158 T189 T193 L196 A205 S206 A209 K218 M236I158-L191 HydrophobicContact CD1-CB 4.42Å; I158-L191 HydrophobicContact CD1-CD2 4.23Å; I158-L191 WeakPolarHBondContact CD1-O 3.26Å; I158-L191 HydrophobicContact CG2-CD2 4.26Å; T189-L191 HydrophobicContact CG2-CD2 4Å; T189-L191 PolarHBondContact O-N 2.93Å; L191-T193 HydrophobicContact CB-CG2 3.91Å; L191-T193 HydrophobicContact CD1-CG2 4.49Å; L191-T193 PolarHBondContact O-N 2.93Å; L191-L196 HydrophobicContact CB-CD1 4.11Å; L191-L196 WeakPolarHBondContact O-CD1 3.48Å; L191-A205 HydrophobicContact CD1-CB 4.19Å; L191-A205 HydrophobicContact CD2-CB 4.11Å; L191-S206 VanDerWaalsContact CD1-OG 3.26Å; L191-S206 WeakPolarHBondContact CD1-OG 3.16Å; L191-A209 HydrophobicContact CD2-CB 4.24Å; L191-K218 PolarHBondContact N-O 3.34Å; L191-M236 HydrophobicContact CD1-CE 3.67Å; L191-M236 HydrophobicContact CD1-SD 4.35Å; L191-M236 HydrophobicContact CG-CE 4.28Å
192A97.8Very high97.7Very high0 Ų027.5 Ų27.50%018%0.183CC..  trans51.954.6-172.700000112.4R160 G194 D195 T219 E224R160-A192 HydrophobicContact CG-CB 4.2Å; A192-G194 PolarHBondContact O-N 3.28Å; A192-D195 PolarHBondContact O-N 3.48Å; A192-T219 VanDerWaalsContact CA-O 3.3Å; A192-T219 WeakPolarHBondContact CA-O 3.34Å; A192-T219 PolarHBondContact N-O 3.4Å; A192-E224 WeakPolarHBondContact CB-OE1 3.49Å
193T97.8Very high97.7Very high5 Ų528.5 Ų28.53%0.03119%0.187CC..G310 helixtrans-57.3-23.4-168.851.40000115.2L191 D195 L196 I202 T219 V232 M236L191-T193 HydrophobicContact CB-CG2 3.91Å; L191-T193 HydrophobicContact CD1-CG2 4.49Å; L191-T193 PolarHBondContact O-N 2.93Å; T193-D195 PolarHBondContact O-N 3.04Å; T193-L196 PolarHBondContact O-N 3.29Å; T193-I202 HydrophobicContact CG2-CD1 4.35Å; T193-I202 HydrophobicContact CG2-CG1 4.02Å; T193-I202 HydrophobicContact CG2-CG2 3.84Å; T193-T219 WeakPolarHBondContact CG2-O 3.25Å; T193-T219 PolarHBondContact N-O 2.92Å; T193-T219 PolarHBondContact OG1-O 3.33Å; T193-V232 HydrophobicContact CG2-CG1 3.65Å; T193-V232 WeakPolarHBondContact OG1-CG1 3.36Å; T193-M236 HydrophobicContact CG2-SD 3.73Å
194G95.9Very high97.8Very high31 Ų3128.5 Ų28.532%0.3218%0.176SC..G310 helixtrans-60.9-26.3174.400000113.4A192 V226A192-G194 PolarHBondContact O-N 3.28Å; G194-V226 WeakPolarHBondContact CA-O 3.49Å
195D96.7Very high97.9Very high70 Ų7021.4 Ų21.437%0.37414%0.138SC..G310 helixtrans-100.6-7.1-175.9-55.6-31.7000112.9R160 L164 A192 T193 G197R160-D195 WeakPolarHBondContact CD-OD2 3.32Å; R160-D195 IonicContact CZ-OD2 2.62Å; R160-D195 IonicContact NE-OD2 3.19Å; R160-D195 PolarHBondContact NE-OD2 2.62Å; R160-D195 IonicContact NH2-OD2 3.8Å; L164-D195 WeakPolarHBondContact CD2-O 3.46Å; A192-D195 PolarHBondContact O-N 3.48Å; T193-D195 PolarHBondContact O-N 3.04Å; D195-G197 VanDerWaalsContact C-N 3.29Å; D195-G197 PolarHBondContact O-N 3.28Å
196L96.8Very high98Very high0 Ų021.1 Ų21.10%014%0.136CC..SBendtrans-83.5-2.3-173-62.6-169.4000114.3I158 R160 A163 L191 T193 T198 N201 I202 A205I158-L196 HydrophobicContact CD1-CD2 4.45Å; R160-L196 HydrophobicContact CB-CD2 4.47Å; A163-L196 HydrophobicContact CB-CD2 3.94Å; L191-L196 HydrophobicContact CB-CD1 4.11Å; L191-L196 WeakPolarHBondContact O-CD1 3.48Å; T193-L196 PolarHBondContact O-N 3.29Å; L196-T198 VanDerWaalsContact C-N 3.3Å; L196-T198 PolarHBondContact O-N 3.37Å; L196-N201 HydrophobicContact CB-CB 4.32Å; L196-N201 VanDerWaalsContact O-CB 3.32Å; L196-N201 WeakPolarHBondContact O-CB 3.33Å; L196-N201 PolarHBondContact O-ND2 3.17Å; L196-I202 HydrophobicContact CB-CG1 3.93Å; L196-I202 HydrophobicContact CD1-CG1 4.12Å; L196-A205 HydrophobicContact CD1-CB 3.96Å
197G94.9Very high98Very high71 Ų7120.2 Ų20.273%0.73213%0.132SC*.  trans74.4-68.4174.500000114D195D195-G197 VanDerWaalsContact C-N 3.29Å; D195-G197 PolarHBondContact O-N 3.28Å
198T97.1Very high98Very high70 Ų7020.2 Ų20.243%0.42913%0.132SC..SBendtrans-110.5151.7-171.771.80000113L196 T200 N201 I202L196-T198 VanDerWaalsContact C-N 3.3Å; L196-T198 PolarHBondContact O-N 3.37Å; T198-T200 PolarHBondContact O-N 3.11Å; T198-N201 PolarHBondContact O-N 2.92Å; T198-N201 VanDerWaalsContact O-N 3.13Å; T198-N201 PolarHBondContact OG1-N 3.37Å; T198-N201 VanDerWaalsContact OG1-N 3.12Å; T198-I202 PolarHBondContact O-N 3.29Å; T198-I202 VanDerWaalsContact O-N 3.1Å
199F98.5Very high98Very high39 Ų3920.2 Ų20.217%0.17113%0.132CC..Hα-helixtrans-60.2-30.7170.9-66.6-34.3000112.9V20 T22 V25 L26 I202 Y203 P231 V232 V235V20-F199 HydrophobicContact CB-CB 4.23Å; V20-F199 HydrophobicContact CG1-CB 3.69Å; T22-F199 HydrophobicContact CG2-CD2 4.04Å; T22-F199 HydrophobicContact CG2-CE2 3.87Å; V25-F199 HydrophobicContact CB-CD2 4.36Å; V25-F199 HydrophobicContact CB-CE2 4.23Å; V25-F199 HydrophobicContact CG1-CD2 4.13Å; V25-F199 HydrophobicContact CG1-CE2 3.8Å; V25-F199 HydrophobicContact CG1-CZ 4.16Å; L26-F199 HydrophobicContact CD2-CE2 4.42Å; L26-F199 HydrophobicContact CD2-CZ 4.4Å; F199-I202 HydrophobicContact CD1-CD1 4.08Å; F199-I202 PolarHBondContact O-N 2.7Å; F199-Y203 PolarHBondContact O-N 2.75Å; F199-P231 HydrophobicContact CE1-CB 3.98Å; F199-P231 HydrophobicContact CE2-CB 4.36Å; F199-P231 HydrophobicContact CZ-CB 3.48Å; F199-P231 VanDerWaalsContact CZ-CB 3.48Å; F199-V232 HydrophobicContact CE1-CG2 4.09Å; F199-V235 HydrophobicContact CB-CG2 3.78Å; F199-V235 HydrophobicContact CD1-CG2 3.85Å; F199-V235 HydrophobicContact CD2-CG2 4.38Å; F199-V235 HydrophobicContact CG-CG2 3.77Å; F199-V235 WeakPolarHBondContact O-CG1 3.38Å
200T98.2Very high98Very high42 Ų4220.2 Ų20.226%0.25813%0.132SC..Hα-helixtrans-62.8-44174-58.40000111.6V18 T198 Y203 K204V18-T200 HydrophobicContact CG1-CG2 4.34Å; T198-T200 PolarHBondContact O-N 3.11Å; T200-Y203 PolarHBondContact O-N 3.27Å; T200-K204 HydrophobicContact CG2-CD 4.2Å; T200-K204 WeakPolarHBondContact O-CB 3.29Å; T200-K204 VanDerWaalsContact O-CG 3.32Å; T200-K204 WeakPolarHBondContact O-CG 3.47Å; T200-K204 PolarHBondContact O-N 2.93Å
201N98.1Very high98Very high33 Ų3320.3 Ų20.318%0.17613%0.132CC..Hα-helixtrans-64.2-41175.7-77.2-4.8000111.7W168 L196 T198 Y203 K204 A205W168-N201 HydrophobicContact CH2-CB 4.3Å; L196-N201 HydrophobicContact CB-CB 4.32Å; L196-N201 VanDerWaalsContact O-CB 3.32Å; L196-N201 WeakPolarHBondContact O-CB 3.33Å; L196-N201 PolarHBondContact O-ND2 3.17Å; T198-N201 PolarHBondContact O-N 2.92Å; T198-N201 VanDerWaalsContact O-N 3.13Å; T198-N201 PolarHBondContact OG1-N 3.37Å; T198-N201 VanDerWaalsContact OG1-N 3.12Å; N201-Y203 PolarHBondContact O-N 3.35Å; N201-K204 PolarHBondContact O-N 3.23Å; N201-A205 VanDerWaalsContact O-CB 3.26Å; N201-A205 WeakPolarHBondContact O-CB 3.34Å; N201-A205 PolarHBondContact O-N 2.75Å
202I98.8Very high98Very high4 Ų420.5 Ų20.52%0.02113%0.134CC..Hα-helixtrans-61.2-45.8177-68163.7000111T193 L196 T198 F199 A205 S206 V232 V235 M236T193-I202 HydrophobicContact CG2-CD1 4.35Å; T193-I202 HydrophobicContact CG2-CG1 4.02Å; T193-I202 HydrophobicContact CG2-CG2 3.84Å; L196-I202 HydrophobicContact CB-CG1 3.93Å; L196-I202 HydrophobicContact CD1-CG1 4.12Å; T198-I202 PolarHBondContact O-N 3.29Å; T198-I202 VanDerWaalsContact O-N 3.1Å; F199-I202 HydrophobicContact CD1-CD1 4.08Å; F199-I202 PolarHBondContact O-N 2.7Å; I202-A205 PolarHBondContact O-N 3.26Å; I202-S206 WeakPolarHBondContact O-CB 3.12Å; I202-S206 PolarHBondContact O-N 3.19Å; I202-S206 PolarHBondContact O-OG 3.44Å; I202-V232 HydrophobicContact CD1-CG1 4.38Å; I202-V232 HydrophobicContact CD1-CG2 3.92Å; I202-V232 HydrophobicContact CG2-CG1 4.3Å; I202-V235 HydrophobicContact CB-CG1 4.3Å; I202-V235 HydrophobicContact CG2-CB 4.4Å; I202-V235 HydrophobicContact CG2-CG1 3.97Å; I202-M236 HydrophobicContact CG2-CG 3.65Å; I202-M236 HydrophobicContact CG2-SD 4.29Å
203Y98.8Very high98.1Very high21 Ų2120.6 Ų20.68%0.08213%0.134CC..Hα-helixtrans-61.3-50.1176.5-171.2-77.6000110.8V18 V20 F199 T200 N201 A205 S206 M207 V235 A239 D242V18-Y203 HydrophobicContact CB-CD1 4.19Å; V18-Y203 HydrophobicContact CB-CE1 4.42Å; V18-Y203 HydrophobicContact CG1-CD1 3.39Å; V18-Y203 HydrophobicContact CG1-CE1 3.94Å; V18-Y203 HydrophobicContact CG1-CG 3.88Å; V18-Y203 HydrophobicContact CG2-CD1 3.63Å; V18-Y203 HydrophobicContact CG2-CE1 3.56Å; V20-Y203 HydrophobicContact CG2-CD2 4.49Å; V20-Y203 HydrophobicContact CG2-CG 4.38Å; F199-Y203 PolarHBondContact O-N 2.75Å; T200-Y203 PolarHBondContact O-N 3.27Å; N201-Y203 PolarHBondContact O-N 3.35Å; Y203-A205 VanDerWaalsContact C-N 3.35Å; Y203-A205 PolarHBondContact O-N 3.27Å; Y203-S206 VanDerWaalsContact O-CB 3.31Å; Y203-S206 WeakPolarHBondContact O-CB 3.43Å; Y203-S206 PolarHBondContact O-N 3.07Å; Y203-S206 VanDerWaalsContact O-N 3.15Å; Y203-M207 HydrophobicContact CD1-CG 3.71Å; Y203-M207 HydrophobicContact CE1-CG 3.4Å; Y203-M207 VanDerWaalsContact CE1-CG 3.4Å; Y203-M207 HydrophobicContact CE1-SD 3.89Å; Y203-M207 WeakPolarHBondContact O-CG 3.35Å; Y203-M207 PolarHBondContact O-N 3.34Å; Y203-V235 HydrophobicContact CD2-CG1 4.16Å; Y203-V235 HydrophobicContact CG-CG1 4.43Å; Y203-A239 HydrophobicContact CD2-CB 3.76Å; Y203-A239 HydrophobicContact CE1-CB 4.47Å; Y203-A239 HydrophobicContact CE2-CB 3.68Å; Y203-A239 HydrophobicContact CG-CB 4.23Å; Y203-D242 WeakPolarHBondContact OH-CB 3.24Å; Y203-D242 PolarHBondContact OH-OD2 3.41Å
204K98.8Very high98.1Very high39 Ų3920.3 Ų20.317%0.1713%0.133CC..Hα-helixtrans-59.8-43.9179.5-72.8178.8178.8-171.40112.1L15 V18 W168 T200 N201 S206 M207 V208L15-K204 HydrophobicContact CD2-CB 4.15Å; L15-K204 HydrophobicContact CD2-CG 4.13Å; L15-K204 WeakPolarHBondContact O-CE 3.35Å; V18-K204 HydrophobicContact CB-CG 4.38Å; V18-K204 HydrophobicContact CG1-CG 4.4Å; V18-K204 HydrophobicContact CG2-CG 4.38Å; W168-K204 HydrophobicContact CD2-CB 4.31Å; W168-K204 HydrophobicContact CE3-CB 4.28Å; W168-K204 HydrophobicContact CH2-CB 3.78Å; W168-K204 HydrophobicContact CZ2-CB 3.81Å; W168-K204 HydrophobicContact CZ2-CD 3.79Å; W168-K204 HydrophobicContact CZ2-CG 4.47Å; W168-K204 HydrophobicContact CZ3-CB 4.03Å; T200-K204 HydrophobicContact CG2-CD 4.2Å; T200-K204 WeakPolarHBondContact O-CB 3.29Å; T200-K204 VanDerWaalsContact O-CG 3.32Å; T200-K204 WeakPolarHBondContact O-CG 3.47Å; T200-K204 PolarHBondContact O-N 2.93Å; N201-K204 PolarHBondContact O-N 3.23Å; K204-S206 VanDerWaalsContact C-N 3.31Å; K204-S206 PolarHBondContact O-N 3.38Å; K204-M207 PolarHBondContact O-N 3.15Å; K204-V208 WeakPolarHBondContact O-CG2 3.46Å; K204-V208 PolarHBondContact O-N 2.88Å
205A98.8Very high98.2Very high0 Ų019.2 Ų19.20%012%0.12CC..Hα-helixtrans-63.6-38.117700000112.2W168 M171 L191 L196 N201 I202 Y203 V208 A209W168-A205 HydrophobicContact CZ3-CB 3.96Å; M171-A205 HydrophobicContact CE-CB 4.14Å; L191-A205 HydrophobicContact CD1-CB 4.19Å; L191-A205 HydrophobicContact CD2-CB 4.11Å; L196-A205 HydrophobicContact CD1-CB 3.96Å; N201-A205 VanDerWaalsContact O-CB 3.26Å; N201-A205 WeakPolarHBondContact O-CB 3.34Å; N201-A205 PolarHBondContact O-N 2.75Å; I202-A205 PolarHBondContact O-N 3.26Å; Y203-A205 VanDerWaalsContact C-N 3.35Å; Y203-A205 PolarHBondContact O-N 3.27Å; A205-V208 PolarHBondContact O-N 3.4Å; A205-A209 WeakPolarHBondContact O-CB 3.38Å; A205-A209 PolarHBondContact O-N 2.66Å
206S98.9Very high98.3Very high0 Ų016 Ų160%010%0.102CC..Hα-helixtrans-60.3-49173.1-56.70000111.1L191 I202 Y203 K204 V208 A209 M210L191-S206 VanDerWaalsContact CD1-OG 3.26Å; L191-S206 WeakPolarHBondContact CD1-OG 3.16Å; I202-S206 WeakPolarHBondContact O-CB 3.12Å; I202-S206 PolarHBondContact O-N 3.19Å; I202-S206 PolarHBondContact O-OG 3.44Å; Y203-S206 VanDerWaalsContact O-CB 3.31Å; Y203-S206 WeakPolarHBondContact O-CB 3.43Å; Y203-S206 PolarHBondContact O-N 3.07Å; Y203-S206 VanDerWaalsContact O-N 3.15Å; K204-S206 VanDerWaalsContact C-N 3.31Å; K204-S206 PolarHBondContact O-N 3.38Å; S206-V208 PolarHBondContact O-N 2.91Å; S206-A209 PolarHBondContact O-N 3.03Å; S206-M210 WeakPolarHBondContact O-CE 3.42Å; S206-M210 WeakPolarHBondContact O-CG 3.42Å; S206-M210 PolarHBondContact O-N 3.23Å
