A0A087X5Q3_POEFO Loading...

TIP41-like protein

AlphaFold DB , UniProt , Accession A0A087X5Q3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 264 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
1M34.1Very low64.7Low239 Ų239132.7 Ų132.7100%1.17768%0.678SS**  0110.70-89.3170.5170.200107.6L3M1-L3 PolarHBondContact O-N 2.96Å
2M29.5Very low67.4Low180 Ų180127.6 Ų127.689%0.88765%0.653SS**  trans-76.3107.5172.7-68.1-130.2-91.400107.8H4M2-H4 PolarHBondContact O-N 2.99Å; M2-H4 VanDerWaalsContact O-N 3.08Å; M2-H4 PolarHBondContact O-ND1 2.73Å
3L37.7Very low69.8Low170 Ų170121.3 Ų121.389%0.8962%0.618SS**  trans-52114.3162.4-78.8154.9000106.1M1 G5M1-L3 PolarHBondContact O-N 2.96Å; L3-G5 PolarHBondContact O-N 3.03Å
4H40.7Very low71.8Confident190 Ų190119.6 Ų119.688%0.8862%0.617SS**  trans-67.882168.6-81.260.5000106.6M2 F6M2-H4 PolarHBondContact O-N 2.99Å; M2-H4 VanDerWaalsContact O-N 3.08Å; M2-H4 PolarHBondContact O-ND1 2.73Å; H4-F6 PolarHBondContact O-N 3.25Å
5G55.1Low73.3Confident60 Ų60112.5 Ų112.562%0.61958%0.579SS**  trans-57.9135.1174.600000108.5L3 K7L3-G5 PolarHBondContact O-N 3.03Å; G5-K7 PolarHBondContact O-N 2.85Å; G5-K7 VanDerWaalsContact O-N 3.11Å
6F65.3Low74.6Confident114 Ų114109.2 Ų109.250%0.558%0.582SS.*  trans-47.3121.9170.2178.4-84.6000109H4 K24 N25 H26H4-F6 PolarHBondContact O-N 3.25Å; F6-K24 HydrophobicContact CZ-CB 4.23Å; F6-N25 WeakPolarHBondContact CE1-O 3.27Å; F6-N25 VanDerWaalsContact CZ-O 3.27Å; F6-N25 WeakPolarHBondContact CZ-O 3.19Å; F6-H26 HydrophobicContact CD1-CB 4.16Å
7K73.9Confident75.7Confident184 Ų184105.8 Ų105.880%0.857%0.569SS**  trans-92.3112.4-179.3-169.9176-179.3-178.70108.3G5 S9G5-K7 PolarHBondContact O-N 2.85Å; G5-K7 VanDerWaalsContact O-N 3.11Å; K7-S9 PolarHBondContact O-N 3.34Å
8S88.4Confident76.8Confident58 Ų58100.3 Ų100.341%0.40654%0.539SS..  trans-52.2135.5169.5-69.60000110.3K24 N25S8-K24 CarbonylContact C-O 3.57Å; S8-K24 WeakPolarHBondContact CA-O 3.38Å; S8-N25 VanDerWaalsContact CB-OD1 3.22Å; S8-N25 WeakPolarHBondContact CB-OD1 3.31Å; S8-N25 PolarHBondContact OG-OD1 2.87Å
9S93.9Very high77.9Confident46 Ų4699.4 Ų99.432%0.32253%0.53SS..EExtended strand (participates in β ladder)trans-130.9138.5-179.970.20000109.9K7 A23 K24K7-S9 PolarHBondContact O-N 3.34Å; S9-A23 WeakPolarHBondContact O-CA 3.3Å; S9-K24 PolarHBondContact N-O 3.46Å; S9-K24 PolarHBondContact O-N 3.43Å
10K96.2Very high78.9Confident141 Ų14194.5 Ų94.561%0.61350%0.503SS*.EExtended strand (participates in β ladder)trans-127.4128.6170.4-176.1179177.51800108.6D12 T21 A22K10-D12 VanDerWaalsContact CE-OD1 3.3Å; K10-D12 WeakPolarHBondContact CE-OD1 3.02Å; K10-T21 HydrophobicContact CG-CG2 4.45Å; K10-A22 CarbonylContact C-O 3.46Å; K10-A22 VanDerWaalsContact CA-O 3.31Å; K10-A22 WeakPolarHBondContact CA-O 3.34Å
11Q97.1Very high79.8Confident78 Ų7890.6 Ų90.636%0.36448%0.483SS..EExtended strand (participates in β ladder)trans-124.6132175.1-63.3-167.937.100109.7T21 A22 F149 E151Q11-T21 CarbonylContact O-C 3.59Å; Q11-T21 WeakPolarHBondContact O-CA 3.47Å; Q11-A22 PolarHBondContact N-O 2.78Å; Q11-A22 PolarHBondContact O-N 3.33Å; Q11-F149 HydrophobicContact CB-CE2 4.12Å; Q11-F149 HydrophobicContact CB-CZ 4.14Å; Q11-E151 PolarHBondContact NE2-OE1 3.34Å; Q11-E151 PolarHBondContact OE1-OE1 2.95Å; Q11-E151 VanDerWaalsContact OE1-OE1 3.08Å
12D97.3Very high82.9Confident71 Ų7179.3 Ų79.338%0.3843%0.428SS..EExtended strand (participates in β ladder)trans-117.2138.9176.5-69.3-3.3000108.4K10 K19 V20 T21K10-D12 VanDerWaalsContact CE-OD1 3.3Å; K10-D12 WeakPolarHBondContact CE-OD1 3.02Å; D12-K19 WeakPolarHBondContact OD2-CE 3.38Å; D12-K19 IonicContact OD2-NZ 2.73Å; D12-K19 PolarHBondContact OD2-NZ 3Å; D12-V20 CarbonylContact C-O 3.58Å; D12-V20 VanDerWaalsContact CA-O 3.27Å; D12-V20 WeakPolarHBondContact CA-O 3.27Å; D12-T21 WeakPolarHBondContact OD1-CG2 3.2Å; D12-T21 PolarHBondContact OD1-OG1 3.02Å
13F97.8Very high86.1Confident46 Ų4671.3 Ų71.320%0.20239%0.39CS..EExtended strand (participates in β ladder)trans-137.5140.9174.5-173.3-92.3000110.2F15 V20 M148 F149 V174F13-F15 HydrophobicContact CE1-CB 4.32Å; F13-V20 HydrophobicContact CB-CB 4.43Å; F13-V20 PolarHBondContact N-O 2.94Å; F13-V20 PolarHBondContact O-N 2.81Å; F13-M148 HydrophobicContact CE1-CB 4.48Å; F13-M148 HydrophobicContact CE1-CE 4.13Å; F13-M148 HydrophobicContact CE2-CB 4.25Å; F13-M148 HydrophobicContact CZ-CB 3.7Å; F13-M148 HydrophobicContact CZ-CE 3.98Å; F13-F149 HydrophobicContact CB-CB 4.11Å; F13-F149 HydrophobicContact CB-CD1 3.88Å; F13-F149 HydrophobicContact CB-CD2 3.57Å; F13-F149 HydrophobicContact CB-CE1 4.12Å; F13-F149 HydrophobicContact CB-CE2 3.83Å; F13-F149 HydrophobicContact CB-CG 3.58Å; F13-F149 HydrophobicContact CB-CZ 4.07Å; F13-F149 HydrophobicContact CD1-CB 3.83Å; F13-F149 HydrophobicContact CD1-CG 4.22Å; F13-F149 HydrophobicContact CD2-CB 3.62Å; F13-F149 AromaticContact CD2-CD2 3.81Å; F13-F149 HydrophobicContact CD2-CD2 3.81Å; F13-F149 AromaticContact CD2-CG 3.9Å; F13-F149 HydrophobicContact CD2-CG 3.9Å; F13-F149 HydrophobicContact CE1-CB 4.16Å; F13-F149 HydrophobicContact CE2-CB 3.94Å; F13-F149 HydrophobicContact CG-CB 3.56Å; F13-F149 HydrophobicContact CG-CD1 4.24Å; F13-F149 AromaticContact CG-CD2 3.84Å; F13-F149 HydrophobicContact CG-CD2 3.84Å; F13-F149 AromaticContact CG-CG 3.63Å; F13-F149 HydrophobicContact CG-CG 3.63Å; F13-F149 HydrophobicContact CZ-CB 4.21Å; F13-V174 HydrophobicContact CD1-CB 4.32Å; F13-V174 HydrophobicContact CD1-CG1 4.1Å; F13-V174 HydrophobicContact CD1-CG2 4.29Å; F13-V174 HydrophobicContact CE1-CB 4.16Å; F13-V174 HydrophobicContact CE1-CG1 3.67Å
14T97.7Very high89Confident98 Ų9865.6 Ų65.660%0.60136%0.358SS*.EExtended strand (participates in β ladder)trans-110129.4179.7-61.30000110.5G16 W18T14-G16 WeakPolarHBondContact CG2-O 3.28Å; T14-W18 CarbonylContact C-O 3.56Å; T14-W18 WeakPolarHBondContact CA-O 3.39Å
15F95.3Very high91.6Very high12 Ų1258.1 Ų58.15%0.05333%0.325CS..EExtended strand (participates in β ladder)trans-128.498.5176.7177-104.1000109.1F13 S17 W18 M148 V174 M175 P176 F179 Y203 D205F13-F15 HydrophobicContact CE1-CB 4.32Å; F15-S17 PolarHBondContact O-N 2.87Å; F15-W18 PolarHBondContact N-O 3.45Å; F15-W18 WeakPolarHBondContact O-CA 3.47Å; F15-W18 VanDerWaalsContact O-CB 3.28Å; F15-W18 WeakPolarHBondContact O-CB 3.47Å; F15-W18 PolarHBondContact O-N 3.2Å; F15-M148 HydrophobicContact CD2-CE 4.1Å; F15-M148 HydrophobicContact CE2-CE 4.45Å; F15-V174 HydrophobicContact CB-CG1 3.92Å; F15-V174 HydrophobicContact CD2-CG1 3.68Å; F15-V174 HydrophobicContact CE2-CG1 4.44Å; F15-V174 HydrophobicContact CG-CG1 3.86Å; F15-M175 WeakPolarHBondContact CE2-O 3.33Å; F15-P176 WeakPolarHBondContact CE2-O 3.23Å; F15-F179 AromaticContact CD1-CD1 3.72Å; F15-F179 HydrophobicContact CD1-CD1 3.72Å; F15-F179 HydrophobicContact CD1-CE1 4.14Å; F15-F179 HydrophobicContact CE1-CD1 4.03Å; F15-F179 HydrophobicContact CE1-CE1 4.49Å; F15-Y203 HydrophobicContact CD1-CD1 4.43Å; F15-Y203 HydrophobicContact CD1-CE1 4.45Å; F15-Y203 AromaticContact CE1-CD1 3.83Å; F15-Y203 HydrophobicContact CE1-CD1 3.83Å; F15-Y203 AromaticContact CE1-CE1 3.82Å; F15-Y203 HydrophobicContact CE1-CE1 3.82Å; F15-D205 HydrophobicContact CZ-CB 4.08Å
16G93.4Very high93.4Very high60 Ų6059.2 Ų59.262%0.61931%0.314SS*.THydrogen-bonded Turntrans55.2-123.7-171.800000111.2T14 W18T14-G16 WeakPolarHBondContact CG2-O 3.28Å; G16-W18 VanDerWaalsContact C-N 3.26Å; G16-W18 PolarHBondContact O-N 3.01Å
17S93.9Very high94.7Very high52 Ų5257.5 Ų57.536%0.36431%0.309SS..THydrogen-bonded Turntrans-83.14.7176.6-56.10000114.3F15 H59 I60F15-S17 PolarHBondContact O-N 2.87Å; S17-H59 WeakPolarHBondContact CB-NE2 3.37Å; S17-H59 CarbonylContact O-C 3.53Å; S17-H59 WeakPolarHBondContact O-CA 3.11Å; S17-H59 PolarHBondContact O-CD2 2.77Å; S17-I60 PolarHBondContact O-N 3.44Å
18W95.6Very high95.7Very high6 Ų650.6 Ų50.62%0.02328%0.28CS..EExtended strand (participates in β ladder)trans-103.4134.3-179.3-60.796.6000111.8T14 F15 G16 I57 H59 Y63 F179 Y203 M210 L255T14-W18 CarbonylContact C-O 3.56Å; T14-W18 WeakPolarHBondContact CA-O 3.39Å; F15-W18 PolarHBondContact N-O 3.45Å; F15-W18 WeakPolarHBondContact O-CA 3.47Å; F15-W18 VanDerWaalsContact O-CB 3.28Å; F15-W18 WeakPolarHBondContact O-CB 3.47Å; F15-W18 PolarHBondContact O-N 3.2Å; G16-W18 VanDerWaalsContact C-N 3.26Å; G16-W18 PolarHBondContact O-N 3.01Å; W18-I57 HydrophobicContact CD2-CG2 4.29Å; W18-I57 HydrophobicContact CE3-CG2 3.61Å; W18-I57 HydrophobicContact CZ3-CG2 4.19Å; W18-H59 AromaticContact CE2-CD2 3.85Å; W18-H59 HydrophobicContact CE3-CB 3.95Å; W18-H59 HydrophobicContact CH2-CB 3.9Å; W18-H59 HydrophobicContact CZ2-CB 4.45Å; W18-H59 AromaticContact CZ2-CD2 3.8Å; W18-H59 HydrophobicContact CZ3-CB 3.62Å; W18-Y63 HydrophobicContact CH2-CD2 4.17Å; W18-Y63 AromaticContact CH2-CE2 3.56Å; W18-Y63 HydrophobicContact CH2-CE2 3.56Å; W18-Y63 HydrophobicContact CZ2-CE2 4.28Å; W18-Y63 HydrophobicContact CZ3-CE2 4.23Å; W18-F179 HydrophobicContact CB-CE1 4.44Å; W18-F179 HydrophobicContact CD2-CE1 4.42Å; W18-F179 HydrophobicContact CG-CE1 4.06Å; W18-Y203 AromaticContact CD1-CE1 3.7Å; W18-Y203 AromaticContact NE1-CD1 3.94Å; W18-Y203 AromaticContact NE1-CE1 3.35Å; W18-Y203 VanDerWaalsContact NE1-CE1 3.35Å; W18-Y203 AromaticContact NE1-CZ 3.4Å; W18-M210 HydrophobicContact CD2-CE 4.14Å; W18-M210 HydrophobicContact CE3-CE 3.83Å; W18-M210 HydrophobicContact CH2-CE 3.07Å; W18-M210 HydrophobicContact CZ2-CE 3.5Å; W18-M210 VanDerWaalsContact CZ2-CE 3.5Å; W18-M210 HydrophobicContact CZ3-CE 3.27Å; W18-L255 HydrophobicContact CH2-CD1 3.65Å; W18-L255 HydrophobicContact CH2-CD2 3.95Å; W18-L255 HydrophobicContact CH2-CG 4.3Å; W18-L255 HydrophobicContact CZ2-CD1 3.33Å; W18-L255 HydrophobicContact CZ2-CG 4.38Å
19K97.3Very high95.9Very high84 Ų8454.4 Ų54.437%0.36529%0.289SS..EExtended strand (participates in β ladder)trans-108118.9167.2-174177.1179.3178.10109.5D12 I57 Q58D12-K19 WeakPolarHBondContact OD2-CE 3.38Å; D12-K19 IonicContact OD2-NZ 2.73Å; D12-K19 PolarHBondContact OD2-NZ 3Å; K19-I57 WeakPolarHBondContact O-CA 3.43Å; K19-Q58 PolarHBondContact N-O 3.29Å; K19-Q58 PolarHBondContact O-N 2.93Å
20V98.1Very high95.6Very high0 Ų056.3 Ų56.30%030%0.302CS..EExtended strand (participates in β ladder)trans-90.5131.9168.5-175.70000108.3D12 F13 L55 R56 I57 F149 I172 V174D12-V20 CarbonylContact C-O 3.58Å; D12-V20 VanDerWaalsContact CA-O 3.27Å; D12-V20 WeakPolarHBondContact CA-O 3.27Å; F13-V20 HydrophobicContact CB-CB 4.43Å; F13-V20 PolarHBondContact N-O 2.94Å; F13-V20 PolarHBondContact O-N 2.81Å; V20-L55 HydrophobicContact CG1-CD1 4.46Å; V20-R56 CarbonylContact C-O 3.52Å; V20-R56 WeakPolarHBondContact CA-O 3.47Å; V20-I57 HydrophobicContact CG2-CG1 4.47Å; V20-F149 HydrophobicContact CB-CE1 4.34Å; V20-F149 HydrophobicContact CG1-CD1 4.26Å; V20-F149 HydrophobicContact CG1-CE1 3.69Å; V20-I172 HydrophobicContact CG1-CD1 3.92Å; V20-I172 HydrophobicContact CG1-CG2 4.12Å; V20-I172 HydrophobicContact CG2-CD1 3.96Å; V20-V174 HydrophobicContact CG2-CG2 4.17Å
21T98.4Very high95.3Very high14 Ų1457.8 Ų57.89%0.08631%0.309CS..EExtended strand (participates in β ladder)trans-129.2122.1176.5-61.30000108.7K10 Q11 D12 L55 R56K10-T21 HydrophobicContact CG-CG2 4.45Å; Q11-T21 CarbonylContact O-C 3.59Å; Q11-T21 WeakPolarHBondContact O-CA 3.47Å; D12-T21 WeakPolarHBondContact OD1-CG2 3.2Å; D12-T21 PolarHBondContact OD1-OG1 3.02Å; T21-L55 CarbonylContact O-C 3.57Å; T21-L55 WeakPolarHBondContact O-CA 3.46Å; T21-R56 PolarHBondContact N-O 3.13Å; T21-R56 PolarHBondContact O-N 3.17Å
22A98.3Very high95Very high1 Ų156.8 Ų56.81%0.00831%0.306CS..EExtended strand (participates in β ladder)trans-115.5115.3173.800000109K10 Q11 L55 E151 V153K10-A22 CarbonylContact C-O 3.46Å; K10-A22 VanDerWaalsContact CA-O 3.31Å; K10-A22 WeakPolarHBondContact CA-O 3.34Å; Q11-A22 PolarHBondContact N-O 2.78Å; Q11-A22 PolarHBondContact O-N 3.33Å; A22-L55 HydrophobicContact CB-CD1 3.62Å; A22-E151 HydrophobicContact CB-CB 3.83Å; A22-E151 HydrophobicContact CB-CG 3.82Å; A22-V153 HydrophobicContact CB-CG2 4.06Å
23A97.7Very high94.7Very high12 Ų1255 Ų5510%0.09930%0.296CS..EExtended strand (participates in β ladder)trans-114.2128.7174.100000110S9 N53 V54S9-A23 WeakPolarHBondContact O-CA 3.3Å; A23-N53 WeakPolarHBondContact O-CA 3.22Å; A23-V54 HydrophobicContact CB-CG1 3.77Å; A23-V54 PolarHBondContact N-O 3.03Å; A23-V54 PolarHBondContact O-N 3.21Å; A23-V54 VanDerWaalsContact O-N 3.12Å
24K97.2Very high94.3Very high50 Ų5058.7 Ų58.722%0.21731%0.314CS..EExtended strand (participates in β ladder)trans-122.8127.2175.2-51.2-179.7-161.4-176.40108.3F6 S8 S9 N53 E151 E152 V153F6-K24 HydrophobicContact CZ-CB 4.23Å; S8-K24 CarbonylContact C-O 3.57Å; S8-K24 WeakPolarHBondContact CA-O 3.38Å; S9-K24 PolarHBondContact N-O 3.46Å; S9-K24 PolarHBondContact O-N 3.43Å; K24-N53 WeakPolarHBondContact CA-OD1 3.06Å; K24-E151 WeakPolarHBondContact CE-OE2 3.44Å; K24-E151 IonicContact NZ-OE2 2.69Å; K24-E151 PolarHBondContact NZ-OE2 3.04Å; K24-E152 WeakPolarHBondContact CE-O 3.34Å; K24-E152 PolarHBondContact NZ-O 3.06Å; K24-V153 HydrophobicContact CG-CG2 4.19Å
25N94.9Very high94Very high34 Ų3460.6 Ų60.618%0.18231%0.31CS..  trans-133.1174.7-173.2-73.4-59.5000109.1F6 S8 Y50 D52 N53F6-N25 WeakPolarHBondContact CE1-O 3.27Å; F6-N25 VanDerWaalsContact CZ-O 3.27Å; F6-N25 WeakPolarHBondContact CZ-O 3.19Å; S8-N25 VanDerWaalsContact CB-OD1 3.22Å; S8-N25 WeakPolarHBondContact CB-OD1 3.31Å; S8-N25 PolarHBondContact OG-OD1 2.87Å; N25-Y50 VanDerWaalsContact O-CD1 3.25Å; N25-Y50 WeakPolarHBondContact O-CD1 3.27Å; N25-D52 HydrophobicContact CB-CB 3.77Å; N25-D52 WeakPolarHBondContact ND2-CB 3.43Å; N25-D52 PolarHBondContact ND2-O 2.78Å; N25-N53 WeakPolarHBondContact CA-OD1 3.18Å; N25-N53 PolarHBondContact N-OD1 2.99Å; N25-N53 PolarHBondContact O-OD1 2.98Å
26H93.1Very high93.9Very high83 Ų8360.7 Ų60.738%0.38431%0.311SS..PPolyproline II helixtrans-74.5163.9177.861.1-73000110.9F6F6-H26 HydrophobicContact CD1-CB 4.16Å
27I94.3Very high93.8Very high77 Ų7758.2 Ų58.240%0.39529%0.285SS..PPolyproline II helixtrans-60.7148.1171.461.2174.8000110.8M48 L49 Y50I27-M48 HydrophobicContact CG2-CB 4.24Å; I27-L49 CarbonylContact C-O 3.55Å; I27-L49 WeakPolarHBondContact CA-O 3.43Å; I27-Y50 HydrophobicContact CG2-CD1 4Å; I27-Y50 HydrophobicContact CG2-CD2 4.44Å; I27-Y50 HydrophobicContact CG2-CE1 3.57Å; I27-Y50 HydrophobicContact CG2-CE2 4.02Å; I27-Y50 HydrophobicContact CG2-CG 4.43Å
28M93.8Very high93.5Very high40 Ų4062.1 Ų62.120%0.19730%0.302CS..PPolyproline II helixtrans-60.5148.7176.1-71.2-177.868.700111.2D32 I33 L36 L49M28-D32 HydrophobicContact CE-CB 3.71Å; M28-I33 HydrophobicContact CB-CD1 4.15Å; M28-I33 HydrophobicContact CB-CG1 3.77Å; M28-L36 HydrophobicContact CE-CB 4.41Å; M28-L36 HydrophobicContact CE-CD2 3.91Å; M28-L36 HydrophobicContact SD-CD2 3.99Å; M28-L49 HydrophobicContact CG-CG 4.37Å; M28-L49 PolarHBondContact N-O 2.78Å; M28-L49 HydrophobicContact SD-CD2 3.51Å; M28-L49 VanDerWaalsContact SD-CD2 3.51Å; M28-L49 HydrophobicContact SD-CG 3.74Å
29K92.2Very high93.3Very high137 Ų13768 Ų6860%0.59633%0.33SS*.PPolyproline II helixtrans-79.3151176.3-62.7175.3-174.7170.50109.8K31 D32 I33K29-K31 VanDerWaalsContact C-N 3.29Å; K29-K31 PolarHBondContact O-N 2.76Å; K29-K31 VanDerWaalsContact O-N 3.14Å; K29-D32 WeakPolarHBondContact O-CA 3.38Å; K29-D32 PolarHBondContact O-N 3.11Å; K29-I33 PolarHBondContact O-N 3.08Å
30S88.5Confident92.9Very high86 Ų8665.1 Ų65.160%0.60132%0.318SS*.Hα-helixtrans-50.7-44-176-45.90000113.8D32 I33 E34S30-D32 VanDerWaalsContact C-N 3.3Å; S30-D32 PolarHBondContact O-N 3.38Å; S30-I33 WeakPolarHBondContact O-CB 3.38Å; S30-I33 PolarHBondContact O-N 3.42Å; S30-I33 VanDerWaalsContact O-N 3.16Å; S30-E34 WeakPolarHBondContact O-CG 3.23Å; S30-E34 PolarHBondContact O-N 3.26Å
31K89.6Confident92.4Very high173 Ų17369 Ų6975%0.75234%0.339SS*.Hα-helixtrans-62.2-35177.7-66.1-171.2177.2-172.40113.7K29 R35K29-K31 VanDerWaalsContact C-N 3.29Å; K29-K31 PolarHBondContact O-N 2.76Å; K29-K31 VanDerWaalsContact O-N 3.14Å; K31-R35 PolarHBondContact O-N 3.44Å
32D90.8Very high91.7Very high56 Ų5668.8 Ų68.830%0.29934%0.337SS..Hα-helixtrans-77.8-31.5177.8-66.9-55.2000111.1M28 K29 S30 R35 L36M28-D32 HydrophobicContact CE-CB 3.71Å; K29-D32 WeakPolarHBondContact O-CA 3.38Å; K29-D32 PolarHBondContact O-N 3.11Å; S30-D32 VanDerWaalsContact C-N 3.3Å; S30-D32 PolarHBondContact O-N 3.38Å; D32-R35 IonicContact OD1-CZ 3.58Å; D32-R35 IonicContact OD1-NE 3.31Å; D32-R35 IonicContact OD1-NH2 3.83Å; D32-R35 PolarHBondContact OD1-NH2 2.68Å; D32-L36 VanDerWaalsContact O-CB 3.27Å; D32-L36 WeakPolarHBondContact O-CB 3.43Å; D32-L36 PolarHBondContact O-N 3.08Å
33I91.2Very high91Very high34 Ų3471.9 Ų71.917%0.17436%0.357CS..Hα-helixtrans-63.8-49.9172-75.9168.4000110.8M28 K29 S30 R35 L36 A37 L45M28-I33 HydrophobicContact CB-CD1 4.15Å; M28-I33 HydrophobicContact CB-CG1 3.77Å; K29-I33 PolarHBondContact O-N 3.08Å; S30-I33 WeakPolarHBondContact O-CB 3.38Å; S30-I33 PolarHBondContact O-N 3.42Å; S30-I33 VanDerWaalsContact O-N 3.16Å; I33-R35 PolarHBondContact O-N 2.86Å; I33-L36 PolarHBondContact O-N 3.15Å; I33-A37 WeakPolarHBondContact O-CB 3.33Å; I33-A37 PolarHBondContact O-N 2.83Å; I33-L45 HydrophobicContact CG2-CB 4.11Å; I33-L45 HydrophobicContact CG2-CD1 4.23Å; I33-L45 HydrophobicContact CG2-CG 4.37Å