207M98.8Very high98.4Very high0 Ų016 Ų160%010%0.102CC..Hα-helixtrans-60.7-46.2178.5-67.2-51.7-57.400111.9W14 L15 Y203 K204 A209 M210 M211 A239 Y243W14-M207 HydrophobicContact CD2-CE 3.65Å; W14-M207 HydrophobicContact CE3-CE 3.57Å; W14-M207 HydrophobicContact CH2-CE 3.18Å; W14-M207 HydrophobicContact CZ2-CE 3.18Å; W14-M207 HydrophobicContact CZ2-SD 4.39Å; W14-M207 HydrophobicContact CZ3-CE 3.35Å; L15-M207 HydrophobicContact CD2-CB 3.75Å; L15-M207 HydrophobicContact CD2-CG 4.43Å; Y203-M207 HydrophobicContact CD1-CG 3.71Å; Y203-M207 HydrophobicContact CE1-CG 3.4Å; Y203-M207 VanDerWaalsContact CE1-CG 3.4Å; Y203-M207 HydrophobicContact CE1-SD 3.89Å; Y203-M207 WeakPolarHBondContact O-CG 3.35Å; Y203-M207 PolarHBondContact O-N 3.34Å; K204-M207 PolarHBondContact O-N 3.15Å; M207-A209 PolarHBondContact O-N 3.32Å; M207-M210 HydrophobicContact CE-CE 4.42Å; M207-M210 PolarHBondContact O-N 3.09Å; M207-M210 HydrophobicContact SD-CE 3.61Å; M207-M211 HydrophobicContact CB-CE 4.19Å; M207-M211 WeakPolarHBondContact O-CB 3.46Å; M207-M211 VanDerWaalsContact O-CG 3.31Å; M207-M211 WeakPolarHBondContact O-CG 3.41Å; M207-M211 PolarHBondContact O-N 2.95Å; M207-A239 HydrophobicContact SD-CB 3.9Å; M207-Y243 HydrophobicContact CE-CD2 3.89Å
208V98.9Very high98.6Very high0 Ų012.9 Ų12.90%07%0.069CC..Hα-helixtrans-61.1-44.7178.5170.90000111.6F10 L15 W168 M171 I175 K204 A205 S206 M210 M211 A212F10-V208 HydrophobicContact CE2-CG2 4.15Å; L15-V208 HydrophobicContact CD1-CG2 3.68Å; L15-V208 HydrophobicContact CD2-CG2 4.26Å; W168-V208 HydrophobicContact CB-CG2 4.1Å; W168-V208 HydrophobicContact CE3-CG2 4.09Å; M171-V208 HydrophobicContact CB-CG1 4.43Å; M171-V208 HydrophobicContact CE-CB 3.49Å; M171-V208 VanDerWaalsContact CE-CB 3.49Å; M171-V208 HydrophobicContact CE-CG1 3.37Å; M171-V208 HydrophobicContact CE-CG2 4.06Å; M171-V208 HydrophobicContact CG-CG1 4.43Å; I175-V208 HydrophobicContact CD1-CG1 4.42Å; K204-V208 WeakPolarHBondContact O-CG2 3.46Å; K204-V208 PolarHBondContact O-N 2.88Å; A205-V208 PolarHBondContact O-N 3.4Å; S206-V208 PolarHBondContact O-N 2.91Å; V208-M210 VanDerWaalsContact C-N 3.33Å; V208-M210 PolarHBondContact O-N 3.16Å; V208-M211 HydrophobicContact CG2-CE 4.2Å; V208-M211 PolarHBondContact O-N 3.37Å; V208-A212 VanDerWaalsContact O-CB 3.31Å; V208-A212 WeakPolarHBondContact O-CB 3.49Å; V208-A212 PolarHBondContact O-N 3.05Å
209A98.9Very high98.7Very high0 Ų09.6 Ų9.60%05%0.048CC..Hα-helixtrans-60.9-41.817700000112.1I175 T189 L191 A205 S206 M207 A212 G213 S214 I217I175-A209 HydrophobicContact CD1-CB 4.17Å; T189-A209 HydrophobicContact CG2-CB 3.79Å; L191-A209 HydrophobicContact CD2-CB 4.24Å; A205-A209 WeakPolarHBondContact O-CB 3.38Å; A205-A209 PolarHBondContact O-N 2.66Å; S206-A209 PolarHBondContact O-N 3.03Å; M207-A209 PolarHBondContact O-N 3.32Å; A209-A212 PolarHBondContact O-N 3.43Å; A209-G213 PolarHBondContact O-N 3.37Å; A209-S214 WeakPolarHBondContact O-CB 3.21Å; A209-S214 PolarHBondContact O-N 3.24Å; A209-I217 HydrophobicContact CB-CG2 3.98Å
210M98.8Very high98.7Very high0 Ų07.7 Ų7.70%04%0.04CC..Hα-helixtrans-69.5-42.8177.7-67.5-173-66.600112.7N5 S206 M207 V208 A212 G213 I217 A239 I240 Y243 V251N5-M210 PolarHBondContact ND2-O 3.31Å; S206-M210 WeakPolarHBondContact O-CE 3.42Å; S206-M210 WeakPolarHBondContact O-CG 3.42Å; S206-M210 PolarHBondContact O-N 3.23Å; M207-M210 HydrophobicContact CE-CE 4.42Å; M207-M210 PolarHBondContact O-N 3.09Å; M207-M210 HydrophobicContact SD-CE 3.61Å; V208-M210 VanDerWaalsContact C-N 3.33Å; V208-M210 PolarHBondContact O-N 3.16Å; M210-A212 PolarHBondContact O-N 2.88Å; M210-G213 PolarHBondContact O-N 3.49Å; M210-I217 HydrophobicContact CG-CG2 3.89Å; M210-I217 HydrophobicContact SD-CD1 4.48Å; M210-A239 HydrophobicContact CE-CB 4.04Å; M210-I240 HydrophobicContact SD-CB 4.44Å; M210-I240 HydrophobicContact SD-CG1 3.81Å; M210-Y243 HydrophobicContact CB-CD1 4.25Å; M210-Y243 HydrophobicContact CB-CD2 3.85Å; M210-Y243 HydrophobicContact CB-CE1 4.23Å; M210-Y243 HydrophobicContact CB-CE2 3.84Å; M210-Y243 HydrophobicContact CB-CG 4.06Å; M210-Y243 HydrophobicContact CE-CD2 4.39Å; M210-Y243 HydrophobicContact CE-CG 4.09Å; M210-Y243 PolarHBondContact O-OH 2.95Å; M210-Y243 HydrophobicContact SD-CD1 4.22Å; M210-Y243 HydrophobicContact SD-CG 4.02Å; M210-V251 HydrophobicContact CB-CG2 4.35Å; M210-V251 HydrophobicContact CG-CB 4.2Å; M210-V251 HydrophobicContact CG-CG1 3.84Å; M210-V251 HydrophobicContact CG-CG2 3.93Å; M210-V251 HydrophobicContact SD-CB 3.78Å; M210-V251 HydrophobicContact SD-CG1 3.86Å; M210-V251 HydrophobicContact SD-CG2 3.86Å
211M98.8Very high98.6Very high1 Ų16 Ų61%0.0053%0.03CC..Hα-helixtrans-59-39.3173.3-69.5-173.2-76.300110.8G7 T8 F10 D11 W14 L15 Y172 M207 V208 G213 Y243G7-M211 CarbonylContact C-O 3.49Å; G7-M211 WeakPolarHBondContact CA-O 3.45Å; T8-M211 PolarHBondContact N-O 3.19Å; T8-M211 WeakPolarHBondContact OG1-CG 3.43Å; F10-M211 HydrophobicContact CD2-CE 4.43Å; D11-M211 HydrophobicContact CB-SD 4.03Å; W14-M211 HydrophobicContact CE3-SD 4.23Å; L15-M211 HydrophobicContact CD1-CE 4.14Å; L15-M211 HydrophobicContact CD2-CE 4.08Å; L15-M211 HydrophobicContact CG-CE 4.11Å; Y172-M211 HydrophobicContact CD2-CB 4.11Å; Y172-M211 HydrophobicContact CE2-CB 3.89Å; M207-M211 HydrophobicContact CB-CE 4.19Å; M207-M211 WeakPolarHBondContact O-CB 3.46Å; M207-M211 VanDerWaalsContact O-CG 3.31Å; M207-M211 WeakPolarHBondContact O-CG 3.41Å; M207-M211 PolarHBondContact O-N 2.95Å; V208-M211 HydrophobicContact CG2-CE 4.2Å; V208-M211 PolarHBondContact O-N 3.37Å; M211-G213 PolarHBondContact O-N 2.86Å; M211-G213 VanDerWaalsContact O-N 3.13Å; M211-Y243 HydrophobicContact CG-CE2 4.18Å
212A98.8Very high98.5Very high5 Ų56.1 Ų6.14%0.0414%0.039CC..THydrogen-bonded Turntrans-74.56.5177.100000114.6Y172 I175 V176 V208 A209 M210Y172-A212 HydrophobicContact CD2-CB 3.72Å; Y172-A212 HydrophobicContact CE2-CB 4Å; Y172-A212 HydrophobicContact CG-CB 4.43Å; I175-A212 HydrophobicContact CB-CB 3.6Å; I175-A212 HydrophobicContact CG2-CB 3.42Å; I175-A212 VanDerWaalsContact CG2-CB 3.42Å; V176-A212 HydrophobicContact CG2-CB 3.89Å; V208-A212 VanDerWaalsContact O-CB 3.31Å; V208-A212 WeakPolarHBondContact O-CB 3.49Å; V208-A212 PolarHBondContact O-N 3.05Å; A209-A212 PolarHBondContact O-N 3.43Å; M210-A212 PolarHBondContact O-N 2.88Å
213G98.4Very high98.3Very high1 Ų111.1 Ų11.11%0.016%0.06CC..THydrogen-bonded Turntrans87.425174.100000114.8R179 A209 M210 M211R179-G213 WeakPolarHBondContact CD-O 3.45Å; R179-G213 VanDerWaalsContact CZ-O 3.28Å; R179-G213 PolarHBondContact NH1-O 3.3Å; A209-G213 PolarHBondContact O-N 3.37Å; M210-G213 PolarHBondContact O-N 3.49Å; M211-G213 PolarHBondContact O-N 2.86Å; M211-G213 VanDerWaalsContact O-N 3.13Å
214S98.6Very high98.1Very high0 Ų011 Ų110%06%0.061CC..  trans-67.2132.7170.6-161.40000111.1N5 M187 T189 A209 F216N5-S214 WeakPolarHBondContact CB-O 3.37Å; N5-S214 PolarHBondContact ND2-O 2.76Å; M187-S214 PolarHBondContact O-OG 2.73Å; T189-S214 WeakPolarHBondContact CB-OG 3.49Å; T189-S214 PolarHBondContact N-OG 2.94Å; T189-S214 VanDerWaalsContact OG1-CB 3.31Å; T189-S214 WeakPolarHBondContact OG1-CB 3.44Å; T189-S214 PolarHBondContact OG1-OG 3.47Å; A209-S214 WeakPolarHBondContact O-CB 3.21Å; A209-S214 PolarHBondContact O-N 3.24Å; S214-F216 PolarHBondContact OG-O 3.34Å
215D98.8Very high97.8Very high8 Ų814.4 Ų14.44%0.04310%0.096CC..SBendtrans-81.9-24.8176.8-55.3-55.6000111.2R4 N5 R179 H186 M187 V251 G252R4-D215 VanDerWaalsContact CA-OD1 3.31Å; R4-D215 WeakPolarHBondContact CA-OD1 3.44Å; R4-D215 WeakPolarHBondContact CB-OD1 3.46Å; R4-D215 IonicContact NE-OD2 3.81Å; N5-D215 PolarHBondContact N-OD1 3.19Å; R179-D215 IonicContact CZ-OD1 2.82Å; R179-D215 IonicContact CZ-OD2 3.17Å; R179-D215 IonicContact NH1-OD1 3.99Å; R179-D215 PolarHBondContact NH1-OD1 3.25Å; R179-D215 IonicContact NH1-OD2 3.98Å; R179-D215 PolarHBondContact NH1-OD2 2.9Å; R179-D215 IonicContact NH2-OD1 3.86Å; H186-D215 VanDerWaalsContact CA-OD2 3.24Å; H186-D215 WeakPolarHBondContact CA-OD2 3.38Å; H186-D215 IonicContact CG-OD2 3.19Å; H186-D215 IonicContact ND1-OD2 2.91Å; M187-D215 PolarHBondContact N-OD2 3.16Å; M187-D215 WeakPolarHBondContact O-CB 3.3Å; M187-D215 PolarHBondContact O-N 3.25Å; D215-V251 WeakPolarHBondContact O-CG1 3.49Å; D215-G252 PolarHBondContact O-N 3.26Å
216F98.9Very high97.6Very high2 Ų218.3 Ų18.31%0.00912%0.119CC..EExtended strand (participates in β ladder)trans-140.7139.4175.2-86.9-105.2000111.1M187 K188 T189 S214 G252 K254 H284 R287M187-F216 PolarHBondContact O-N 3.05Å; K188-F216 CarbonylContact C-O 3.45Å; K188-F216 VanDerWaalsContact CA-O 3.27Å; K188-F216 WeakPolarHBondContact CA-O 3.19Å; K188-F216 HydrophobicContact CB-CB 3.75Å; K188-F216 HydrophobicContact CD-CB 4Å; K188-F216 HydrophobicContact CD-CD2 4.47Å; K188-F216 HydrophobicContact CD-CG 4.13Å; K188-F216 HydrophobicContact CG-CB 3.75Å; K188-F216 HydrophobicContact CG-CD2 4.48Å; K188-F216 HydrophobicContact CG-CG 4.26Å; T189-F216 PolarHBondContact N-O 2.94Å; S214-F216 PolarHBondContact OG-O 3.34Å; F216-G252 VanDerWaalsContact CA-O 3.27Å; F216-G252 WeakPolarHBondContact CA-O 3.4Å; F216-G252 VanDerWaalsContact CD1-CA 3.46Å; F216-K254 HydrophobicContact CD1-CB 4.18Å; F216-H284 VanDerWaalsContact CE2-O 3.24Å; F216-H284 WeakPolarHBondContact CE2-O 3.49Å; F216-H284 VanDerWaalsContact CZ-C 3.44Å; F216-H284 VanDerWaalsContact CZ-O 3.27Å; F216-H284 WeakPolarHBondContact CZ-O 3.34Å; F216-R287 HydrophobicContact CD1-CG 4.38Å; F216-R287 HydrophobicContact CE1-CB 4.33Å; F216-R287 HydrophobicContact CE1-CG 3.67Å; F216-R287 HydrophobicContact CZ-CG 3.97Å
217I98.9Very high97.4Very high0 Ų019.5 Ų19.50%013%0.126CC..EExtended strand (participates in β ladder)trans-98132.3161.658.4173000110.1A209 M210 M236 I240 G252 F253 K254A209-I217 HydrophobicContact CB-CG2 3.98Å; M210-I217 HydrophobicContact CG-CG2 3.89Å; M210-I217 HydrophobicContact SD-CD1 4.48Å; I217-M236 HydrophobicContact CB-CE 3.79Å; I217-M236 HydrophobicContact CD1-CB 3.92Å; I217-M236 HydrophobicContact CD1-CE 3.72Å; I217-M236 HydrophobicContact CD1-CG 4.48Å; I217-M236 HydrophobicContact CG1-CE 3.73Å; I217-I240 HydrophobicContact CD1-CD1 3.74Å; I217-I240 HydrophobicContact CD1-CG1 3.65Å; I217-I240 HydrophobicContact CG1-CD1 3.73Å; I217-I240 HydrophobicContact CG1-CG1 4.02Å; I217-G252 PolarHBondContact N-O 2.99Å; I217-F253 HydrophobicContact CG1-CD2 4.44Å; I217-K254 PolarHBondContact O-N 3.18Å
218K98.9Very high97.3Very high6 Ų620.4 Ų20.43%0.02613%0.133CC..EExtended strand (participates in β ladder)trans-117.2136.5-175.8175.5169.8169.1-160.30110.3D155 T189 I190 L191 S220 K254 A256D155-K218 VanDerWaalsContact OD2-CD 3.24Å; D155-K218 WeakPolarHBondContact OD2-CD 3.44Å; D155-K218 WeakPolarHBondContact OD2-CE 3.46Å; D155-K218 IonicContact OD2-NZ 2.62Å; D155-K218 PolarHBondContact OD2-NZ 3.39Å; T189-K218 PolarHBondContact O-N 3.22Å; I190-K218 WeakPolarHBondContact CA-O 3.21Å; I190-K218 HydrophobicContact CD1-CD 4.18Å; I190-K218 HydrophobicContact CG1-CB 4.05Å; I190-K218 HydrophobicContact CG1-CD 3.44Å; I190-K218 VanDerWaalsContact CG1-CD 3.44Å; I190-K218 HydrophobicContact CG1-CG 3.79Å; L191-K218 PolarHBondContact N-O 3.34Å; K218-S220 WeakPolarHBondContact CE-O 3.1Å; K218-K254 VanDerWaalsContact CA-O 3.23Å; K218-K254 WeakPolarHBondContact CA-O 3.32Å; K218-K254 HydrophobicContact CB-CB 4.07Å; K218-K254 HydrophobicContact CB-CG 4.43Å; K218-K254 HydrophobicContact CD-CD 3.75Å; K218-K254 HydrophobicContact CD-CG 4.03Å; K218-K254 HydrophobicContact CG-CB 4.21Å; K218-K254 HydrophobicContact CG-CD 4.3Å; K218-K254 HydrophobicContact CG-CG 4.05Å; K218-K254 WeakPolarHBondContact CG-O 3.41Å; K218-A256 HydrophobicContact CD-CB 4.3Å; K218-A256 VanDerWaalsContact CE-CB 3.44Å; K218-A256 HydrophobicContact CG-CB 4.17Å
219T98.7Very high97.2Very high0 Ų022.7 Ų22.70%015%0.147CC..  trans-65.4-57.7-173.958.80000111.9A192 T193 A228 V232 M236 F253 K254 P255 A256A192-T219 VanDerWaalsContact CA-O 3.3Å; A192-T219 WeakPolarHBondContact CA-O 3.34Å; A192-T219 PolarHBondContact N-O 3.4Å; T193-T219 WeakPolarHBondContact CG2-O 3.25Å; T193-T219 PolarHBondContact N-O 2.92Å; T193-T219 PolarHBondContact OG1-O 3.33Å; T219-A228 HydrophobicContact CG2-CB 4.35Å; T219-A228 WeakPolarHBondContact OG1-CB 3.46Å; T219-V232 HydrophobicContact CG2-CG1 4.36Å; T219-M236 HydrophobicContact CG2-CE 4.38Å; T219-M236 HydrophobicContact CG2-SD 3.67Å; T219-F253 HydrophobicContact CG2-CE2 3.89Å; T219-F253 HydrophobicContact CG2-CZ 3.88Å; T219-K254 PolarHBondContact N-O 3.45Å; T219-K254 VanDerWaalsContact N-O 3.07Å; T219-P255 HydrophobicContact CG2-CB 4.28Å; T219-A256 PolarHBondContact OG1-N 2.95Å; T219-A256 PolarHBondContact OG1-O 3.18Å
220S97.8Very high97.2Very high0 Ų024 Ų240%015%0.152CC..  trans-144.2162-161.6-44.20000111.8I190 K218 G222 N227 A228 A256I190-S220 VanDerWaalsContact CG2-C 3.42Å; K218-S220 WeakPolarHBondContact CE-O 3.1Å; S220-G222 VanDerWaalsContact C-N 3.28Å; S220-N227 WeakPolarHBondContact CB-OD1 3.21Å; S220-N227 VanDerWaalsContact OG-CA 3.25Å; S220-N227 WeakPolarHBondContact OG-CA 3.5Å; S220-A228 PolarHBondContact OG-N 3.46Å; S220-A256 WeakPolarHBondContact CB-O 3.1Å
221T97.4Very high97.2Very high7 Ų725.1 Ų25.14%0.04316%0.159CC..  trans-77.5-20.8174.764.50000111.6F129 P130 V157 I190 K223 E224F129-T221 HydrophobicContact CD2-CG2 4.03Å; F129-T221 HydrophobicContact CE2-CG2 3.73Å; F129-T221 HydrophobicContact CZ-CG2 4.46Å; F129-T221 WeakPolarHBondContact CZ-O 3.24Å; P130-T221 HydrophobicContact CB-CG2 4.1Å; V157-T221 HydrophobicContact CG1-CG2 4.2Å; V157-T221 HydrophobicContact CG2-CG2 3.89Å; I190-T221 HydrophobicContact CD1-CG2 4.4Å; I190-T221 HydrophobicContact CG2-CG2 3.72Å; T221-K223 VanDerWaalsContact C-N 3.3Å; T221-K223 WeakPolarHBondContact OG1-CB 2.77Å; T221-K223 PolarHBondContact OG1-N 3.49Å; T221-E224 WeakPolarHBondContact CB-OE1 3.39Å; T221-E224 VanDerWaalsContact CG2-OE1 3.23Å; T221-E224 WeakPolarHBondContact CG2-OE1 3.33Å; T221-E224 PolarHBondContact N-OE1 3.28Å; T221-E224 PolarHBondContact N-OE2 3.42Å; T221-E224 PolarHBondContact OG1-OE1 3.26Å; T221-E224 PolarHBondContact OG1-OE2 3.32Å
222G95.5Very high97.2Very high35 Ų3525.6 Ų25.636%0.36116%0.162SC..SBendtrans87.13.7-170.200000112.6S220 E224 N227S220-G222 VanDerWaalsContact C-N 3.28Å; G222-E224 PolarHBondContact N-OE2 3.29Å; G222-N227 WeakPolarHBondContact CA-OD1 3.5Å; G222-N227 PolarHBondContact N-OD1 3.33Å; G222-N227 VanDerWaalsContact N-OD1 3.17Å
223K95.3Very high97.2Very high108 Ų10825.3 Ų25.347%0.4716%0.16SC..  trans-113.1-10.9-179.4-54.6-60.4-175.2176.60112.7L59 F129 P130 T221L59-K223 PolarHBondContact O-NZ 2.77Å; F129-K223 HydrophobicContact CE1-CG 4.11Å; F129-K223 HydrophobicContact CZ-CG 4.07Å; P130-K223 HydrophobicContact CB-CB 3.93Å; P130-K223 HydrophobicContact CB-CG 3.85Å; P130-K223 HydrophobicContact CG-CB 4.18Å; P130-K223 HydrophobicContact CG-CG 4.14Å; T221-K223 VanDerWaalsContact C-N 3.3Å; T221-K223 WeakPolarHBondContact OG1-CB 2.77Å; T221-K223 PolarHBondContact OG1-N 3.49Å
224E92.7Very high97.2Very high20 Ų2025.3 Ų25.39%0.09316%0.16CC..SBendtrans-72.1160.8173.6-60.481.4-172.200111.7R160 A192 T221 G222 V226 N227R160-E224 IonicContact CZ-OE1 3.71Å; R160-E224 IonicContact NH2-OE1 3.65Å; R160-E224 PolarHBondContact NH2-OE1 2.8Å; A192-E224 WeakPolarHBondContact CB-OE1 3.49Å; T221-E224 WeakPolarHBondContact CB-OE1 3.39Å; T221-E224 VanDerWaalsContact CG2-OE1 3.23Å; T221-E224 WeakPolarHBondContact CG2-OE1 3.33Å; T221-E224 PolarHBondContact N-OE1 3.28Å; T221-E224 PolarHBondContact N-OE2 3.42Å; T221-E224 PolarHBondContact OG1-OE1 3.26Å; T221-E224 PolarHBondContact OG1-OE2 3.32Å; G222-E224 PolarHBondContact N-OE2 3.29Å; E224-V226 WeakPolarHBondContact CB-O 2.93Å; E224-N227 PolarHBondContact O-ND2 3.33Å; E224-N227 PolarHBondContact OE2-OD1 2.96Å; E224-N227 VanDerWaalsContact OE2-OD1 3.11Å
225A93.3Very high97.2Very high110 Ų11025.4 Ų25.491%0.90916%0.16SC*.SBendtrans-66.3-41.1171.900000111.8
226V94.3Very high97.2Very high82 Ų8225 Ų2550%0.49716%0.158SC..SBendtrans-111.2116.8175-1780000108.8G194 E224 T229G194-V226 WeakPolarHBondContact CA-O 3.49Å; E224-V226 WeakPolarHBondContact CB-O 2.93Å; V226-T229 HydrophobicContact CG1-CG2 4.04Å
227N95.2Very high97.2Very high25 Ų2524.9 Ų24.913%0.13416%0.158CC..  trans-105-138.7-179-70.1-80.5000111.2S220 G222 E224 T229 G257S220-N227 WeakPolarHBondContact CB-OD1 3.21Å; S220-N227 VanDerWaalsContact OG-CA 3.25Å; S220-N227 WeakPolarHBondContact OG-CA 3.5Å; G222-N227 WeakPolarHBondContact CA-OD1 3.5Å; G222-N227 PolarHBondContact N-OD1 3.33Å; G222-N227 VanDerWaalsContact N-OD1 3.17Å; E224-N227 PolarHBondContact O-ND2 3.33Å; E224-N227 PolarHBondContact OE2-OD1 2.96Å; E224-N227 VanDerWaalsContact OE2-OD1 3.11Å; N227-T229 PolarHBondContact O-N 3.02Å; N227-G257 WeakPolarHBondContact CB-O 3.46Å
228A96Very high97.2Very high18 Ų1828 Ų2815%0.14917%0.169CC..  trans-59.8127.3176.500000111.3T219 S220 P255 A256 W268T219-A228 HydrophobicContact CG2-CB 4.35Å; T219-A228 WeakPolarHBondContact OG1-CB 3.46Å; S220-A228 PolarHBondContact OG-N 3.46Å; A228-P255 HydrophobicContact CB-CB 3.95Å; A228-A256 WeakPolarHBondContact CB-O 3.47Å; A228-A256 PolarHBondContact N-O 2.95Å; A228-W268 HydrophobicContact CB-CH2 3.95Å; A228-W268 HydrophobicContact CB-CZ2 3.83Å
229T98.1Very high97.2Very high48 Ų4827.7 Ų27.729%0.29417%0.168SC..  trans-130.2152.6169.968.70000109.5V226 N227 V232 A233V226-T229 HydrophobicContact CG1-CG2 4.04Å; N227-T229 PolarHBondContact O-N 3.02Å; T229-V232 PolarHBondContact O-N 3.47Å; T229-V232 WeakPolarHBondContact OG1-CB 3.38Å; T229-V232 WeakPolarHBondContact OG1-CG2 3.49Å; T229-V232 PolarHBondContact OG1-N 3.27Å; T229-A233 WeakPolarHBondContact O-CB 3.32Å; T229-A233 PolarHBondContact O-N 2.97Å
230Y98.3Very high97.2Very high27 Ų2727.7 Ų27.711%0.10617%0.168CC..Hα-helixtrans-60.9-40.8179.7-56-68.8000113.3Q33 V232 A233 I234 V267 W268 L271Q33-Y230 HydrophobicContact CG-CD2 3.52Å; Q33-Y230 HydrophobicContact CG-CE2 3.79Å; Q33-Y230 HydrophobicContact CG-CG 4Å; Q33-Y230 VanDerWaalsContact NE2-CD2 3.34Å; Y230-V232 PolarHBondContact O-N 2.97Å; Y230-A233 WeakPolarHBondContact O-CB 3.5Å; Y230-A233 PolarHBondContact O-N 3.38Å; Y230-I234 WeakPolarHBondContact O-CG1 3.5Å; Y230-I234 PolarHBondContact O-N 3.34Å; Y230-V267 HydrophobicContact CD1-CG1 4.08Å; Y230-V267 HydrophobicContact CE1-CB 4.04Å; Y230-V267 HydrophobicContact CE1-CG1 3.44Å; Y230-V267 VanDerWaalsContact CE1-CG1 3.44Å; Y230-V267 HydrophobicContact CE2-CG1 4.36Å; Y230-W268 HydrophobicContact CD1-CD2 4.29Å; Y230-W268 HydrophobicContact CD1-CE3 4.35Å; Y230-W268 HydrophobicContact CD1-CH2 4.15Å; Y230-W268 HydrophobicContact CD1-CZ2 4.08Å; Y230-W268 HydrophobicContact CD1-CZ3 4.31Å; Y230-W268 AromaticContact CE1-CD2 3.82Å; Y230-W268 HydrophobicContact CE1-CD2 3.82Å; Y230-W268 AromaticContact CE1-CE2 3.62Å; Y230-W268 HydrophobicContact CE1-CE3 4.31Å; Y230-W268 HydrophobicContact CE1-CG 4.2Å; Y230-W268 HydrophobicContact CE1-CH2 4.42Å; Y230-W268 AromaticContact CE1-CZ2 3.93Å; Y230-W268 HydrophobicContact CE1-CZ2 3.93Å; Y230-W268 AromaticContact CE1-NE1 3.86Å; Y230-L271 HydrophobicContact CD1-CD1 3.99Å
231P98.6Very high97.2Very high24 Ų2431.9 Ų31.916%0.15618%0.184CC..Hα-helixtrans-58.4-44.9174.3-2736.7000113.4V25 L26 A29 F199 A233 I234 V235V25-P231 HydrophobicContact CG1-CB 3.97Å; V25-P231 VanDerWaalsContact CG1-O 3.28Å; V25-P231 WeakPolarHBondContact CG1-O 3.49Å; L26-P231 HydrophobicContact CD2-CB 4.08Å; L26-P231 HydrophobicContact CD2-CG 3.93Å; A29-P231 HydrophobicContact CB-CB 4.35Å; A29-P231 HydrophobicContact CB-CG 3.77Å; F199-P231 HydrophobicContact CE1-CB 3.98Å; F199-P231 HydrophobicContact CE2-CB 4.36Å; F199-P231 HydrophobicContact CZ-CB 3.48Å; F199-P231 VanDerWaalsContact CZ-CB 3.48Å; P231-A233 VanDerWaalsContact C-N 3.31Å; P231-A233 PolarHBondContact O-N 2.92Å; P231-I234 PolarHBondContact O-N 2.89Å; P231-V235 WeakPolarHBondContact O-CG2 3.27Å; P231-V235 PolarHBondContact O-N 3.39Å
232V98.4Very high97.3Very high11 Ų1133.9 Ų33.97%0.06719%0.194CC..Hα-helixtrans-60.7-43.6175.3167.30000110.8T193 F199 I202 T219 T229 Y230 I234 V235 M236T193-V232 HydrophobicContact CG2-CG1 3.65Å; T193-V232 WeakPolarHBondContact OG1-CG1 3.36Å; F199-V232 HydrophobicContact CE1-CG2 4.09Å; I202-V232 HydrophobicContact CD1-CG1 4.38Å; I202-V232 HydrophobicContact CD1-CG2 3.92Å; I202-V232 HydrophobicContact CG2-CG1 4.3Å; T219-V232 HydrophobicContact CG2-CG1 4.36Å; T229-V232 PolarHBondContact O-N 3.47Å; T229-V232 WeakPolarHBondContact OG1-CB 3.38Å; T229-V232 WeakPolarHBondContact OG1-CG2 3.49Å; T229-V232 PolarHBondContact OG1-N 3.27Å; Y230-V232 PolarHBondContact O-N 2.97Å; V232-I234 PolarHBondContact O-N 3.45Å; V232-V235 WeakPolarHBondContact O-CB 3.39Å; V232-V235 PolarHBondContact O-N 3.21Å; V232-V235 VanDerWaalsContact O-N 3.16Å; V232-M236 HydrophobicContact CG1-CG 4.43Å; V232-M236 HydrophobicContact CG1-SD 3.93Å; V232-M236 WeakPolarHBondContact O-CG 3.38Å; V232-M236 PolarHBondContact O-N 3.38Å
233A98.5Very high97.4Very high0 Ų032.2 Ų32.20%018%0.177CC..Hα-helixtrans-59.9-45.9178.100000112.3T229 Y230 P231 V235 M236 V237 F253 W268 L271T229-A233 WeakPolarHBondContact O-CB 3.32Å; T229-A233 PolarHBondContact O-N 2.97Å; Y230-A233 WeakPolarHBondContact O-CB 3.5Å; Y230-A233 PolarHBondContact O-N 3.38Å; P231-A233 VanDerWaalsContact C-N 3.31Å; P231-A233 PolarHBondContact O-N 2.92Å; A233-V235 PolarHBondContact O-N 3.43Å; A233-M236 PolarHBondContact O-N 2.82Å; A233-M236 VanDerWaalsContact O-N 3.11Å; A233-V237 WeakPolarHBondContact O-CG1 3.39Å; A233-V237 VanDerWaalsContact O-CG2 3.27Å; A233-V237 WeakPolarHBondContact O-CG2 3.14Å; A233-V237 PolarHBondContact O-N 3.45Å; A233-F253 HydrophobicContact CB-CE1 4.09Å; A233-F253 HydrophobicContact CB-CZ 3.64Å; A233-W268 HydrophobicContact CB-CE3 4.43Å; A233-W268 HydrophobicContact CB-CH2 3.76Å; A233-W268 HydrophobicContact CB-CZ3 3.32Å; A233-L271 HydrophobicContact CB-CD1 3.87Å; A233-L271 HydrophobicContact CB-CD2 4.28Å
234I98.8Very high97.6Very high0 Ų030.1 Ų30.10%017%0.168CC..Hα-helixtrans-55.1-39.9175.9-66.4-58.1000111.5V25 R28 A29 I32 Y230 P231 V232 V237 R238 L271 E275V25-I234 HydrophobicContact CG1-CB 4.29Å; V25-I234 HydrophobicContact CG1-CG2 4.28Å; V25-I234 HydrophobicContact CG2-CG2 4.49Å; R28-I234 HydrophobicContact CB-CG2 4.49Å; R28-I234 HydrophobicContact CG-CD1 4.04Å; R28-I234 HydrophobicContact CG-CG1 4.38Å; R28-I234 HydrophobicContact CG-CG2 4.35Å; A29-I234 HydrophobicContact CB-CG1 4.4Å; I32-I234 HydrophobicContact CD1-CD1 3.55Å; Y230-I234 WeakPolarHBondContact O-CG1 3.5Å; Y230-I234 PolarHBondContact O-N 3.34Å; P231-I234 PolarHBondContact O-N 2.89Å; V232-I234 PolarHBondContact O-N 3.45Å; I234-V237 WeakPolarHBondContact O-CG2 3.32Å; I234-R238 VanDerWaalsContact O-CB 3.32Å; I234-R238 WeakPolarHBondContact O-CB 3.21Å; I234-R238 WeakPolarHBondContact O-CD 3.15Å; I234-R238 WeakPolarHBondContact O-CG 3.45Å; I234-R238 PolarHBondContact O-N 3.01Å; I234-R238 VanDerWaalsContact O-N 3.15Å; I234-L271 HydrophobicContact CD1-CD1 3.78Å; I234-L271 HydrophobicContact CD1-CD2 4.27Å; I234-L271 HydrophobicContact CD1-CG 3.83Å; I234-L271 HydrophobicContact CG1-CD1 4.25Å; I234-E275 HydrophobicContact CD1-CG 3.77Å
235V98.9Very high97.8Very high2 Ų235.2 Ų35.21%0.01220%0.196CC..Hα-helixtrans-65.4-48.91771770000111.1V20 V25 F199 I202 Y203 P231 V232 A233 R238 A239V20-V235 HydrophobicContact CG1-CG2 4.22Å; V25-V235 HydrophobicContact CG1-CG2 3.9Å; V25-V235 HydrophobicContact CG2-CG2 4.01Å; F199-V235 HydrophobicContact CB-CG2 3.78Å; F199-V235 HydrophobicContact CD1-CG2 3.85Å; F199-V235 HydrophobicContact CD2-CG2 4.38Å; F199-V235 HydrophobicContact CG-CG2 3.77Å; F199-V235 WeakPolarHBondContact O-CG1 3.38Å; I202-V235 HydrophobicContact CB-CG1 4.3Å; I202-V235 HydrophobicContact CG2-CB 4.4Å; I202-V235 HydrophobicContact CG2-CG1 3.97Å; Y203-V235 HydrophobicContact CD2-CG1 4.16Å; Y203-V235 HydrophobicContact CG-CG1 4.43Å; P231-V235 WeakPolarHBondContact O-CG2 3.27Å; P231-V235 PolarHBondContact O-N 3.39Å; V232-V235 WeakPolarHBondContact O-CB 3.39Å; V232-V235 PolarHBondContact O-N 3.21Å; V232-V235 VanDerWaalsContact O-N 3.16Å; A233-V235 PolarHBondContact O-N 3.43Å; V235-R238 PolarHBondContact O-N 3.36Å; V235-A239 PolarHBondContact O-N 3.13Å