34E89.4Confident90.4Very high124 Ų12474.1 Ų74.158%0.57937%0.371SS*.Hα-helixtrans-57.4-49.3179.1-72.9166.2-159.900111.2S30 L36 A37 D38S30-E34 WeakPolarHBondContact O-CG 3.23Å; S30-E34 PolarHBondContact O-N 3.26Å; E34-L36 VanDerWaalsContact C-N 3.34Å; E34-L36 PolarHBondContact O-N 2.66Å; E34-A37 WeakPolarHBondContact O-CB 3.43Å; E34-A37 PolarHBondContact O-N 3.45Å; E34-D38 PolarHBondContact O-N 3.42Å; E34-D38 VanDerWaalsContact O-N 3.08Å
35R92.1Very high90.2Very high138 Ų13872.3 Ų72.352%0.52136%0.364SS..Hα-helixtrans-59.4-43.8176.7176.9173.757.7130.7-4.9112.4K31 D32 I33 A37 D38 E39K31-R35 PolarHBondContact O-N 3.44Å; D32-R35 IonicContact OD1-CZ 3.58Å; D32-R35 IonicContact OD1-NE 3.31Å; D32-R35 IonicContact OD1-NH2 3.83Å; D32-R35 PolarHBondContact OD1-NH2 2.68Å; I33-R35 PolarHBondContact O-N 2.86Å; R35-A37 VanDerWaalsContact C-N 3.34Å; R35-D38 PolarHBondContact O-N 2.9Å; R35-E39 WeakPolarHBondContact O-CG 3.16Å; R35-E39 PolarHBondContact O-N 2.82Å
36L92.8Very high90.1Very high13 Ų1370.7 Ų70.77%0.06836%0.355CS..Hα-helixtrans-69.3-34.5179.6-179.362.8000111.7M28 D32 I33 E34 D38 E39 L40 L45 L49 I70M28-L36 HydrophobicContact CE-CB 4.41Å; M28-L36 HydrophobicContact CE-CD2 3.91Å; M28-L36 HydrophobicContact SD-CD2 3.99Å; D32-L36 VanDerWaalsContact O-CB 3.27Å; D32-L36 WeakPolarHBondContact O-CB 3.43Å; D32-L36 PolarHBondContact O-N 3.08Å; I33-L36 PolarHBondContact O-N 3.15Å; E34-L36 VanDerWaalsContact C-N 3.34Å; E34-L36 PolarHBondContact O-N 2.66Å; L36-D38 VanDerWaalsContact C-N 3.32Å; L36-E39 PolarHBondContact O-N 2.84Å; L36-L40 HydrophobicContact CD1-CD1 3.98Å; L36-L40 HydrophobicContact CD1-CG 3.94Å; L36-L40 HydrophobicContact CD2-CD1 4.48Å; L36-L40 HydrophobicContact CG-CD1 3.93Å; L36-L40 HydrophobicContact CG-CG 4.25Å; L36-L40 WeakPolarHBondContact O-CB 3.48Å; L36-L40 VanDerWaalsContact O-CG 3.3Å; L36-L40 WeakPolarHBondContact O-CG 3.48Å; L36-L40 PolarHBondContact O-N 2.75Å; L36-L45 HydrophobicContact CB-CD1 3.79Å; L36-L45 HydrophobicContact CD2-CD1 3.7Å; L36-L45 HydrophobicContact CG-CD1 3.69Å; L36-L49 HydrophobicContact CD2-CD2 3.84Å; L36-I70 HydrophobicContact CD1-CG2 4.25Å; L36-I70 HydrophobicContact CD2-CD1 4.46Å; L36-I70 HydrophobicContact CD2-CG1 4.09Å
37A89.8Confident90Very high8 Ų871.6 Ų71.67%0.06636%0.36CS..Hα-helixtrans-60.6-45175.100000110.6I33 E34 R35 L40 N41 M42 L45I33-A37 WeakPolarHBondContact O-CB 3.33Å; I33-A37 PolarHBondContact O-N 2.83Å; E34-A37 WeakPolarHBondContact O-CB 3.43Å; E34-A37 PolarHBondContact O-N 3.45Å; R35-A37 VanDerWaalsContact C-N 3.34Å; A37-L40 CarbonylContact O-C 3.55Å; A37-L40 PolarHBondContact O-N 2.82Å; A37-N41 WeakPolarHBondContact O-CA 3.08Å; A37-N41 PolarHBondContact O-N 3.16Å; A37-M42 PolarHBondContact O-N 2.76Å; A37-L45 HydrophobicContact CB-CD1 4.34Å; A37-L45 HydrophobicContact CB-CD2 4.38Å; A37-L45 HydrophobicContact CB-CG 3.95Å
38D89.3Confident90Very high135 Ų13570.2 Ų70.272%0.72235%0.352SS*.Hα-helixtrans-61.4-46.6173.9-70.7-26.3000111.8E34 R35 L36 L40 N41E34-D38 PolarHBondContact O-N 3.42Å; E34-D38 VanDerWaalsContact O-N 3.08Å; R35-D38 PolarHBondContact O-N 2.9Å; L36-D38 VanDerWaalsContact C-N 3.32Å; D38-L40 VanDerWaalsContact C-N 3.29Å; D38-L40 PolarHBondContact O-N 3.12Å; D38-N41 PolarHBondContact O-N 2.84Å; D38-N41 VanDerWaalsContact O-N 3.1Å
39E91.3Very high90.1Very high130 Ų13068.3 Ų68.361%0.60734%0.343SS*.Hα-helixtrans-60.9-36.3178-74.5175.6-166.400112.6R35 L36R35-E39 WeakPolarHBondContact O-CG 3.16Å; R35-E39 PolarHBondContact O-N 2.82Å; L36-E39 PolarHBondContact O-N 2.84Å
40L88.6Confident90.3Very high22 Ų2263.6 Ų63.612%0.11532%0.322CS..Hα-helixtrans-86.9-5177.7-63.4-179.6000113.1L36 A37 D38 M42 L45 L73 K74 N78L36-L40 HydrophobicContact CD1-CD1 3.98Å; L36-L40 HydrophobicContact CD1-CG 3.94Å; L36-L40 HydrophobicContact CD2-CD1 4.48Å; L36-L40 HydrophobicContact CG-CD1 3.93Å; L36-L40 HydrophobicContact CG-CG 4.25Å; L36-L40 WeakPolarHBondContact O-CB 3.48Å; L36-L40 VanDerWaalsContact O-CG 3.3Å; L36-L40 WeakPolarHBondContact O-CG 3.48Å; L36-L40 PolarHBondContact O-N 2.75Å; A37-L40 CarbonylContact O-C 3.55Å; A37-L40 PolarHBondContact O-N 2.82Å; D38-L40 VanDerWaalsContact C-N 3.29Å; D38-L40 PolarHBondContact O-N 3.12Å; L40-M42 HydrophobicContact CB-CB 4.49Å; L40-M42 HydrophobicContact CB-CG 3.9Å; L40-M42 HydrophobicContact CB-SD 3.8Å; L40-M42 HydrophobicContact CD1-SD 3.9Å; L40-M42 PolarHBondContact O-N 2.87Å; L40-L45 HydrophobicContact CD1-CD2 4.14Å; L40-L73 HydrophobicContact CD1-CB 3.82Å; L40-L73 HydrophobicContact CD1-CD1 4.34Å; L40-K74 HydrophobicContact CD2-CD 4.47Å; L40-K74 HydrophobicContact CD2-CG 3.51Å; L40-N78 PolarHBondContact O-ND2 3.1Å
41N86.7Confident90.6Very high83 Ų8360 Ų6044%0.44430%0.298SS..THydrogen-bonded Turntrans50.745.8-171-178.854.8000111.8A37 D38 K106A37-N41 WeakPolarHBondContact O-CA 3.08Å; A37-N41 PolarHBondContact O-N 3.16Å; D38-N41 PolarHBondContact O-N 2.84Å; D38-N41 VanDerWaalsContact O-N 3.1Å; N41-K106 PolarHBondContact OD1-NZ 2.79Å
42M84.6Confident90.9Very high8 Ų856.9 Ų56.94%0.03929%0.29CS..  trans-110.4137.7175.7-66.1173.97100109.3A37 L40 S44 L45 L73 V76 N78 F108 F112A37-M42 PolarHBondContact O-N 2.76Å; L40-M42 HydrophobicContact CB-CB 4.49Å; L40-M42 HydrophobicContact CB-CG 3.9Å; L40-M42 HydrophobicContact CB-SD 3.8Å; L40-M42 HydrophobicContact CD1-SD 3.9Å; L40-M42 PolarHBondContact O-N 2.87Å; M42-S44 PolarHBondContact O-N 2.91Å; M42-L45 HydrophobicContact CB-CD2 4.08Å; M42-L45 HydrophobicContact CE-CD2 3.91Å; M42-L45 HydrophobicContact CG-CD2 4.47Å; M42-L45 HydrophobicContact SD-CD2 3.64Å; M42-L73 HydrophobicContact CE-CD2 4.1Å; M42-L73 HydrophobicContact SD-CB 4.29Å; M42-V76 HydrophobicContact CE-CB 4.36Å; M42-V76 HydrophobicContact CE-CG1 4.31Å; M42-N78 VanDerWaalsContact CG-ND2 3.33Å; M42-N78 WeakPolarHBondContact CG-ND2 3.4Å; M42-F108 HydrophobicContact CB-CE2 4.2Å; M42-F108 HydrophobicContact CB-CZ 4.48Å; M42-F108 HydrophobicContact CE-CE2 3.51Å; M42-F108 HydrophobicContact CE-CZ 3.34Å; M42-F108 HydrophobicContact CG-CE2 3.89Å; M42-F108 HydrophobicContact CG-CZ 4.45Å; M42-F108 HydrophobicContact SD-CE2 4.49Å; M42-F112 HydrophobicContact CE-CD1 3.74Å; M42-F112 HydrophobicContact CE-CE1 3.82Å
43P83.2Confident91.3Very high67 Ų6754.5 Ų54.544%0.43528%0.277SS..SBendtrans-62.9-32.4178.3-21.332.3000113.4F108P43-F108 VanDerWaalsContact CD-CG 3.5Å; P43-F108 HydrophobicContact CG-CB 3.89Å; P43-F108 HydrophobicContact CG-CD1 4.1Å; P43-F108 HydrophobicContact CG-CG 3.93Å
44S85.8Confident91.6Very high58 Ų5853.9 Ų53.941%0.40628%0.275SS..  trans-154.1162.8176.657.40000109.8M42M42-S44 PolarHBondContact O-N 2.91Å
45L91.4Very high92Very high12 Ų1248 Ų486%0.06325%0.248CC..  trans-114.7164173-58.1-175.9000109.5I33 L36 A37 L40 M42 L49 L73I33-L45 HydrophobicContact CG2-CB 4.11Å; I33-L45 HydrophobicContact CG2-CD1 4.23Å; I33-L45 HydrophobicContact CG2-CG 4.37Å; L36-L45 HydrophobicContact CB-CD1 3.79Å; L36-L45 HydrophobicContact CD2-CD1 3.7Å; L36-L45 HydrophobicContact CG-CD1 3.69Å; A37-L45 HydrophobicContact CB-CD1 4.34Å; A37-L45 HydrophobicContact CB-CD2 4.38Å; A37-L45 HydrophobicContact CB-CG 3.95Å; L40-L45 HydrophobicContact CD1-CD2 4.14Å; M42-L45 HydrophobicContact CB-CD2 4.08Å; M42-L45 HydrophobicContact CE-CD2 3.91Å; M42-L45 HydrophobicContact CG-CD2 4.47Å; M42-L45 HydrophobicContact SD-CD2 3.64Å; L45-L49 HydrophobicContact CB-CD2 4.19Å; L45-L49 HydrophobicContact CD1-CD2 3.64Å; L45-L73 HydrophobicContact CD2-CD1 4.26Å
46P93.5Very high92.3Very high0 Ų045.3 Ų45.30%024%0.238CC..  trans-51.8139.4175.3-30.237.4000113.3M48 L73 F112 F156 D158P46-M48 VanDerWaalsContact C-N 3.27Å; P46-M48 PolarHBondContact O-N 3.16Å; P46-L73 HydrophobicContact CG-CD2 3.95Å; P46-F112 HydrophobicContact CB-CE2 4.45Å; P46-F112 HydrophobicContact CG-CD1 4.02Å; P46-F112 HydrophobicContact CG-CD2 3.87Å; P46-F112 HydrophobicContact CG-CE1 4.14Å; P46-F112 HydrophobicContact CG-CE2 4Å; P46-F112 HydrophobicContact CG-CG 3.88Å; P46-F112 HydrophobicContact CG-CZ 4.13Å; P46-F156 HydrophobicContact CB-CB 3.91Å; P46-F156 HydrophobicContact CB-CD2 3.91Å; P46-F156 HydrophobicContact CB-CG 4.11Å; P46-F156 HydrophobicContact CG-CB 4.03Å; P46-F156 HydrophobicContact CG-CD1 4.33Å; P46-F156 HydrophobicContact CG-CD2 3.57Å; P46-F156 HydrophobicContact CG-CE2 4.05Å; P46-F156 HydrophobicContact CG-CG 3.75Å; P46-D158 WeakPolarHBondContact CA-OD2 3.48Å; P46-D158 HydrophobicContact CB-CB 4.11Å
47E90.3Very high92.5Very high102 Ų10244.8 Ų44.848%0.47724%0.235SC..THydrogen-bonded Turntrans-54.4-41.9179.7-72.7-176.8-179.300113D158E47-D158 PolarHBondContact N-OD2 2.83Å
48M94.4Very high92.8Very high48 Ų4846.8 Ų46.824%0.23624%0.243CC..EExtended strand (participates in β ladder)trans-107.874.2178.1-64.3173.1-85.900110.3I27 P46 Y50 F156 E157 E159I27-M48 HydrophobicContact CG2-CB 4.24Å; P46-M48 VanDerWaalsContact C-N 3.27Å; P46-M48 PolarHBondContact O-N 3.16Å; M48-Y50 HydrophobicContact CB-CE2 4.15Å; M48-Y50 WeakPolarHBondContact O-CD2 3.33Å; M48-F156 CarbonylContact O-C 3.57Å; M48-F156 WeakPolarHBondContact O-CA 3.38Å; M48-E157 WeakPolarHBondContact CA-O 3.26Å; M48-E157 HydrophobicContact CB-CB 4.2Å; M48-E157 WeakPolarHBondContact CB-O 3.34Å; M48-E157 HydrophobicContact CE-CB 3.77Å; M48-E157 HydrophobicContact CE-CG 3.57Å; M48-E157 PolarHBondContact N-O 2.82Å; M48-E157 PolarHBondContact O-N 3.42Å; M48-E157 HydrophobicContact SD-CB 4.43Å; M48-E159 HydrophobicContact CE-CG 4.39Å
49L96.6Very high93Very high0 Ų040.9 Ų40.90%021%0.211CC..EExtended strand (participates in β ladder)trans-91.1118.5176.9-179.358.2000112.2I27 M28 L36 L45 G51 A69 L73 F156I27-L49 CarbonylContact C-O 3.55Å; I27-L49 WeakPolarHBondContact CA-O 3.43Å; M28-L49 HydrophobicContact CG-CG 4.37Å; M28-L49 PolarHBondContact N-O 2.78Å; M28-L49 HydrophobicContact SD-CD2 3.51Å; M28-L49 VanDerWaalsContact SD-CD2 3.51Å; M28-L49 HydrophobicContact SD-CG 3.74Å; L36-L49 HydrophobicContact CD2-CD2 3.84Å; L45-L49 HydrophobicContact CB-CD2 4.19Å; L45-L49 HydrophobicContact CD1-CD2 3.64Å; L49-G51 PolarHBondContact O-N 2.69Å; L49-A69 HydrophobicContact CD1-CB 3.56Å; L49-L73 HydrophobicContact CD1-CD1 3.69Å; L49-L73 HydrophobicContact CD2-CD1 4.03Å; L49-F156 HydrophobicContact CD1-CB 3.93Å
50Y96.8Very high93Very high38 Ų3840 Ų4015%0.14921%0.209CC..  trans-100.375.6176.8-59-94.6000111.3N25 I27 M48 D52 N53 L154 L155N25-Y50 VanDerWaalsContact O-CD1 3.25Å; N25-Y50 WeakPolarHBondContact O-CD1 3.27Å; I27-Y50 HydrophobicContact CG2-CD1 4Å; I27-Y50 HydrophobicContact CG2-CD2 4.44Å; I27-Y50 HydrophobicContact CG2-CE1 3.57Å; I27-Y50 HydrophobicContact CG2-CE2 4.02Å; I27-Y50 HydrophobicContact CG2-CG 4.43Å; M48-Y50 HydrophobicContact CB-CE2 4.15Å; M48-Y50 WeakPolarHBondContact O-CD2 3.33Å; Y50-D52 VanDerWaalsContact C-N 3.29Å; Y50-D52 PolarHBondContact O-N 2.88Å; Y50-N53 VanDerWaalsContact CB-ND2 3.25Å; Y50-N53 WeakPolarHBondContact CB-ND2 2.97Å; Y50-N53 WeakPolarHBondContact O-CB 2.94Å; Y50-N53 PolarHBondContact O-N 2.94Å; Y50-L154 HydrophobicContact CD2-CD2 4.22Å; Y50-L154 HydrophobicContact CD2-CG 4.06Å; Y50-L154 HydrophobicContact CE2-CB 4.39Å; Y50-L154 HydrophobicContact CE2-CD2 3.42Å; Y50-L154 VanDerWaalsContact CE2-CD2 3.42Å; Y50-L154 HydrophobicContact CE2-CG 3.77Å; Y50-L155 WeakPolarHBondContact CB-O 3.25Å; Y50-L155 PolarHBondContact N-O 3.33Å
51G94.8Very high93.1Very high11 Ų1141.3 Ų41.311%0.11322%0.216CC..THydrogen-bonded Turntrans-59.5-33.3-173.700000115.2L49L49-G51 PolarHBondContact O-N 2.69Å
52D96.1Very high93.2Very high108 Ų10843.9 Ų43.958%0.57823%0.225SC*.THydrogen-bonded Turntrans-92.63.4179.2-65.2-36.3000113.1N25 Y50N25-D52 HydrophobicContact CB-CB 3.77Å; N25-D52 WeakPolarHBondContact ND2-CB 3.43Å; N25-D52 PolarHBondContact ND2-O 2.78Å; Y50-D52 VanDerWaalsContact C-N 3.29Å; Y50-D52 PolarHBondContact O-N 2.88Å
53N97.9Very high93.5Very high5 Ų543.5 Ų43.53%0.02722%0.223CC..  trans-76.8133.7174.9-77.414.3000110A23 K24 N25 Y50 V153 L154 L155A23-N53 WeakPolarHBondContact O-CA 3.22Å; K24-N53 WeakPolarHBondContact CA-OD1 3.06Å; N25-N53 WeakPolarHBondContact CA-OD1 3.18Å; N25-N53 PolarHBondContact N-OD1 2.99Å; N25-N53 PolarHBondContact O-OD1 2.98Å; Y50-N53 VanDerWaalsContact CB-ND2 3.25Å; Y50-N53 WeakPolarHBondContact CB-ND2 2.97Å; Y50-N53 WeakPolarHBondContact O-CB 2.94Å; Y50-N53 PolarHBondContact O-N 2.94Å; N53-V153 HydrophobicContact CB-CG1 3.68Å; N53-L154 PolarHBondContact ND2-O 3.32Å; N53-L155 HydrophobicContact CB-CD2 4.27Å
54V98.1Very high94.1Very high22 Ų2240.5 Ų40.513%0.13320%0.204CC..EExtended strand (participates in β ladder)trans-147.5138.2177.360.80000110.9A23 R56 E66 F67A23-V54 HydrophobicContact CB-CG1 3.77Å; A23-V54 PolarHBondContact N-O 3.03Å; A23-V54 PolarHBondContact O-N 3.21Å; A23-V54 VanDerWaalsContact O-N 3.12Å; V54-R56 HydrophobicContact CG2-CB 4.15Å; V54-E66 HydrophobicContact CG2-CB 4.08Å; V54-F67 WeakPolarHBondContact CA-O 3.43Å
55L98.5Very high94.6Very high0 Ų037.8 Ų37.80%019%0.185CC..EExtended strand (participates in β ladder)trans-113.8117.4159.3-169.777.5000108.3V20 T21 A22 E66 F67 V153 V170 I172 L181V20-L55 HydrophobicContact CG1-CD1 4.46Å; T21-L55 CarbonylContact O-C 3.57Å; T21-L55 WeakPolarHBondContact O-CA 3.46Å; A22-L55 HydrophobicContact CB-CD1 3.62Å; L55-E66 CarbonylContact O-C 3.5Å; L55-E66 VanDerWaalsContact O-CA 3.31Å; L55-E66 WeakPolarHBondContact O-CA 3.45Å; L55-F67 PolarHBondContact N-O 3.45Å; L55-F67 VanDerWaalsContact N-O 3.13Å; L55-F67 PolarHBondContact O-N 3.1Å; L55-V153 HydrophobicContact CB-CG2 4.31Å; L55-V153 HydrophobicContact CD1-CG2 4.17Å; L55-V170 HydrophobicContact CB-CG1 3.51Å; L55-V170 HydrophobicContact CB-CG2 4.4Å; L55-V170 HydrophobicContact CD2-CB 4.27Å; L55-V170 HydrophobicContact CD2-CG1 3.92Å; L55-V170 HydrophobicContact CD2-CG2 3.5Å; L55-V170 HydrophobicContact CG-CG1 4.36Å; L55-I172 HydrophobicContact CD1-CG2 3.88Å; L55-I172 HydrophobicContact CD2-CB 4Å; L55-I172 HydrophobicContact CD2-CG2 3.91Å; L55-I172 HydrophobicContact CG-CG2 4.44Å; L55-L181 HydrophobicContact CD2-CD1 3.54Å; L55-L181 HydrophobicContact CD2-CG 4.2Å
56R98.3Very high94.9Very high82 Ų8238.3 Ų38.331%0.30919%0.187SC..EExtended strand (participates in β ladder)trans-122.9135.3-175.2178.1-178.3-61.4165.42.6110.5V20 T21 V54 Q58 E66 L121V20-R56 CarbonylContact C-O 3.52Å; V20-R56 WeakPolarHBondContact CA-O 3.47Å; T21-R56 PolarHBondContact N-O 3.13Å; T21-R56 PolarHBondContact O-N 3.17Å; V54-R56 HydrophobicContact CG2-CB 4.15Å; R56-Q58 HydrophobicContact CG-CB 4.24Å; R56-E66 HydrophobicContact CB-CB 3.93Å; R56-E66 HydrophobicContact CG-CB 4.05Å; R56-E66 IonicContact CZ-OE2 2.69Å; R56-E66 IonicContact NE-OE2 3.74Å; R56-E66 PolarHBondContact NE-OE2 3.49Å; R56-E66 IonicContact NH2-OE2 2.76Å; R56-E66 PolarHBondContact NH2-OE2 2.87Å; R56-L121 HydrophobicContact CG-CD1 3.77Å
57I97.4Very high95.1Very high1 Ų138.3 Ų38.31%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-116.8112.4169.2-56.5167.6000106.3W18 K19 V20 G64 I65 I172 F179 L181 M210W18-I57 HydrophobicContact CD2-CG2 4.29Å; W18-I57 HydrophobicContact CE3-CG2 3.61Å; W18-I57 HydrophobicContact CZ3-CG2 4.19Å; K19-I57 WeakPolarHBondContact O-CA 3.43Å; V20-I57 HydrophobicContact CG2-CG1 4.47Å; I57-G64 CarbonylContact O-C 3.49Å; I57-G64 VanDerWaalsContact O-CA 3.23Å; I57-G64 WeakPolarHBondContact O-CA 3.41Å; I57-I65 HydrophobicContact CB-CG2 4.18Å; I57-I65 HydrophobicContact CD1-CG2 4.33Å; I57-I65 PolarHBondContact N-O 3.06Å; I57-I65 PolarHBondContact O-N 3.43Å; I57-I172 HydrophobicContact CD1-CD1 3.82Å; I57-I172 HydrophobicContact CG1-CD1 4.06Å; I57-F179 HydrophobicContact CD1-CD2 4.23Å; I57-F179 HydrophobicContact CD1-CE2 3.79Å; I57-F179 HydrophobicContact CD1-CZ 4.36Å; I57-F179 HydrophobicContact CG2-CE1 4.4Å; I57-F179 HydrophobicContact CG2-CE2 4.4Å; I57-F179 HydrophobicContact CG2-CZ 3.9Å; I57-L181 HydrophobicContact CD1-CD1 3.69Å; I57-L181 HydrophobicContact CG1-CD1 4.47Å; I57-M210 HydrophobicContact CG2-CE 4.26Å
58Q95.5Very high95.5Very high51 Ų5134.2 Ų34.224%0.23817%0.169CC..EExtended strand (participates in β ladder)trans-125.5131.4-175.4-168.2171.731.500110.9K19 R56 H62K19-Q58 PolarHBondContact N-O 3.29Å; K19-Q58 PolarHBondContact O-N 2.93Å; R56-Q58 HydrophobicContact CG-CB 4.24Å; Q58-H62 PolarHBondContact NE2-O 2.84Å
59H93.7Very high95.6Very high11 Ų1132 Ų325%0.05116%0.158CC..EExtended strand (participates in β ladder)trans-74.5156.8171.4-166-104.7000110.4S17 W18 D61 H62 Y63S17-H59 WeakPolarHBondContact CB-NE2 3.37Å; S17-H59 CarbonylContact O-C 3.53Å; S17-H59 WeakPolarHBondContact O-CA 3.11Å; S17-H59 PolarHBondContact O-CD2 2.77Å; W18-H59 AromaticContact CE2-CD2 3.85Å; W18-H59 HydrophobicContact CE3-CB 3.95Å; W18-H59 HydrophobicContact CH2-CB 3.9Å; W18-H59 HydrophobicContact CZ2-CB 4.45Å; W18-H59 AromaticContact CZ2-CD2 3.8Å; W18-H59 HydrophobicContact CZ3-CB 3.62Å; H59-D61 IonicContact CE1-OD2 3.02Å; H59-D61 PolarHBondContact CE1-OD2 2.88Å; H59-D61 WeakPolarHBondContact ND1-CB 3.41Å; H59-D61 VanDerWaalsContact ND1-CG 3.33Å; H59-D61 PolarHBondContact ND1-N 2.85Å; H59-D61 VanDerWaalsContact ND1-N 3.17Å; H59-D61 IonicContact ND1-OD2 3.03Å; H59-D61 PolarHBondContact ND1-OD2 2.67Å; H59-D61 PolarHBondContact O-N 3.5Å; H59-D61 VanDerWaalsContact O-N 3.13Å; H59-H62 PolarHBondContact O-N 2.77Å; H59-Y63 HydrophobicContact CB-CD1 4.2Å; H59-Y63 HydrophobicContact CB-CD2 3.75Å; H59-Y63 HydrophobicContact CB-CE1 3.96Å; H59-Y63 HydrophobicContact CB-CE2 3.43Å; H59-Y63 VanDerWaalsContact CB-CE2 3.43Å; H59-Y63 HydrophobicContact CB-CG 4.11Å; H59-Y63 WeakPolarHBondContact CB-O 3.17Å; H59-Y63 AromaticContact CD2-CZ 3.9Å; H59-Y63 PolarHBondContact CD2-OH 2.73Å; H59-Y63 AromaticContact CE1-CZ 3.92Å; H59-Y63 PolarHBondContact CE1-OH 2.85Å; H59-Y63 AromaticContact CG-CE1 3.78Å; H59-Y63 AromaticContact CG-CE2 3.69Å; H59-Y63 AromaticContact CG-CZ 3.31Å; H59-Y63 VanDerWaalsContact CG-OH 3.29Å; H59-Y63 PolarHBondContact N-O 2.8Å; H59-Y63 AromaticContact ND1-CE1 3.39Å; H59-Y63 WeakPolarHBondContact ND1-CE1 3.47Å; H59-Y63 AromaticContact ND1-CZ 3.32Å; H59-Y63 VanDerWaalsContact ND1-CZ 3.32Å; H59-Y63 PolarHBondContact ND1-OH 2.78Å; H59-Y63 PolarHBondContact NE2-OH 3.18Å
60I91.8Very high95.6Very high110 Ų11034.3 Ų34.356%0.56417%0.17SC*.THydrogen-bonded Turntrans-56.1-26.8173.157.8175.8000113.3S17 H62S17-I60 PolarHBondContact O-N 3.44Å; I60-H62 PolarHBondContact O-N 2.86Å
61D89.3Confident95.6Very high50 Ų5034 Ų3427%0.26717%0.17SC..THydrogen-bonded Turntrans-84.218.4176.3-55.5-33.6000112.7H59 Y63 Q126 H257H59-D61 IonicContact CE1-OD2 3.02Å; H59-D61 PolarHBondContact CE1-OD2 2.88Å; H59-D61 WeakPolarHBondContact ND1-CB 3.41Å; H59-D61 VanDerWaalsContact ND1-CG 3.33Å; H59-D61 PolarHBondContact ND1-N 2.85Å; H59-D61 VanDerWaalsContact ND1-N 3.17Å; H59-D61 IonicContact ND1-OD2 3.03Å; H59-D61 PolarHBondContact ND1-OD2 2.67Å; H59-D61 PolarHBondContact O-N 3.5Å; H59-D61 VanDerWaalsContact O-N 3.13Å; D61-Y63 HydrophobicContact CB-CD1 3.66Å; D61-Y63 HydrophobicContact CB-CE1 3.51Å; D61-Y63 PolarHBondContact O-N 3.13Å; D61-Q126 PolarHBondContact O-NE2 2.78Å; D61-H257 IonicContact OD2-ND1 3.34Å
62H89Confident95.7Very high137 Ų13733.4 Ų33.463%0.63417%0.165SC*.SBendtrans68.5-6.5174.9-54.2-63.9000117.7Q58 H59 I60Q58-H62 PolarHBondContact NE2-O 2.84Å; H59-H62 PolarHBondContact O-N 2.77Å; I60-H62 PolarHBondContact O-N 2.86Å
63Y92.1Very high95.6Very high1 Ų128.3 Ų28.30%0.00414%0.137CC..  trans-77.9160.3169.866.8-101.3000112.2W18 H59 D61 L121 Q126 I127 L255W18-Y63 HydrophobicContact CH2-CD2 4.17Å; W18-Y63 AromaticContact CH2-CE2 3.56Å; W18-Y63 HydrophobicContact CH2-CE2 3.56Å; W18-Y63 HydrophobicContact CZ2-CE2 4.28Å; W18-Y63 HydrophobicContact CZ3-CE2 4.23Å; H59-Y63 HydrophobicContact CB-CD1 4.2Å; H59-Y63 HydrophobicContact CB-CD2 3.75Å; H59-Y63 HydrophobicContact CB-CE1 3.96Å; H59-Y63 HydrophobicContact CB-CE2 3.43Å; H59-Y63 VanDerWaalsContact CB-CE2 3.43Å; H59-Y63 HydrophobicContact CB-CG 4.11Å; H59-Y63 WeakPolarHBondContact CB-O 3.17Å; H59-Y63 AromaticContact CD2-CZ 3.9Å; H59-Y63 PolarHBondContact CD2-OH 2.73Å; H59-Y63 AromaticContact CE1-CZ 3.92Å; H59-Y63 PolarHBondContact CE1-OH 2.85Å; H59-Y63 AromaticContact CG-CE1 3.78Å; H59-Y63 AromaticContact CG-CE2 3.69Å; H59-Y63 AromaticContact CG-CZ 3.31Å; H59-Y63 VanDerWaalsContact CG-OH 3.29Å; H59-Y63 PolarHBondContact N-O 2.8Å; H59-Y63 AromaticContact ND1-CE1 3.39Å; H59-Y63 WeakPolarHBondContact ND1-CE1 3.47Å; H59-Y63 AromaticContact ND1-CZ 3.32Å; H59-Y63 VanDerWaalsContact ND1-CZ 3.32Å; H59-Y63 PolarHBondContact ND1-OH 2.78Å; H59-Y63 PolarHBondContact NE2-OH 3.18Å; D61-Y63 HydrophobicContact CB-CD1 3.66Å; D61-Y63 HydrophobicContact CB-CE1 3.51Å; D61-Y63 PolarHBondContact O-N 3.13Å; Y63-L121 CarbonylContact C-O 3.51Å; Y63-L121 WeakPolarHBondContact CA-O 3.25Å; Y63-L121 WeakPolarHBondContact CB-O 3.47Å; Y63-Q126 HydrophobicContact CD1-CB 4.06Å; Y63-Q126 HydrophobicContact CG-CB 4.21Å; Y63-I127 HydrophobicContact CD2-CD1 4.39Å; Y63-I127 HydrophobicContact CD2-CG1 4.21Å; Y63-I127 HydrophobicContact CG-CG1 4.34Å; Y63-L255 HydrophobicContact CD2-CD2 4.14Å; Y63-L255 HydrophobicContact CE2-CB 3.78Å; Y63-L255 HydrophobicContact CE2-CD2 3.77Å; Y63-L255 HydrophobicContact CE2-CG 4.21Å
64G93.9Very high95.4Very high3 Ų333.8 Ų33.83%0.03116%0.161CC..EExtended strand (participates in β ladder)trans167.4-155.117800000114.5I57 L121 I127I57-G64 CarbonylContact O-C 3.49Å; I57-G64 VanDerWaalsContact O-CA 3.23Å; I57-G64 WeakPolarHBondContact O-CA 3.41Å; G64-L121 PolarHBondContact N-O 2.74Å; G64-L121 PolarHBondContact O-N 3.05Å; G64-I127 VanDerWaalsContact O-CD1 3.25Å; G64-I127 WeakPolarHBondContact O-CD1 3.3Å
65I96.5Very high95.1Very high2 Ų238.5 Ų38.51%0.0118%0.18CC..EExtended strand (participates in β ladder)trans-142.5141176.1-172.7170.1000109.6I57 F67 T119 L120 V201 I253I57-I65 HydrophobicContact CB-CG2 4.18Å; I57-I65 HydrophobicContact CD1-CG2 4.33Å; I57-I65 PolarHBondContact N-O 3.06Å; I57-I65 PolarHBondContact O-N 3.43Å; I65-F67 HydrophobicContact CD1-CE2 4.06Å; I65-F67 HydrophobicContact CD1-CZ 3.81Å; I65-F67 HydrophobicContact CG1-CE2 3.96Å; I65-F67 HydrophobicContact CG1-CZ 4.17Å; I65-F67 HydrophobicContact CG2-CE2 4.37Å; I65-T119 CarbonylContact C-O 3.5Å; I65-T119 WeakPolarHBondContact CA-O 3.38Å; I65-L120 HydrophobicContact CB-CD2 4.35Å; I65-L120 HydrophobicContact CD1-CD2 4.21Å; I65-L120 HydrophobicContact CG1-CD2 4.27Å; I65-V201 HydrophobicContact CD1-CG2 4.47Å; I65-I253 HydrophobicContact CD1-CD1 4.37Å
66E97.5Very high94.6Very high23 Ų2338.8 Ų38.811%0.10718%0.182CC..EExtended strand (participates in β ladder)trans-131.7161.4172.368.4173.6-138.600112.6V54 L55 R56 N68 Y116 G118 T119 L121V54-E66 HydrophobicContact CG2-CB 4.08Å; L55-E66 CarbonylContact O-C 3.5Å; L55-E66 VanDerWaalsContact O-CA 3.31Å; L55-E66 WeakPolarHBondContact O-CA 3.45Å; R56-E66 HydrophobicContact CB-CB 3.93Å; R56-E66 HydrophobicContact CG-CB 4.05Å; R56-E66 IonicContact CZ-OE2 2.69Å; R56-E66 IonicContact NE-OE2 3.74Å; R56-E66 PolarHBondContact NE-OE2 3.49Å; R56-E66 IonicContact NH2-OE2 2.76Å; R56-E66 PolarHBondContact NH2-OE2 2.87Å; E66-N68 PolarHBondContact OE1-ND2 2.86Å; E66-N68 VanDerWaalsContact OE1-ND2 3.1Å; E66-Y116 PolarHBondContact O-OH 3.25Å; E66-Y116 VanDerWaalsContact O-OH 3.11Å; E66-G118 CarbonylContact O-C 3.56Å; E66-G118 VanDerWaalsContact O-CA 3.28Å; E66-G118 WeakPolarHBondContact O-CA 3.5Å; E66-T119 PolarHBondContact N-O 3.13Å; E66-T119 PolarHBondContact O-N 3.13Å; E66-L121 HydrophobicContact CB-CD1 4.14Å; E66-L121 HydrophobicContact CG-CD1 4.2Å; E66-L121 HydrophobicContact CG-CD2 3.92Å; E66-L121 HydrophobicContact CG-CG 4.17Å
67F98.5Very high93.6Very high0 Ų037.1 Ų37.10%018%0.179CC..EExtended strand (participates in β ladder)trans-128.3115.9179.4-62.6-96.3000107.8V54 L55 I65 Y116 L155 V170 L181 Q183 T199 V201V54-F67 WeakPolarHBondContact CA-O 3.43Å; L55-F67 PolarHBondContact N-O 3.45Å; L55-F67 VanDerWaalsContact N-O 3.13Å; L55-F67 PolarHBondContact O-N 3.1Å; I65-F67 HydrophobicContact CD1-CE2 4.06Å; I65-F67 HydrophobicContact CD1-CZ 3.81Å; I65-F67 HydrophobicContact CG1-CE2 3.96Å; I65-F67 HydrophobicContact CG1-CZ 4.17Å; I65-F67 HydrophobicContact CG2-CE2 4.37Å; F67-Y116 HydrophobicContact CB-CE1 4.43Å; F67-Y116 HydrophobicContact CD1-CE1 4.02Å; F67-L155 HydrophobicContact CB-CD1 4.36Å; F67-V170 HydrophobicContact CB-CB 4.27Å; F67-V170 HydrophobicContact CB-CG1 4.03Å; F67-V170 HydrophobicContact CB-CG2 4.18Å; F67-V170 HydrophobicContact CD1-CG2 4.28Å; F67-V170 HydrophobicContact CD2-CG2 4.13Å; F67-V170 HydrophobicContact CG-CB 4.49Å; F67-V170 HydrophobicContact CG-CG2 3.93Å; F67-L181 HydrophobicContact CD2-CD1 3.86Å; F67-L181 HydrophobicContact CD2-CD2 4.34Å; F67-L181 HydrophobicContact CE1-CD2 4.07Å; F67-L181 HydrophobicContact CE2-CD1 3.45Å; F67-L181 VanDerWaalsContact CE2-CD1 3.45Å; F67-L181 HydrophobicContact CE2-CD2 3.64Å; F67-L181 HydrophobicContact CE2-CG 4.24Å; F67-L181 HydrophobicContact CZ-CD1 4.18Å; F67-L181 HydrophobicContact CZ-CD2 3.47Å; F67-L181 VanDerWaalsContact CZ-CD2 3.47Å; F67-Q183 HydrophobicContact CD1-CB 3.82Å; F67-Q183 HydrophobicContact CD1-CG 4Å; F67-Q183 HydrophobicContact CE1-CB 3.79Å; F67-Q183 HydrophobicContact CE1-CG 4.31Å; F67-T199 HydrophobicContact CE1-CG2 4.47Å; F67-V201 HydrophobicContact CZ-CG2 4.17Å
68N98.4Very high92Very high16 Ų1638.9 Ų38.99%0.08619%0.188CC..EExtended strand (participates in β ladder)trans-136.1158179.770.569.1000110.3E66 I70 D71 A72 Y116E66-N68 PolarHBondContact OE1-ND2 2.86Å; E66-N68 VanDerWaalsContact OE1-ND2 3.1Å; N68-I70 PolarHBondContact OD1-N 3.14Å; N68-D71 PolarHBondContact ND2-OD2 3.09Å; N68-D71 WeakPolarHBondContact OD1-CB 3.36Å; N68-D71 PolarHBondContact OD1-N 2.86Å; N68-A72 PolarHBondContact O-N 2.84Å; N68-Y116 PolarHBondContact N-OH 2.98Å
69A97.3Very high89.8Confident0 Ų043.9 Ų43.90%021%0.213CC..Hα-helixtrans-70.2-37.9-174.800000112.7L49 A72 L73 L155L49-A69 HydrophobicContact CD1-CB 3.56Å; A69-A72 WeakPolarHBondContact O-CB 3.25Å; A69-A72 PolarHBondContact O-N 2.89Å; A69-L73 WeakPolarHBondContact O-CG 3.4Å; A69-L73 PolarHBondContact O-N 3.33Å; A69-L155 HydrophobicContact CB-CB 3.97Å; A69-L155 WeakPolarHBondContact CB-O 3.4Å
70I96.3Very high87.8Confident50 Ų5049.2 Ų49.226%0.25624%0.238SC..Hα-helixtrans-65.5-46.9-173.8-60.6175000111L36 N68 A72 L73 K74L36-I70 HydrophobicContact CD1-CG2 4.25Å; L36-I70 HydrophobicContact CD2-CD1 4.46Å; L36-I70 HydrophobicContact CD2-CG1 4.09Å; N68-I70 PolarHBondContact OD1-N 3.14Å; I70-A72 VanDerWaalsContact C-N 3.27Å; I70-A72 PolarHBondContact O-N 3Å; I70-L73 PolarHBondContact O-N 3.41Å; I70-K74 WeakPolarHBondContact O-CG 3.4Å; I70-K74 PolarHBondContact O-N 2.86Å
71D97Very high85.8Confident30 Ų3046 Ų4616%0.1622%0.223CC..Hα-helixtrans-70-27.7177.9-68.1-23.5000112.3N68 K74 Y116 T119N68-D71 PolarHBondContact ND2-OD2 3.09Å; N68-D71 WeakPolarHBondContact OD1-CB 3.36Å; N68-D71 PolarHBondContact OD1-N 2.86Å; D71-K74 IonicContact OD1-NZ 2.86Å; D71-K74 PolarHBondContact OD1-NZ 2.83Å; D71-Y116 HydrophobicContact CB-CD2 4.41Å; D71-Y116 HydrophobicContact CB-CE2 3.62Å; D71-T119 WeakPolarHBondContact CB-OG1 3.42Å; D71-T119 WeakPolarHBondContact OD2-CB 3.48Å; D71-T119 WeakPolarHBondContact OD2-CG2 3.39Å; D71-T119 PolarHBondContact OD2-OG1 3.32Å
72A96.6Very high83.9Confident0 Ų046.8 Ų46.80%023%0.229CC..Hα-helixtrans-66-41.1170.500000111.7N68 A69 I70 K75 T114 Y116 F156 I168N68-A72 PolarHBondContact O-N 2.84Å; A69-A72 WeakPolarHBondContact O-CB 3.25Å; A69-A72 PolarHBondContact O-N 2.89Å; I70-A72 VanDerWaalsContact C-N 3.27Å; I70-A72 PolarHBondContact O-N 3Å; A72-K75 WeakPolarHBondContact O-CB 3.48Å; A72-K75 PolarHBondContact O-N 3.01Å; A72-T114 HydrophobicContact CB-CG2 4.48Å; A72-T114 WeakPolarHBondContact O-CB 3.07Å; A72-T114 PolarHBondContact O-OG1 2.98Å; A72-Y116 HydrophobicContact CB-CD1 3.65Å; A72-Y116 HydrophobicContact CB-CE1 4.17Å; A72-Y116 HydrophobicContact CB-CG 3.83Å; A72-F156 HydrophobicContact CB-CE1 4.36Å; A72-I168 HydrophobicContact CB-CD1 4.07Å
73L94.8Very high82.1Confident0 Ų040.9 Ų40.90%020%0.203CC..Hα-helixtrans-68.9-34.5177.1-69.2167.8000112.7L40 M42 L45 P46 L49 A69 I70 K75 V76 F112 F156L40-L73 HydrophobicContact CD1-CB 3.82Å; L40-L73 HydrophobicContact CD1-CD1 4.34Å; M42-L73 HydrophobicContact CE-CD2 4.1Å; M42-L73 HydrophobicContact SD-CB 4.29Å; L45-L73 HydrophobicContact CD2-CD1 4.26Å; P46-L73 HydrophobicContact CG-CD2 3.95Å; L49-L73 HydrophobicContact CD1-CD1 3.69Å; L49-L73 HydrophobicContact CD2-CD1 4.03Å; A69-L73 WeakPolarHBondContact O-CG 3.4Å; A69-L73 PolarHBondContact O-N 3.33Å; I70-L73 PolarHBondContact O-N 3.41Å; L73-K75 PolarHBondContact O-N 2.82Å; L73-V76 HydrophobicContact CD2-CG2 4.34Å; L73-V76 VanDerWaalsContact O-CB 3.31Å; L73-V76 WeakPolarHBondContact O-CB 3.16Å; L73-V76 PolarHBondContact O-N 2.62Å; L73-F112 HydrophobicContact CD2-CD1 4.25Å; L73-F156 HydrophobicContact CD2-CD1 4.1Å; L73-F156 HydrophobicContact CD2-CE1 3.8Å; L73-F156 HydrophobicContact CD2-CZ 4.31Å; L73-F156 HydrophobicContact CG-CD1 4.25Å; L73-F156 HydrophobicContact CG-CE1 4.15Å
74K93Very high79.8Confident120 Ų12049.7 Ų49.752%0.52224%0.241SC..THydrogen-bonded Turntrans-59.4-18.5172-71.5174.2-169.3157.80113.9L40 I70 D71L40-K74 HydrophobicContact CD2-CD 4.47Å; L40-K74 HydrophobicContact CD2-CG 3.51Å; I70-K74 WeakPolarHBondContact O-CG 3.4Å; I70-K74 PolarHBondContact O-N 2.86Å; D71-K74 IonicContact OD1-NZ 2.86Å; D71-K74 PolarHBondContact OD1-NZ 2.83Å
75K91.4Very high77.3Confident121 Ų12153.3 Ų53.353%0.52626%0.262SS..THydrogen-bonded Turntrans-95.6-2.9177.2-68.9-66.3-172.51770113.4A72 L73 T114 Y116A72-K75 WeakPolarHBondContact O-CB 3.48Å; A72-K75 PolarHBondContact O-N 3.01Å; L73-K75 PolarHBondContact O-N 2.82Å; K75-T114 WeakPolarHBondContact CB-OG1 3.48Å; K75-Y116 HydrophobicContact CG-CD2 4.27Å
76V88.7Confident74.6Confident7 Ų757.6 Ų57.64%0.04230%0.298CS..BIsolated β-bridgetrans-68.7141170.1177.80000108.6M42 L73 N78 F108 D109 F112M42-V76 HydrophobicContact CE-CB 4.36Å; M42-V76 HydrophobicContact CE-CG1 4.31Å; L73-V76 HydrophobicContact CD2-CG2 4.34Å; L73-V76 VanDerWaalsContact O-CB 3.31Å; L73-V76 WeakPolarHBondContact O-CB 3.16Å; L73-V76 PolarHBondContact O-N 2.62Å; V76-N78 PolarHBondContact O-N 3.27Å; V76-N78 VanDerWaalsContact O-N 3.11Å; V76-N78 PolarHBondContact O-OD1 2.85Å; V76-F108 HydrophobicContact CG1-CE2 3.9Å; V76-F108 HydrophobicContact CG1-CZ 4.2Å; V76-D109 HydrophobicContact CG1-CB 4.24Å; V76-F112 HydrophobicContact CG2-CB 4.33Å
77N76.9Confident72Confident47 Ų4758.2 Ų58.225%0.25131%0.305SS..  trans-74104.1-179.9-171-1.8000110.2M79 E80 T82N77-M79 VanDerWaalsContact C-N 3.34Å; N77-M79 PolarHBondContact OD1-N 2.78Å; N77-M79 VanDerWaalsContact OD1-N 3.16Å; N77-E80 PolarHBondContact OD1-N 3.11Å; N77-T82 PolarHBondContact ND2-OG1 3.15Å; N77-T82 VanDerWaalsContact ND2-OG1 3.15Å
78N63.2Low69.6Low37 Ų3758.9 Ų58.920%0.19831%0.31CS..SBendtrans-90.65.6-179.4-64.3-4.1000113.4L40 M42 V76 F108L40-N78 PolarHBondContact O-ND2 3.1Å; M42-N78 VanDerWaalsContact CG-ND2 3.33Å; M42-N78 WeakPolarHBondContact CG-ND2 3.4Å; V76-N78 PolarHBondContact O-N 3.27Å; V76-N78 VanDerWaalsContact O-N 3.11Å; V76-N78 PolarHBondContact O-OD1 2.85Å; N78-F108 WeakPolarHBondContact OD1-CE2 3.28Å
79M50.1Low67.2Low156 Ų15664 Ų6477%0.76833%0.333SS*.SBendtrans-127.4-16.2-172.2-63.6-159.9-17800115.3N77N77-M79 VanDerWaalsContact C-N 3.34Å; N77-M79 PolarHBondContact OD1-N 2.78Å; N77-M79 VanDerWaalsContact OD1-N 3.16Å
80E51.6Low64.8Low124 Ų12470.1 Ų70.158%0.57936%0.362SS*.SBendtrans-133.8139.5176.8-56-177.7158.500111.5N77 T82N77-E80 PolarHBondContact OD1-N 3.11Å; E80-T82 PolarHBondContact O-N 2.84Å; E80-T82 PolarHBondContact O-OG1 2.94Å
81D50.6Low62.8Low43 Ų4369.4 Ų69.423%0.2336%0.356CS..  trans-64.388.5162.5-102.6-33000108.3V83 K84D81-V83 PolarHBondContact O-N 2.84Å; D81-K84 WeakPolarHBondContact O-CG 3.4Å
82T48.8Very low60.7Low65 Ų6572.4 Ų72.440%0.39937%0.369SS..  trans-73.1-16.5-179.1-8.80000112.1N77 E80 K84N77-T82 PolarHBondContact ND2-OG1 3.15Å; N77-T82 VanDerWaalsContact ND2-OG1 3.15Å; E80-T82 PolarHBondContact O-N 2.84Å; E80-T82 PolarHBondContact O-OG1 2.94Å; T82-K84 VanDerWaalsContact C-N 3.26Å; T82-K84 PolarHBondContact O-N 2.92Å; T82-K84 VanDerWaalsContact O-N 3.1Å
83V50.5Low58.5Low14 Ų1477.6 Ų77.69%0.08539%0.394CS..  trans-86.168.3170.9-168.40000109.5D81 V85 T111D81-V83 PolarHBondContact O-N 2.84Å; V83-V85 PolarHBondContact O-N 3.29Å; V83-T111 HydrophobicContact CG2-CG2 3.88Å
84K43.3Very low56.3Low185 Ų18580.7 Ų80.780%0.80442%0.415SS*.  trans-75.650.3169.6-70.4-170.8177.9173.70112.1D81 T82D81-K84 WeakPolarHBondContact O-CG 3.4Å; T82-K84 VanDerWaalsContact C-N 3.26Å; T82-K84 PolarHBondContact O-N 2.92Å; T82-K84 VanDerWaalsContact O-N 3.1Å
85V42.8Very low54.1Low79 Ų7979 Ų7948%0.47941%0.405SS..SBendtrans-132.785179.7-169.70000108.7V83 C87V83-V85 PolarHBondContact O-N 3.29Å; V85-C87 PolarHBondContact O-N 3.34Å
86A38.9Very low52.1Low93 Ų9376.4 Ų76.477%0.76941%0.407SS*.SBendtrans46.9-17.315900000121.3
87C43Very low49.9Very low36 Ų3685 Ų8524%0.24345%0.446CS..  trans-116.9-11.9-167.3-154.20000111.2V85 Q89 E90 W91 V192V85-C87 PolarHBondContact O-N 3.34Å; C87-Q89 PolarHBondContact O-N 3.11Å; C87-E90 PolarHBondContact O-N 3.3Å; C87-E90 PolarHBondContact SG-OE2 3.04Å; C87-W91 WeakPolarHBondContact O-CB 3.39Å; C87-W91 PolarHBondContact O-N 3.42Å; C87-V192 HydrophobicContact CB-CG2 4.25Å
88A49.1Very low48.4Very low14 Ų1484.8 Ų84.812%0.11645%0.448CS..Hα-helixtrans-54.7-30.3161.500000110.7Q92A88-Q92 WeakPolarHBondContact O-CB 3.31Å; A88-Q92 WeakPolarHBondContact O-CG 3.23Å; A88-Q92 PolarHBondContact O-N 2.87Å
89Q46.3Very low47.5Very low123 Ų12392.4 Ų92.458%0.57548%0.483SS*.Hα-helixtrans-74.2-47176.3-146.8176.6-35.200112.3C87 W91 Q92 E93C87-Q89 PolarHBondContact O-N 3.11Å; Q89-W91 VanDerWaalsContact C-N 3.33Å; Q89-W91 PolarHBondContact O-N 2.96Å; Q89-Q92 PolarHBondContact O-N 2.85Å; Q89-E93 PolarHBondContact NE2-OE1 2.83Å; Q89-E93 WeakPolarHBondContact O-CB 3.27Å; Q89-E93 WeakPolarHBondContact O-CG 3.44Å; Q89-E93 PolarHBondContact O-N 2.89Å