236M98.9Very high98Very high0 Ų036.7 Ų36.70%018%0.178CC..Hα-helixtrans-67.9-42.2-176.9-67.1-17866.700112.7L191 T193 I202 I217 T219 V232 A233 R238 A239 I240 F253L191-M236 HydrophobicContact CD1-CE 3.67Å; L191-M236 HydrophobicContact CD1-SD 4.35Å; L191-M236 HydrophobicContact CG-CE 4.28Å; T193-M236 HydrophobicContact CG2-SD 3.73Å; I202-M236 HydrophobicContact CG2-CG 3.65Å; I202-M236 HydrophobicContact CG2-SD 4.29Å; I217-M236 HydrophobicContact CB-CE 3.79Å; I217-M236 HydrophobicContact CD1-CB 3.92Å; I217-M236 HydrophobicContact CD1-CE 3.72Å; I217-M236 HydrophobicContact CD1-CG 4.48Å; I217-M236 HydrophobicContact CG1-CE 3.73Å; T219-M236 HydrophobicContact CG2-CE 4.38Å; T219-M236 HydrophobicContact CG2-SD 3.67Å; V232-M236 HydrophobicContact CG1-CG 4.43Å; V232-M236 HydrophobicContact CG1-SD 3.93Å; V232-M236 WeakPolarHBondContact O-CG 3.38Å; V232-M236 PolarHBondContact O-N 3.38Å; A233-M236 PolarHBondContact O-N 2.82Å; A233-M236 VanDerWaalsContact O-N 3.11Å; M236-R238 VanDerWaalsContact C-N 3.32Å; M236-R238 PolarHBondContact O-N 3.41Å; M236-A239 WeakPolarHBondContact O-CB 3.49Å; M236-A239 PolarHBondContact O-N 3.27Å; M236-I240 WeakPolarHBondContact O-CG1 3.5Å; M236-I240 PolarHBondContact O-N 3.36Å; M236-F253 HydrophobicContact CB-CD2 4.15Å; M236-F253 HydrophobicContact CB-CE2 3.71Å; M236-F253 HydrophobicContact CE-CD2 4.38Å; M236-F253 HydrophobicContact CE-CE2 4.03Å; M236-F253 HydrophobicContact CG-CE2 4.44Å; M236-F253 HydrophobicContact SD-CE2 3.98Å
237V98.8Very high98.2Very high0 Ų034.6 Ų34.60%017%0.165CC..Hα-helixtrans-68.7-32.2177.9-58.40000111.7A233 I234 I240 R241 F253 L271 I272 E275 L276A233-V237 WeakPolarHBondContact O-CG1 3.39Å; A233-V237 VanDerWaalsContact O-CG2 3.27Å; A233-V237 WeakPolarHBondContact O-CG2 3.14Å; A233-V237 PolarHBondContact O-N 3.45Å; I234-V237 WeakPolarHBondContact O-CG2 3.32Å; V237-I240 WeakPolarHBondContact O-CB 3.38Å; V237-I240 PolarHBondContact O-N 3.21Å; V237-R241 PolarHBondContact O-N 2.72Å; V237-F253 HydrophobicContact CG1-CB 4.5Å; V237-F253 HydrophobicContact CG1-CD1 3.87Å; V237-F253 HydrophobicContact CG1-CD2 4.17Å; V237-F253 HydrophobicContact CG1-CE1 4.03Å; V237-F253 HydrophobicContact CG1-CE2 4.38Å; V237-F253 HydrophobicContact CG1-CG 3.92Å; V237-F253 HydrophobicContact CG1-CZ 4.31Å; V237-L271 HydrophobicContact CG1-CD2 3.96Å; V237-L271 HydrophobicContact CG2-CD2 4.12Å; V237-I272 HydrophobicContact CG1-CD1 3.76Å; V237-E275 HydrophobicContact CB-CB 4.33Å; V237-E275 HydrophobicContact CG2-CB 3.58Å; V237-E275 HydrophobicContact CG2-CG 3.74Å; V237-L276 HydrophobicContact CB-CD1 3.87Å; V237-L276 HydrophobicContact CB-CG 4.11Å; V237-L276 HydrophobicContact CG1-CD1 4.06Å; V237-L276 WeakPolarHBondContact O-CD2 3.48Å
238R98.7Very high98.3Very high64 Ų6435.8 Ų35.824%0.24218%0.183CC..Hα-helixtrans-67.4-40.4171.3-73.8175178-174.7-1.7111.7I234 V235 M236 I240 R241 D242 E275I234-R238 VanDerWaalsContact O-CB 3.32Å; I234-R238 WeakPolarHBondContact O-CB 3.21Å; I234-R238 WeakPolarHBondContact O-CD 3.15Å; I234-R238 WeakPolarHBondContact O-CG 3.45Å; I234-R238 PolarHBondContact O-N 3.01Å; I234-R238 VanDerWaalsContact O-N 3.15Å; V235-R238 PolarHBondContact O-N 3.36Å; M236-R238 VanDerWaalsContact C-N 3.32Å; M236-R238 PolarHBondContact O-N 3.41Å; R238-I240 VanDerWaalsContact C-N 3.31Å; R238-I240 PolarHBondContact O-N 2.94Å; R238-R241 WeakPolarHBondContact O-CB 3.42Å; R238-R241 PolarHBondContact O-N 2.9Å; R238-D242 WeakPolarHBondContact O-CB 3.35Å; R238-D242 PolarHBondContact O-N 3.28Å; R238-E275 IonicContact NE-OE2 2.72Å; R238-E275 PolarHBondContact NE-OE2 3.33Å; R238-E275 IonicContact NH2-OE2 3.33Å
239A98.8Very high98.3Very high0 Ų038.3 Ų38.30%019%0.192CC..Hα-helixtrans-57.6-45.5171.500000111.2Y203 M207 M210 V235 M236 R241 D242 Y243Y203-A239 HydrophobicContact CD2-CB 3.76Å; Y203-A239 HydrophobicContact CE1-CB 4.47Å; Y203-A239 HydrophobicContact CE2-CB 3.68Å; Y203-A239 HydrophobicContact CG-CB 4.23Å; M207-A239 HydrophobicContact SD-CB 3.9Å; M210-A239 HydrophobicContact CE-CB 4.04Å; V235-A239 PolarHBondContact O-N 3.13Å; M236-A239 WeakPolarHBondContact O-CB 3.49Å; M236-A239 PolarHBondContact O-N 3.27Å; A239-R241 VanDerWaalsContact C-N 3.35Å; A239-R241 PolarHBondContact O-N 2.85Å; A239-D242 PolarHBondContact O-N 2.89Å; A239-Y243 WeakPolarHBondContact O-CB 3.44Å; A239-Y243 PolarHBondContact O-N 3.43Å
240I98.9Very high98.3Very high0 Ų039.1 Ų39.10%019%0.191CC..Hα-helixtrans-58-46.6175-71.5164.1000111.3M210 I217 M236 V237 R238 Y243 F244 V251 F253 L276 W280M210-I240 HydrophobicContact SD-CB 4.44Å; M210-I240 HydrophobicContact SD-CG1 3.81Å; I217-I240 HydrophobicContact CD1-CD1 3.74Å; I217-I240 HydrophobicContact CD1-CG1 3.65Å; I217-I240 HydrophobicContact CG1-CD1 3.73Å; I217-I240 HydrophobicContact CG1-CG1 4.02Å; M236-I240 WeakPolarHBondContact O-CG1 3.5Å; M236-I240 PolarHBondContact O-N 3.36Å; V237-I240 WeakPolarHBondContact O-CB 3.38Å; V237-I240 PolarHBondContact O-N 3.21Å; R238-I240 VanDerWaalsContact C-N 3.31Å; R238-I240 PolarHBondContact O-N 2.94Å; I240-Y243 PolarHBondContact O-N 3.07Å; I240-F244 WeakPolarHBondContact O-CB 3.21Å; I240-F244 PolarHBondContact O-N 3.34Å; I240-V251 HydrophobicContact CG1-CB 4.5Å; I240-V251 WeakPolarHBondContact CG2-O 3.44Å; I240-F253 HydrophobicContact CD1-CB 3.66Å; I240-F253 HydrophobicContact CD1-CD2 4.21Å; I240-F253 HydrophobicContact CD1-CG 4.32Å; I240-L276 HydrophobicContact CB-CD2 4.45Å; I240-L276 HydrophobicContact CG2-CD1 4.1Å; I240-L276 HydrophobicContact CG2-CD2 4.03Å; I240-W280 HydrophobicContact CG2-CZ2 4.23Å
241R98.7Very high98.3Very high88 Ų8837.9 Ų37.933%0.33219%0.186SC..Hα-helixtrans-60.4-48.5178.6-174.2-179.163.8-157.7-0111.3V237 R238 A239 Y243 F244 L245 E275 L276V237-R241 PolarHBondContact O-N 2.72Å; R238-R241 WeakPolarHBondContact O-CB 3.42Å; R238-R241 PolarHBondContact O-N 2.9Å; A239-R241 VanDerWaalsContact C-N 3.35Å; A239-R241 PolarHBondContact O-N 2.85Å; R241-Y243 VanDerWaalsContact C-N 3.29Å; R241-Y243 PolarHBondContact O-N 2.88Å; R241-F244 PolarHBondContact O-N 3.24Å; R241-L245 HydrophobicContact CG-CD1 4.09Å; R241-L245 HydrophobicContact CG-CG 4.41Å; R241-L245 WeakPolarHBondContact O-CB 3.43Å; R241-L245 VanDerWaalsContact O-CG 3.28Å; R241-L245 WeakPolarHBondContact O-CG 3.47Å; R241-L245 PolarHBondContact O-N 3.25Å; R241-E275 IonicContact NH1-OE2 2.82Å; R241-L276 HydrophobicContact CB-CD2 3.81Å
242D98.5Very high98.3Very high49 Ų4936.7 Ų36.726%0.26218%0.179SC..Hα-helixtrans-65.4-36.8-178.4-59.9-17.7000110.8Y203 R238 A239 R246Y203-D242 WeakPolarHBondContact OH-CB 3.24Å; Y203-D242 PolarHBondContact OH-OD2 3.41Å; R238-D242 WeakPolarHBondContact O-CB 3.35Å; R238-D242 PolarHBondContact O-N 3.28Å; A239-D242 PolarHBondContact O-N 2.89Å; D242-R246 PolarHBondContact O-N 3.45Å
243Y98.6Very high98.3Very high0 Ų036.2 Ų36.20%018%0.176CC..Hα-helixtrans-61.4-52.3171.7-172.5-96.8000111.7N5 W14 M207 M210 M211 A239 I240 R241 L245 R246 T247 H249 V251N5-Y243 PolarHBondContact OD1-OH 3.22Å; W14-Y243 HydrophobicContact CH2-CD2 4.08Å; W14-Y243 HydrophobicContact CZ3-CD2 4.15Å; M207-Y243 HydrophobicContact CE-CD2 3.89Å; M210-Y243 HydrophobicContact CB-CD1 4.25Å; M210-Y243 HydrophobicContact CB-CD2 3.85Å; M210-Y243 HydrophobicContact CB-CE1 4.23Å; M210-Y243 HydrophobicContact CB-CE2 3.84Å; M210-Y243 HydrophobicContact CB-CG 4.06Å; M210-Y243 HydrophobicContact CE-CD2 4.39Å; M210-Y243 HydrophobicContact CE-CG 4.09Å; M210-Y243 PolarHBondContact O-OH 2.95Å; M210-Y243 HydrophobicContact SD-CD1 4.22Å; M210-Y243 HydrophobicContact SD-CG 4.02Å; M211-Y243 HydrophobicContact CG-CE2 4.18Å; A239-Y243 WeakPolarHBondContact O-CB 3.44Å; A239-Y243 PolarHBondContact O-N 3.43Å; I240-Y243 PolarHBondContact O-N 3.07Å; R241-Y243 VanDerWaalsContact C-N 3.29Å; R241-Y243 PolarHBondContact O-N 2.88Å; Y243-L245 VanDerWaalsContact C-N 3.35Å; Y243-L245 PolarHBondContact O-N 3Å; Y243-R246 PolarHBondContact O-N 2.99Å; Y243-R246 VanDerWaalsContact O-N 3.1Å; Y243-T247 HydrophobicContact CD1-CG2 4.45Å; Y243-T247 HydrophobicContact CD2-CG2 4.13Å; Y243-T247 HydrophobicContact CE1-CG2 4.19Å; Y243-T247 WeakPolarHBondContact CE1-OG1 3.43Å; Y243-T247 HydrophobicContact CE2-CG2 3.83Å; Y243-T247 HydrophobicContact CG-CG2 4.43Å; Y243-T247 PolarHBondContact O-N 2.65Å; Y243-T247 PolarHBondContact O-OG1 3.33Å; Y243-H249 HydrophobicContact CE1-CB 4.08Å; Y243-V251 HydrophobicContact CD1-CG2 3.92Å; Y243-V251 HydrophobicContact CE1-CG2 3.9Å
244F98.4Very high98.4Very high64 Ų6436.2 Ų36.228%0.28118%0.176SC..Hα-helixtrans-58.7-43.2178.1171.5-112.4000112.5I240 R241 R246 G248 K250 W280I240-F244 WeakPolarHBondContact O-CB 3.21Å; I240-F244 PolarHBondContact O-N 3.34Å; R241-F244 PolarHBondContact O-N 3.24Å; F244-R246 PolarHBondContact O-N 3.48Å; F244-G248 WeakPolarHBondContact CE2-O 3.41Å; F244-G248 VanDerWaalsContact O-CA 3.26Å; F244-G248 WeakPolarHBondContact O-CA 3.28Å; F244-G248 PolarHBondContact O-N 3.3Å; F244-K250 HydrophobicContact CD2-CG 3.71Å; F244-K250 HydrophobicContact CE2-CG 3.7Å; F244-W280 AromaticContact CD1-CH2 3.98Å; F244-W280 HydrophobicContact CD1-CH2 3.98Å; F244-W280 HydrophobicContact CD2-CH2 4.28Å; F244-W280 HydrophobicContact CE1-CH2 4.26Å; F244-W280 AromaticContact CG-CH2 3.99Å; F244-W280 HydrophobicContact CG-CH2 3.99Å; F244-W280 HydrophobicContact CG-CZ2 4.45Å
245L97.9Very high98.3Very high128 Ų12836.2 Ų36.267%0.6718%0.176SC*.Hα-helixtrans-62.9-29.4178.1-72.6174.3000112.8R241 Y243R241-L245 HydrophobicContact CG-CD1 4.09Å; R241-L245 HydrophobicContact CG-CG 4.41Å; R241-L245 WeakPolarHBondContact O-CB 3.43Å; R241-L245 VanDerWaalsContact O-CG 3.28Å; R241-L245 WeakPolarHBondContact O-CG 3.47Å; R241-L245 PolarHBondContact O-N 3.25Å; Y243-L245 VanDerWaalsContact C-N 3.35Å; Y243-L245 PolarHBondContact O-N 3Å
246R97.3Very high98.3Very high141 Ų14136.3 Ų36.353%0.53218%0.177SC..Hα-helixtrans-88.3-38179.9-166.9177.7-177.3-168.4-5.3113.1D11 W14 D242 Y243 F244D11-R246 IonicContact OD2-CZ 3.61Å; D11-R246 IonicContact OD2-NH1 3.52Å; D11-R246 PolarHBondContact OD2-NH1 3.15Å; D11-R246 IonicContact OD2-NH2 3.73Å; D11-R246 PolarHBondContact OD2-NH2 3.41Å; W14-R246 HydrophobicContact CH2-CB 3.77Å; W14-R246 HydrophobicContact CH2-CG 4.13Å; W14-R246 HydrophobicContact CZ2-CB 4.26Å; D242-R246 PolarHBondContact O-N 3.45Å; Y243-R246 PolarHBondContact O-N 2.99Å; Y243-R246 VanDerWaalsContact O-N 3.1Å; F244-R246 PolarHBondContact O-N 3.48Å
247T97.6Very high98Very high38 Ų3837 Ų3723%0.23318%0.183CC..Hα-helixtrans-108.4-18.5-169.868.30000113.8T8 Y243 H249T8-T247 HydrophobicContact CG2-CG2 3.92Å; Y243-T247 HydrophobicContact CD1-CG2 4.45Å; Y243-T247 HydrophobicContact CD2-CG2 4.13Å; Y243-T247 HydrophobicContact CE1-CG2 4.19Å; Y243-T247 WeakPolarHBondContact CE1-OG1 3.43Å; Y243-T247 HydrophobicContact CE2-CG2 3.83Å; Y243-T247 HydrophobicContact CG-CG2 4.43Å; Y243-T247 PolarHBondContact O-N 2.65Å; Y243-T247 PolarHBondContact O-OG1 3.33Å; T247-H249 PolarHBondContact O-N 3.34Å; T247-H249 PolarHBondContact OG1-N 3.3Å; T247-H249 VanDerWaalsContact OG1-N 3.15Å
248G96.9Very high97.5Very high50 Ų5038.7 Ų38.752%0.51520%0.201SC..  trans75.1-1.3-170.100000114.3F244F244-G248 WeakPolarHBondContact CE2-O 3.41Å; F244-G248 VanDerWaalsContact O-CA 3.26Å; F244-G248 WeakPolarHBondContact O-CA 3.28Å; F244-G248 PolarHBondContact O-N 3.3Å
249H96.9Very high97.4Very high71 Ų7136 Ų3633%0.32919%0.191SC..  trans-94.2127.3-178-61.6-52.1000112P6 Y243 T247P6-H249 WeakPolarHBondContact CG-NE2 3.39Å; Y243-H249 HydrophobicContact CE1-CB 4.08Å; T247-H249 PolarHBondContact O-N 3.34Å; T247-H249 PolarHBondContact OG1-N 3.3Å; T247-H249 VanDerWaalsContact OG1-N 3.15Å
250K97.6Very high97.3Very high65 Ų6543.5 Ų43.528%0.28322%0.22SC..  trans-84.3126.1176.1-61.1-170172.6172.40110F244 D279 W280 L285F244-K250 HydrophobicContact CD2-CG 3.71Å; F244-K250 HydrophobicContact CE2-CG 3.7Å; K250-D279 IonicContact NZ-OD2 3.94Å; K250-D279 PolarHBondContact NZ-OD2 3.39Å; K250-W280 HydrophobicContact CB-CH2 4.11Å; K250-W280 HydrophobicContact CB-CZ2 3.65Å; K250-W280 HydrophobicContact CD-CH2 3.49Å; K250-W280 VanDerWaalsContact CD-CH2 3.49Å; K250-W280 HydrophobicContact CD-CZ2 3.83Å; K250-W280 HydrophobicContact CD-CZ3 3.86Å; K250-W280 HydrophobicContact CG-CH2 3.46Å; K250-W280 VanDerWaalsContact CG-CH2 3.46Å; K250-W280 HydrophobicContact CG-CZ2 3.55Å; K250-W280 HydrophobicContact CG-CZ3 4.33Å; K250-L285 HydrophobicContact CB-CD1 4.2Å; K250-L285 HydrophobicContact CB-CD2 3.74Å; K250-L285 HydrophobicContact CD-CD1 3.8Å
251V98.7Very high97.2Very high0 Ų046.1 Ų46.10%024%0.236CC..  trans-111.3140.2172.8177.70000109N5 M210 D215 I240 Y243 W280N5-V251 HydrophobicContact CB-CG2 4.26Å; M210-V251 HydrophobicContact CB-CG2 4.35Å; M210-V251 HydrophobicContact CG-CB 4.2Å; M210-V251 HydrophobicContact CG-CG1 3.84Å; M210-V251 HydrophobicContact CG-CG2 3.93Å; M210-V251 HydrophobicContact SD-CB 3.78Å; M210-V251 HydrophobicContact SD-CG1 3.86Å; M210-V251 HydrophobicContact SD-CG2 3.86Å; D215-V251 WeakPolarHBondContact O-CG1 3.49Å; I240-V251 HydrophobicContact CG1-CB 4.5Å; I240-V251 WeakPolarHBondContact CG2-O 3.44Å; Y243-V251 HydrophobicContact CD1-CG2 3.92Å; Y243-V251 HydrophobicContact CE1-CG2 3.9Å; V251-W280 PolarHBondContact O-NE1 3.01Å
252G98.8Very high97.1Very high0 Ų042.1 Ų42.10%022%0.221CC..EExtended strand (participates in β ladder)trans-79.1159.6178.900000114.3D215 F216 I217 L285D215-G252 PolarHBondContact O-N 3.26Å; F216-G252 VanDerWaalsContact CA-O 3.27Å; F216-G252 WeakPolarHBondContact CA-O 3.4Å; F216-G252 VanDerWaalsContact CD1-CA 3.46Å; I217-G252 PolarHBondContact N-O 2.99Å; G252-L285 CarbonylContact C-O 3.58Å; G252-L285 WeakPolarHBondContact CA-O 3.4Å
253F98.9Very high97Very high0 Ų046 Ų460%024%0.238CC..EExtended strand (participates in β ladder)trans-119.2134.1175.7-179.8-115.7000111.2I217 T219 A233 M236 V237 I240 P255 W268 I272 L285 F286 R287I217-F253 HydrophobicContact CG1-CD2 4.44Å; T219-F253 HydrophobicContact CG2-CE2 3.89Å; T219-F253 HydrophobicContact CG2-CZ 3.88Å; A233-F253 HydrophobicContact CB-CE1 4.09Å; A233-F253 HydrophobicContact CB-CZ 3.64Å; M236-F253 HydrophobicContact CB-CD2 4.15Å; M236-F253 HydrophobicContact CB-CE2 3.71Å; M236-F253 HydrophobicContact CE-CD2 4.38Å; M236-F253 HydrophobicContact CE-CE2 4.03Å; M236-F253 HydrophobicContact CG-CE2 4.44Å; M236-F253 HydrophobicContact SD-CE2 3.98Å; V237-F253 HydrophobicContact CG1-CB 4.5Å; V237-F253 HydrophobicContact CG1-CD1 3.87Å; V237-F253 HydrophobicContact CG1-CD2 4.17Å; V237-F253 HydrophobicContact CG1-CE1 4.03Å; V237-F253 HydrophobicContact CG1-CE2 4.38Å; V237-F253 HydrophobicContact CG1-CG 3.92Å; V237-F253 HydrophobicContact CG1-CZ 4.31Å; I240-F253 HydrophobicContact CD1-CB 3.66Å; I240-F253 HydrophobicContact CD1-CD2 4.21Å; I240-F253 HydrophobicContact CD1-CG 4.32Å; F253-P255 HydrophobicContact CD1-CG 4.39Å; F253-P255 HydrophobicContact CE1-CB 3.98Å; F253-P255 VanDerWaalsContact CE1-CD 3.41Å; F253-P255 HydrophobicContact CE1-CG 3.88Å; F253-P255 HydrophobicContact CZ-CB 4.09Å; F253-P255 HydrophobicContact CZ-CG 4.46Å; F253-W268 HydrophobicContact CE1-CE3 4.32Å; F253-W268 AromaticContact CE1-CZ3 3.93Å; F253-W268 HydrophobicContact CE1-CZ3 3.93Å; F253-W268 HydrophobicContact CZ-CZ3 4.19Å; F253-I272 HydrophobicContact CB-CD1 4.44Å; F253-I272 HydrophobicContact CD1-CD1 3.38Å; F253-I272 HydrophobicContact CE1-CD1 3.96Å; F253-I272 HydrophobicContact CG-CD1 4.26Å; F253-L285 PolarHBondContact N-O 3.01Å; F253-F286 HydrophobicContact CD1-CD2 4.08Å; F253-F286 AromaticContact CD1-CE2 3.97Å; F253-F286 HydrophobicContact CD1-CE2 3.97Å; F253-F286 HydrophobicContact CE1-CE2 4.48Å; F253-F286 WeakPolarHBondContact O-CA 3.4Å; F253-F286 WeakPolarHBondContact O-CD2 3.45Å; F253-R287 PolarHBondContact O-N 3.42Å
254K98.9Very high97Very high1 Ų148.9 Ų48.90%0.00425%0.251CS..EExtended strand (participates in β ladder)trans-130.994.6177.2-178.9168.7168.3-174.10111.8D55 D155 K188 F216 I217 K218 T219 R287D55-K254 WeakPolarHBondContact OD2-CD 3.27Å; D55-K254 WeakPolarHBondContact OD2-CE 3.46Å; D55-K254 IonicContact OD2-NZ 3.07Å; D55-K254 PolarHBondContact OD2-NZ 3.4Å; D155-K254 IonicContact OD1-NZ 3.52Å; D155-K254 IonicContact OD2-NZ 2.8Å; D155-K254 PolarHBondContact OD2-NZ 3.47Å; K188-K254 HydrophobicContact CD-CD 3.82Å; F216-K254 HydrophobicContact CD1-CB 4.18Å; I217-K254 PolarHBondContact O-N 3.18Å; K218-K254 VanDerWaalsContact CA-O 3.23Å; K218-K254 WeakPolarHBondContact CA-O 3.32Å; K218-K254 HydrophobicContact CB-CB 4.07Å; K218-K254 HydrophobicContact CB-CG 4.43Å; K218-K254 HydrophobicContact CD-CD 3.75Å; K218-K254 HydrophobicContact CD-CG 4.03Å; K218-K254 HydrophobicContact CG-CB 4.21Å; K218-K254 HydrophobicContact CG-CD 4.3Å; K218-K254 HydrophobicContact CG-CG 4.05Å; K218-K254 WeakPolarHBondContact CG-O 3.41Å; T219-K254 PolarHBondContact N-O 3.45Å; T219-K254 VanDerWaalsContact N-O 3.07Å; K254-R287 WeakPolarHBondContact CA-O 3.39Å; K254-R287 HydrophobicContact CB-CB 3.97Å; K254-R287 HydrophobicContact CD-CB 3.74Å; K254-R287 HydrophobicContact CD-CG 4.41Å; K254-R287 HydrophobicContact CG-CB 3.7Å
255P98.7Very high97Very high0 Ų045.8 Ų45.80%024%0.238CC..  trans-70136.3166.233.4-39.3000109.3T219 A228 F253 I259 W268 F286 R287 L288 G289T219-P255 HydrophobicContact CG2-CB 4.28Å; A228-P255 HydrophobicContact CB-CB 3.95Å; F253-P255 HydrophobicContact CD1-CG 4.39Å; F253-P255 HydrophobicContact CE1-CB 3.98Å; F253-P255 VanDerWaalsContact CE1-CD 3.41Å; F253-P255 HydrophobicContact CE1-CG 3.88Å; F253-P255 HydrophobicContact CZ-CB 4.09Å; F253-P255 HydrophobicContact CZ-CG 4.46Å; P255-I259 HydrophobicContact CB-CD1 3.99Å; P255-I259 HydrophobicContact CG-CD1 4.14Å; P255-W268 HydrophobicContact CB-CD2 4.17Å; P255-W268 HydrophobicContact CB-CE3 3.84Å; P255-W268 HydrophobicContact CB-CH2 3.6Å; P255-W268 HydrophobicContact CB-CZ2 3.96Å; P255-W268 HydrophobicContact CB-CZ3 3.5Å; P255-W268 VanDerWaalsContact CB-CZ3 3.5Å; P255-W268 HydrophobicContact CG-CD2 3.98Å; P255-W268 HydrophobicContact CG-CE3 3.7Å; P255-W268 HydrophobicContact CG-CH2 4.39Å; P255-W268 HydrophobicContact CG-CZ3 3.89Å; P255-F286 HydrophobicContact CG-CE2 3.87Å; P255-F286 HydrophobicContact CG-CZ 4.25Å; P255-R287 WeakPolarHBondContact CD-O 3.49Å; P255-L288 HydrophobicContact CG-CD2 3.99Å; P255-G289 PolarHBondContact O-N 3.48Å
256A97.8Very high97Very high4 Ų439.8 Ų39.83%0.03321%0.206CC..BIsolated β-bridgetrans-144.5147.8-17800000112K218 T219 S220 A228 G289K218-A256 HydrophobicContact CD-CB 4.3Å; K218-A256 VanDerWaalsContact CE-CB 3.44Å; K218-A256 HydrophobicContact CG-CB 4.17Å; T219-A256 PolarHBondContact OG1-N 2.95Å; T219-A256 PolarHBondContact OG1-O 3.18Å; S220-A256 WeakPolarHBondContact CB-O 3.1Å; A228-A256 WeakPolarHBondContact CB-O 3.47Å; A228-A256 PolarHBondContact N-O 2.95Å; A256-G289 WeakPolarHBondContact CA-O 3.49Å
257G92.1Very high97Very high13 Ų1333.5 Ų33.513%0.13418%0.184CC..SBendtrans84.7128.9179.200000113N227 I259 G289N227-G257 WeakPolarHBondContact CB-O 3.46Å; G257-I259 VanDerWaalsContact C-N 3.3Å; G257-I259 PolarHBondContact O-N 2.97Å; G257-G289 PolarHBondContact N-O 3.1Å
258G89.9Confident97.1Very high36 Ų3631.9 Ų31.937%0.37117%0.174SC..SBendtrans82.9-12174.100000116.6R260G258-R260 PolarHBondContact O-N 3.35Å; G258-R260 PolarHBondContact O-NH1 3.24Å
259I96.2Very high97.2Very high8 Ų829.6 Ų29.64%0.04115%0.15CC..  trans-78.2111.1179.3-49.7166.3000109.2P255 G257 E264 W268 L288 L293P255-I259 HydrophobicContact CB-CD1 3.99Å; P255-I259 HydrophobicContact CG-CD1 4.14Å; G257-I259 VanDerWaalsContact C-N 3.3Å; G257-I259 PolarHBondContact O-N 2.97Å; I259-E264 HydrophobicContact CG2-CB 4.09Å; I259-W268 HydrophobicContact CD1-CZ2 4.33Å; I259-W268 HydrophobicContact CG1-CZ2 4.49Å; I259-L288 HydrophobicContact CD1-CD2 4.09Å; I259-L293 HydrophobicContact CG2-CD1 4.38Å; I259-L293 HydrophobicContact CG2-CD2 3.87Å
260R95.5Very high97.2Very high157 Ų15726.9 Ų26.959%0.59214%0.138SC*.  trans-125.2-22.3-170.9-67-176.2179.191.7-5.9114.1G258 E264G258-R260 PolarHBondContact O-N 3.35Å; G258-R260 PolarHBondContact O-NH1 3.24Å; R260-E264 PolarHBondContact N-OE2 2.92Å
261T97.4Very high97.3Very high56 Ų5623.8 Ų23.834%0.34412%0.124SC..  trans-112.2147.4-17168.30000112.9Q263 E264 A265 L293 D296T261-Q263 PolarHBondContact O-N 3.46Å; T261-E264 PolarHBondContact N-OE2 3.38Å; T261-E264 WeakPolarHBondContact O-CB 3.49Å; T261-E264 PolarHBondContact O-N 3.07Å; T261-E264 VanDerWaalsContact O-N 3.13Å; T261-E264 WeakPolarHBondContact OG1-CB 3.33Å; T261-E264 WeakPolarHBondContact OG1-CG 3.46Å; T261-E264 PolarHBondContact OG1-N 3.44Å; T261-E264 VanDerWaalsContact OG1-N 3.16Å; T261-E264 PolarHBondContact OG1-OE2 3.25Å; T261-A265 PolarHBondContact O-N 2.84Å; T261-A265 VanDerWaalsContact O-N 3.12Å; T261-L293 WeakPolarHBondContact O-CD1 3.47Å; T261-D296 WeakPolarHBondContact CA-OD2 3.41Å
262A97Very high97.3Very high3 Ų323.8 Ų23.83%0.02512%0.124CC..Hα-helixtrans-54.4-37.4171.400000111.7L47 A265 L266 D296 I297 Q300L47-A262 HydrophobicContact CD1-CB 4.28Å; L47-A262 HydrophobicContact CD2-CB 3.65Å; A262-A265 WeakPolarHBondContact O-CB 3.4Å; A262-A265 PolarHBondContact O-N 3.18Å; A262-L266 WeakPolarHBondContact O-CG 3.29Å; A262-L266 PolarHBondContact O-N 3.4Å; A262-D296 WeakPolarHBondContact CB-OD2 3.48Å; A262-D296 PolarHBondContact N-OD2 2.95Å; A262-I297 HydrophobicContact CB-CG1 4.26Å; A262-Q300 HydrophobicContact CB-CB 4.33Å; A262-Q300 HydrophobicContact CB-CG 3.51Å
263Q96.9Very high97.2Very high132 Ų13227.9 Ų27.962%0.61714%0.142SC*.Hα-helixtrans-63.2-46.5176.2-175.7176.7-900111.9L37 T261 A265 L266 V267L37-Q263 HydrophobicContact CD1-CG 3.75Å; T261-Q263 PolarHBondContact O-N 3.46Å; Q263-A265 VanDerWaalsContact C-N 3.28Å; Q263-A265 PolarHBondContact O-N 2.91Å; Q263-L266 WeakPolarHBondContact O-CB 3.49Å; Q263-L266 PolarHBondContact O-N 3.09Å; Q263-V267 WeakPolarHBondContact O-CG2 3.47Å; Q263-V267 PolarHBondContact O-N 3.46Å; Q263-V267 VanDerWaalsContact O-N 3.16Å
264E97.4Very high97.2Very high59 Ų5932.5 Ų32.528%0.27616%0.164SC..Hα-helixtrans-58.3-42.6175.3-73.1167.7131.500111.2I259 R260 T261 L266 V267 W268I259-E264 HydrophobicContact CG2-CB 4.09Å; R260-E264 PolarHBondContact N-OE2 2.92Å; T261-E264 PolarHBondContact N-OE2 3.38Å; T261-E264 WeakPolarHBondContact O-CB 3.49Å; T261-E264 PolarHBondContact O-N 3.07Å; T261-E264 VanDerWaalsContact O-N 3.13Å; T261-E264 WeakPolarHBondContact OG1-CB 3.33Å; T261-E264 WeakPolarHBondContact OG1-CG 3.46Å; T261-E264 PolarHBondContact OG1-N 3.44Å; T261-E264 VanDerWaalsContact OG1-N 3.16Å; T261-E264 PolarHBondContact OG1-OE2 3.25Å; E264-L266 VanDerWaalsContact C-N 3.26Å; E264-L266 PolarHBondContact O-N 3.14Å; E264-V267 PolarHBondContact O-N 2.98Å; E264-V267 VanDerWaalsContact O-N 3.07Å; E264-W268 PolarHBondContact O-N 3.42Å
265A98.1Very high97.1Very high0 Ų033 Ų330%017%0.166CC..Hα-helixtrans-58.7-37.6178.200000112.8A50 T261 A262 Q263 W268 L269 L288 L293 I297A50-A265 HydrophobicContact CB-CB 3.88Å; T261-A265 PolarHBondContact O-N 2.84Å; T261-A265 VanDerWaalsContact O-N 3.12Å; A262-A265 WeakPolarHBondContact O-CB 3.4Å; A262-A265 PolarHBondContact O-N 3.18Å; Q263-A265 VanDerWaalsContact C-N 3.28Å; Q263-A265 PolarHBondContact O-N 2.91Å; A265-W268 PolarHBondContact O-N 3.42Å; A265-L269 WeakPolarHBondContact O-CG 3.16Å; A265-L269 PolarHBondContact O-N 3.14Å; A265-L288 HydrophobicContact CB-CD1 4.24Å; A265-L293 HydrophobicContact CB-CD1 4.18Å; A265-L293 HydrophobicContact CB-CD2 4.17Å; A265-I297 HydrophobicContact CB-CD1 4.4Å
266L98.3Very high97.1Very high1 Ų134 Ų341%0.00517%0.171CC..Hα-helixtrans-66.9-40174.8-62.1174000112L37 Q43 W46 L47 A262 Q263 E264 L269 T270L37-L266 HydrophobicContact CD1-CB 4.08Å; L37-L266 HydrophobicContact CD1-CD1 4.36Å; L37-L266 HydrophobicContact CD2-CB 4.02Å; Q43-L266 HydrophobicContact CG-CD1 3.65Å; W46-L266 HydrophobicContact CB-CD2 3.34Å; W46-L266 HydrophobicContact CE3-CD2 4.31Å; W46-L266 HydrophobicContact CG-CD2 4.32Å; L47-L266 HydrophobicContact CD2-CD1 4.26Å; L47-L266 HydrophobicContact CD2-CD2 3.83Å; L47-L266 HydrophobicContact CD2-CG 3.88Å; L47-L266 HydrophobicContact CG-CD2 4.17Å; A262-L266 WeakPolarHBondContact O-CG 3.29Å; A262-L266 PolarHBondContact O-N 3.4Å; Q263-L266 WeakPolarHBondContact O-CB 3.49Å; Q263-L266 PolarHBondContact O-N 3.09Å; E264-L266 VanDerWaalsContact C-N 3.26Å; E264-L266 PolarHBondContact O-N 3.14Å; L266-L269 PolarHBondContact O-N 3.34Å; L266-T270 WeakPolarHBondContact O-CB 3.36Å; L266-T270 PolarHBondContact O-N 3.26Å; L266-T270 PolarHBondContact O-OG1 3.36Å