90E48.8Very low47Very low128 Ų12891.5 Ų91.560%0.59848%0.476SS*.Hα-helixtrans-64.5-34175.3-71.4177.1160.100112.8C87 S94C87-E90 PolarHBondContact O-N 3.3Å; C87-E90 PolarHBondContact SG-OE2 3.04Å; E90-S94 WeakPolarHBondContact O-CB 3.47Å; E90-S94 PolarHBondContact O-N 3.46Å
91W53.8Low46.5Very low35 Ų3587.8 Ų87.813%0.13347%0.467CS..Hα-helixtrans-74.7-37.8174.5-175.491000112.8C87 Q89 E93 S94 R95 W110C87-W91 WeakPolarHBondContact O-CB 3.39Å; C87-W91 PolarHBondContact O-N 3.42Å; Q89-W91 VanDerWaalsContact C-N 3.33Å; Q89-W91 PolarHBondContact O-N 2.96Å; W91-E93 VanDerWaalsContact C-N 3.34Å; W91-S94 PolarHBondContact O-OG 2.88Å; W91-S94 VanDerWaalsContact O-OG 3.08Å; W91-R95 PolarHBondContact O-N 2.82Å; W91-W110 HydrophobicContact CD2-CD2 4.19Å; W91-W110 AromaticContact CD2-CE2 3.92Å; W91-W110 HydrophobicContact CD2-CG 4.41Å; W91-W110 HydrophobicContact CD2-CZ2 4.31Å; W91-W110 AromaticContact CD2-NE1 3.95Å; W91-W110 AromaticContact CE2-CD2 3.83Å; W91-W110 AromaticContact CE3-CD1 3.85Å; W91-W110 HydrophobicContact CE3-CG 4.31Å; W91-W110 AromaticContact CE3-NE1 3.78Å; W91-W110 HydrophobicContact CG-CZ2 4.14Å; W91-W110 HydrophobicContact CH2-CB 3.68Å; W91-W110 AromaticContact CH2-CD1 3.79Å; W91-W110 HydrophobicContact CH2-CD2 4.22Å; W91-W110 AromaticContact CH2-CG 3.61Å; W91-W110 HydrophobicContact CH2-CG 3.61Å; W91-W110 HydrophobicContact CZ2-CB 3.9Å; W91-W110 AromaticContact CZ2-CD2 3.86Å; W91-W110 HydrophobicContact CZ2-CD2 3.86Å; W91-W110 HydrophobicContact CZ2-CE3 4.2Å; W91-W110 AromaticContact CZ2-CG 3.71Å; W91-W110 HydrophobicContact CZ2-CG 3.71Å; W91-W110 HydrophobicContact CZ3-CB 4.35Å; W91-W110 AromaticContact CZ3-CD1 3.61Å; W91-W110 AromaticContact CZ3-CG 3.93Å; W91-W110 HydrophobicContact CZ3-CG 3.93Å
92Q51.4Low45.9Very low93 Ų9394.1 Ų94.144%0.43550%0.495SS..Hα-helixtrans-65.5-39.2170.1-79.6171.61.300111.1A88 Q89 R95 A96A88-Q92 WeakPolarHBondContact O-CB 3.31Å; A88-Q92 WeakPolarHBondContact O-CG 3.23Å; A88-Q92 PolarHBondContact O-N 2.87Å; Q89-Q92 PolarHBondContact O-N 2.85Å; Q92-R95 PolarHBondContact O-N 3.22Å; Q92-A96 PolarHBondContact O-N 3.16Å; Q92-A96 VanDerWaalsContact O-N 3.09Å
93E51Low45.5Very low110 Ų11099.2 Ų99.251%0.51452%0.515SS..Hα-helixtrans-69.3-38.7178.7-75.5169.2-171.500111.9Q89 W91 R95 A96Q89-E93 PolarHBondContact NE2-OE1 2.83Å; Q89-E93 WeakPolarHBondContact O-CB 3.27Å; Q89-E93 WeakPolarHBondContact O-CG 3.44Å; Q89-E93 PolarHBondContact O-N 2.89Å; W91-E93 VanDerWaalsContact C-N 3.34Å; E93-R95 VanDerWaalsContact C-N 3.29Å; E93-R95 PolarHBondContact O-N 2.93Å; E93-A96 WeakPolarHBondContact O-CB 3.38Å; E93-A96 PolarHBondContact O-N 2.96Å
94S48.5Very low45.3Very low65 Ų65102.5 Ų102.546%0.45554%0.535SS..Hα-helixtrans-68.1-26.7176.172.60000113.4E90 W91E90-S94 WeakPolarHBondContact O-CB 3.47Å; E90-S94 PolarHBondContact O-N 3.46Å; W91-S94 PolarHBondContact O-OG 2.88Å; W91-S94 VanDerWaalsContact O-OG 3.08Å
95R48.2Very low45.5Very low84 Ų84101.2 Ų101.232%0.31754%0.536SS..Hα-helixtrans-83.8-21.6173.5-78.4-70.8-154.8139.18.2113.9W91 Q92 E93 E97 S98 H161W91-R95 PolarHBondContact O-N 2.82Å; Q92-R95 PolarHBondContact O-N 3.22Å; E93-R95 VanDerWaalsContact C-N 3.29Å; E93-R95 PolarHBondContact O-N 2.93Å; R95-E97 PolarHBondContact O-N 3.24Å; R95-S98 PolarHBondContact O-N 3.43Å; R95-S98 VanDerWaalsContact O-N 3.14Å; R95-S98 PolarHBondContact O-OG 2.85Å; R95-H161 PolarHBondContact NH2-CD2 2.88Å; R95-H161 VanDerWaalsContact NH2-CD2 3.29Å; R95-H161 PolarHBondContact NH2-CE1 2.79Å; R95-H161 PolarHBondContact NH2-NE2 3.23Å
96A48Very low46Very low67 Ų67103.4 Ų103.455%0.55454%0.539SS*.Hα-helixtrans-63.3-22.5178.700000113.2Q92 E93Q92-A96 PolarHBondContact O-N 3.16Å; Q92-A96 VanDerWaalsContact O-N 3.09Å; E93-A96 WeakPolarHBondContact O-CB 3.38Å; E93-A96 PolarHBondContact O-N 2.96Å
97E43.8Very low46.9Very low187 Ų187102.2 Ų102.287%0.87452%0.523SS*.THydrogen-bonded Turntrans-87.3-7.5177-67.2-166.415900114.4R95R95-E97 PolarHBondContact O-N 3.24Å
98S45.2Very low48Very low42 Ų42101.3 Ų101.329%0.29452%0.515SS..SBendtrans-88.7142.517870.90000111.5R95 H100 A101R95-S98 PolarHBondContact O-N 3.43Å; R95-S98 VanDerWaalsContact O-N 3.14Å; R95-S98 PolarHBondContact O-OG 2.85Å; S98-H100 PolarHBondContact O-N 2.85Å; S98-A101 VanDerWaalsContact O-CB 3.22Å; S98-A101 WeakPolarHBondContact O-CB 3.33Å; S98-A101 PolarHBondContact O-N 3.06Å
99E43.3Very low49.3Very low198 Ų198100.8 Ų100.893%0.92551%0.51SS*.THydrogen-bonded Turntrans-58.7-6.2-179.5-72.5-174.3155.200114.6
100H39.5Very low50.9Low136 Ų13696 Ų9663%0.6349%0.487SS*.THydrogen-bonded Turntrans-9810.2175.3-65.365.7000113.2S98 Q102 E103S98-H100 PolarHBondContact O-N 2.85Å; H100-Q102 PolarHBondContact O-N 2.95Å; H100-E103 PolarHBondContact O-N 3.07Å
101A40.9Very low52.8Low47 Ų4790 Ų9039%0.38846%0.459SS..THydrogen-bonded Turntrans-61.4-10.4-177.600000115.3S98S98-A101 VanDerWaalsContact O-CB 3.22Å; S98-A101 WeakPolarHBondContact O-CB 3.33Å; S98-A101 PolarHBondContact O-N 3.06Å
102Q38.2Very low54.6Low175 Ų17588.5 Ų88.582%0.81845%0.454SS*.THydrogen-bonded Turntrans-86.5-13.2-175.9-68.3-165.2-10.300115H100H100-Q102 PolarHBondContact O-N 2.95Å
103E41Very low56.5Low172 Ų17285 Ų8580%0.80444%0.439SS*.SBendtrans-96-10-175.5-77.4-171.1156.400115.2H100 L105H100-E103 PolarHBondContact O-N 3.07Å; E103-L105 PolarHBondContact O-N 3.21Å
104V46.9Very low58.5Low83 Ų8379.9 Ų79.950%0.50342%0.415SS..  trans-96.466-177.9-165.90000110.9
105L47.7Very low60.7Low159 Ų15980 Ų8083%0.83241%0.41SS*.  trans-103.4-1.8173.7-80.9169.6000113.8E103E103-L105 PolarHBondContact O-N 3.21Å
106K51.5Low63Low125 Ų12576.4 Ų76.454%0.54340%0.397SS..SBendtrans-100.6123.2176.3-68.4-177.3-179173.20109.7N41 F108N41-K106 PolarHBondContact OD1-NZ 2.79Å; K106-F108 PolarHBondContact O-N 2.82Å; K106-F108 VanDerWaalsContact O-N 3.12Å
107P58Low65.3Low68 Ų6875.5 Ų75.544%0.44238%0.379SS..  trans-58.9117.8169.824.1-30.7000108.4
108F66Low67.8Low17 Ų1767.1 Ų67.18%0.07534%0.343CS..  trans-145.8138.1-175.1167.7-102.7000109.8M42 P43 V76 N78 K106 W110 F112M42-F108 HydrophobicContact CB-CE2 4.2Å; M42-F108 HydrophobicContact CB-CZ 4.48Å; M42-F108 HydrophobicContact CE-CE2 3.51Å; M42-F108 HydrophobicContact CE-CZ 3.34Å; M42-F108 HydrophobicContact CG-CE2 3.89Å; M42-F108 HydrophobicContact CG-CZ 4.45Å; M42-F108 HydrophobicContact SD-CE2 4.49Å; P43-F108 VanDerWaalsContact CD-CG 3.5Å; P43-F108 HydrophobicContact CG-CB 3.89Å; P43-F108 HydrophobicContact CG-CD1 4.1Å; P43-F108 HydrophobicContact CG-CG 3.93Å; V76-F108 HydrophobicContact CG1-CE2 3.9Å; V76-F108 HydrophobicContact CG1-CZ 4.2Å; N78-F108 WeakPolarHBondContact OD1-CE2 3.28Å; K106-F108 PolarHBondContact O-N 2.82Å; K106-F108 VanDerWaalsContact O-N 3.12Å; F108-W110 PolarHBondContact O-N 3.39Å; F108-F112 HydrophobicContact CE1-CD1 4.38Å; F108-F112 AromaticContact CE1-CE1 3.89Å; F108-F112 HydrophobicContact CE1-CE1 3.89Å; F108-F112 HydrophobicContact CE1-CZ 4.5Å; F108-F112 AromaticContact CZ-CD1 3.85Å; F108-F112 HydrophobicContact CZ-CD1 3.85Å; F108-F112 AromaticContact CZ-CE1 3.66Å; F108-F112 HydrophobicContact CZ-CE1 3.66Å
109D76.8Confident70.2Confident2 Ų266.9 Ų66.91%0.01134%0.34CS..  trans-74.889.8175.3-176.717000112.2V76 T111 F112 T113V76-D109 HydrophobicContact CG1-CB 4.24Å; D109-T111 VanDerWaalsContact CG-OG1 3.24Å; D109-T111 PolarHBondContact O-N 3.2Å; D109-T111 VanDerWaalsContact O-N 3.09Å; D109-T111 VanDerWaalsContact OD1-CB 3.31Å; D109-T111 WeakPolarHBondContact OD1-CB 3.25Å; D109-T111 PolarHBondContact OD1-N 3.45Å; D109-T111 PolarHBondContact OD1-OG1 3.08Å; D109-T111 PolarHBondContact OD2-OG1 2.89Å; D109-F112 PolarHBondContact O-N 3.01Å; D109-T113 WeakPolarHBondContact OD2-CB 3.22Å; D109-T113 PolarHBondContact OD2-N 3.43Å
110W81.1Confident72.7Confident24 Ų2460.7 Ų60.79%0.09131%0.313CS..THydrogen-bonded Turntrans-62.9-10.1174.562.3-93000114W91 F108 F112 L160 V189W91-W110 HydrophobicContact CD2-CD2 4.19Å; W91-W110 AromaticContact CD2-CE2 3.92Å; W91-W110 HydrophobicContact CD2-CG 4.41Å; W91-W110 HydrophobicContact CD2-CZ2 4.31Å; W91-W110 AromaticContact CD2-NE1 3.95Å; W91-W110 AromaticContact CE2-CD2 3.83Å; W91-W110 AromaticContact CE3-CD1 3.85Å; W91-W110 HydrophobicContact CE3-CG 4.31Å; W91-W110 AromaticContact CE3-NE1 3.78Å; W91-W110 HydrophobicContact CG-CZ2 4.14Å; W91-W110 HydrophobicContact CH2-CB 3.68Å; W91-W110 AromaticContact CH2-CD1 3.79Å; W91-W110 HydrophobicContact CH2-CD2 4.22Å; W91-W110 AromaticContact CH2-CG 3.61Å; W91-W110 HydrophobicContact CH2-CG 3.61Å; W91-W110 HydrophobicContact CZ2-CB 3.9Å; W91-W110 AromaticContact CZ2-CD2 3.86Å; W91-W110 HydrophobicContact CZ2-CD2 3.86Å; W91-W110 HydrophobicContact CZ2-CE3 4.2Å; W91-W110 AromaticContact CZ2-CG 3.71Å; W91-W110 HydrophobicContact CZ2-CG 3.71Å; W91-W110 HydrophobicContact CZ3-CB 4.35Å; W91-W110 AromaticContact CZ3-CD1 3.61Å; W91-W110 AromaticContact CZ3-CG 3.93Å; W91-W110 HydrophobicContact CZ3-CG 3.93Å; F108-W110 PolarHBondContact O-N 3.39Å; W110-F112 VanDerWaalsContact C-N 3.25Å; W110-F112 WeakPolarHBondContact O-CD2 3.36Å; W110-F112 WeakPolarHBondContact O-CE2 3.21Å; W110-L160 HydrophobicContact CE3-CB 4.46Å; W110-L160 HydrophobicContact CE3-CD2 3.91Å; W110-L160 HydrophobicContact CZ3-CB 3.93Å; W110-L160 HydrophobicContact CZ3-CD1 3.89Å; W110-L160 HydrophobicContact CZ3-CD2 3.96Å; W110-L160 HydrophobicContact CZ3-CG 4.13Å; W110-V189 HydrophobicContact CH2-CG1 4.09Å; W110-V189 HydrophobicContact CH2-CG2 4.19Å
111T88Confident75.2Confident0 Ų055.8 Ų55.80%029%0.291CS..THydrogen-bonded Turntrans-82.1-7.2173.975.30000112.8V83 D109 T113 S166 L187 V189V83-T111 HydrophobicContact CG2-CG2 3.88Å; D109-T111 VanDerWaalsContact CG-OG1 3.24Å; D109-T111 PolarHBondContact O-N 3.2Å; D109-T111 VanDerWaalsContact O-N 3.09Å; D109-T111 VanDerWaalsContact OD1-CB 3.31Å; D109-T111 WeakPolarHBondContact OD1-CB 3.25Å; D109-T111 PolarHBondContact OD1-N 3.45Å; D109-T111 PolarHBondContact OD1-OG1 3.08Å; D109-T111 PolarHBondContact OD2-OG1 2.89Å; T111-T113 PolarHBondContact O-N 2.82Å; T111-T113 PolarHBondContact OG1-OG1 3.29Å; T111-S166 VanDerWaalsContact O-CB 3.28Å; T111-S166 WeakPolarHBondContact O-CB 3.4Å; T111-S166 PolarHBondContact O-OG 2.69Å; T111-L187 HydrophobicContact CG2-CD1 4.22Å; T111-L187 HydrophobicContact CG2-CD2 4.13Å; T111-V189 HydrophobicContact CG2-CG2 4.31Å
112F91.6Very high77.4Confident5 Ų556 Ų562%0.02230%0.298CS..  trans53.934.2-175.8-51.9-73.3000112.7M42 P46 L73 V76 F108 D109 W110 T114 F156 D158 F185M42-F112 HydrophobicContact CE-CD1 3.74Å; M42-F112 HydrophobicContact CE-CE1 3.82Å; P46-F112 HydrophobicContact CB-CE2 4.45Å; P46-F112 HydrophobicContact CG-CD1 4.02Å; P46-F112 HydrophobicContact CG-CD2 3.87Å; P46-F112 HydrophobicContact CG-CE1 4.14Å; P46-F112 HydrophobicContact CG-CE2 4Å; P46-F112 HydrophobicContact CG-CG 3.88Å; P46-F112 HydrophobicContact CG-CZ 4.13Å; L73-F112 HydrophobicContact CD2-CD1 4.25Å; V76-F112 HydrophobicContact CG2-CB 4.33Å; F108-F112 HydrophobicContact CE1-CD1 4.38Å; F108-F112 AromaticContact CE1-CE1 3.89Å; F108-F112 HydrophobicContact CE1-CE1 3.89Å; F108-F112 HydrophobicContact CE1-CZ 4.5Å; F108-F112 AromaticContact CZ-CD1 3.85Å; F108-F112 HydrophobicContact CZ-CD1 3.85Å; F108-F112 AromaticContact CZ-CE1 3.66Å; F108-F112 HydrophobicContact CZ-CE1 3.66Å; D109-F112 PolarHBondContact O-N 3.01Å; W110-F112 VanDerWaalsContact C-N 3.25Å; W110-F112 WeakPolarHBondContact O-CD2 3.36Å; W110-F112 WeakPolarHBondContact O-CE2 3.21Å; F112-T114 PolarHBondContact O-N 3.2Å; F112-F156 HydrophobicContact CB-CE2 4Å; F112-F156 HydrophobicContact CB-CZ 4.03Å; F112-D158 HydrophobicContact CD2-CB 4.23Å; F112-D158 HydrophobicContact CE2-CB 4.09Å; F112-F185 WeakPolarHBondContact O-CE2 3.45Å; F112-F185 WeakPolarHBondContact O-CZ 3.21Å
113T92.2Very high79.2Confident20 Ų2054.3 Ų54.312%0.12329%0.29CS..  trans-62.7124.1178.9-64.40000109.5D109 T111 F185 R195D109-T113 WeakPolarHBondContact OD2-CB 3.22Å; D109-T113 PolarHBondContact OD2-N 3.43Å; T111-T113 PolarHBondContact O-N 2.82Å; T111-T113 PolarHBondContact OG1-OG1 3.29Å; T113-F185 VanDerWaalsContact CA-CZ 3.49Å; T113-F185 HydrophobicContact CG2-CE1 4.13Å; T113-R195 PolarHBondContact OG1-NH1 3.42Å
114T93.1Very high80.4Confident1 Ų155 Ų551%0.00629%0.293CS..BIsolated β-bridgetrans-127.6137.4-179.3-178.80000111.3A72 K75 F112 Y116 I168 F185 N197A72-T114 HydrophobicContact CB-CG2 4.48Å; A72-T114 WeakPolarHBondContact O-CB 3.07Å; A72-T114 PolarHBondContact O-OG1 2.98Å; K75-T114 WeakPolarHBondContact CB-OG1 3.48Å; F112-T114 PolarHBondContact O-N 3.2Å; T114-Y116 VanDerWaalsContact C-N 3.3Å; T114-Y116 VanDerWaalsContact OG1-CB 3.23Å; T114-Y116 WeakPolarHBondContact OG1-CB 3.49Å; T114-Y116 PolarHBondContact OG1-N 2.85Å; T114-I168 HydrophobicContact CG2-CD1 4.03Å; T114-F185 HydrophobicContact CG2-CB 4.37Å; T114-F185 HydrophobicContact CG2-CD2 3.87Å; T114-F185 HydrophobicContact CG2-CE2 4.45Å; T114-F185 HydrophobicContact CG2-CG 4.19Å; T114-N197 PolarHBondContact O-ND2 3.13Å
115D93.2Very high81.3Confident68 Ų6857.3 Ų57.336%0.36430%0.302SS..  trans-94.313.7171.884.9-31000112.4R117 F214D115-R117 WeakPolarHBondContact O-CG 3.37Å; D115-R117 PolarHBondContact O-NE 2.96Å; D115-R117 IonicContact OD2-NH2 3.35Å; D115-F214 HydrophobicContact CB-CZ 4.03Å
116Y96.6Very high82.7Confident8 Ų851.7 Ų51.73%0.03127%0.271CS..  trans-50.7139-178.3179.8-114.6000112.9E66 F67 N68 D71 A72 K75 T114 G118 T119 I168 Q183 T199E66-Y116 PolarHBondContact O-OH 3.25Å; E66-Y116 VanDerWaalsContact O-OH 3.11Å; F67-Y116 HydrophobicContact CB-CE1 4.43Å; F67-Y116 HydrophobicContact CD1-CE1 4.02Å; N68-Y116 PolarHBondContact N-OH 2.98Å; D71-Y116 HydrophobicContact CB-CD2 4.41Å; D71-Y116 HydrophobicContact CB-CE2 3.62Å; A72-Y116 HydrophobicContact CB-CD1 3.65Å; A72-Y116 HydrophobicContact CB-CE1 4.17Å; A72-Y116 HydrophobicContact CB-CG 3.83Å; K75-Y116 HydrophobicContact CG-CD2 4.27Å; T114-Y116 VanDerWaalsContact C-N 3.3Å; T114-Y116 VanDerWaalsContact OG1-CB 3.23Å; T114-Y116 WeakPolarHBondContact OG1-CB 3.49Å; T114-Y116 PolarHBondContact OG1-N 2.85Å; Y116-G118 VanDerWaalsContact CZ-CA 3.44Å; Y116-T119 WeakPolarHBondContact CE2-OG1 3.34Å; Y116-T119 PolarHBondContact OH-N 3.4Å; Y116-T119 VanDerWaalsContact OH-N 3.13Å; Y116-T119 PolarHBondContact OH-OG1 3.02Å; Y116-I168 HydrophobicContact CD1-CD1 4.48Å; Y116-Q183 PolarHBondContact O-NE2 3.2Å; Y116-Q183 PolarHBondContact O-OE1 3.04Å; Y116-T199 PolarHBondContact O-OG1 3.29Å
117R96.3Very high84.3Confident48 Ų4846.6 Ų46.618%0.18125%0.25CC..  trans-133.926.8-171.8-43.4-172.8-173.7171.32.6113.3D115 T199 R212 F214D115-R117 WeakPolarHBondContact O-CG 3.37Å; D115-R117 PolarHBondContact O-NE 2.96Å; D115-R117 IonicContact OD2-NH2 3.35Å; R117-T199 HydrophobicContact CB-CG2 4.01Å; R117-R212 PolarHBondContact O-NH1 2.93Å; R117-F214 HydrophobicContact CG-CD2 3.93Å; R117-F214 HydrophobicContact CG-CE2 4.44Å; R117-F214 HydrophobicContact CG-CG 4.43Å
118G96.6Very high85.7Confident12 Ų1249 Ų4912%0.12425%0.253CS..  trans81.2151.9-171.300000113.1E66 Y116E66-G118 CarbonylContact O-C 3.56Å; E66-G118 VanDerWaalsContact O-CA 3.28Å; E66-G118 WeakPolarHBondContact O-CA 3.5Å; Y116-G118 VanDerWaalsContact CZ-CA 3.44Å
119T96.9Very high86.9Confident37 Ų3750.9 Ų50.923%0.22727%0.266CS..EExtended strand (participates in β ladder)trans-93.5123.8175.2-56.40000108.6I65 E66 D71 Y116I65-T119 CarbonylContact C-O 3.5Å; I65-T119 WeakPolarHBondContact CA-O 3.38Å; E66-T119 PolarHBondContact N-O 3.13Å; E66-T119 PolarHBondContact O-N 3.13Å; D71-T119 WeakPolarHBondContact CB-OG1 3.42Å; D71-T119 WeakPolarHBondContact OD2-CB 3.48Å; D71-T119 WeakPolarHBondContact OD2-CG2 3.39Å; D71-T119 PolarHBondContact OD2-OG1 3.32Å; Y116-T119 WeakPolarHBondContact CE2-OG1 3.34Å; Y116-T119 PolarHBondContact OH-N 3.4Å; Y116-T119 VanDerWaalsContact OH-N 3.13Å; Y116-T119 PolarHBondContact OH-OG1 3.02Å
120L94.8Very high87.7Confident68 Ų6852.6 Ų52.636%0.35628%0.277SS..EExtended strand (participates in β ladder)trans-76.5138.7176.6-60.5175.5000109.7I65 I127 V129 I253I65-L120 HydrophobicContact CB-CD2 4.35Å; I65-L120 HydrophobicContact CD1-CD2 4.21Å; I65-L120 HydrophobicContact CG1-CD2 4.27Å; L120-I127 HydrophobicContact CB-CD1 4.38Å; L120-I127 HydrophobicContact CD1-CG2 4Å; L120-I127 HydrophobicContact CD2-CD1 4.5Å; L120-I127 HydrophobicContact CD2-CG2 4.34Å; L120-V129 HydrophobicContact CD1-CG2 3.6Å; L120-I253 HydrophobicContact CD2-CD1 4.26Å; L120-I253 HydrophobicContact CD2-CG2 4.43Å
121L92.2Very high88.2Confident33 Ų3357.4 Ų57.417%0.17330%0.304CS..EExtended strand (participates in β ladder)trans-109.9139.5177.8-57.8176.7000109.1R56 Y63 G64 E66 I127R56-L121 HydrophobicContact CG-CD1 3.77Å; Y63-L121 CarbonylContact C-O 3.51Å; Y63-L121 WeakPolarHBondContact CA-O 3.25Å; Y63-L121 WeakPolarHBondContact CB-O 3.47Å; G64-L121 PolarHBondContact N-O 2.74Å; G64-L121 PolarHBondContact O-N 3.05Å; E66-L121 HydrophobicContact CB-CD1 4.14Å; E66-L121 HydrophobicContact CG-CD1 4.2Å; E66-L121 HydrophobicContact CG-CD2 3.92Å; E66-L121 HydrophobicContact CG-CG 4.17Å; L121-I127 WeakPolarHBondContact O-CD1 3.46Å
122G86Confident88.4Confident51 Ų5158.5 Ų58.553%0.52631%0.311SS..SBendtrans108.5172.4-179.700000113.2
123E76.8Confident88.4Confident139 Ų13967 Ų6765%0.6535%0.351SS*.  trans-76.7157.8178.5-64.7-176.8-179.400111.4L125 Q126 I127E123-L125 PolarHBondContact O-N 3.1Å; E123-Q126 HydrophobicContact CB-CG 4.47Å; E123-Q126 WeakPolarHBondContact O-CB 3.48Å; E123-Q126 PolarHBondContact O-N 3.37Å; E123-I127 PolarHBondContact O-N 3.43Å
124E65.5Low88.4Confident187 Ų18768.5 Ų68.587%0.87436%0.356SS*.THydrogen-bonded Turntrans-56.6-26.6179.1-68.1-171.916600113.3Q126E124-Q126 VanDerWaalsContact C-N 3.26Å; E124-Q126 PolarHBondContact O-N 2.77Å
125L67.3Low88.4Confident132 Ų13274 Ų7469%0.69138%0.377SS*.THydrogen-bonded Turntrans-73.5-14.5176.5-68.3169.2000113.5E123 Q256E123-L125 PolarHBondContact O-N 3.1Å; L125-Q256 PolarHBondContact O-OE1 3.34Å
126Q76.3Confident88.3Confident40 Ų4071.2 Ų71.219%0.18736%0.362CS..THydrogen-bonded Turntrans-99.4-29.5-177.5-57.9-177.8-65.400112.2D61 Y63 E123 E124 Q256D61-Q126 PolarHBondContact O-NE2 2.78Å; Y63-Q126 HydrophobicContact CD1-CB 4.06Å; Y63-Q126 HydrophobicContact CG-CB 4.21Å; E123-Q126 HydrophobicContact CB-CG 4.47Å; E123-Q126 WeakPolarHBondContact O-CB 3.48Å; E123-Q126 PolarHBondContact O-N 3.37Å; E124-Q126 VanDerWaalsContact C-N 3.26Å; E124-Q126 PolarHBondContact O-N 2.77Å; Q126-Q256 PolarHBondContact O-N 2.92Å
127I84.6Confident87.9Confident19 Ų1974.4 Ų74.410%0.09738%0.379CS..EExtended strand (participates in β ladder)trans-126.4122.3-178.9-62.8-177.3000110.9Y63 G64 L120 L121 E123 V129 I253Y63-I127 HydrophobicContact CD2-CD1 4.39Å; Y63-I127 HydrophobicContact CD2-CG1 4.21Å; Y63-I127 HydrophobicContact CG-CG1 4.34Å; G64-I127 VanDerWaalsContact O-CD1 3.25Å; G64-I127 WeakPolarHBondContact O-CD1 3.3Å; L120-I127 HydrophobicContact CB-CD1 4.38Å; L120-I127 HydrophobicContact CD1-CG2 4Å; L120-I127 HydrophobicContact CD2-CD1 4.5Å; L120-I127 HydrophobicContact CD2-CG2 4.34Å; L121-I127 WeakPolarHBondContact O-CD1 3.46Å; E123-I127 PolarHBondContact O-N 3.43Å; I127-V129 HydrophobicContact CG2-CG2 4.44Å; I127-I253 HydrophobicContact CG2-CG2 3.5Å
128K88.2Confident87.1Confident117 Ų11776.3 Ų76.351%0.50939%0.393SS..EExtended strand (participates in β ladder)trans-117.5119172.3-173.9-179.9-179.91780111T130 F254K128-T130 HydrophobicContact CD-CG2 4.2Å; K128-T130 HydrophobicContact CG-CG2 4.04Å; K128-F254 HydrophobicContact CB-CB 4.28Å; K128-F254 PolarHBondContact N-O 2.79Å; K128-F254 VanDerWaalsContact N-O 3.15Å; K128-F254 PolarHBondContact O-N 3.12Å
129V91Very high86.3Confident58 Ų5881.5 Ų81.535%0.35241%0.413SS..EExtended strand (participates in β ladder)trans-90.9127.3173.2-174.20000109.7L120 I127 T251 R252 I253L120-V129 HydrophobicContact CD1-CG2 3.6Å; I127-V129 HydrophobicContact CG2-CG2 4.44Å; V129-T251 HydrophobicContact CG1-CG2 3.93Å; V129-R252 WeakPolarHBondContact CA-O 3.24Å; V129-I253 HydrophobicContact CG2-CG1 4.48Å
130T92.8Very high85.4Confident37 Ų3784.2 Ų84.223%0.22742%0.422CS..EExtended strand (participates in β ladder)trans-133.4147.1175.362.50000111K128 T251 R252 F254K128-T130 HydrophobicContact CD-CG2 4.2Å; K128-T130 HydrophobicContact CG-CG2 4.04Å; T130-T251 CarbonylContact O-C 3.58Å; T130-T251 VanDerWaalsContact O-CA 3.28Å; T130-T251 WeakPolarHBondContact O-CA 3.49Å; T130-R252 PolarHBondContact N-O 3.48Å; T130-R252 PolarHBondContact O-N 2.95Å; T130-F254 HydrophobicContact CG2-CD2 4.05Å; T130-F254 HydrophobicContact CG2-CE2 4.04Å; T130-F254 WeakPolarHBondContact OG1-CE2 3.2Å
131N92.3Very high84.5Confident125 Ų12582 Ų8267%0.66841%0.411SS*.EExtended strand (participates in β ladder)trans-65.2149.8171.7-65.8-30.1000111.1
132T93.1Very high83.7Confident24 Ų2486.7 Ų86.715%0.14743%0.43CS..  trans-146.8162177.4-168.60000110.7E134 L211 L250 R252T132-E134 HydrophobicContact CG2-CB 4.26Å; T132-E134 PolarHBondContact OG1-N 3.08Å; T132-E134 VanDerWaalsContact OG1-N 3.15Å; T132-L211 HydrophobicContact CG2-CD2 4.31Å; T132-L250 HydrophobicContact CG2-CB 4.12Å; T132-L250 PolarHBondContact N-O 3.11Å; T132-L250 VanDerWaalsContact O-CB 3.28Å; T132-L250 WeakPolarHBondContact O-CB 3.47Å; T132-R252 HydrophobicContact CG2-CG 3.89Å; T132-R252 PolarHBondContact OG1-NE 3.35Å
133E91.6Very high83.1Confident183 Ų18387.1 Ų87.186%0.85543%0.428SS*.  trans-99.3-9.8167.7-62-179177.900111.8R135E133-R135 PolarHBondContact O-N 3.42Å
134E91.5Very high82.8Confident51 Ų5192.7 Ų92.724%0.23844%0.443CS..  trans-63.5133.1177.7-173.1-179177.700110.5T132 K207 Y209 L211 R252T132-E134 HydrophobicContact CG2-CB 4.26Å; T132-E134 PolarHBondContact OG1-N 3.08Å; T132-E134 VanDerWaalsContact OG1-N 3.15Å; E134-K207 IonicContact OE1-NZ 3.11Å; E134-K207 PolarHBondContact OE1-NZ 2.87Å; E134-Y209 PolarHBondContact OE1-OH 3.15Å; E134-Y209 VanDerWaalsContact OE1-OH 3.07Å; E134-Y209 WeakPolarHBondContact OE2-CE2 3.43Å; E134-Y209 PolarHBondContact OE2-OH 2.7Å; E134-Y209 VanDerWaalsContact OE2-OH 3.13Å; E134-L211 HydrophobicContact CB-CD2 4.08Å; E134-L211 HydrophobicContact CG-CD1 3.95Å; E134-L211 HydrophobicContact CG-CD2 3.98Å; E134-R252 IonicContact OE2-CZ 3.4Å; E134-R252 IonicContact OE2-NE 2.67Å; E134-R252 PolarHBondContact OE2-NE 2.93Å; E134-R252 IonicContact OE2-NH2 3.83Å; E134-R252 PolarHBondContact OE2-NH2 3.3Å
135R92.1Very high83.7Confident118 Ų11887.2 Ų87.245%0.44542%0.418SS..  trans-106.1151.4-179.9-56.6-65.3-78-91-18.3111.1E133 D137 E213 L250E133-R135 PolarHBondContact O-N 3.42Å; R135-D137 PolarHBondContact O-N 3.19Å; R135-E213 WeakPolarHBondContact CA-OE1 3.49Å; R135-E213 WeakPolarHBondContact CB-OE1 3.15Å; R135-E213 WeakPolarHBondContact CD-OE1 3.41Å; R135-E213 IonicContact NE-OE1 2.7Å; R135-E213 PolarHBondContact NE-OE1 3.32Å; R135-L250 HydrophobicContact CG-CD1 4.48Å
136I92.1Very high84.7Confident8 Ų887.8 Ų87.84%0.04142%0.416CS..  trans-65.8120.3166.7-62172.6000107.7I138 L141 F180 R200 Y202 L211 E213I136-I138 PolarHBondContact O-N 3.4Å; I136-L141 HydrophobicContact CG2-CD1 3.74Å; I136-F180 HydrophobicContact CD1-CE2 4.41Å; I136-F180 HydrophobicContact CG2-CD2 4.48Å; I136-F180 HydrophobicContact CG2-CE2 4.24Å; I136-R200 HydrophobicContact CD1-CB 3.63Å; I136-Y202 HydrophobicContact CG2-CG 4.14Å; I136-L211 HydrophobicContact CD1-CB 4.49Å; I136-L211 HydrophobicContact CG1-CB 3.87Å; I136-L211 HydrophobicContact CG1-CD1 4.25Å; I136-E213 HydrophobicContact CD1-CB 4.28Å; I136-E213 HydrophobicContact CD1-CG 3.71Å; I136-E213 HydrophobicContact CG1-CG 3.81Å; I136-E213 PolarHBondContact N-OE1 3.35Å
137D87.6Confident85.6Confident75 Ų7589.5 Ų89.540%0.40143%0.426SS..  trans-72.798.2176.4-171.5-18.2000110R135 E139 K140 L141R135-D137 PolarHBondContact O-N 3.19Å; D137-E139 PolarHBondContact O-N 2.95Å; D137-E139 WeakPolarHBondContact OD1-CB 3.44Å; D137-E139 PolarHBondContact OD1-N 3.4Å; D137-K140 HydrophobicContact CB-CB 4.21Å; D137-K140 HydrophobicContact CB-CD 4.14Å; D137-K140 HydrophobicContact CB-CG 4.13Å; D137-K140 PolarHBondContact O-N 2.79Å; D137-K140 PolarHBondContact OD1-N 2.95Å; D137-L141 PolarHBondContact O-N 2.92Å
138I80.6Confident86.1Confident89 Ų8992 Ų9246%0.45644%0.438SS..Hα-helixtrans-68.2-26.1179.6-58.4-171.4000111.2I136 L141 K142I136-I138 PolarHBondContact O-N 3.4Å; I138-L141 WeakPolarHBondContact O-CB 3.35Å; I138-L141 PolarHBondContact O-N 2.94Å; I138-L141 VanDerWaalsContact O-N 3.15Å; I138-K142 PolarHBondContact O-N 2.86Å; I138-K142 VanDerWaalsContact O-N 3.11Å
139E79.7Confident86.5Confident120 Ų12087.3 Ų87.356%0.56142%0.418SS*.Hα-helixtrans-68.6-39.2178.2-63-56.6136.600110.8D137 L141 K142 A143D137-E139 PolarHBondContact O-N 2.95Å; D137-E139 WeakPolarHBondContact OD1-CB 3.44Å; D137-E139 PolarHBondContact OD1-N 3.4Å; E139-L141 VanDerWaalsContact C-N 3.26Å; E139-L141 PolarHBondContact O-N 3.01Å; E139-K142 WeakPolarHBondContact O-CB 3.41Å; E139-K142 PolarHBondContact O-N 2.81Å; E139-K142 VanDerWaalsContact O-N 3.08Å; E139-K142 IonicContact OE1-NZ 2.86Å; E139-K142 PolarHBondContact OE1-NZ 2.87Å; E139-K142 WeakPolarHBondContact OE2-CD 3.29Å; E139-K142 IonicContact OE2-NZ 3.98Å; E139-K142 PolarHBondContact OE2-NZ 3.03Å; E139-A143 PolarHBondContact O-N 3.26Å
140K77.6Confident86.8Confident94 Ų9489.3 Ų89.341%0.40942%0.422SS..Hα-helixtrans-56.7-41168.6-77.8-173.8177.2-166.60111.9D137 K142 A143 E204D137-K140 HydrophobicContact CB-CB 4.21Å; D137-K140 HydrophobicContact CB-CD 4.14Å; D137-K140 HydrophobicContact CB-CG 4.13Å; D137-K140 PolarHBondContact O-N 2.79Å; D137-K140 PolarHBondContact OD1-N 2.95Å; K140-K142 PolarHBondContact O-N 3.26Å; K140-A143 WeakPolarHBondContact O-CB 3.4Å; K140-A143 PolarHBondContact O-N 2.82Å; K140-A143 VanDerWaalsContact O-N 3.11Å; K140-E204 IonicContact NZ-OE1 3.46Å; K140-E204 PolarHBondContact NZ-OE1 2.84Å; K140-E204 IonicContact NZ-OE2 3.22Å; K140-E204 PolarHBondContact NZ-OE2 3.09Å
141L75.4Confident87Confident22 Ų2288.5 Ų88.512%0.11542%0.416CS..Hα-helixtrans-71.3-15.1178.7-62.1176.4000114.4I136 D137 I138 E139 F180 Y202I136-L141 HydrophobicContact CG2-CD1 3.74Å; D137-L141 PolarHBondContact O-N 2.92Å; I138-L141 WeakPolarHBondContact O-CB 3.35Å; I138-L141 PolarHBondContact O-N 2.94Å; I138-L141 VanDerWaalsContact O-N 3.15Å; E139-L141 VanDerWaalsContact C-N 3.26Å; E139-L141 PolarHBondContact O-N 3.01Å; L141-F180 HydrophobicContact CD1-CD1 4.43Å; L141-F180 HydrophobicContact CD1-CD2 3.32Å; L141-F180 HydrophobicContact CD1-CE2 3.45Å; L141-F180 VanDerWaalsContact CD1-CE2 3.45Å; L141-F180 HydrophobicContact CD1-CG 3.83Å; L141-F180 HydrophobicContact CD1-CZ 4.06Å; L141-F180 HydrophobicContact CD2-CB 3.82Å; L141-F180 HydrophobicContact CD2-CD2 4.08Å; L141-F180 HydrophobicContact CD2-CG 4.05Å; L141-F180 HydrophobicContact CG-CD2 4.36Å; L141-Y202 HydrophobicContact CD2-CD2 3.87Å; L141-Y202 HydrophobicContact CD2-CE2 3.74Å
142K75.6Confident87.3Confident132 Ų13286 Ų8657%0.57440%0.4SS*.Hα-helixtrans-85.3-18.6171.5-69.5174.7-173.6167.60112.3I138 E139 K140 R144I138-K142 PolarHBondContact O-N 2.86Å; I138-K142 VanDerWaalsContact O-N 3.11Å; E139-K142 WeakPolarHBondContact O-CB 3.41Å; E139-K142 PolarHBondContact O-N 2.81Å; E139-K142 VanDerWaalsContact O-N 3.08Å; E139-K142 IonicContact OE1-NZ 2.86Å; E139-K142 PolarHBondContact OE1-NZ 2.87Å; E139-K142 WeakPolarHBondContact OE2-CD 3.29Å; E139-K142 IonicContact OE2-NZ 3.98Å; E139-K142 PolarHBondContact OE2-NZ 3.03Å; K140-K142 PolarHBondContact O-N 3.26Å; K142-R144 PolarHBondContact O-N 3.09Å
143A74.3Confident87.5Confident59 Ų5984.9 Ų84.949%0.48839%0.393SS..SBendtrans-59128.1172.100000108.5E139 K140 E145E139-A143 PolarHBondContact O-N 3.26Å; K140-A143 WeakPolarHBondContact O-CB 3.4Å; K140-A143 PolarHBondContact O-N 2.82Å; K140-A143 VanDerWaalsContact O-N 3.11Å; A143-E145 PolarHBondContact O-N 3.4Å
144R70.1Confident87.8Confident256 Ų25678 Ų7897%0.96636%0.362SS*.  trans-76.971.2-177.4-74.2-178.1168.6178.9-3.4110.4K142K142-R144 PolarHBondContact O-N 3.09Å
145E83.6Confident88Confident73 Ų7375.6 Ų75.634%0.34135%0.351SS..  trans-72146.4160.9-75.3-176.5-111.800109.9A143 I147 M175 S177A143-E145 PolarHBondContact O-N 3.4Å; E145-I147 PolarHBondContact O-N 2.79Å; E145-M175 HydrophobicContact CB-CB 4.06Å; E145-M175 HydrophobicContact CB-CG 4.01Å; E145-S177 PolarHBondContact OE1-OG 2.77Å; E145-S177 VanDerWaalsContact OE1-OG 3.13Å; E145-S177 PolarHBondContact OE2-OG 2.91Å
146H89.6Confident88.3Confident143 Ų14370 Ų7066%0.66233%0.33SS*.  trans-65.3122.8176176.1-86.2000109.7M148 P176H146-M148 PolarHBondContact O-N 3.15Å; H146-M148 VanDerWaalsContact O-N 3.15Å; H146-P176 WeakPolarHBondContact O-CD 3.45Å
147I93.8Very high88.5Confident77 Ų7771.3 Ų71.340%0.39534%0.335SS..  trans-74.1108.6177-59.6174.2000107.9E145 F149 F150 R173E145-I147 PolarHBondContact O-N 2.79Å; I147-F149 WeakPolarHBondContact CG2-O 3.41Å; I147-F150 HydrophobicContact CG2-CB 3.93Å; I147-R173 HydrophobicContact CD1-CG 4.4Å
148M95.8Very high88.8Confident72 Ų7268 Ų6836%0.35532%0.318SS..SBendtrans-78.4-31.5179.1-57.3-171.2-56.200111.9F13 F15 H146 V174 M175 P176F13-M148 HydrophobicContact CE1-CB 4.48Å; F13-M148 HydrophobicContact CE1-CE 4.13Å; F13-M148 HydrophobicContact CE2-CB 4.25Å; F13-M148 HydrophobicContact CZ-CB 3.7Å; F13-M148 HydrophobicContact CZ-CE 3.98Å; F15-M148 HydrophobicContact CD2-CE 4.1Å; F15-M148 HydrophobicContact CE2-CE 4.45Å; H146-M148 PolarHBondContact O-N 3.15Å; H146-M148 VanDerWaalsContact O-N 3.15Å; M148-V174 HydrophobicContact CE-CG1 4.07Å; M148-V174 PolarHBondContact N-O 2.87Å; M148-M175 VanDerWaalsContact CE-C 3.43Å; M148-M175 WeakPolarHBondContact CE-O 3.31Å; M148-P176 HydrophobicContact CG-CG 4.27Å; M148-P176 HydrophobicContact SD-CB 4.28Å; M148-P176 HydrophobicContact SD-CG 3.96Å
149F96.8Very high89.2Confident18 Ų1868.1 Ų68.18%0.07932%0.316CS..EExtended strand (participates in β ladder)trans-147.2135.5178.7-176.9-104.5000110.4Q11 F13 V20 I147 E151 I172 R173 V174Q11-F149 HydrophobicContact CB-CE2 4.12Å; Q11-F149 HydrophobicContact CB-CZ 4.14Å; F13-F149 HydrophobicContact CB-CB 4.11Å; F13-F149 HydrophobicContact CB-CD1 3.88Å; F13-F149 HydrophobicContact CB-CD2 3.57Å; F13-F149 HydrophobicContact CB-CE1 4.12Å; F13-F149 HydrophobicContact CB-CE2 3.83Å; F13-F149 HydrophobicContact CB-CG 3.58Å; F13-F149 HydrophobicContact CB-CZ 4.07Å; F13-F149 HydrophobicContact CD1-CB 3.83Å; F13-F149 HydrophobicContact CD1-CG 4.22Å; F13-F149 HydrophobicContact CD2-CB 3.62Å; F13-F149 AromaticContact CD2-CD2 3.81Å; F13-F149 HydrophobicContact CD2-CD2 3.81Å; F13-F149 AromaticContact CD2-CG 3.9Å; F13-F149 HydrophobicContact CD2-CG 3.9Å; F13-F149 HydrophobicContact CE1-CB 4.16Å; F13-F149 HydrophobicContact CE2-CB 3.94Å; F13-F149 HydrophobicContact CG-CB 3.56Å; F13-F149 HydrophobicContact CG-CD1 4.24Å; F13-F149 AromaticContact CG-CD2 3.84Å; F13-F149 HydrophobicContact CG-CD2 3.84Å; F13-F149 AromaticContact CG-CG 3.63Å; F13-F149 HydrophobicContact CG-CG 3.63Å; F13-F149 HydrophobicContact CZ-CB 4.21Å; V20-F149 HydrophobicContact CB-CE1 4.34Å; V20-F149 HydrophobicContact CG1-CD1 4.26Å; V20-F149 HydrophobicContact CG1-CE1 3.69Å; I147-F149 WeakPolarHBondContact CG2-O 3.41Å; F149-E151 HydrophobicContact CE1-CB 3.96Å; F149-E151 HydrophobicContact CE1-CG 3.78Å; F149-E151 HydrophobicContact CE2-CG 3.89Å; F149-E151 HydrophobicContact CZ-CB 4.02Å; F149-E151 HydrophobicContact CZ-CG 3.32Å; F149-I172 HydrophobicContact CD1-CG2 4.4Å; F149-I172 HydrophobicContact CE1-CG2 4.17Å; F149-R173 WeakPolarHBondContact O-CA 3.34Å; F149-V174 HydrophobicContact CB-CB 3.99Å; F149-V174 HydrophobicContact CB-CG2 4.06Å; F149-V174 HydrophobicContact CD1-CG2 3.97Å; F149-V174 PolarHBondContact N-O 2.78Å; F149-V174 PolarHBondContact O-N 3.06Å
150F97Very high89.5Confident100 Ų10062.4 Ų62.444%0.43929%0.29SS..EExtended strand (participates in β ladder)trans-139129.7173.6172.8-101.5000109.6I147 E152 K171 I172 R173I147-F150 HydrophobicContact CG2-CB 3.93Å; F150-E152 HydrophobicContact CZ-CB 4.27Å; F150-K171 HydrophobicContact CE2-CB 4.34Å; F150-K171 HydrophobicContact CE2-CD 4.46Å; F150-I172 WeakPolarHBondContact CA-O 3.39Å; F150-I172 VanDerWaalsContact CD2-O 3.26Å; F150-I172 WeakPolarHBondContact CD2-O 3.4Å; F150-R173 HydrophobicContact CD2-CG 3.62Å; F150-R173 HydrophobicContact CE2-CG 4.2Å
151E97.8Very high89.8Confident20 Ų2061.7 Ų61.79%0.09329%0.288CS..EExtended strand (participates in β ladder)trans-142.9149.5172.2-83.9-57.8141.400111.1Q11 A22 K24 F149 K171 I172Q11-E151 PolarHBondContact NE2-OE1 3.34Å; Q11-E151 PolarHBondContact OE1-OE1 2.95Å; Q11-E151 VanDerWaalsContact OE1-OE1 3.08Å; A22-E151 HydrophobicContact CB-CB 3.83Å; A22-E151 HydrophobicContact CB-CG 3.82Å; K24-E151 WeakPolarHBondContact CE-OE2 3.44Å; K24-E151 IonicContact NZ-OE2 2.69Å; K24-E151 PolarHBondContact NZ-OE2 3.04Å; F149-E151 HydrophobicContact CE1-CB 3.96Å; F149-E151 HydrophobicContact CE1-CG 3.78Å; F149-E151 HydrophobicContact CE2-CG 3.89Å; F149-E151 HydrophobicContact CZ-CB 4.02Å; F149-E151 HydrophobicContact CZ-CG 3.32Å; E151-K171 CarbonylContact O-C 3.54Å; E151-K171 WeakPolarHBondContact O-CA 3.3Å; E151-K171 WeakPolarHBondContact O-CB 3.45Å; E151-I172 HydrophobicContact CB-CG2 4.33Å; E151-I172 PolarHBondContact N-O 2.87Å; E151-I172 PolarHBondContact O-N 3.47Å
152E97.1Very high90.2Very high73 Ų7367 Ų6734%0.34132%0.316SS..EExtended strand (participates in β ladder)trans-134.2125.2175.6177.6165.6-138.900109.5K24 F150 V170 K171K24-E152 WeakPolarHBondContact CE-O 3.34Å; K24-E152 PolarHBondContact NZ-O 3.06Å; F150-E152 HydrophobicContact CZ-CB 4.27Å; E152-V170 CarbonylContact C-O 3.57Å; E152-V170 WeakPolarHBondContact CA-O 3.42Å; E152-K171 HydrophobicContact CB-CB 3.91Å; E152-K171 HydrophobicContact CG-CB 4.09Å
153V97.5Very high90.4Very high0 Ų065.2 Ų65.20%031%0.31CS..EExtended strand (participates in β ladder)trans-122.4119.2-175-178.70000108.4A22 K24 N53 L55 L155 S169 V170A22-V153 HydrophobicContact CB-CG2 4.06Å; K24-V153 HydrophobicContact CG-CG2 4.19Å; N53-V153 HydrophobicContact CB-CG1 3.68Å; L55-V153 HydrophobicContact CB-CG2 4.31Å; L55-V153 HydrophobicContact CD1-CG2 4.17Å; V153-L155 HydrophobicContact CG1-CD2 4.12Å; V153-S169 CarbonylContact O-C 3.51Å; V153-S169 WeakPolarHBondContact O-CA 3.39Å; V153-V170 HydrophobicContact CB-CG1 3.94Å; V153-V170 PolarHBondContact N-O 2.74Å; V153-V170 PolarHBondContact O-N 3.2Å