267V98.4Very high97.1Very high10 Ų1035.1 Ų35.16%0.06118%0.183CC..Hα-helixtrans-64.6-42.2175.7-178.90000110.4I32 Q33 L37 Y230 Q263 E264 T270 L271I32-V267 HydrophobicContact CG2-CG1 4.15Å; Q33-V267 HydrophobicContact CG-CG1 4.23Å; L37-V267 HydrophobicContact CD1-CG2 4.06Å; L37-V267 HydrophobicContact CD2-CG2 4.11Å; Y230-V267 HydrophobicContact CD1-CG1 4.08Å; Y230-V267 HydrophobicContact CE1-CB 4.04Å; Y230-V267 HydrophobicContact CE1-CG1 3.44Å; Y230-V267 VanDerWaalsContact CE1-CG1 3.44Å; Y230-V267 HydrophobicContact CE2-CG1 4.36Å; Q263-V267 WeakPolarHBondContact O-CG2 3.47Å; Q263-V267 PolarHBondContact O-N 3.46Å; Q263-V267 VanDerWaalsContact O-N 3.16Å; E264-V267 PolarHBondContact O-N 2.98Å; E264-V267 VanDerWaalsContact O-N 3.07Å; V267-T270 WeakPolarHBondContact O-CB 3.48Å; V267-T270 PolarHBondContact O-N 3.24Å; V267-L271 PolarHBondContact O-N 3.19Å
268W98.6Very high97.3Very high4 Ų439.1 Ų39.12%0.01520%0.201CC..Hα-helixtrans-59.6-48.7174.8-76.6113.6000112.5A228 Y230 A233 F253 P255 I259 E264 A265 T270 L271 I272 F286 L288A228-W268 HydrophobicContact CB-CH2 3.95Å; A228-W268 HydrophobicContact CB-CZ2 3.83Å; Y230-W268 HydrophobicContact CD1-CD2 4.29Å; Y230-W268 HydrophobicContact CD1-CE3 4.35Å; Y230-W268 HydrophobicContact CD1-CH2 4.15Å; Y230-W268 HydrophobicContact CD1-CZ2 4.08Å; Y230-W268 HydrophobicContact CD1-CZ3 4.31Å; Y230-W268 AromaticContact CE1-CD2 3.82Å; Y230-W268 HydrophobicContact CE1-CD2 3.82Å; Y230-W268 AromaticContact CE1-CE2 3.62Å; Y230-W268 HydrophobicContact CE1-CE3 4.31Å; Y230-W268 HydrophobicContact CE1-CG 4.2Å; Y230-W268 HydrophobicContact CE1-CH2 4.42Å; Y230-W268 AromaticContact CE1-CZ2 3.93Å; Y230-W268 HydrophobicContact CE1-CZ2 3.93Å; Y230-W268 AromaticContact CE1-NE1 3.86Å; A233-W268 HydrophobicContact CB-CE3 4.43Å; A233-W268 HydrophobicContact CB-CH2 3.76Å; A233-W268 HydrophobicContact CB-CZ3 3.32Å; F253-W268 HydrophobicContact CE1-CE3 4.32Å; F253-W268 AromaticContact CE1-CZ3 3.93Å; F253-W268 HydrophobicContact CE1-CZ3 3.93Å; F253-W268 HydrophobicContact CZ-CZ3 4.19Å; P255-W268 HydrophobicContact CB-CD2 4.17Å; P255-W268 HydrophobicContact CB-CE3 3.84Å; P255-W268 HydrophobicContact CB-CH2 3.6Å; P255-W268 HydrophobicContact CB-CZ2 3.96Å; P255-W268 HydrophobicContact CB-CZ3 3.5Å; P255-W268 VanDerWaalsContact CB-CZ3 3.5Å; P255-W268 HydrophobicContact CG-CD2 3.98Å; P255-W268 HydrophobicContact CG-CE3 3.7Å; P255-W268 HydrophobicContact CG-CH2 4.39Å; P255-W268 HydrophobicContact CG-CZ3 3.89Å; I259-W268 HydrophobicContact CD1-CZ2 4.33Å; I259-W268 HydrophobicContact CG1-CZ2 4.49Å; E264-W268 PolarHBondContact O-N 3.42Å; A265-W268 PolarHBondContact O-N 3.42Å; W268-T270 VanDerWaalsContact C-N 3.26Å; W268-T270 PolarHBondContact O-N 3.46Å; W268-L271 WeakPolarHBondContact O-CB 3.38Å; W268-L271 PolarHBondContact O-N 2.92Å; W268-I272 WeakPolarHBondContact O-CG1 3.45Å; W268-I272 PolarHBondContact O-N 3.08Å; W268-I272 VanDerWaalsContact O-N 3.13Å; W268-F286 HydrophobicContact CB-CZ 4.13Å; W268-L288 HydrophobicContact CB-CD2 4.02Å; W268-L288 HydrophobicContact CG-CD2 4.11Å
269L98.4Very high97.6Very high2 Ų241.6 Ų41.61%0.0121%0.206CC..Hα-helixtrans-60.4-38.4175-72.9175.4000112W46 K49 A50 A265 L266 I272 K273 L281 F286W46-L269 HydrophobicContact CE3-CB 3.82Å; W46-L269 HydrophobicContact CE3-CD1 4.09Å; W46-L269 HydrophobicContact CZ3-CB 3.79Å; W46-L269 VanDerWaalsContact O-CD1 3.29Å; W46-L269 WeakPolarHBondContact O-CD1 3.33Å; K49-L269 HydrophobicContact CB-CD1 4.4Å; K49-L269 HydrophobicContact CG-CD1 4.29Å; A50-L269 HydrophobicContact CB-CD1 3.85Å; A265-L269 WeakPolarHBondContact O-CG 3.16Å; A265-L269 PolarHBondContact O-N 3.14Å; L266-L269 PolarHBondContact O-N 3.34Å; L269-I272 PolarHBondContact O-N 2.88Å; L269-K273 WeakPolarHBondContact O-CB 3.38Å; L269-K273 PolarHBondContact O-N 3.23Å; L269-L281 HydrophobicContact CD2-CD2 4.04Å; L269-L281 WeakPolarHBondContact O-CD2 3.39Å; L269-F286 HydrophobicContact CD2-CD1 3.96Å; L269-F286 HydrophobicContact CD2-CE1 3.64Å; L269-F286 HydrophobicContact CG-CE1 4.43Å
270T98.3Very high97.7Very high13 Ų1341.7 Ų41.78%0.0821%0.206CC..Hα-helixtrans-64.2-45.9177.7-57.80000110.6L35 W46 L266 V267 W268 I272 K273 E274L35-T270 HydrophobicContact CD1-CG2 3.74Å; W46-T270 WeakPolarHBondContact CZ3-OG1 3.43Å; L266-T270 WeakPolarHBondContact O-CB 3.36Å; L266-T270 PolarHBondContact O-N 3.26Å; L266-T270 PolarHBondContact O-OG1 3.36Å; V267-T270 WeakPolarHBondContact O-CB 3.48Å; V267-T270 PolarHBondContact O-N 3.24Å; W268-T270 VanDerWaalsContact C-N 3.26Å; W268-T270 PolarHBondContact O-N 3.46Å; T270-I272 VanDerWaalsContact C-N 3.31Å; T270-I272 PolarHBondContact O-N 2.74Å; T270-K273 PolarHBondContact O-N 2.82Å; T270-E274 HydrophobicContact CG2-CG 4.18Å; T270-E274 WeakPolarHBondContact O-CB 3.21Å; T270-E274 WeakPolarHBondContact O-CG 3.43Å; T270-E274 PolarHBondContact O-N 3.3Å
271L98.6Very high97.8Very high0 Ų035.1 Ų35.10%018%0.182CC..Hα-helixtrans-55.1-47176.4-174.8153.7000111.6I32 Y230 A233 I234 V237 V267 W268 E274 E275I32-L271 HydrophobicContact CD1-CG 4.15Å; I32-L271 HydrophobicContact CG2-CB 3.96Å; I32-L271 HydrophobicContact CG2-CG 4.49Å; Y230-L271 HydrophobicContact CD1-CD1 3.99Å; A233-L271 HydrophobicContact CB-CD1 3.87Å; A233-L271 HydrophobicContact CB-CD2 4.28Å; I234-L271 HydrophobicContact CD1-CD1 3.78Å; I234-L271 HydrophobicContact CD1-CD2 4.27Å; I234-L271 HydrophobicContact CD1-CG 3.83Å; I234-L271 HydrophobicContact CG1-CD1 4.25Å; V237-L271 HydrophobicContact CG1-CD2 3.96Å; V237-L271 HydrophobicContact CG2-CD2 4.12Å; V267-L271 PolarHBondContact O-N 3.19Å; W268-L271 WeakPolarHBondContact O-CB 3.38Å; W268-L271 PolarHBondContact O-N 2.92Å; L271-E274 PolarHBondContact O-N 2.91Å; L271-E275 PolarHBondContact O-N 3.32Å
272I98.6Very high97.7Very high0 Ų036.6 Ų36.60%019%0.185CC..Hα-helixtrans-66.3-45.1-179.6-60.5-58.8000111.5V237 F253 W268 L269 T270 E274 E275 L276 G277 W280 L281 F286V237-I272 HydrophobicContact CG1-CD1 3.76Å; F253-I272 HydrophobicContact CB-CD1 4.44Å; F253-I272 HydrophobicContact CD1-CD1 3.38Å; F253-I272 HydrophobicContact CE1-CD1 3.96Å; F253-I272 HydrophobicContact CG-CD1 4.26Å; W268-I272 WeakPolarHBondContact O-CG1 3.45Å; W268-I272 PolarHBondContact O-N 3.08Å; W268-I272 VanDerWaalsContact O-N 3.13Å; L269-I272 PolarHBondContact O-N 2.88Å; T270-I272 VanDerWaalsContact C-N 3.31Å; T270-I272 PolarHBondContact O-N 2.74Å; I272-E274 VanDerWaalsContact C-N 3.26Å; I272-E274 PolarHBondContact O-N 3.41Å; I272-E275 PolarHBondContact O-N 2.91Å; I272-L276 WeakPolarHBondContact O-CA 3.35Å; I272-L276 WeakPolarHBondContact O-CB 3.45Å; I272-L276 PolarHBondContact O-N 3.46Å; I272-G277 PolarHBondContact O-N 3.19Å; I272-W280 HydrophobicContact CG2-CB 3.53Å; I272-L281 HydrophobicContact CB-CD2 3.93Å; I272-L281 HydrophobicContact CG2-CD2 3.86Å; I272-F286 HydrophobicContact CD1-CD2 3.9Å; I272-F286 HydrophobicContact CD1-CE2 3.91Å; I272-F286 HydrophobicContact CG1-CD2 3.61Å; I272-F286 HydrophobicContact CG1-CE2 3.51Å; I272-F286 HydrophobicContact CG1-CG 4.2Å; I272-F286 HydrophobicContact CG1-CZ 4.05Å
273K97.8Very high97.7Very high87 Ų8738.2 Ų38.238%0.37820%0.196SC..Hα-helixtrans-57.4-43.4176.5-172.4178.4177.4-176.80111.5W46 L269 T270 G277 N278 L281W46-K273 HydrophobicContact CH2-CD 3.98Å; W46-K273 HydrophobicContact CZ2-CD 4.29Å; L269-K273 WeakPolarHBondContact O-CB 3.38Å; L269-K273 PolarHBondContact O-N 3.23Å; T270-K273 PolarHBondContact O-N 2.82Å; K273-G277 WeakPolarHBondContact O-CA 3.32Å; K273-G277 PolarHBondContact O-N 3.32Å; K273-N278 WeakPolarHBondContact CE-OD1 3.44Å; K273-L281 HydrophobicContact CB-CD1 4.08Å; K273-L281 HydrophobicContact CB-CD2 4.23Å; K273-L281 HydrophobicContact CD-CD1 4.37Å; K273-L281 HydrophobicContact CG-CD1 4.2Å
274E97.6Very high97.7Very high96 Ų9635.7 Ų35.745%0.44918%0.184SC..Hα-helixtrans-73.2-37.5-176.6-74.1-67.5136.700113.6R28 L35 T270 L271 I272R28-E274 IonicContact NH2-OE2 3.14Å; L35-E274 HydrophobicContact CD1-CG 4.28Å; T270-E274 HydrophobicContact CG2-CG 4.18Å; T270-E274 WeakPolarHBondContact O-CB 3.21Å; T270-E274 WeakPolarHBondContact O-CG 3.43Å; T270-E274 PolarHBondContact O-N 3.3Å; L271-E274 PolarHBondContact O-N 2.91Å; I272-E274 VanDerWaalsContact C-N 3.26Å; I272-E274 PolarHBondContact O-N 3.41Å
275E98.1Very high97.8Very high13 Ų1333 Ų336%0.06117%0.171CC..Hα-helixtrans-93.5-30.8-176.6-65.8-68.1132.200113.9R28 I234 V237 R238 R241 L271 I272R28-E275 IonicContact CZ-OE1 3.74Å; R28-E275 IonicContact NE-OE1 3.54Å; R28-E275 PolarHBondContact NE-OE1 2.96Å; R28-E275 IonicContact NH2-OE1 2.65Å; R28-E275 PolarHBondContact NH2-OE1 3.16Å; I234-E275 HydrophobicContact CD1-CG 3.77Å; V237-E275 HydrophobicContact CB-CB 4.33Å; V237-E275 HydrophobicContact CG2-CB 3.58Å; V237-E275 HydrophobicContact CG2-CG 3.74Å; R238-E275 IonicContact NE-OE2 2.72Å; R238-E275 PolarHBondContact NE-OE2 3.33Å; R238-E275 IonicContact NH2-OE2 3.33Å; R241-E275 IonicContact NH1-OE2 2.82Å; L271-E275 PolarHBondContact O-N 3.32Å; I272-E275 PolarHBondContact O-N 2.91Å
276L98.3Very high97.8Very high21 Ų2133 Ų3311%0.1117%0.171CC..Hα-helixtrans-124-15.4-172.7-66.3176.6000114.3V237 I240 R241 I272 W280V237-L276 HydrophobicContact CB-CD1 3.87Å; V237-L276 HydrophobicContact CB-CG 4.11Å; V237-L276 HydrophobicContact CG1-CD1 4.06Å; V237-L276 WeakPolarHBondContact O-CD2 3.48Å; I240-L276 HydrophobicContact CB-CD2 4.45Å; I240-L276 HydrophobicContact CG2-CD1 4.1Å; I240-L276 HydrophobicContact CG2-CD2 4.03Å; R241-L276 HydrophobicContact CB-CD2 3.81Å; I272-L276 WeakPolarHBondContact O-CA 3.35Å; I272-L276 WeakPolarHBondContact O-CB 3.45Å; I272-L276 PolarHBondContact O-N 3.46Å; L276-W280 HydrophobicContact CB-CB 3.83Å; L276-W280 HydrophobicContact CB-CD2 3.88Å; L276-W280 HydrophobicContact CB-CE3 4.11Å; L276-W280 HydrophobicContact CB-CG 3.75Å; L276-W280 HydrophobicContact CD1-CB 4.27Å; L276-W280 HydrophobicContact CD1-CD2 4.31Å; L276-W280 HydrophobicContact CD1-CG 3.8Å; L276-W280 HydrophobicContact CG-CG 4.35Å; L276-W280 VanDerWaalsContact O-CE3 3.26Å
277G97.8Very high97.8Very high27 Ų2733.5 Ų33.528%0.27817%0.173SC..  trans87.3-178.217900000114.5I272 K273 D279 W280I272-G277 PolarHBondContact O-N 3.19Å; K273-G277 WeakPolarHBondContact O-CA 3.32Å; K273-G277 PolarHBondContact O-N 3.32Å; G277-D279 VanDerWaalsContact C-N 3.34Å; G277-D279 PolarHBondContact O-N 3.29Å; G277-W280 PolarHBondContact O-N 3.12Å
278N96.9Very high97.8Very high97 Ų9733 Ų3352%0.51917%0.17SC..G310 helixtrans-67.3-31-170.1-68.1-34.1000113.7K273 W280 L281K273-N278 WeakPolarHBondContact CE-OD1 3.44Å; N278-W280 PolarHBondContact O-N 3.07Å; N278-L281 WeakPolarHBondContact O-CB 3.4Å; N278-L281 PolarHBondContact O-N 3.16Å
279D95.6Very high97.8Very high87 Ų8733.2 Ų33.247%0.46517%0.173SC..G310 helixtrans-59.1-35.4-179.1-66.90.8000111.8K250 G277 L281K250-D279 IonicContact NZ-OD2 3.94Å; K250-D279 PolarHBondContact NZ-OD2 3.39Å; G277-D279 VanDerWaalsContact C-N 3.34Å; G277-D279 PolarHBondContact O-N 3.29Å; D279-L281 PolarHBondContact O-N 3.18Å