154L97.6Very high91.1Very high39 Ų3962.8 Ų62.820%0.20429%0.29CS..EExtended strand (participates in β ladder)trans-78.6131.9171.3-176.861.8000108.9Y50 N53 E157 M167Y50-L154 HydrophobicContact CD2-CD2 4.22Å; Y50-L154 HydrophobicContact CD2-CG 4.06Å; Y50-L154 HydrophobicContact CE2-CB 4.39Å; Y50-L154 HydrophobicContact CE2-CD2 3.42Å; Y50-L154 VanDerWaalsContact CE2-CD2 3.42Å; Y50-L154 HydrophobicContact CE2-CG 3.77Å; N53-L154 PolarHBondContact ND2-O 3.32Å; L154-E157 HydrophobicContact CD2-CB 4.49Å; L154-M167 HydrophobicContact CD1-CG 3.66Å; L154-M167 HydrophobicContact CD1-SD 3.99Å
155L97.8Very high92Very high0 Ų050.8 Ų50.80%025%0.245CC..EExtended strand (participates in β ladder)trans-100.7-49.1-180-56.9-179.5000111Y50 N53 F67 A69 V153 I168 V170Y50-L155 WeakPolarHBondContact CB-O 3.25Å; Y50-L155 PolarHBondContact N-O 3.33Å; N53-L155 HydrophobicContact CB-CD2 4.27Å; F67-L155 HydrophobicContact CB-CD1 4.36Å; A69-L155 HydrophobicContact CB-CB 3.97Å; A69-L155 WeakPolarHBondContact CB-O 3.4Å; V153-L155 HydrophobicContact CG1-CD2 4.12Å; L155-I168 HydrophobicContact CB-CG2 3.91Å; L155-I168 HydrophobicContact CD1-CD1 4.34Å; L155-I168 HydrophobicContact CD1-CG1 4.23Å; L155-I168 PolarHBondContact N-O 3.22Å; L155-V170 HydrophobicContact CD2-CG1 4.37Å; L155-V170 HydrophobicContact CG-CG1 4.48Å
156F97.6Very high92.5Very high0 Ų047.3 Ų47.30%023%0.229CC..EExtended strand (participates in β ladder)trans-152.3158.4167.567.8-110.5000112.2P46 M48 L49 A72 L73 F112 M167 I168 F185P46-F156 HydrophobicContact CB-CB 3.91Å; P46-F156 HydrophobicContact CB-CD2 3.91Å; P46-F156 HydrophobicContact CB-CG 4.11Å; P46-F156 HydrophobicContact CG-CB 4.03Å; P46-F156 HydrophobicContact CG-CD1 4.33Å; P46-F156 HydrophobicContact CG-CD2 3.57Å; P46-F156 HydrophobicContact CG-CE2 4.05Å; P46-F156 HydrophobicContact CG-CG 3.75Å; M48-F156 CarbonylContact O-C 3.57Å; M48-F156 WeakPolarHBondContact O-CA 3.38Å; L49-F156 HydrophobicContact CD1-CB 3.93Å; A72-F156 HydrophobicContact CB-CE1 4.36Å; L73-F156 HydrophobicContact CD2-CD1 4.1Å; L73-F156 HydrophobicContact CD2-CE1 3.8Å; L73-F156 HydrophobicContact CD2-CZ 4.31Å; L73-F156 HydrophobicContact CG-CD1 4.25Å; L73-F156 HydrophobicContact CG-CE1 4.15Å; F112-F156 HydrophobicContact CB-CE2 4Å; F112-F156 HydrophobicContact CB-CZ 4.03Å; F156-M167 WeakPolarHBondContact O-CA 3.29Å; F156-I168 HydrophobicContact CB-CG2 4.43Å; F156-I168 HydrophobicContact CD1-CG2 3.18Å; F156-I168 HydrophobicContact CD2-CG2 3.77Å; F156-I168 HydrophobicContact CE1-CB 4.34Å; F156-I168 HydrophobicContact CE1-CG2 3.15Å; F156-I168 HydrophobicContact CE2-CG2 3.73Å; F156-I168 HydrophobicContact CG-CG2 3.5Å; F156-I168 VanDerWaalsContact CG-CG2 3.5Å; F156-I168 HydrophobicContact CZ-CB 4.3Å; F156-I168 HydrophobicContact CZ-CG2 3.43Å; F156-I168 VanDerWaalsContact CZ-CG2 3.43Å; F156-I168 PolarHBondContact N-O 3.28Å; F156-I168 PolarHBondContact O-N 3.1Å; F156-F185 HydrophobicContact CE2-CE2 4.22Å; F156-F185 HydrophobicContact CZ-CD2 4.26Å; F156-F185 HydrophobicContact CZ-CE2 4.17Å
157E96.1Very high92.8Very high35 Ų3541.1 Ų41.116%0.16420%0.201CC..EExtended strand (participates in β ladder)trans-143.2146171.3-173.2171179.800110M48 L154 V165 S166 M167M48-E157 WeakPolarHBondContact CA-O 3.26Å; M48-E157 HydrophobicContact CB-CB 4.2Å; M48-E157 WeakPolarHBondContact CB-O 3.34Å; M48-E157 HydrophobicContact CE-CB 3.77Å; M48-E157 HydrophobicContact CE-CG 3.57Å; M48-E157 PolarHBondContact N-O 2.82Å; M48-E157 PolarHBondContact O-N 3.42Å; M48-E157 HydrophobicContact SD-CB 4.43Å; L154-E157 HydrophobicContact CD2-CB 4.49Å; E157-V165 HydrophobicContact CG-CG2 4.26Å; E157-S166 CarbonylContact C-O 3.53Å; E157-S166 VanDerWaalsContact CA-O 3.29Å; E157-S166 WeakPolarHBondContact CA-O 3.48Å; E157-M167 HydrophobicContact CB-CB 4.46Å; E157-M167 HydrophobicContact CB-CG 4.26Å; E157-M167 HydrophobicContact CG-CB 4.18Å; E157-M167 HydrophobicContact CG-CG 4.23Å
158D93.5Very high93Very high6 Ų637.4 Ų37.43%0.03218%0.182CC..EExtended strand (participates in β ladder)trans-145.4137177.3-163.4-88.7000109.5P46 E47 F112 L160 V165 S166P46-D158 WeakPolarHBondContact CA-OD2 3.48Å; P46-D158 HydrophobicContact CB-CB 4.11Å; E47-D158 PolarHBondContact N-OD2 2.83Å; F112-D158 HydrophobicContact CD2-CB 4.23Å; F112-D158 HydrophobicContact CE2-CB 4.09Å; D158-L160 VanDerWaalsContact C-N 3.3Å; D158-L160 VanDerWaalsContact OD1-CA 3.28Å; D158-L160 WeakPolarHBondContact OD1-CA 3.15Å; D158-L160 PolarHBondContact OD1-N 2.91Å; D158-V165 CarbonylContact O-C 3.51Å; D158-V165 VanDerWaalsContact O-CA 3.31Å; D158-V165 WeakPolarHBondContact O-CA 3.36Å; D158-S166 PolarHBondContact N-O 2.85Å; D158-S166 PolarHBondContact O-N 2.66Å
159E89.2Confident93.1Very high91 Ų9134.4 Ų34.443%0.42517%0.168SC..  trans-90.36-179.7-62.4-168.2155.900113M48 H161 D162 H163 G164M48-E159 HydrophobicContact CE-CG 4.39Å; E159-H161 PolarHBondContact O-N 3.15Å; E159-H161 VanDerWaalsContact O-N 3.17Å; E159-D162 PolarHBondContact O-N 3Å; E159-H163 PolarHBondContact O-N 2.97Å; E159-G164 CarbonylContact C-O 3.56Å; E159-G164 PolarHBondContact O-N 3.31Å; E159-G164 VanDerWaalsContact O-O 3.06Å
160L86.3Confident93.2Very high0 Ų033.6 Ų33.60%016%0.164CC..G310 helixtrans54.335.8176.2-55.9-178.4000112.7W110 D158 H163 L187 V189W110-L160 HydrophobicContact CE3-CB 4.46Å; W110-L160 HydrophobicContact CE3-CD2 3.91Å; W110-L160 HydrophobicContact CZ3-CB 3.93Å; W110-L160 HydrophobicContact CZ3-CD1 3.89Å; W110-L160 HydrophobicContact CZ3-CD2 3.96Å; W110-L160 HydrophobicContact CZ3-CG 4.13Å; D158-L160 VanDerWaalsContact C-N 3.3Å; D158-L160 VanDerWaalsContact OD1-CA 3.28Å; D158-L160 WeakPolarHBondContact OD1-CA 3.15Å; D158-L160 PolarHBondContact OD1-N 2.91Å; L160-H163 WeakPolarHBondContact O-CB 3.47Å; L160-H163 PolarHBondContact O-N 2.98Å; L160-L187 HydrophobicContact CD1-CD1 3.73Å; L160-V189 HydrophobicContact CD1-CG2 4.28Å
161H83.8Confident93.2Very high79 Ų7931.7 Ų31.737%0.36616%0.156SC..G310 helixtrans55.748.8-173-53.879.2000112.6R95 E159 H163R95-H161 PolarHBondContact NH2-CD2 2.88Å; R95-H161 VanDerWaalsContact NH2-CD2 3.29Å; R95-H161 PolarHBondContact NH2-CE1 2.79Å; R95-H161 PolarHBondContact NH2-NE2 3.23Å; E159-H161 PolarHBondContact O-N 3.15Å; E159-H161 VanDerWaalsContact O-N 3.17Å; H161-H163 PolarHBondContact O-CD2 2.94Å; H161-H163 PolarHBondContact O-N 3.4Å
162D83Confident93.2Very high134 Ų13430.8 Ų30.872%0.71715%0.152SC*.G310 helixtrans65.88.5-177.5-57.6-54000115.3E159E159-D162 PolarHBondContact O-N 3Å
163H81.4Confident93.2Very high94 Ų9430.9 Ų30.944%0.43515%0.149SC..THydrogen-bonded Turntrans-97.510.7178.2-65.5-70.6000113.8E159 L160 H161 D190E159-H163 PolarHBondContact O-N 2.97Å; L160-H163 WeakPolarHBondContact O-CB 3.47Å; L160-H163 PolarHBondContact O-N 2.98Å; H161-H163 PolarHBondContact O-CD2 2.94Å; H161-H163 PolarHBondContact O-N 3.4Å; H163-D190 PolarHBondContact O-N 3.19Å
164G87.1Confident93.1Very high8 Ų830.9 Ų30.98%0.08215%0.149CC..EExtended strand (participates in β ladder)trans158.1-143.4175.100000113.7E159 R188E159-G164 CarbonylContact C-O 3.56Å; E159-G164 PolarHBondContact O-N 3.31Å; E159-G164 VanDerWaalsContact O-O 3.06Å; G164-R188 CarbonylContact C-O 3.59Å; G164-R188 WeakPolarHBondContact CA-O 3.28Å
165V90.3Very high93Very high4 Ų429.6 Ų29.62%0.02414%0.142CC..EExtended strand (participates in β ladder)trans-155136.8172.559.50000110.4E157 D158 M167 F186 L187 R188E157-V165 HydrophobicContact CG-CG2 4.26Å; D158-V165 CarbonylContact O-C 3.51Å; D158-V165 VanDerWaalsContact O-CA 3.31Å; D158-V165 WeakPolarHBondContact O-CA 3.36Å; V165-M167 HydrophobicContact CG2-CB 4.33Å; V165-F186 HydrophobicContact CG1-CD1 4.02Å; V165-F186 HydrophobicContact CG1-CE1 3.68Å; V165-L187 CarbonylContact O-C 3.57Å; V165-L187 WeakPolarHBondContact O-CA 3.39Å; V165-R188 HydrophobicContact CG1-CB 4.07Å; V165-R188 PolarHBondContact N-O 3.03Å; V165-R188 PolarHBondContact O-N 3.35Å
166S93.8Very high92.8Very high0 Ų033 Ų330%016%0.164CC..EExtended strand (participates in β ladder)trans-119.6126.9166.5-177.90000108.9T111 E157 D158 F185 F186T111-S166 VanDerWaalsContact O-CB 3.28Å; T111-S166 WeakPolarHBondContact O-CB 3.4Å; T111-S166 PolarHBondContact O-OG 2.69Å; E157-S166 CarbonylContact C-O 3.53Å; E157-S166 VanDerWaalsContact CA-O 3.29Å; E157-S166 WeakPolarHBondContact CA-O 3.48Å; D158-S166 PolarHBondContact N-O 2.85Å; D158-S166 PolarHBondContact O-N 2.66Å; S166-F185 WeakPolarHBondContact OG-CE2 3.32Å; S166-F185 WeakPolarHBondContact OG-CZ 3.4Å; S166-F186 WeakPolarHBondContact CA-O 3.47Å
167M96.4Very high92.6Very high13 Ų1335 Ų356%0.06418%0.178CC..EExtended strand (participates in β ladder)trans-151.3137.6-172.9179.7-178.547.200111.2L154 F156 E157 V165 F185 F186 F237L154-M167 HydrophobicContact CD1-CG 3.66Å; L154-M167 HydrophobicContact CD1-SD 3.99Å; F156-M167 WeakPolarHBondContact O-CA 3.29Å; E157-M167 HydrophobicContact CB-CB 4.46Å; E157-M167 HydrophobicContact CB-CG 4.26Å; E157-M167 HydrophobicContact CG-CB 4.18Å; E157-M167 HydrophobicContact CG-CG 4.23Å; V165-M167 HydrophobicContact CG2-CB 4.33Å; M167-F185 CarbonylContact O-C 3.52Å; M167-F185 VanDerWaalsContact O-CA 3.32Å; M167-F185 WeakPolarHBondContact O-CA 3.31Å; M167-F186 HydrophobicContact CE-CB 4.47Å; M167-F186 PolarHBondContact N-O 2.85Å; M167-F186 PolarHBondContact O-N 3.15Å; M167-F237 HydrophobicContact CE-CE1 3.76Å; M167-F237 HydrophobicContact CE-CE2 4.23Å; M167-F237 HydrophobicContact CE-CZ 3.27Å; M167-F237 HydrophobicContact SD-CZ 4.27Å
168I97.9Very high92.5Very high0 Ų033.4 Ų33.40%017%0.171CC..EExtended strand (participates in β ladder)trans-126.9128.5169.7-177.4170.1000111.3A72 T114 Y116 L155 F156 Q183 R184 F185A72-I168 HydrophobicContact CB-CD1 4.07Å; T114-I168 HydrophobicContact CG2-CD1 4.03Å; Y116-I168 HydrophobicContact CD1-CD1 4.48Å; L155-I168 HydrophobicContact CB-CG2 3.91Å; L155-I168 HydrophobicContact CD1-CD1 4.34Å; L155-I168 HydrophobicContact CD1-CG1 4.23Å; L155-I168 PolarHBondContact N-O 3.22Å; F156-I168 HydrophobicContact CB-CG2 4.43Å; F156-I168 HydrophobicContact CD1-CG2 3.18Å; F156-I168 HydrophobicContact CD2-CG2 3.77Å; F156-I168 HydrophobicContact CE1-CB 4.34Å; F156-I168 HydrophobicContact CE1-CG2 3.15Å; F156-I168 HydrophobicContact CE2-CG2 3.73Å; F156-I168 HydrophobicContact CG-CG2 3.5Å; F156-I168 VanDerWaalsContact CG-CG2 3.5Å; F156-I168 HydrophobicContact CZ-CB 4.3Å; F156-I168 HydrophobicContact CZ-CG2 3.43Å; F156-I168 VanDerWaalsContact CZ-CG2 3.43Å; F156-I168 PolarHBondContact N-O 3.28Å; F156-I168 PolarHBondContact O-N 3.1Å; I168-Q183 HydrophobicContact CD1-CG 4.02Å; I168-Q183 HydrophobicContact CG1-CG 4.13Å; I168-R184 VanDerWaalsContact CA-O 3.3Å; I168-R184 WeakPolarHBondContact CA-O 3.3Å; I168-F185 HydrophobicContact CB-CB 4.34Å; I168-F185 HydrophobicContact CB-CD2 4.2Å; I168-F185 HydrophobicContact CD1-CB 4.41Å; I168-F185 HydrophobicContact CG1-CB 4.39Å
169S97.7Very high92.6Very high9 Ų933.1 Ų33.16%0.06317%0.169CC..EExtended strand (participates in β ladder)trans-134.6157.9175.856.40000110.4V153 Q183 R184V153-S169 CarbonylContact O-C 3.51Å; V153-S169 WeakPolarHBondContact O-CA 3.39Å; S169-Q183 CarbonylContact O-C 3.58Å; S169-Q183 WeakPolarHBondContact O-CA 3.28Å; S169-R184 PolarHBondContact N-O 2.81Å; S169-R184 PolarHBondContact O-N 2.88Å
170V98.3Very high93Very high0 Ų029.8 Ų29.80%015%0.153CC..EExtended strand (participates in β ladder)trans-131.1132176.164.10000109.9L55 F67 E152 V153 L155 L181 L182 Q183L55-V170 HydrophobicContact CB-CG1 3.51Å; L55-V170 HydrophobicContact CB-CG2 4.4Å; L55-V170 HydrophobicContact CD2-CB 4.27Å; L55-V170 HydrophobicContact CD2-CG1 3.92Å; L55-V170 HydrophobicContact CD2-CG2 3.5Å; L55-V170 HydrophobicContact CG-CG1 4.36Å; F67-V170 HydrophobicContact CB-CB 4.27Å; F67-V170 HydrophobicContact CB-CG1 4.03Å; F67-V170 HydrophobicContact CB-CG2 4.18Å; F67-V170 HydrophobicContact CD1-CG2 4.28Å; F67-V170 HydrophobicContact CD2-CG2 4.13Å; F67-V170 HydrophobicContact CG-CB 4.49Å; F67-V170 HydrophobicContact CG-CG2 3.93Å; E152-V170 CarbonylContact C-O 3.57Å; E152-V170 WeakPolarHBondContact CA-O 3.42Å; V153-V170 HydrophobicContact CB-CG1 3.94Å; V153-V170 PolarHBondContact N-O 2.74Å; V153-V170 PolarHBondContact O-N 3.2Å; L155-V170 HydrophobicContact CD2-CG1 4.37Å; L155-V170 HydrophobicContact CG-CG1 4.48Å; V170-L181 HydrophobicContact CG2-CD1 3.95Å; V170-L181 HydrophobicContact CG2-CD2 3.73Å; V170-L181 HydrophobicContact CG2-CG 3.79Å; V170-L182 WeakPolarHBondContact CA-O 3.44Å; V170-Q183 HydrophobicContact CB-CB 4.18Å; V170-Q183 HydrophobicContact CG2-CB 3.95Å
171K97.4Very high93.5Very high61 Ų6129.8 Ų29.827%0.26515%0.153SC..EExtended strand (participates in β ladder)trans-131.4149.3176.462.5-173.8168.7-1630112.2F150 E151 E152 L181 L182F150-K171 HydrophobicContact CE2-CB 4.34Å; F150-K171 HydrophobicContact CE2-CD 4.46Å; E151-K171 CarbonylContact O-C 3.54Å; E151-K171 WeakPolarHBondContact O-CA 3.3Å; E151-K171 WeakPolarHBondContact O-CB 3.45Å; E152-K171 HydrophobicContact CB-CB 3.91Å; E152-K171 HydrophobicContact CG-CB 4.09Å; K171-L181 CarbonylContact O-C 3.59Å; K171-L181 VanDerWaalsContact O-CA 3.25Å; K171-L181 WeakPolarHBondContact O-CA 3.39Å; K171-L182 HydrophobicContact CG-CB 4.23Å; K171-L182 PolarHBondContact N-O 2.7Å; K171-L182 PolarHBondContact O-N 3.24Å
172I97.8Very high94.1Very high1 Ų126.8 Ų26.81%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-131.4142.1179-174.2164.3000110.7V20 L55 I57 F149 F150 E151 V174 F179 F180 L181V20-I172 HydrophobicContact CG1-CD1 3.92Å; V20-I172 HydrophobicContact CG1-CG2 4.12Å; V20-I172 HydrophobicContact CG2-CD1 3.96Å; L55-I172 HydrophobicContact CD1-CG2 3.88Å; L55-I172 HydrophobicContact CD2-CB 4Å; L55-I172 HydrophobicContact CD2-CG2 3.91Å; L55-I172 HydrophobicContact CG-CG2 4.44Å; I57-I172 HydrophobicContact CD1-CD1 3.82Å; I57-I172 HydrophobicContact CG1-CD1 4.06Å; F149-I172 HydrophobicContact CD1-CG2 4.4Å; F149-I172 HydrophobicContact CE1-CG2 4.17Å; F150-I172 WeakPolarHBondContact CA-O 3.39Å; F150-I172 VanDerWaalsContact CD2-O 3.26Å; F150-I172 WeakPolarHBondContact CD2-O 3.4Å; E151-I172 HydrophobicContact CB-CG2 4.33Å; E151-I172 PolarHBondContact N-O 2.87Å; E151-I172 PolarHBondContact O-N 3.47Å; I172-V174 HydrophobicContact CD1-CG2 4.19Å; I172-V174 HydrophobicContact CG1-CG2 4.15Å; I172-F179 HydrophobicContact CD1-CB 4.43Å; I172-F179 HydrophobicContact CD1-CD2 4.36Å; I172-F180 CarbonylContact C-O 3.5Å; I172-F180 WeakPolarHBondContact CA-O 3.42Å; I172-L181 HydrophobicContact CB-CB 4.35Å; I172-L181 HydrophobicContact CD1-CB 4.49Å; I172-L181 HydrophobicContact CG1-CB 4.32Å
173R96.1Very high94.9Very high75 Ų7520.4 Ų20.428%0.28311%0.106SC..EExtended strand (participates in β ladder)trans-119129.9165.2-68175.9-62.4170.46.1107.8I147 F149 F150 M175 F179 F180I147-R173 HydrophobicContact CD1-CG 4.4Å; F149-R173 WeakPolarHBondContact O-CA 3.34Å; F150-R173 HydrophobicContact CD2-CG 3.62Å; F150-R173 HydrophobicContact CE2-CG 4.2Å; R173-M175 HydrophobicContact CB-CE 3.48Å; R173-M175 VanDerWaalsContact CB-CE 3.48Å; R173-M175 HydrophobicContact CB-SD 3.95Å; R173-M175 HydrophobicContact CG-CE 4.43Å; R173-F179 CarbonylContact O-C 3.57Å; R173-F179 VanDerWaalsContact O-CA 3.3Å; R173-F179 WeakPolarHBondContact O-CA 3.49Å; R173-F179 WeakPolarHBondContact O-CB 3.45Å; R173-F180 PolarHBondContact N-O 3.34Å; R173-F180 PolarHBondContact O-N 2.73Å
174V96.6Very high95.6Very high0 Ų016.7 Ų16.70%09%0.088CC..EExtended strand (participates in β ladder)trans-111.3126.4172.4-1720000108.5F13 F15 V20 M148 F149 I172 F179F13-V174 HydrophobicContact CD1-CB 4.32Å; F13-V174 HydrophobicContact CD1-CG1 4.1Å; F13-V174 HydrophobicContact CD1-CG2 4.29Å; F13-V174 HydrophobicContact CE1-CB 4.16Å; F13-V174 HydrophobicContact CE1-CG1 3.67Å; F15-V174 HydrophobicContact CB-CG1 3.92Å; F15-V174 HydrophobicContact CD2-CG1 3.68Å; F15-V174 HydrophobicContact CE2-CG1 4.44Å; F15-V174 HydrophobicContact CG-CG1 3.86Å; V20-V174 HydrophobicContact CG2-CG2 4.17Å; M148-V174 HydrophobicContact CE-CG1 4.07Å; M148-V174 PolarHBondContact N-O 2.87Å; F149-V174 HydrophobicContact CB-CB 3.99Å; F149-V174 HydrophobicContact CB-CG2 4.06Å; F149-V174 HydrophobicContact CD1-CG2 3.97Å; F149-V174 PolarHBondContact N-O 2.78Å; F149-V174 PolarHBondContact O-N 3.06Å; I172-V174 HydrophobicContact CD1-CG2 4.19Å; I172-V174 HydrophobicContact CG1-CG2 4.15Å; V174-F179 HydrophobicContact CB-CB 4.34Å; V174-F179 HydrophobicContact CG1-CB 4.28Å; V174-F179 HydrophobicContact CG2-CB 4.04Å
175M94.8Very high96.1Very high11 Ų1116.3 Ų16.35%0.0548%0.084CC..  trans-110.8164.8179.5-61.37717200108.9F15 E145 M148 R173 S177 S178F15-M175 WeakPolarHBondContact CE2-O 3.33Å; E145-M175 HydrophobicContact CB-CB 4.06Å; E145-M175 HydrophobicContact CB-CG 4.01Å; M148-M175 VanDerWaalsContact CE-C 3.43Å; M148-M175 WeakPolarHBondContact CE-O 3.31Å; R173-M175 HydrophobicContact CB-CE 3.48Å; R173-M175 VanDerWaalsContact CB-CE 3.48Å; R173-M175 HydrophobicContact CB-SD 3.95Å; R173-M175 HydrophobicContact CG-CE 4.43Å; M175-S177 PolarHBondContact O-N 2.89Å; M175-S177 VanDerWaalsContact O-N 3.16Å; M175-S178 CarbonylContact C-O 3.58Å; M175-S178 WeakPolarHBondContact CA-O 3.5Å; M175-S178 WeakPolarHBondContact CB-O 3.22Å; M175-S178 PolarHBondContact N-O 2.78Å; M175-S178 PolarHBondContact O-N 2.68Å
176P94.1Very high96.3Very high72 Ų7216.1 Ų16.147%0.4688%0.083SC..SBendtrans-56.9-29.7179.4-27.636.5000114.5F15 H146 M148F15-P176 WeakPolarHBondContact CE2-O 3.23Å; H146-P176 WeakPolarHBondContact O-CD 3.45Å; M148-P176 HydrophobicContact CG-CG 4.27Å; M148-P176 HydrophobicContact SD-CB 4.28Å; M148-P176 HydrophobicContact SD-CG 3.96Å
177S92.9Very high96.2Very high41 Ų4116.2 Ų16.229%0.2878%0.083SC..SBendtrans-110.8-9-175.766.90000114.6E145 M175 D205E145-S177 PolarHBondContact OE1-OG 2.77Å; E145-S177 VanDerWaalsContact OE1-OG 3.13Å; E145-S177 PolarHBondContact OE2-OG 2.91Å; M175-S177 PolarHBondContact O-N 2.89Å; M175-S177 VanDerWaalsContact O-N 3.16Å; S177-D205 WeakPolarHBondContact O-CB 3.44Å; S177-D205 PolarHBondContact O-N 3.03Å
178S94.5Very high95.9Very high3 Ų317.7 Ų17.72%0.0219%0.088CC..EExtended strand (participates in β ladder)trans-163170-168.958.80000112.5M175 Y203M175-S178 CarbonylContact C-O 3.58Å; M175-S178 WeakPolarHBondContact CA-O 3.5Å; M175-S178 WeakPolarHBondContact CB-O 3.22Å; M175-S178 PolarHBondContact N-O 2.78Å; M175-S178 PolarHBondContact O-N 2.68Å; S178-Y203 CarbonylContact C-O 3.59Å; S178-Y203 WeakPolarHBondContact CA-O 3.32Å; S178-Y203 WeakPolarHBondContact CB-O 3.32Å
179F95.7Very high95.3Very high0 Ų018.3 Ų18.30%09%0.092CC..EExtended strand (participates in β ladder)trans-134.4152.116160.6-105.5000111.3F15 W18 I57 I172 R173 V174 Y202 Y203 M210F15-F179 AromaticContact CD1-CD1 3.72Å; F15-F179 HydrophobicContact CD1-CD1 3.72Å; F15-F179 HydrophobicContact CD1-CE1 4.14Å; F15-F179 HydrophobicContact CE1-CD1 4.03Å; F15-F179 HydrophobicContact CE1-CE1 4.49Å; W18-F179 HydrophobicContact CB-CE1 4.44Å; W18-F179 HydrophobicContact CD2-CE1 4.42Å; W18-F179 HydrophobicContact CG-CE1 4.06Å; I57-F179 HydrophobicContact CD1-CD2 4.23Å; I57-F179 HydrophobicContact CD1-CE2 3.79Å; I57-F179 HydrophobicContact CD1-CZ 4.36Å; I57-F179 HydrophobicContact CG2-CE1 4.4Å; I57-F179 HydrophobicContact CG2-CE2 4.4Å; I57-F179 HydrophobicContact CG2-CZ 3.9Å; I172-F179 HydrophobicContact CD1-CB 4.43Å; I172-F179 HydrophobicContact CD1-CD2 4.36Å; R173-F179 CarbonylContact O-C 3.57Å; R173-F179 VanDerWaalsContact O-CA 3.3Å; R173-F179 WeakPolarHBondContact O-CA 3.49Å; R173-F179 WeakPolarHBondContact O-CB 3.45Å; V174-F179 HydrophobicContact CB-CB 4.34Å; V174-F179 HydrophobicContact CG1-CB 4.28Å; V174-F179 HydrophobicContact CG2-CB 4.04Å; F179-Y202 WeakPolarHBondContact O-CA 3.35Å; F179-Y202 WeakPolarHBondContact O-CD2 3.49Å; F179-Y203 AromaticContact CD1-CD1 3.83Å; F179-Y203 HydrophobicContact CD1-CD1 3.83Å; F179-Y203 HydrophobicContact CD1-CG 4.34Å; F179-Y203 VanDerWaalsContact CE1-CB 3.47Å; F179-Y203 AromaticContact CE1-CD1 3.31Å; F179-Y203 HydrophobicContact CE1-CD1 3.31Å; F179-Y203 HydrophobicContact CE1-CE1 4.3Å; F179-Y203 AromaticContact CE1-CG 3.64Å; F179-Y203 HydrophobicContact CE1-CG 3.64Å; F179-Y203 VanDerWaalsContact CE2-CB 3.44Å; F179-Y203 HydrophobicContact CE2-CG 4.43Å; F179-Y203 AromaticContact CZ-CD1 3.9Å; F179-Y203 HydrophobicContact CZ-CD1 3.9Å; F179-Y203 AromaticContact CZ-CG 3.7Å; F179-Y203 HydrophobicContact CZ-CG 3.7Å; F179-Y203 PolarHBondContact N-O 2.9Å; F179-Y203 PolarHBondContact O-N 2.84Å; F179-Y203 VanDerWaalsContact O-N 3.1Å; F179-M210 HydrophobicContact CE2-CE 4.43Å; F179-M210 HydrophobicContact CE2-SD 4.14Å; F179-M210 HydrophobicContact CZ-CE 3.71Å; F179-M210 HydrophobicContact CZ-SD 3.97Å
180F96.4Very high94.4Very high20 Ų2021.1 Ų21.19%0.08811%0.106CC..EExtended strand (participates in β ladder)trans-131.7123.8177179.1-98.2000110.7I136 L141 I172 R173 L182 R200 V201 Y202I136-F180 HydrophobicContact CD1-CE2 4.41Å; I136-F180 HydrophobicContact CG2-CD2 4.48Å; I136-F180 HydrophobicContact CG2-CE2 4.24Å; L141-F180 HydrophobicContact CD1-CD1 4.43Å; L141-F180 HydrophobicContact CD1-CD2 3.32Å; L141-F180 HydrophobicContact CD1-CE2 3.45Å; L141-F180 VanDerWaalsContact CD1-CE2 3.45Å; L141-F180 HydrophobicContact CD1-CG 3.83Å; L141-F180 HydrophobicContact CD1-CZ 4.06Å; L141-F180 HydrophobicContact CD2-CB 3.82Å; L141-F180 HydrophobicContact CD2-CD2 4.08Å; L141-F180 HydrophobicContact CD2-CG 4.05Å; L141-F180 HydrophobicContact CG-CD2 4.36Å; I172-F180 CarbonylContact C-O 3.5Å; I172-F180 WeakPolarHBondContact CA-O 3.42Å; R173-F180 PolarHBondContact N-O 3.34Å; R173-F180 PolarHBondContact O-N 2.73Å; F180-L182 HydrophobicContact CE1-CB 4.1Å; F180-R200 HydrophobicContact CE2-CB 4.04Å; F180-R200 HydrophobicContact CE2-CG 4.22Å; F180-R200 HydrophobicContact CZ-CB 4.21Å; F180-R200 HydrophobicContact CZ-CG 3.91Å; F180-V201 WeakPolarHBondContact CA-O 3.14Å; F180-Y202 HydrophobicContact CB-CD2 4.42Å; F180-Y202 HydrophobicContact CD2-CD2 4.35Å
181L97.8Very high93.3Very high0 Ų023.7 Ų23.70%013%0.133CC..EExtended strand (participates in β ladder)trans-114.4139.7176.6176.5159000110.3L55 I57 F67 V170 K171 I172 Q183 R200 V201L55-L181 HydrophobicContact CD2-CD1 3.54Å; L55-L181 HydrophobicContact CD2-CG 4.2Å; I57-L181 HydrophobicContact CD1-CD1 3.69Å; I57-L181 HydrophobicContact CG1-CD1 4.47Å; F67-L181 HydrophobicContact CD2-CD1 3.86Å; F67-L181 HydrophobicContact CD2-CD2 4.34Å; F67-L181 HydrophobicContact CE1-CD2 4.07Å; F67-L181 HydrophobicContact CE2-CD1 3.45Å; F67-L181 VanDerWaalsContact CE2-CD1 3.45Å; F67-L181 HydrophobicContact CE2-CD2 3.64Å; F67-L181 HydrophobicContact CE2-CG 4.24Å; F67-L181 HydrophobicContact CZ-CD1 4.18Å; F67-L181 HydrophobicContact CZ-CD2 3.47Å; F67-L181 VanDerWaalsContact CZ-CD2 3.47Å; V170-L181 HydrophobicContact CG2-CD1 3.95Å; V170-L181 HydrophobicContact CG2-CD2 3.73Å; V170-L181 HydrophobicContact CG2-CG 3.79Å; K171-L181 CarbonylContact O-C 3.59Å; K171-L181 VanDerWaalsContact O-CA 3.25Å; K171-L181 WeakPolarHBondContact O-CA 3.39Å; I172-L181 HydrophobicContact CB-CB 4.35Å; I172-L181 HydrophobicContact CD1-CB 4.49Å; I172-L181 HydrophobicContact CG1-CB 4.32Å; L181-Q183 HydrophobicContact CD2-CB 4.46Å; L181-R200 CarbonylContact O-C 3.6Å; L181-R200 WeakPolarHBondContact O-CA 2.98Å; L181-V201 HydrophobicContact CB-CB 4.24Å; L181-V201 HydrophobicContact CD2-CB 4.33Å; L181-V201 HydrophobicContact CD2-CG2 4.24Å; L181-V201 PolarHBondContact N-O 2.8Å; L181-V201 PolarHBondContact O-N 2.69Å
182L97.3Very high92.5Very high16 Ų1622.2 Ų22.28%0.08413%0.129CC..EExtended strand (participates in β ladder)trans-127.6112.1171.3173.363.1000108.8V170 K171 F180 D198 R200V170-L182 WeakPolarHBondContact CA-O 3.44Å; K171-L182 HydrophobicContact CG-CB 4.23Å; K171-L182 PolarHBondContact N-O 2.7Å; K171-L182 PolarHBondContact O-N 3.24Å; F180-L182 HydrophobicContact CE1-CB 4.1Å; L182-D198 HydrophobicContact CD1-CB 3.94Å; L182-R200 HydrophobicContact CD1-CG 3.85Å
183Q98.1Very high91.8Very high0 Ų022.6 Ų22.60%013%0.131CC..EExtended strand (participates in β ladder)trans-91.5129.5159.1171.6-114.2-56.300108.2F67 Y116 I168 S169 V170 L181 D198 T199F67-Q183 HydrophobicContact CD1-CB 3.82Å; F67-Q183 HydrophobicContact CD1-CG 4Å; F67-Q183 HydrophobicContact CE1-CB 3.79Å; F67-Q183 HydrophobicContact CE1-CG 4.31Å; Y116-Q183 PolarHBondContact O-NE2 3.2Å; Y116-Q183 PolarHBondContact O-OE1 3.04Å; I168-Q183 HydrophobicContact CD1-CG 4.02Å; I168-Q183 HydrophobicContact CG1-CG 4.13Å; S169-Q183 CarbonylContact O-C 3.58Å; S169-Q183 WeakPolarHBondContact O-CA 3.28Å; V170-Q183 HydrophobicContact CB-CB 4.18Å; V170-Q183 HydrophobicContact CG2-CB 3.95Å; L181-Q183 HydrophobicContact CD2-CB 4.46Å; Q183-D198 CarbonylContact O-C 3.55Å; Q183-D198 WeakPolarHBondContact O-CA 3.49Å; Q183-T199 PolarHBondContact N-O 3.22Å; Q183-T199 PolarHBondContact O-N 3.07Å; Q183-T199 VanDerWaalsContact OE1-CB 3.3Å; Q183-T199 PolarHBondContact OE1-OG1 2.84Å; Q183-T199 VanDerWaalsContact OE1-OG1 3.09Å
184R97.4Very high91.4Very high17 Ų1719.7 Ų19.76%0.06412%0.121CC..EExtended strand (participates in β ladder)trans-129.1121178.7172.7169.2-71.7178.1-0.7109.5I168 S169 F186 I196 N197 D198 F237I168-R184 VanDerWaalsContact CA-O 3.3Å; I168-R184 WeakPolarHBondContact CA-O 3.3Å; S169-R184 PolarHBondContact N-O 2.81Å; S169-R184 PolarHBondContact O-N 2.88Å; R184-F186 HydrophobicContact CG-CB 4.45Å; R184-I196 HydrophobicContact CG-CG2 4.02Å; R184-N197 WeakPolarHBondContact CA-O 3.48Å; R184-D198 WeakPolarHBondContact CB-OD1 3.42Å; R184-D198 WeakPolarHBondContact CG-OD1 3.49Å; R184-D198 IonicContact CZ-OD1 2.96Å; R184-D198 IonicContact CZ-OD2 3.06Å; R184-D198 IonicContact NE-OD1 3.87Å; R184-D198 PolarHBondContact NE-OD1 2.87Å; R184-D198 IonicContact NE-OD2 3.22Å; R184-D198 IonicContact NH2-OD1 2.66Å; R184-D198 PolarHBondContact NH2-OD1 3.31Å; R184-D198 IonicContact NH2-OD2 2.77Å; R184-D198 PolarHBondContact NH2-OD2 2.83Å; R184-F237 PolarHBondContact NH1-O 2.9Å
185F96.8Very high91Very high0 Ų021.1 Ų21.10%013%0.126CC..EExtended strand (participates in β ladder)trans-91.2129.4157.3171.9-93.8000108.5F112 T113 T114 F156 S166 M167 I168 L187 I196 N197F112-F185 WeakPolarHBondContact O-CE2 3.45Å; F112-F185 WeakPolarHBondContact O-CZ 3.21Å; T113-F185 VanDerWaalsContact CA-CZ 3.49Å; T113-F185 HydrophobicContact CG2-CE1 4.13Å; T114-F185 HydrophobicContact CG2-CB 4.37Å; T114-F185 HydrophobicContact CG2-CD2 3.87Å; T114-F185 HydrophobicContact CG2-CE2 4.45Å; T114-F185 HydrophobicContact CG2-CG 4.19Å; F156-F185 HydrophobicContact CE2-CE2 4.22Å; F156-F185 HydrophobicContact CZ-CD2 4.26Å; F156-F185 HydrophobicContact CZ-CE2 4.17Å; S166-F185 WeakPolarHBondContact OG-CE2 3.32Å; S166-F185 WeakPolarHBondContact OG-CZ 3.4Å; M167-F185 CarbonylContact O-C 3.52Å; M167-F185 VanDerWaalsContact O-CA 3.32Å; M167-F185 WeakPolarHBondContact O-CA 3.31Å; I168-F185 HydrophobicContact CB-CB 4.34Å; I168-F185 HydrophobicContact CB-CD2 4.2Å; I168-F185 HydrophobicContact CD1-CB 4.41Å; I168-F185 HydrophobicContact CG1-CB 4.39Å; F185-L187 HydrophobicContact CE1-CB 3.59Å; F185-L187 HydrophobicContact CZ-CB 3.82Å; F185-I196 CarbonylContact O-C 3.56Å; F185-I196 WeakPolarHBondContact O-CA 3.28Å; F185-N197 HydrophobicContact CB-CB 4.13Å; F185-N197 HydrophobicContact CD1-CB 4.33Å; F185-N197 PolarHBondContact N-O 3.24Å; F185-N197 PolarHBondContact O-N 3.11Å
186F95Very high90.9Very high0 Ų020.6 Ų20.60%012%0.124CC..EExtended strand (participates in β ladder)trans-124.3123.3179.3177.2-92.3000108.3V165 S166 M167 R184 R188 I194 I196 W231V165-F186 HydrophobicContact CG1-CD1 4.02Å; V165-F186 HydrophobicContact CG1-CE1 3.68Å; S166-F186 WeakPolarHBondContact CA-O 3.47Å; M167-F186 HydrophobicContact CE-CB 4.47Å; M167-F186 PolarHBondContact N-O 2.85Å; M167-F186 PolarHBondContact O-N 3.15Å; R184-F186 HydrophobicContact CG-CB 4.45Å; F186-R188 HydrophobicContact CE1-CB 3.93Å; F186-R188 HydrophobicContact CZ-CB 4.17Å; F186-I194 HydrophobicContact CE2-CG2 4.08Å; F186-I194 HydrophobicContact CZ-CG2 4.5Å; F186-I196 HydrophobicContact CD2-CD1 4.01Å; F186-I196 HydrophobicContact CD2-CG1 3.9Å; F186-I196 HydrophobicContact CE2-CD1 4.24Å; F186-I196 HydrophobicContact CE2-CG1 4.36Å; F186-W231 HydrophobicContact CZ-CH2 4.3Å; F186-W231 HydrophobicContact CZ-CZ2 4.27Å
187L91.9Very high90.9Very high1 Ų117.4 Ų17.41%0.00510%0.103CC..EExtended strand (participates in β ladder)trans-122.8131.5175171.365.2000108.8T111 L160 V165 F185 V189 L193 I194 R195T111-L187 HydrophobicContact CG2-CD1 4.22Å; T111-L187 HydrophobicContact CG2-CD2 4.13Å; L160-L187 HydrophobicContact CD1-CD1 3.73Å; V165-L187 CarbonylContact O-C 3.57Å; V165-L187 WeakPolarHBondContact O-CA 3.39Å; F185-L187 HydrophobicContact CE1-CB 3.59Å; F185-L187 HydrophobicContact CZ-CB 3.82Å; L187-V189 HydrophobicContact CD1-CG2 3.96Å; L187-V189 HydrophobicContact CG-CG2 4.27Å; L187-L193 HydrophobicContact CD2-CD1 4.2Å; L187-L193 HydrophobicContact CG-CD1 4.43Å; L187-I194 CarbonylContact O-C 3.52Å; L187-I194 WeakPolarHBondContact O-CA 3.47Å; L187-R195 HydrophobicContact CB-CB 4.19Å; L187-R195 HydrophobicContact CD2-CB 4.33Å; L187-R195 PolarHBondContact N-O 2.96Å; L187-R195 PolarHBondContact O-N 2.9Å
188R88.6Confident91.1Very high44 Ų4415.4 Ų15.417%0.1669%0.089CC..EExtended strand (participates in β ladder)trans-129.9126.7166-178.1-171.581.7-164.65.7107.1G164 V165 F186 D190 L193 I194G164-R188 CarbonylContact C-O 3.59Å; G164-R188 WeakPolarHBondContact CA-O 3.28Å; V165-R188 HydrophobicContact CG1-CB 4.07Å; V165-R188 PolarHBondContact N-O 3.03Å; V165-R188 PolarHBondContact O-N 3.35Å; F186-R188 HydrophobicContact CE1-CB 3.93Å; F186-R188 HydrophobicContact CZ-CB 4.17Å; R188-D190 IonicContact CZ-OD1 2.69Å; R188-D190 IonicContact NE-OD1 3.73Å; R188-D190 PolarHBondContact NE-OD1 3.4Å; R188-D190 IonicContact NH2-OD1 3.72Å; R188-D190 PolarHBondContact NH2-OD1 2.99Å; R188-D190 IonicContact NH2-OD2 2.7Å; R188-D190 PolarHBondContact NH2-OD2 3.09Å; R188-L193 WeakPolarHBondContact CA-O 3.2Å; R188-I194 HydrophobicContact CB-CG1 4.3Å; R188-I194 HydrophobicContact CG-CG1 3.94Å
189V85.7Confident91.2Very high13 Ų1315.3 Ų15.38%0.0799%0.088CC..EExtended strand (participates in β ladder)trans-111.2118167.9-178.90000106.2W110 T111 L160 L187 G191 V192 L193 I221W110-V189 HydrophobicContact CH2-CG1 4.09Å; W110-V189 HydrophobicContact CH2-CG2 4.19Å; T111-V189 HydrophobicContact CG2-CG2 4.31Å; L160-V189 HydrophobicContact CD1-CG2 4.28Å; L187-V189 HydrophobicContact CD1-CG2 3.96Å; L187-V189 HydrophobicContact CG-CG2 4.27Å; V189-G191 PolarHBondContact O-N 3.48Å; V189-V192 HydrophobicContact CB-CB 3.98Å; V189-V192 HydrophobicContact CB-CG2 4.47Å; V189-V192 HydrophobicContact CG1-CB 3.78Å; V189-V192 HydrophobicContact CG1-CG1 4.49Å; V189-V192 HydrophobicContact CG1-CG2 3.73Å; V189-V192 PolarHBondContact O-N 3.49Å; V189-L193 PolarHBondContact N-O 3.17Å; V189-L193 PolarHBondContact O-N 3.25Å; V189-I221 VanDerWaalsContact O-CD1 3.29Å; V189-I221 WeakPolarHBondContact O-CD1 3.49Å
190D79.9Confident91.2Very high68 Ų6816.9 Ų16.936%0.3649%0.094SC..THydrogen-bonded Turntrans-61.8131.7-168.9-71.9-8.9000111.1H163 R188 V192H163-D190 PolarHBondContact O-N 3.19Å; R188-D190 IonicContact CZ-OD1 2.69Å; R188-D190 IonicContact NE-OD1 3.73Å; R188-D190 PolarHBondContact NE-OD1 3.4Å; R188-D190 IonicContact NH2-OD1 3.72Å; R188-D190 PolarHBondContact NH2-OD1 2.99Å; R188-D190 IonicContact NH2-OD2 2.7Å; R188-D190 PolarHBondContact NH2-OD2 3.09Å; D190-V192 PolarHBondContact O-N 3.17Å; D190-V192 VanDerWaalsContact O-N 3.12Å
191G74.9Confident91.2Very high54 Ų5416 Ų1656%0.5579%0.09SC*.THydrogen-bonded Turntrans71.8-9.5-173.800000116.1V189V189-G191 PolarHBondContact O-N 3.48Å
192V80.3Confident91.2Very high30 Ų3016.5 Ų16.518%0.1829%0.092CC..THydrogen-bonded Turntrans-106.8-73.9-173.4-1760000112.1C87 V189 D190 S220 I221C87-V192 HydrophobicContact CB-CG2 4.25Å; V189-V192 HydrophobicContact CB-CB 3.98Å; V189-V192 HydrophobicContact CB-CG2 4.47Å; V189-V192 HydrophobicContact CG1-CB 3.78Å; V189-V192 HydrophobicContact CG1-CG1 4.49Å; V189-V192 HydrophobicContact CG1-CG2 3.73Å; V189-V192 PolarHBondContact O-N 3.49Å; D190-V192 PolarHBondContact O-N 3.17Å; D190-V192 VanDerWaalsContact O-N 3.12Å; V192-S220 WeakPolarHBondContact O-CA 3.23Å; V192-I221 PolarHBondContact O-N 2.9Å
193L83.6Confident91.1Very high10 Ų1016.7 Ų16.75%0.0529%0.092CC..EExtended strand (participates in β ladder)trans-152.6162.6-171.568.582.4000113.4L187 R188 V189 R195 N219L187-L193 HydrophobicContact CD2-CD1 4.2Å; L187-L193 HydrophobicContact CG-CD1 4.43Å; R188-L193 WeakPolarHBondContact CA-O 3.2Å; V189-L193 PolarHBondContact N-O 3.17Å; V189-L193 PolarHBondContact O-N 3.25Å; L193-R195 HydrophobicContact CD1-CB 3.95Å; L193-N219 WeakPolarHBondContact CA-O 3.32Å
194I86.5Confident90.8Very high13 Ų1318.9 Ų18.97%0.06710%0.102CC..EExtended strand (participates in β ladder)trans-120.8132163.6-67.8173.1000108.2F186 L187 R188 I196 E218 N219 I221 L224 Y243F186-I194 HydrophobicContact CE2-CG2 4.08Å; F186-I194 HydrophobicContact CZ-CG2 4.5Å; L187-I194 CarbonylContact O-C 3.52Å; L187-I194 WeakPolarHBondContact O-CA 3.47Å; R188-I194 HydrophobicContact CB-CG1 4.3Å; R188-I194 HydrophobicContact CG-CG1 3.94Å; I194-I196 HydrophobicContact CG2-CG1 4.3Å; I194-E218 WeakPolarHBondContact O-CA 3.48Å; I194-N219 PolarHBondContact N-O 2.67Å; I194-N219 PolarHBondContact O-N 3.07Å; I194-I221 HydrophobicContact CG1-CG1 4.44Å; I194-L224 HydrophobicContact CD1-CD1 4.01Å; I194-Y243 HydrophobicContact CB-CE1 4.4Å; I194-Y243 HydrophobicContact CD1-CE1 4.26Å; I194-Y243 HydrophobicContact CG2-CE1 4.16Å; I194-Y243 HydrophobicContact CG2-CE2 4.23Å
195R88.1Confident90.6Very high31 Ų3123 Ų2312%0.11713%0.125CC..EExtended strand (participates in β ladder)trans-128.2137.8174.9175.9-175-66.3160.9-2.8110.5T113 L187 L193 T216 R217 E218T113-R195 PolarHBondContact OG1-NH1 3.42Å; L187-R195 HydrophobicContact CB-CB 4.19Å; L187-R195 HydrophobicContact CD2-CB 4.33Å; L187-R195 PolarHBondContact N-O 2.96Å; L187-R195 PolarHBondContact O-N 2.9Å; L193-R195 HydrophobicContact CD1-CB 3.95Å; R195-T216 HydrophobicContact CG-CG2 4.46Å; R195-R217 CarbonylContact C-O 3.53Å; R195-R217 VanDerWaalsContact CA-O 3.3Å; R195-R217 WeakPolarHBondContact CA-O 3.41Å; R195-E218 IonicContact CZ-OE2 3.45Å; R195-E218 IonicContact NE-OE2 2.87Å; R195-E218 PolarHBondContact NE-OE2 3.4Å; R195-E218 IonicContact NH2-OE2 2.68Å; R195-E218 PolarHBondContact NH2-OE2 3.34Å