280W98.1Very high97.7Very high10 Ų1033.5 Ų33.54%0.03818%0.176CC..G310 helixtrans-77.8-3.6177.6-86.7-100.5000113.6I240 F244 K250 V251 I272 L276 G277 N278 H282 L285 F286I240-W280 HydrophobicContact CG2-CZ2 4.23Å; F244-W280 AromaticContact CD1-CH2 3.98Å; F244-W280 HydrophobicContact CD1-CH2 3.98Å; F244-W280 HydrophobicContact CD2-CH2 4.28Å; F244-W280 HydrophobicContact CE1-CH2 4.26Å; F244-W280 AromaticContact CG-CH2 3.99Å; F244-W280 HydrophobicContact CG-CH2 3.99Å; F244-W280 HydrophobicContact CG-CZ2 4.45Å; K250-W280 HydrophobicContact CB-CH2 4.11Å; K250-W280 HydrophobicContact CB-CZ2 3.65Å; K250-W280 HydrophobicContact CD-CH2 3.49Å; K250-W280 VanDerWaalsContact CD-CH2 3.49Å; K250-W280 HydrophobicContact CD-CZ2 3.83Å; K250-W280 HydrophobicContact CD-CZ3 3.86Å; K250-W280 HydrophobicContact CG-CH2 3.46Å; K250-W280 VanDerWaalsContact CG-CH2 3.46Å; K250-W280 HydrophobicContact CG-CZ2 3.55Å; K250-W280 HydrophobicContact CG-CZ3 4.33Å; V251-W280 PolarHBondContact O-NE1 3.01Å; I272-W280 HydrophobicContact CG2-CB 3.53Å; L276-W280 HydrophobicContact CB-CB 3.83Å; L276-W280 HydrophobicContact CB-CD2 3.88Å; L276-W280 HydrophobicContact CB-CE3 4.11Å; L276-W280 HydrophobicContact CB-CG 3.75Å; L276-W280 HydrophobicContact CD1-CB 4.27Å; L276-W280 HydrophobicContact CD1-CD2 4.31Å; L276-W280 HydrophobicContact CD1-CG 3.8Å; L276-W280 HydrophobicContact CG-CG 4.35Å; L276-W280 VanDerWaalsContact O-CE3 3.26Å; G277-W280 PolarHBondContact O-N 3.12Å; N278-W280 PolarHBondContact O-N 3.07Å; W280-H282 PolarHBondContact O-N 3.42Å; W280-L285 HydrophobicContact CB-CB 4.41Å; W280-L285 HydrophobicContact CD2-CD1 4.09Å; W280-L285 HydrophobicContact CG-CB 4.04Å; W280-L285 HydrophobicContact CG-CD1 4.24Å; W280-F286 WeakPolarHBondContact O-CB 3.44Å
281L97.1Very high97.4Very high19 Ų1936.5 Ų36.510%0.09920%0.197CC..G310 helixtrans-78.32.2175.7-61.6177.7000112.5K49 L269 I272 K273 N278 D279K49-L281 WeakPolarHBondContact CE-O 3.39Å; K49-L281 PolarHBondContact NZ-O 3.19Å; L269-L281 HydrophobicContact CD2-CD2 4.04Å; L269-L281 WeakPolarHBondContact O-CD2 3.39Å; I272-L281 HydrophobicContact CB-CD2 3.93Å; I272-L281 HydrophobicContact CG2-CD2 3.86Å; K273-L281 HydrophobicContact CB-CD1 4.08Å; K273-L281 HydrophobicContact CB-CD2 4.23Å; K273-L281 HydrophobicContact CD-CD1 4.37Å; K273-L281 HydrophobicContact CG-CD1 4.2Å; N278-L281 WeakPolarHBondContact O-CB 3.4Å; N278-L281 PolarHBondContact O-N 3.16Å; D279-L281 PolarHBondContact O-N 3.18Å
282H96.8Very high97.2Very high87 Ų8739.1 Ų39.140%0.40322%0.215SC..SBendtrans-96.7152.9-177.5-69.4-89.4000113.2W280 H284 L285 F286W280-H282 PolarHBondContact O-N 3.42Å; H282-H284 WeakPolarHBondContact CB-CE1 3.29Å; H282-H284 WeakPolarHBondContact CB-ND1 3.36Å; H282-H284 AromaticContact CG-CE1 3.98Å; H282-H284 PolarHBondContact O-N 3.19Å; H282-L285 CarbonylContact O-C 3.48Å; H282-L285 PolarHBondContact O-N 3.32Å; H282-F286 PolarHBondContact O-N 3.37Å
283P97.1Very high97.2Very high38 Ų3839.1 Ų39.125%0.24722%0.215CC..THydrogen-bonded Turntrans-56.9-23.2-176.9-27.636.6000114.5S52 A97 L285 F286 R287S52-P283 WeakPolarHBondContact O-CG 3.48Å; A97-P283 HydrophobicContact CB-CB 3.91Å; P283-L285 VanDerWaalsContact C-N 3.27Å; P283-L285 PolarHBondContact O-N 3.27Å; P283-F286 WeakPolarHBondContact CA-O 3.43Å; P283-R287 WeakPolarHBondContact O-CD 3.47Å; P283-R287 PolarHBondContact O-NE 3.39Å; P283-R287 PolarHBondContact O-NH2 3.38Å
284H96.5Very high97.2Very high78 Ų7835 Ų3536%0.36120%0.198SC..THydrogen-bonded Turntrans-78.5-8.417764.9-88.8000114.1F216 H282F216-H284 VanDerWaalsContact CE2-O 3.24Å; F216-H284 WeakPolarHBondContact CE2-O 3.49Å; F216-H284 VanDerWaalsContact CZ-C 3.44Å; F216-H284 VanDerWaalsContact CZ-O 3.27Å; F216-H284 WeakPolarHBondContact CZ-O 3.34Å; H282-H284 WeakPolarHBondContact CB-CE1 3.29Å; H282-H284 WeakPolarHBondContact CB-ND1 3.36Å; H282-H284 AromaticContact CG-CE1 3.98Å; H282-H284 PolarHBondContact O-N 3.19Å
285L98.2Very high97.1Very high3 Ų332.2 Ų32.22%0.01619%0.191CC..THydrogen-bonded Turntrans-132.5-9.6178.2-74.1171.2000114.2K250 G252 F253 W280 H282 P283K250-L285 HydrophobicContact CB-CD1 4.2Å; K250-L285 HydrophobicContact CB-CD2 3.74Å; K250-L285 HydrophobicContact CD-CD1 3.8Å; G252-L285 CarbonylContact C-O 3.58Å; G252-L285 WeakPolarHBondContact CA-O 3.4Å; F253-L285 PolarHBondContact N-O 3.01Å; W280-L285 HydrophobicContact CB-CB 4.41Å; W280-L285 HydrophobicContact CD2-CD1 4.09Å; W280-L285 HydrophobicContact CG-CB 4.04Å; W280-L285 HydrophobicContact CG-CD1 4.24Å; H282-L285 CarbonylContact O-C 3.48Å; H282-L285 PolarHBondContact O-N 3.32Å; P283-L285 VanDerWaalsContact C-N 3.27Å; P283-L285 PolarHBondContact O-N 3.27Å
286F98.7Very high97Very high0 Ų032.8 Ų32.80%019%0.194CC..BIsolated β-bridgetrans-143.1133.3175.1177.6-112.6000112C53 F253 P255 W268 L269 I272 W280 H282 P283 L288C53-F286 HydrophobicContact CB-CD1 3.96Å; C53-F286 HydrophobicContact CB-CE1 4.33Å; F253-F286 HydrophobicContact CD1-CD2 4.08Å; F253-F286 AromaticContact CD1-CE2 3.97Å; F253-F286 HydrophobicContact CD1-CE2 3.97Å; F253-F286 HydrophobicContact CE1-CE2 4.48Å; F253-F286 WeakPolarHBondContact O-CA 3.4Å; F253-F286 WeakPolarHBondContact O-CD2 3.45Å; P255-F286 HydrophobicContact CG-CE2 3.87Å; P255-F286 HydrophobicContact CG-CZ 4.25Å; W268-F286 HydrophobicContact CB-CZ 4.13Å; L269-F286 HydrophobicContact CD2-CD1 3.96Å; L269-F286 HydrophobicContact CD2-CE1 3.64Å; L269-F286 HydrophobicContact CG-CE1 4.43Å; I272-F286 HydrophobicContact CD1-CD2 3.9Å; I272-F286 HydrophobicContact CD1-CE2 3.91Å; I272-F286 HydrophobicContact CG1-CD2 3.61Å; I272-F286 HydrophobicContact CG1-CE2 3.51Å; I272-F286 HydrophobicContact CG1-CG 4.2Å; I272-F286 HydrophobicContact CG1-CZ 4.05Å; W280-F286 WeakPolarHBondContact O-CB 3.44Å; H282-F286 PolarHBondContact O-N 3.37Å; P283-F286 WeakPolarHBondContact CA-O 3.43Å; F286-L288 HydrophobicContact CE1-CD1 4.37Å; F286-L288 HydrophobicContact CE1-CD2 4.1Å; F286-L288 HydrophobicContact CE1-CG 3.91Å; F286-L288 HydrophobicContact CZ-CD2 3.62Å; F286-L288 HydrophobicContact CZ-CG 3.92Å
287R98.8Very high96.9Very high12 Ų1231.8 Ų31.85%0.04519%0.189CC..  trans-133.6143.9178.5-62.6-63.4-173.376.75111.5C53 D55 E153 F216 F253 K254 P255 P283C53-R287 CarbonylContact O-C 3.47Å; C53-R287 WeakPolarHBondContact O-CA 3.33Å; D55-R287 WeakPolarHBondContact OD1-CD 3.17Å; D55-R287 IonicContact OD1-CZ 3.71Å; D55-R287 IonicContact OD1-NE 3.33Å; D55-R287 IonicContact OD1-NH1 3.96Å; D55-R287 PolarHBondContact OD1-NH1 3.33Å; D55-R287 IonicContact OD2-NH1 2.62Å; D55-R287 PolarHBondContact OD2-NH1 2.92Å; E153-R287 IonicContact OE1-CZ 3.69Å; E153-R287 IonicContact OE1-NH1 3.93Å; E153-R287 PolarHBondContact OE1-NH1 3.13Å; E153-R287 IonicContact OE1-NH2 3.75Å; E153-R287 PolarHBondContact OE1-NH2 3.48Å; E153-R287 IonicContact OE2-CZ 3.47Å; E153-R287 IonicContact OE2-NH1 3.53Å; E153-R287 PolarHBondContact OE2-NH1 3.43Å; E153-R287 IonicContact OE2-NH2 2.6Å; F216-R287 HydrophobicContact CD1-CG 4.38Å; F216-R287 HydrophobicContact CE1-CB 4.33Å; F216-R287 HydrophobicContact CE1-CG 3.67Å; F216-R287 HydrophobicContact CZ-CG 3.97Å; F253-R287 PolarHBondContact O-N 3.42Å; K254-R287 WeakPolarHBondContact CA-O 3.39Å; K254-R287 HydrophobicContact CB-CB 3.97Å; K254-R287 HydrophobicContact CD-CB 3.74Å; K254-R287 HydrophobicContact CD-CG 4.41Å; K254-R287 HydrophobicContact CG-CB 3.7Å; P255-R287 WeakPolarHBondContact CD-O 3.49Å; P283-R287 WeakPolarHBondContact O-CD 3.47Å; P283-R287 PolarHBondContact O-NE 3.39Å; P283-R287 PolarHBondContact O-NH2 3.38Å
288L98.8Very high96.9Very high0 Ų030.6 Ų30.60%018%0.176CC..EExtended strand (participates in β ladder)trans-104.6110.3168.4-68.4167000108.4A50 C53 I54 D55 P255 I259 A265 W268 F286 A290 L293A50-L288 HydrophobicContact CB-CD1 4.11Å; C53-L288 PolarHBondContact O-N 2.92Å; I54-L288 WeakPolarHBondContact CA-O 3.49Å; I54-L288 HydrophobicContact CG1-CB 4.12Å; I54-L288 HydrophobicContact CG1-CD1 4.39Å; D55-L288 PolarHBondContact N-O 3.01Å; P255-L288 HydrophobicContact CG-CD2 3.99Å; I259-L288 HydrophobicContact CD1-CD2 4.09Å; A265-L288 HydrophobicContact CB-CD1 4.24Å; W268-L288 HydrophobicContact CB-CD2 4.02Å; W268-L288 HydrophobicContact CG-CD2 4.11Å; F286-L288 HydrophobicContact CE1-CD1 4.37Å; F286-L288 HydrophobicContact CE1-CD2 4.1Å; F286-L288 HydrophobicContact CE1-CG 3.91Å; F286-L288 HydrophobicContact CZ-CD2 3.62Å; F286-L288 HydrophobicContact CZ-CG 3.92Å; L288-A290 PolarHBondContact O-N 3.28Å; L288-L293 HydrophobicContact CB-CD2 4.37Å; L288-L293 HydrophobicContact CD1-CD2 3.99Å
289G98.3Very high96.8Very high7 Ų730.2 Ų30.27%0.07217%0.168CC..EExtended strand (participates in β ladder)trans-80.498.2174.700000111.1P255 A256 G257P255-G289 PolarHBondContact O-N 3.48Å; A256-G289 WeakPolarHBondContact CA-O 3.49Å; G257-G289 PolarHBondContact N-O 3.1Å
290A96.6Very high96.7Very high9 Ų927.9 Ų27.97%0.07415%0.154CC..EExtended strand (participates in β ladder)trans-147.5151.8-174.600000113D55 T57 L288 L293D55-A290 PolarHBondContact O-N 2.88Å; T57-A290 PolarHBondContact N-O 3.45Å; T57-A290 VanDerWaalsContact N-O 3.08Å; L288-A290 PolarHBondContact O-N 3.28Å; A290-L293 HydrophobicContact CB-CB 3.53Å; A290-L293 HydrophobicContact CB-CD2 4.1Å; A290-L293 HydrophobicContact CB-CG 4.48Å
291S92.4Very high96.6Very high75 Ų7527.4 Ų27.452%0.52415%0.152SC..SBendtrans-103.4-51.9173.254.70000111.6T57T57-S291 WeakPolarHBondContact O-CB 3.13Å
292S93.7Very high96.6Very high55 Ų5527.9 Ų27.939%0.38515%0.153SC..SBendtrans-93.6-13.6-173.766.70000115.2L294 A295S292-L294 VanDerWaalsContact C-N 3.29Å; S292-L294 PolarHBondContact O-N 3.27Å; S292-A295 PolarHBondContact O-N 2.91Å
293L97.5Very high96.4Very high0 Ų026.7 Ų26.70%015%0.147CC..Hα-helixtrans-58.8-39.7-174.8174.561.2000112.7I54 I259 T261 A265 L288 A290 A295 D296 I297I54-L293 HydrophobicContact CD1-CD2 4.07Å; I54-L293 HydrophobicContact CD1-CG 4.16Å; I54-L293 HydrophobicContact CG1-CD2 4.37Å; I259-L293 HydrophobicContact CG2-CD1 4.38Å; I259-L293 HydrophobicContact CG2-CD2 3.87Å; T261-L293 WeakPolarHBondContact O-CD1 3.47Å; A265-L293 HydrophobicContact CB-CD1 4.18Å; A265-L293 HydrophobicContact CB-CD2 4.17Å; L288-L293 HydrophobicContact CB-CD2 4.37Å; L288-L293 HydrophobicContact CD1-CD2 3.99Å; A290-L293 HydrophobicContact CB-CB 3.53Å; A290-L293 HydrophobicContact CB-CD2 4.1Å; A290-L293 HydrophobicContact CB-CG 4.48Å; L293-A295 VanDerWaalsContact C-N 3.27Å; L293-A295 PolarHBondContact O-N 2.97Å; L293-D296 PolarHBondContact O-N 2.7Å; L293-I297 HydrophobicContact CD1-CD1 4.21Å; L293-I297 HydrophobicContact CD1-CG1 4.17Å; L293-I297 HydrophobicContact CD2-CD1 4.34Å; L293-I297 HydrophobicContact CG-CD1 3.91Å; L293-I297 HydrophobicContact CG-CG1 4.3Å; L293-I297 PolarHBondContact O-N 2.76Å
294L97.8Very high96.3Very high1 Ų128.6 Ų28.61%0.00515%0.153CC..Hα-helixtrans-61-38-176.2177.759.3000112A51 I54 L56 K74 P78 T96 S292 I297 E298A51-L294 HydrophobicContact CB-CD1 4.13Å; I54-L294 HydrophobicContact CD1-CB 3.98Å; I54-L294 HydrophobicContact CD1-CD1 4.25Å; L56-L294 HydrophobicContact CD1-CB 4.02Å; L56-L294 HydrophobicContact CD1-CD2 3.85Å; L56-L294 HydrophobicContact CD2-CD2 3.91Å; L56-L294 HydrophobicContact CG-CD2 4.48Å; K74-L294 HydrophobicContact CD-CD2 4.33Å; K74-L294 HydrophobicContact CG-CD2 3.93Å; P78-L294 HydrophobicContact CB-CD1 3.65Å; P78-L294 HydrophobicContact CB-CD2 4.03Å; P78-L294 HydrophobicContact CB-CG 4.44Å; T96-L294 HydrophobicContact CG2-CD2 3.96Å; S292-L294 VanDerWaalsContact C-N 3.29Å; S292-L294 PolarHBondContact O-N 3.27Å; L294-I297 PolarHBondContact O-N 3.13Å; L294-E298 PolarHBondContact O-N 3.22Å
295A95.3Very high96.2Very high37 Ų3726.4 Ų26.431%0.30615%0.145SC..Hα-helixtrans-63.3-44.2177.100000111.3S292 L293 I297 E298 R299 Q315S292-A295 PolarHBondContact O-N 2.91Å; L293-A295 VanDerWaalsContact C-N 3.27Å; L293-A295 PolarHBondContact O-N 2.97Å; A295-I297 PolarHBondContact O-N 2.91Å; A295-E298 PolarHBondContact O-N 3.28Å; A295-R299 WeakPolarHBondContact O-CB 3.38Å; A295-R299 PolarHBondContact O-N 3.26Å; A295-Q315 PolarHBondContact O-OE1 3.12Å
296D96.6Very high95.9Very high25 Ų2528.4 Ų28.413%0.13416%0.157CC..Hα-helixtrans-66.1-38.6176.9-16958.3000112T261 A262 L293 R299 Q300T261-D296 WeakPolarHBondContact CA-OD2 3.41Å; A262-D296 WeakPolarHBondContact CB-OD2 3.48Å; A262-D296 PolarHBondContact N-OD2 2.95Å; L293-D296 PolarHBondContact O-N 2.7Å; D296-R299 WeakPolarHBondContact O-CB 3.47Å; D296-R299 PolarHBondContact O-N 3.5Å; D296-R299 IonicContact OD1-CZ 3.33Å; D296-R299 IonicContact OD1-NE 3.1Å; D296-R299 PolarHBondContact OD1-NE 3.16Å; D296-R299 VanDerWaalsContact OD1-NE 3.1Å; D296-R299 IonicContact OD1-NH2 2.7Å; D296-R299 PolarHBondContact OD1-NH2 2.96Å; D296-Q300 WeakPolarHBondContact O-CG 3.21Å; D296-Q300 PolarHBondContact O-N 3.33Å
297I97.4Very high95.6Very high0 Ų031.1 Ų31.10%019%0.185CC..Hα-helixtrans-58.3-51.2172.7-72177.5000110.8L47 A50 A51 I54 A262 A265 L293 L294 A295 R299 Q300 V301L47-I297 HydrophobicContact CB-CG2 4.11Å; L47-I297 HydrophobicContact CD2-CG1 4.32Å; A50-I297 HydrophobicContact CB-CD1 3.97Å; A51-I297 HydrophobicContact CB-CG2 4.32Å; I54-I297 HydrophobicContact CD1-CD1 3.93Å; A262-I297 HydrophobicContact CB-CG1 4.26Å; A265-I297 HydrophobicContact CB-CD1 4.4Å; L293-I297 HydrophobicContact CD1-CD1 4.21Å; L293-I297 HydrophobicContact CD1-CG1 4.17Å; L293-I297 HydrophobicContact CD2-CD1 4.34Å; L293-I297 HydrophobicContact CG-CD1 3.91Å; L293-I297 HydrophobicContact CG-CG1 4.3Å; L293-I297 PolarHBondContact O-N 2.76Å; L294-I297 PolarHBondContact O-N 3.13Å; A295-I297 PolarHBondContact O-N 2.91Å; I297-R299 PolarHBondContact O-N 3.04Å; I297-Q300 PolarHBondContact O-N 3.19Å; I297-Q300 VanDerWaalsContact O-N 3.16Å; I297-V301 HydrophobicContact CG2-CG2 4.41Å; I297-V301 WeakPolarHBondContact O-CG2 3.49Å; I297-V301 PolarHBondContact O-N 3.33Å
298E95.9Very high95Very high2 Ų236.9 Ų36.91%0.00921%0.213CC..Hα-helixtrans-61.3-36.3179.6-174.2175.9-137.800111.5K74 V79 R80 L294 A295 V301 Y302K74-E298 IonicContact NZ-OE1 3.92Å; K74-E298 PolarHBondContact NZ-OE1 3.1Å; K74-E298 IonicContact NZ-OE2 3.42Å; K74-E298 PolarHBondContact NZ-OE2 3.1Å; V79-E298 WeakPolarHBondContact CA-OE1 3.31Å; R80-E298 PolarHBondContact N-OE1 3.01Å; L294-E298 PolarHBondContact O-N 3.22Å; A295-E298 PolarHBondContact O-N 3.28Å; E298-V301 PolarHBondContact O-N 3.34Å; E298-Y302 WeakPolarHBondContact O-CB 3.46Å; E298-Y302 PolarHBondContact O-N 3.32Å
299R94.8Very high94.1Very high89 Ų8943.1 Ų43.134%0.33624%0.237SC..Hα-helixtrans-63-41.5175.5-171.6179.669.1112.8-2.2112.4A295 D296 I297 Y302 H303 Y309A295-R299 WeakPolarHBondContact O-CB 3.38Å; A295-R299 PolarHBondContact O-N 3.26Å; D296-R299 WeakPolarHBondContact O-CB 3.47Å; D296-R299 PolarHBondContact O-N 3.5Å; D296-R299 IonicContact OD1-CZ 3.33Å; D296-R299 IonicContact OD1-NE 3.1Å; D296-R299 PolarHBondContact OD1-NE 3.16Å; D296-R299 VanDerWaalsContact OD1-NE 3.1Å; D296-R299 IonicContact OD1-NH2 2.7Å; D296-R299 PolarHBondContact OD1-NH2 2.96Å; I297-R299 PolarHBondContact O-N 3.04Å; R299-Y302 PolarHBondContact O-N 2.96Å; R299-H303 PolarHBondContact O-N 3.43Å; R299-Y309 HydrophobicContact CG-CD1 4.23Å
300Q95.6Very high93.1Very high39 Ų3943.4 Ų43.418%0.18224%0.239CC..Hα-helixtrans-68-39174.8-63.8-51.2-46.200112.2L47 A262 D296 I297 H303 H304L47-Q300 HydrophobicContact CD1-CB 3.7Å; L47-Q300 HydrophobicContact CD1-CG 4.41Å; A262-Q300 HydrophobicContact CB-CB 4.33Å; A262-Q300 HydrophobicContact CB-CG 3.51Å; D296-Q300 WeakPolarHBondContact O-CG 3.21Å; D296-Q300 PolarHBondContact O-N 3.33Å; I297-Q300 PolarHBondContact O-N 3.19Å; I297-Q300 VanDerWaalsContact O-N 3.16Å; Q300-H303 PolarHBondContact O-N 3.32Å; Q300-H304 WeakPolarHBondContact O-CB 3.31Å; Q300-H304 PolarHBondContact O-N 3.1Å
301V95.8Very high92.1Very high0 Ų044.8 Ų44.80%025%0.25CS..Hα-helixtrans-63.2-44.5174.9172.90000110.6T44 L48 V79 L83 M87 I297 E298 H303 H304 V305T44-V301 HydrophobicContact CG2-CG2 4.26Å; L48-V301 HydrophobicContact CD2-CG2 4.04Å; V79-V301 HydrophobicContact CG1-CG1 3.97Å; L83-V301 HydrophobicContact CB-CG1 4.42Å; L83-V301 HydrophobicContact CD1-CG1 4.39Å; M87-V301 HydrophobicContact CE-CG1 3.43Å; M87-V301 VanDerWaalsContact CE-CG1 3.43Å; M87-V301 HydrophobicContact SD-CG1 4.03Å; I297-V301 HydrophobicContact CG2-CG2 4.41Å; I297-V301 WeakPolarHBondContact O-CG2 3.49Å; I297-V301 PolarHBondContact O-N 3.33Å; E298-V301 PolarHBondContact O-N 3.34Å; V301-H303 PolarHBondContact O-N 3.37Å; V301-H304 WeakPolarHBondContact O-CB 3.36Å; V301-H304 PolarHBondContact O-N 3.35Å; V301-V305 WeakPolarHBondContact O-CG2 3.35Å; V301-V305 PolarHBondContact O-N 3.18Å; V301-V305 VanDerWaalsContact O-N 3.1Å
302Y95.1Very high90.8Very high29 Ų2951.7 Ų51.711%0.11427%0.266CS..Hα-helixtrans-56.9-52.5175.5-176.7-86.4000110.8L83 E298 R299 H304 V305 T306 Q308 A310L83-Y302 HydrophobicContact CD1-CD2 4Å; L83-Y302 HydrophobicContact CD2-CD2 3.88Å; L83-Y302 HydrophobicContact CD2-CE2 4.48Å; L83-Y302 HydrophobicContact CG-CD2 4.5Å; E298-Y302 WeakPolarHBondContact O-CB 3.46Å; E298-Y302 PolarHBondContact O-N 3.32Å; R299-Y302 PolarHBondContact O-N 2.96Å; Y302-H304 VanDerWaalsContact C-N 3.3Å; Y302-H304 PolarHBondContact O-N 3.2Å; Y302-V305 PolarHBondContact O-N 2.94Å; Y302-T306 HydrophobicContact CD1-CG2 4.22Å; Y302-T306 WeakPolarHBondContact CD1-OG1 3.44Å; Y302-T306 HydrophobicContact CD2-CG2 4.21Å; Y302-T306 HydrophobicContact CE1-CG2 3.97Å; Y302-T306 VanDerWaalsContact CE1-OG1 3.25Å; Y302-T306 WeakPolarHBondContact CE1-OG1 3.25Å; Y302-T306 HydrophobicContact CE2-CG2 3.93Å; Y302-T306 HydrophobicContact CG-CG2 4.34Å; Y302-T306 PolarHBondContact O-N 3.23Å; Y302-T306 PolarHBondContact O-OG1 3.04Å; Y302-Q308 WeakPolarHBondContact CD1-O 3.4Å; Y302-Q308 VanDerWaalsContact CE1-O 3.31Å; Y302-Q308 WeakPolarHBondContact CE1-O 3.1Å; Y302-A310 HydrophobicContact CD1-CB 3.63Å; Y302-A310 VanDerWaalsContact CD1-N 3.34Å; Y302-A310 HydrophobicContact CD2-CB 4.2Å; Y302-A310 HydrophobicContact CE1-CB 3.86Å; Y302-A310 HydrophobicContact CE2-CB 4.42Å; Y302-A310 HydrophobicContact CG-CB 3.8Å
303H94.4Very high89.6Confident62 Ų6256.7 Ų56.729%0.28728%0.283SS..Hα-helixtrans-58.4-40177.9174.7-89.2000113R299 Q300 V301 V305 G307 Q308 Y309R299-H303 PolarHBondContact O-N 3.43Å; Q300-H303 PolarHBondContact O-N 3.32Å; V301-H303 PolarHBondContact O-N 3.37Å; H303-V305 VanDerWaalsContact C-N 3.29Å; H303-V305 PolarHBondContact O-N 3.02Å; H303-G307 VanDerWaalsContact O-CA 3.29Å; H303-G307 WeakPolarHBondContact O-CA 3.42Å; H303-G307 PolarHBondContact O-N 2.88Å; H303-Q308 WeakPolarHBondContact CA-O 3.4Å; H303-Y309 HydrophobicContact CB-CD1 3.95Å; H303-Y309 HydrophobicContact CB-CE1 3.92Å; H303-Y309 HydrophobicContact CB-CG 4.49Å; H303-Y309 AromaticContact CD2-CD2 3.63Å; H303-Y309 AromaticContact CD2-CE1 3.86Å; H303-Y309 AromaticContact CD2-CE2 3.4Å; H303-Y309 WeakPolarHBondContact CD2-CE2 3.45Å; H303-Y309 AromaticContact CD2-CG 3.95Å; H303-Y309 AromaticContact CD2-CZ 3.52Å; H303-Y309 AromaticContact CG-CE1 3.83Å; H303-Y309 AromaticContact CG-CZ 3.84Å; H303-Y309 AromaticContact NE2-CE2 3.63Å; H303-Y309 AromaticContact NE2-CZ 3.82Å
304H94.6Very high88.1Confident78 Ų7860.3 Ų60.336%0.36130%0.3SS..Hα-helixtrans-60-39.7175.6178.169000112.9T44 Q300 V301 Y302T44-H304 PolarHBondContact OG1-CD2 2.94Å; T44-H304 PolarHBondContact OG1-ND1 2.93Å; T44-H304 PolarHBondContact OG1-NE2 3.48Å; Q300-H304 WeakPolarHBondContact O-CB 3.31Å; Q300-H304 PolarHBondContact O-N 3.1Å; V301-H304 WeakPolarHBondContact O-CB 3.36Å; V301-H304 PolarHBondContact O-N 3.35Å; Y302-H304 VanDerWaalsContact C-N 3.3Å; Y302-H304 PolarHBondContact O-N 3.2Å
305V93.7Very high86.6Confident32 Ų3261.4 Ų61.419%0.19431%0.305CS..Hα-helixtrans-83.7-34.2-175.1172.40000112.7L83 R86 M87 V301 Y302 H303L83-V305 HydrophobicContact CD2-CB 4.12Å; L83-V305 HydrophobicContact CD2-CG1 3.93Å; R86-V305 HydrophobicContact CB-CG1 3.78Å; R86-V305 HydrophobicContact CG-CG1 4.2Å; M87-V305 HydrophobicContact CE-CG2 4.31Å; M87-V305 HydrophobicContact CG-CG2 3.65Å; M87-V305 HydrophobicContact SD-CG2 3.64Å; V301-V305 WeakPolarHBondContact O-CG2 3.35Å; V301-V305 PolarHBondContact O-N 3.18Å; V301-V305 VanDerWaalsContact O-N 3.1Å; Y302-V305 PolarHBondContact O-N 2.94Å; H303-V305 VanDerWaalsContact C-N 3.29Å; H303-V305 PolarHBondContact O-N 3.02Å
306T92.7Very high85Confident44 Ų4463.4 Ų63.427%0.2732%0.315SS..Hα-helixtrans-106.2-19.7-172.466.40000113.7L83 Y302 Q308L83-T306 HydrophobicContact CD2-CG2 4.41Å; Y302-T306 HydrophobicContact CD1-CG2 4.22Å; Y302-T306 WeakPolarHBondContact CD1-OG1 3.44Å; Y302-T306 HydrophobicContact CD2-CG2 4.21Å; Y302-T306 HydrophobicContact CE1-CG2 3.97Å; Y302-T306 VanDerWaalsContact CE1-OG1 3.25Å; Y302-T306 WeakPolarHBondContact CE1-OG1 3.25Å; Y302-T306 HydrophobicContact CE2-CG2 3.93Å; Y302-T306 HydrophobicContact CG-CG2 4.34Å; Y302-T306 PolarHBondContact O-N 3.23Å; Y302-T306 PolarHBondContact O-OG1 3.04Å; T306-Q308 PolarHBondContact O-N 3.06Å; T306-Q308 PolarHBondContact OG1-N 3.04Å; T306-Q308 VanDerWaalsContact OG1-N 3.12Å; T306-Q308 PolarHBondContact OG1-O 2.9Å; T306-Q308 VanDerWaalsContact OG1-O 3.07Å
307G91.3Very high83.3Confident57 Ų5769.6 Ų69.659%0.58835%0.345SS*.SBendtrans746.4-169.200000114.2H303H303-G307 VanDerWaalsContact O-CA 3.29Å; H303-G307 WeakPolarHBondContact O-CA 3.42Å; H303-G307 PolarHBondContact O-N 2.88Å
308Q86.4Confident81.2Confident133 Ų13372 Ų7262%0.62137%0.365SS*.SBendtrans-128.4149.9-179-62-179.1-1.700110.3Y302 H303 T306Y302-Q308 WeakPolarHBondContact CD1-O 3.4Å; Y302-Q308 VanDerWaalsContact CE1-O 3.31Å; Y302-Q308 WeakPolarHBondContact CE1-O 3.1Å; H303-Q308 WeakPolarHBondContact CA-O 3.4Å; T306-Q308 PolarHBondContact O-N 3.06Å; T306-Q308 PolarHBondContact OG1-N 3.04Å; T306-Q308 VanDerWaalsContact OG1-N 3.12Å; T306-Q308 PolarHBondContact OG1-O 2.9Å; T306-Q308 VanDerWaalsContact OG1-O 3.07Å
309Y81Confident80.4Confident132 Ų13275.6 Ų75.652%0.51838%0.383SS..PPolyproline II helixtrans-81.5132.9171.6-72.9-79.2000110.3R299 H303R299-Y309 HydrophobicContact CG-CD1 4.23Å; H303-Y309 HydrophobicContact CB-CD1 3.95Å; H303-Y309 HydrophobicContact CB-CE1 3.92Å; H303-Y309 HydrophobicContact CB-CG 4.49Å; H303-Y309 AromaticContact CD2-CD2 3.63Å; H303-Y309 AromaticContact CD2-CE1 3.86Å; H303-Y309 AromaticContact CD2-CE2 3.4Å; H303-Y309 WeakPolarHBondContact CD2-CE2 3.45Å; H303-Y309 AromaticContact CD2-CG 3.95Å; H303-Y309 AromaticContact CD2-CZ 3.52Å; H303-Y309 AromaticContact CG-CE1 3.83Å; H303-Y309 AromaticContact CG-CZ 3.84Å; H303-Y309 AromaticContact NE2-CE2 3.63Å; H303-Y309 AromaticContact NE2-CZ 3.82Å
310A77.3Confident79.7Confident13 Ų1374.8 Ų74.811%0.10739%0.386CS..PPolyproline II helixtrans-61.7140174.500000110.6Y302 E314 Q315Y302-A310 HydrophobicContact CD1-CB 3.63Å; Y302-A310 VanDerWaalsContact CD1-N 3.34Å; Y302-A310 HydrophobicContact CD2-CB 4.2Å; Y302-A310 HydrophobicContact CE1-CB 3.86Å; Y302-A310 HydrophobicContact CE2-CB 4.42Å; Y302-A310 HydrophobicContact CG-CB 3.8Å; A310-E314 WeakPolarHBondContact CA-OE2 3.19Å; A310-Q315 HydrophobicContact CB-CG 4.18Å
311A74Confident78.8Confident38 Ų3876.8 Ų76.831%0.31440%0.397SS..PPolyproline II helixtrans-71.4151.3167.300000109.9H313 E314A311-H313 WeakPolarHBondContact CB-CE1 3.4Å; A311-H313 PolarHBondContact O-N 3.39Å; A311-E314 HydrophobicContact CB-CG 4.12Å; A311-E314 PolarHBondContact N-OE2 3.07Å; A311-E314 WeakPolarHBondContact O-CB 3.29Å; A311-E314 PolarHBondContact O-N 3.05Å
312Y66.1Low77.8Confident220 Ų22081.4 Ų81.486%0.86342%0.42SS*.G310 helixtrans-55.8-29.2-175.7-107.2-83.3000114
313H68.3Low76.7Confident160 Ų16084.6 Ų84.674%0.74144%0.44SS*.G310 helixtrans-83.5-10.5-179.963.4-89.2000114A311 Q315A311-H313 WeakPolarHBondContact CB-CE1 3.4Å; A311-H313 PolarHBondContact O-N 3.39Å; H313-Q315 VanDerWaalsContact C-N 3.3Å
314E66.6Low75.5Confident76 Ų7686.1 Ų86.136%0.35545%0.45SS..G310 helixtrans-86.7-5.5179-61.5179.1141.700112.6R80 A310 A311R80-E314 PolarHBondContact NH1-O 3.01Å; A310-E314 WeakPolarHBondContact CA-OE2 3.19Å; A311-E314 HydrophobicContact CB-CG 4.12Å; A311-E314 PolarHBondContact N-OE2 3.07Å; A311-E314 WeakPolarHBondContact O-CB 3.29Å; A311-E314 PolarHBondContact O-N 3.05Å
315Q66.4Low74.2Confident24 Ų2486.7 Ų86.711%0.11246%0.456CS..SBendtrans-113.3125.8176.9-65.5-169-25.800110.1A295 A310 H313 M317A295-Q315 PolarHBondContact O-OE1 3.12Å; A310-Q315 HydrophobicContact CB-CG 4.18Å; H313-Q315 VanDerWaalsContact C-N 3.3Å; Q315-M317 PolarHBondContact O-N 2.88Å
316P62.2Low72.7Confident79 Ų7990.9 Ų90.951%0.51348%0.476SS..  trans-59.1125.8172.2-18.229.3000109.7A318P316-A318 PolarHBondContact O-N 3.45Å
317M59.8Low71Confident154 Ų15494.8 Ų94.876%0.75949%0.493SS*.  trans-61.3131.9172.8-68.3-174-66.300109.7Q315Q315-M317 PolarHBondContact O-N 2.88Å
318A52.8Low69.2Low52 Ų5298.3 Ų98.343%0.4349%0.485SS..  trans-720169.700000110.6L56 K74 P316L56-A318 HydrophobicContact CD1-CB 4.42Å; K74-A318 HydrophobicContact CG-CB 4.07Å; P316-A318 PolarHBondContact O-N 3.45Å

Retrieved 318 of 318 residues in 521.6 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).