196I92.8Very high90.1Very high0 Ų026.5 Ų26.50%016%0.162CC..EExtended strand (participates in β ladder)trans-132.4118.3177.5-54.7-174.8000109.2R184 F185 F186 I194 D198 T216 R217 A240 Y243R184-I196 HydrophobicContact CG-CG2 4.02Å; F185-I196 CarbonylContact O-C 3.56Å; F185-I196 WeakPolarHBondContact O-CA 3.28Å; F186-I196 HydrophobicContact CD2-CD1 4.01Å; F186-I196 HydrophobicContact CD2-CG1 3.9Å; F186-I196 HydrophobicContact CE2-CD1 4.24Å; F186-I196 HydrophobicContact CE2-CG1 4.36Å; I194-I196 HydrophobicContact CG2-CG1 4.3Å; I196-D198 WeakPolarHBondContact CG2-OD1 3.35Å; I196-T216 CarbonylContact O-C 3.59Å; I196-T216 WeakPolarHBondContact O-CA 3.47Å; I196-R217 HydrophobicContact CB-CB 4.45Å; I196-R217 PolarHBondContact N-O 3.12Å; I196-R217 PolarHBondContact O-N 2.89Å; I196-A240 HydrophobicContact CD1-CB 3.89Å; I196-Y243 HydrophobicContact CD1-CD2 3.67Å; I196-Y243 HydrophobicContact CD1-CE2 3.6Å; I196-Y243 HydrophobicContact CG1-CD2 4.47Å
197N95.1Very high89.9Confident4 Ų428.9 Ų28.92%0.02117%0.172CC..EExtended strand (participates in β ladder)trans-104.6111.3168.2-61.6-23.5000108.9T114 R184 F185 F214 S215 T216T114-N197 PolarHBondContact O-ND2 3.13Å; R184-N197 WeakPolarHBondContact CA-O 3.48Å; F185-N197 HydrophobicContact CB-CB 4.13Å; F185-N197 HydrophobicContact CD1-CB 4.33Å; F185-N197 PolarHBondContact N-O 3.24Å; F185-N197 PolarHBondContact O-N 3.11Å; N197-F214 HydrophobicContact CB-CE2 3.97Å; N197-F214 HydrophobicContact CB-CZ 4.07Å; N197-S215 WeakPolarHBondContact CA-O 3.34Å; N197-T216 WeakPolarHBondContact OD1-CB 3.09Å; N197-T216 WeakPolarHBondContact OD1-CG2 3.15Å; N197-T216 PolarHBondContact OD1-OG1 3.15Å
198D96.1Very high89.8Confident0 Ų033 Ų330%019%0.194CC..EExtended strand (participates in β ladder)trans-105.3125.3177.2-77.8-21000110.3L182 Q183 R184 I196 R200 F214 S215L182-D198 HydrophobicContact CD1-CB 3.94Å; Q183-D198 CarbonylContact O-C 3.55Å; Q183-D198 WeakPolarHBondContact O-CA 3.49Å; R184-D198 WeakPolarHBondContact CB-OD1 3.42Å; R184-D198 WeakPolarHBondContact CG-OD1 3.49Å; R184-D198 IonicContact CZ-OD1 2.96Å; R184-D198 IonicContact CZ-OD2 3.06Å; R184-D198 IonicContact NE-OD1 3.87Å; R184-D198 PolarHBondContact NE-OD1 2.87Å; R184-D198 IonicContact NE-OD2 3.22Å; R184-D198 IonicContact NH2-OD1 2.66Å; R184-D198 PolarHBondContact NH2-OD1 3.31Å; R184-D198 IonicContact NH2-OD2 2.77Å; R184-D198 PolarHBondContact NH2-OD2 2.83Å; I196-D198 WeakPolarHBondContact CG2-OD1 3.35Å; D198-R200 IonicContact OD2-CZ 2.67Å; D198-R200 IonicContact OD2-NH1 3.11Å; D198-R200 IonicContact OD2-NH2 3.21Å; D198-R200 PolarHBondContact OD2-NH2 2.82Å; D198-F214 CarbonylContact O-C 3.56Å; D198-F214 WeakPolarHBondContact O-CA 3.36Å; D198-S215 PolarHBondContact N-O 3.22Å; D198-S215 PolarHBondContact O-N 3.01Å
199T96.9Very high89.9Confident0 Ų032.4 Ų32.40%019%0.192CC..EExtended strand (participates in β ladder)trans-107112.8163.5-58.30000108.6F67 Y116 R117 Q183 V201 R212 E213 F214F67-T199 HydrophobicContact CE1-CG2 4.47Å; Y116-T199 PolarHBondContact O-OG1 3.29Å; R117-T199 HydrophobicContact CB-CG2 4.01Å; Q183-T199 PolarHBondContact N-O 3.22Å; Q183-T199 PolarHBondContact O-N 3.07Å; Q183-T199 VanDerWaalsContact OE1-CB 3.3Å; Q183-T199 PolarHBondContact OE1-OG1 2.84Å; Q183-T199 VanDerWaalsContact OE1-OG1 3.09Å; T199-V201 HydrophobicContact CG2-CG2 4.47Å; T199-R212 HydrophobicContact CG2-CG 3.91Å; T199-E213 CarbonylContact C-O 3.55Å; T199-E213 WeakPolarHBondContact CA-O 3.46Å; T199-F214 WeakPolarHBondContact OG1-CD2 3.45Å
200R96.8Very high90.4Very high34 Ų3431.9 Ų31.913%0.12819%0.189CC..EExtended strand (participates in β ladder)trans-100.9133.3175.4-65.3173.3-178.973.59.4109.5I136 F180 L181 L182 D198 R212 E213 S215I136-R200 HydrophobicContact CD1-CB 3.63Å; F180-R200 HydrophobicContact CE2-CB 4.04Å; F180-R200 HydrophobicContact CE2-CG 4.22Å; F180-R200 HydrophobicContact CZ-CB 4.21Å; F180-R200 HydrophobicContact CZ-CG 3.91Å; L181-R200 CarbonylContact O-C 3.6Å; L181-R200 WeakPolarHBondContact O-CA 2.98Å; L182-R200 HydrophobicContact CD1-CG 3.85Å; D198-R200 IonicContact OD2-CZ 2.67Å; D198-R200 IonicContact OD2-NH1 3.11Å; D198-R200 IonicContact OD2-NH2 3.21Å; D198-R200 PolarHBondContact OD2-NH2 2.82Å; R200-R212 CarbonylContact O-C 3.53Å; R200-R212 VanDerWaalsContact O-CA 3.22Å; R200-R212 WeakPolarHBondContact O-CA 3.5Å; R200-E213 HydrophobicContact CB-CB 4.41Å; R200-E213 PolarHBondContact N-O 2.87Å; R200-E213 PolarHBondContact O-N 3Å; R200-S215 PolarHBondContact NH1-OG 2.83Å
201V96.8Very high91.1Very high0 Ų028.9 Ų28.90%017%0.173CC..EExtended strand (participates in β ladder)trans-122.8130.1171.7-178.80000108.7I65 F67 F180 L181 T199 M210 L211 R212I65-V201 HydrophobicContact CD1-CG2 4.47Å; F67-V201 HydrophobicContact CZ-CG2 4.17Å; F180-V201 WeakPolarHBondContact CA-O 3.14Å; L181-V201 HydrophobicContact CB-CB 4.24Å; L181-V201 HydrophobicContact CD2-CB 4.33Å; L181-V201 HydrophobicContact CD2-CG2 4.24Å; L181-V201 PolarHBondContact N-O 2.8Å; L181-V201 PolarHBondContact O-N 2.69Å; T199-V201 HydrophobicContact CG2-CG2 4.47Å; V201-M210 HydrophobicContact CG1-CB 4.19Å; V201-M210 HydrophobicContact CG1-SD 3.83Å; V201-L211 CarbonylContact C-O 3.57Å; V201-L211 VanDerWaalsContact CA-O 3.29Å; V201-L211 WeakPolarHBondContact CA-O 3.22Å; V201-R212 HydrophobicContact CG2-CB 4.29Å; V201-R212 HydrophobicContact CG2-CG 4.03Å
202Y96.3Very high92.2Very high12 Ų1227.5 Ų27.55%0.04715%0.151CC..EExtended strand (participates in β ladder)trans-131.4137178.4176.4-103.8000110.5I136 L141 F179 F180 E204 M210 L211I136-Y202 HydrophobicContact CG2-CG 4.14Å; L141-Y202 HydrophobicContact CD2-CD2 3.87Å; L141-Y202 HydrophobicContact CD2-CE2 3.74Å; F179-Y202 WeakPolarHBondContact O-CA 3.35Å; F179-Y202 WeakPolarHBondContact O-CD2 3.49Å; F180-Y202 HydrophobicContact CB-CD2 4.42Å; F180-Y202 HydrophobicContact CD2-CD2 4.35Å; Y202-E204 HydrophobicContact CE1-CB 3.9Å; Y202-M210 CarbonylContact O-C 3.54Å; Y202-M210 WeakPolarHBondContact O-CA 3.46Å; Y202-L211 HydrophobicContact CD1-CD1 4.44Å; Y202-L211 PolarHBondContact N-O 2.8Å; Y202-L211 PolarHBondContact O-N 2.96Å
203Y95.2Very high92.9Very high19 Ų1926.8 Ų26.88%0.07515%0.145CC..EExtended strand (participates in β ladder)trans-133.7138.6173.1176.8-104.5000109.3F15 W18 S178 F179 K207 M210 L255F15-Y203 HydrophobicContact CD1-CD1 4.43Å; F15-Y203 HydrophobicContact CD1-CE1 4.45Å; F15-Y203 AromaticContact CE1-CD1 3.83Å; F15-Y203 HydrophobicContact CE1-CD1 3.83Å; F15-Y203 AromaticContact CE1-CE1 3.82Å; F15-Y203 HydrophobicContact CE1-CE1 3.82Å; W18-Y203 AromaticContact CD1-CE1 3.7Å; W18-Y203 AromaticContact NE1-CD1 3.94Å; W18-Y203 AromaticContact NE1-CE1 3.35Å; W18-Y203 VanDerWaalsContact NE1-CE1 3.35Å; W18-Y203 AromaticContact NE1-CZ 3.4Å; S178-Y203 CarbonylContact C-O 3.59Å; S178-Y203 WeakPolarHBondContact CA-O 3.32Å; S178-Y203 WeakPolarHBondContact CB-O 3.32Å; F179-Y203 AromaticContact CD1-CD1 3.83Å; F179-Y203 HydrophobicContact CD1-CD1 3.83Å; F179-Y203 HydrophobicContact CD1-CG 4.34Å; F179-Y203 VanDerWaalsContact CE1-CB 3.47Å; F179-Y203 AromaticContact CE1-CD1 3.31Å; F179-Y203 HydrophobicContact CE1-CD1 3.31Å; F179-Y203 HydrophobicContact CE1-CE1 4.3Å; F179-Y203 AromaticContact CE1-CG 3.64Å; F179-Y203 HydrophobicContact CE1-CG 3.64Å; F179-Y203 VanDerWaalsContact CE2-CB 3.44Å; F179-Y203 HydrophobicContact CE2-CG 4.43Å; F179-Y203 AromaticContact CZ-CD1 3.9Å; F179-Y203 HydrophobicContact CZ-CD1 3.9Å; F179-Y203 AromaticContact CZ-CG 3.7Å; F179-Y203 HydrophobicContact CZ-CG 3.7Å; F179-Y203 PolarHBondContact N-O 2.9Å; F179-Y203 PolarHBondContact O-N 2.84Å; F179-Y203 VanDerWaalsContact O-N 3.1Å; Y203-K207 HydrophobicContact CE2-CB 4.44Å; Y203-K207 VanDerWaalsContact CE2-O 3.23Å; Y203-K207 WeakPolarHBondContact CE2-O 3.3Å; Y203-K207 PolarHBondContact OH-O 2.82Å; Y203-M210 HydrophobicContact CD2-CG 3.99Å; Y203-M210 HydrophobicContact CG-CG 4.43Å; Y203-L255 HydrophobicContact CE2-CD1 4.23Å
204E93.3Very high93.5Very high47 Ų4726.8 Ų26.822%0.2215%0.145CC..EExtended strand (participates in β ladder)trans-117.8134.4175.6-171.4168.8-173.700107.3K140 Y202 K207K140-E204 IonicContact NZ-OE1 3.46Å; K140-E204 PolarHBondContact NZ-OE1 2.84Å; K140-E204 IonicContact NZ-OE2 3.22Å; K140-E204 PolarHBondContact NZ-OE2 3.09Å; Y202-E204 HydrophobicContact CE1-CB 3.9Å; E204-K207 HydrophobicContact CB-CD 4.02Å; E204-K207 HydrophobicContact CB-CG 4.2Å; E204-K207 WeakPolarHBondContact O-CB 3.09Å; E204-K207 PolarHBondContact O-N 2.55Å; E204-K207 VanDerWaalsContact O-N 3.09Å; E204-K207 WeakPolarHBondContact OE2-CE 3.41Å; E204-K207 IonicContact OE2-NZ 3.03Å
205D91.4Very high93.8Very high103 Ų10326.3 Ų26.355%0.55114%0.143SC*.THydrogen-bonded Turntrans-56.9140.2-179.2-170.936.8000110.9F15 S177 K207F15-D205 HydrophobicContact CZ-CB 4.08Å; S177-D205 WeakPolarHBondContact O-CB 3.44Å; S177-D205 PolarHBondContact O-N 3.03Å; D205-K207 VanDerWaalsContact C-N 3.29Å; D205-K207 PolarHBondContact O-N 3.21Å
206G87.4Confident94Very high74 Ų7425.9 Ų25.976%0.76314%0.144SC*.THydrogen-bonded Turntrans80.3-6.2-174.300000116
207K90.2Very high93.7Very high50 Ų5027.7 Ų27.722%0.21715%0.151CC..  trans-81.4149.7167.6-67-168173.8-165.90111.3E134 Y203 E204 D205 Y209E134-K207 IonicContact OE1-NZ 3.11Å; E134-K207 PolarHBondContact OE1-NZ 2.87Å; Y203-K207 HydrophobicContact CE2-CB 4.44Å; Y203-K207 VanDerWaalsContact CE2-O 3.23Å; Y203-K207 WeakPolarHBondContact CE2-O 3.3Å; Y203-K207 PolarHBondContact OH-O 2.82Å; E204-K207 HydrophobicContact CB-CD 4.02Å; E204-K207 HydrophobicContact CB-CG 4.2Å; E204-K207 WeakPolarHBondContact O-CB 3.09Å; E204-K207 PolarHBondContact O-N 2.55Å; E204-K207 VanDerWaalsContact O-N 3.09Å; E204-K207 WeakPolarHBondContact OE2-CE 3.41Å; E204-K207 IonicContact OE2-NZ 3.03Å; D205-K207 VanDerWaalsContact C-N 3.29Å; D205-K207 PolarHBondContact O-N 3.21Å; K207-Y209 HydrophobicContact CD-CE1 4.21Å; K207-Y209 HydrophobicContact CD-CE2 4.02Å; K207-Y209 WeakPolarHBondContact CE-OH 3.46Å; K207-Y209 PolarHBondContact NZ-OH 3.01Å
208D89.5Confident93.3Very high88 Ų8830.4 Ų30.447%0.47116%0.163SC..SBendtrans-95.18174.965.9-33.3000113L255D208-L255 WeakPolarHBondContact O-CB 3.06Å; D208-L255 PolarHBondContact O-N 3.41Å
209Y92Very high92.5Very high30 Ų3031.4 Ų31.412%0.11817%0.168CC..EExtended strand (participates in β ladder)trans-142.9155.6177.463.2-90.5000112.4E134 K207 L211 R252 I253 F254E134-Y209 PolarHBondContact OE1-OH 3.15Å; E134-Y209 VanDerWaalsContact OE1-OH 3.07Å; E134-Y209 WeakPolarHBondContact OE2-CE2 3.43Å; E134-Y209 PolarHBondContact OE2-OH 2.7Å; E134-Y209 VanDerWaalsContact OE2-OH 3.13Å; K207-Y209 HydrophobicContact CD-CE1 4.21Å; K207-Y209 HydrophobicContact CD-CE2 4.02Å; K207-Y209 WeakPolarHBondContact CE-OH 3.46Å; K207-Y209 PolarHBondContact NZ-OH 3.01Å; Y209-L211 HydrophobicContact CD2-CD2 4.18Å; Y209-L211 HydrophobicContact CD2-CG 4.28Å; Y209-L211 HydrophobicContact CE2-CD2 3.85Å; Y209-L211 HydrophobicContact CE2-CG 3.93Å; Y209-R252 HydrophobicContact CD2-CB 4.38Å; Y209-R252 HydrophobicContact CD2-CG 3.83Å; Y209-R252 HydrophobicContact CE2-CG 4.24Å; Y209-R252 HydrophobicContact CG-CG 4.31Å; Y209-I253 CarbonylContact C-O 3.46Å; Y209-I253 WeakPolarHBondContact CA-O 3.41Å; Y209-I253 WeakPolarHBondContact CB-O 3.12Å; Y209-F254 HydrophobicContact CD1-CE1 4.15Å; Y209-F254 HydrophobicContact CG-CE1 4.47Å
210M95Very high91.6Very high3 Ų332.9 Ų32.92%0.01518%0.179CC..EExtended strand (participates in β ladder)trans-98.1146.2161.6-52.6-171.2-171.200110.3W18 I57 F179 V201 Y202 Y203 R252 I253 L255W18-M210 HydrophobicContact CD2-CE 4.14Å; W18-M210 HydrophobicContact CE3-CE 3.83Å; W18-M210 HydrophobicContact CH2-CE 3.07Å; W18-M210 HydrophobicContact CZ2-CE 3.5Å; W18-M210 VanDerWaalsContact CZ2-CE 3.5Å; W18-M210 HydrophobicContact CZ3-CE 3.27Å; I57-M210 HydrophobicContact CG2-CE 4.26Å; F179-M210 HydrophobicContact CE2-CE 4.43Å; F179-M210 HydrophobicContact CE2-SD 4.14Å; F179-M210 HydrophobicContact CZ-CE 3.71Å; F179-M210 HydrophobicContact CZ-SD 3.97Å; V201-M210 HydrophobicContact CG1-CB 4.19Å; V201-M210 HydrophobicContact CG1-SD 3.83Å; Y202-M210 CarbonylContact O-C 3.54Å; Y202-M210 WeakPolarHBondContact O-CA 3.46Å; Y203-M210 HydrophobicContact CD2-CG 3.99Å; Y203-M210 HydrophobicContact CG-CG 4.43Å; M210-R252 WeakPolarHBondContact O-CA 3.28Å; M210-I253 HydrophobicContact CB-CB 4.31Å; M210-I253 PolarHBondContact N-O 2.93Å; M210-I253 PolarHBondContact O-N 3.21Å; M210-L255 HydrophobicContact CE-CD1 4.29Å; M210-L255 HydrophobicContact CG-CD1 4.12Å
211L96.1Very high90.3Very high5 Ų532.1 Ų32.13%0.02618%0.177CC..EExtended strand (participates in β ladder)trans-89.1129.5165.7-69.4173.7000109.3T132 E134 I136 V201 Y202 Y209 R252T132-L211 HydrophobicContact CG2-CD2 4.31Å; E134-L211 HydrophobicContact CB-CD2 4.08Å; E134-L211 HydrophobicContact CG-CD1 3.95Å; E134-L211 HydrophobicContact CG-CD2 3.98Å; I136-L211 HydrophobicContact CD1-CB 4.49Å; I136-L211 HydrophobicContact CG1-CB 3.87Å; I136-L211 HydrophobicContact CG1-CD1 4.25Å; V201-L211 CarbonylContact C-O 3.57Å; V201-L211 VanDerWaalsContact CA-O 3.29Å; V201-L211 WeakPolarHBondContact CA-O 3.22Å; Y202-L211 HydrophobicContact CD1-CD1 4.44Å; Y202-L211 PolarHBondContact N-O 2.8Å; Y202-L211 PolarHBondContact O-N 2.96Å; Y209-L211 HydrophobicContact CD2-CD2 4.18Å; Y209-L211 HydrophobicContact CD2-CG 4.28Å; Y209-L211 HydrophobicContact CE2-CD2 3.85Å; Y209-L211 HydrophobicContact CE2-CG 3.93Å; L211-R252 HydrophobicContact CD2-CG 3.88Å
212R96.6Very high89Confident25 Ų2538 Ų389%0.09421%0.213CC..EExtended strand (participates in β ladder)trans-122.4118.7170.9-179.8178.966.3-179.7-3.1110.3R117 T199 R200 V201 T251 I253R117-R212 PolarHBondContact O-NH1 2.93Å; T199-R212 HydrophobicContact CG2-CG 3.91Å; R200-R212 CarbonylContact O-C 3.53Å; R200-R212 VanDerWaalsContact O-CA 3.22Å; R200-R212 WeakPolarHBondContact O-CA 3.5Å; V201-R212 HydrophobicContact CG2-CB 4.29Å; V201-R212 HydrophobicContact CG2-CG 4.03Å; R212-T251 PolarHBondContact N-O 3.38Å; R212-T251 PolarHBondContact NE-OG1 2.81Å; R212-T251 PolarHBondContact O-N 3.37Å; R212-T251 PolarHBondContact O-OG1 3.16Å; R212-T251 VanDerWaalsContact O-OG1 3.1Å; R212-I253 HydrophobicContact CB-CD1 3.93Å; R212-I253 HydrophobicContact CB-CG1 4.3Å
213E96Very high87.3Confident14 Ų1443.4 Ų43.47%0.06524%0.239CC..EExtended strand (participates in β ladder)trans-112.6124.2174.9-55.5-165161.900111R135 I136 T199 R200 Q249 L250R135-E213 WeakPolarHBondContact CA-OE1 3.49Å; R135-E213 WeakPolarHBondContact CB-OE1 3.15Å; R135-E213 WeakPolarHBondContact CD-OE1 3.41Å; R135-E213 IonicContact NE-OE1 2.7Å; R135-E213 PolarHBondContact NE-OE1 3.32Å; I136-E213 HydrophobicContact CD1-CB 4.28Å; I136-E213 HydrophobicContact CD1-CG 3.71Å; I136-E213 HydrophobicContact CG1-CG 3.81Å; I136-E213 PolarHBondContact N-OE1 3.35Å; T199-E213 CarbonylContact C-O 3.55Å; T199-E213 WeakPolarHBondContact CA-O 3.46Å; R200-E213 HydrophobicContact CB-CB 4.41Å; R200-E213 PolarHBondContact N-O 2.87Å; R200-E213 PolarHBondContact O-N 3Å; E213-Q249 WeakPolarHBondContact CA-O 3.49Å; E213-L250 HydrophobicContact CB-CD2 3.84Å; E213-L250 VanDerWaalsContact CD-CD2 3.43Å; E213-L250 HydrophobicContact CG-CD2 3.39Å; E213-L250 WeakPolarHBondContact OE1-CD2 3.36Å
214F95.8Very high85.7Confident10 Ų1043.8 Ų43.84%0.04424%0.242CC..EExtended strand (participates in β ladder)trans-102.9137.5169.4179.1-99.6000110D115 R117 N197 D198 T199 T216 R248 Q249D115-F214 HydrophobicContact CB-CZ 4.03Å; R117-F214 HydrophobicContact CG-CD2 3.93Å; R117-F214 HydrophobicContact CG-CE2 4.44Å; R117-F214 HydrophobicContact CG-CG 4.43Å; N197-F214 HydrophobicContact CB-CE2 3.97Å; N197-F214 HydrophobicContact CB-CZ 4.07Å; D198-F214 CarbonylContact O-C 3.56Å; D198-F214 WeakPolarHBondContact O-CA 3.36Å; T199-F214 WeakPolarHBondContact OG1-CD2 3.45Å; F214-T216 WeakPolarHBondContact CE1-OG1 3.48Å; F214-T216 WeakPolarHBondContact CZ-OG1 3.39Å; F214-R248 CarbonylContact O-C 3.6Å; F214-R248 VanDerWaalsContact O-CA 3.3Å; F214-R248 WeakPolarHBondContact O-CA 3.3Å; F214-Q249 PolarHBondContact N-O 3.12Å; F214-Q249 PolarHBondContact O-N 3.49Å
215S93.4Very high83.9Confident4 Ų452 Ų523%0.02828%0.277CS..EExtended strand (participates in β ladder)trans-142.9132.3171.663.40000111.6N197 D198 R200 A247N197-S215 WeakPolarHBondContact CA-O 3.34Å; D198-S215 PolarHBondContact N-O 3.22Å; D198-S215 PolarHBondContact O-N 3.01Å; R200-S215 PolarHBondContact NH1-OG 2.83Å; S215-A247 VanDerWaalsContact CA-O 3.32Å; S215-A247 WeakPolarHBondContact CA-O 3.3Å
216T90.7Very high82.2Confident22 Ų2250.3 Ų50.314%0.13526%0.263CS..EExtended strand (participates in β ladder)trans-99.5131.4166.3-630000108.5R195 I196 N197 F214 V246 A247R195-T216 HydrophobicContact CG-CG2 4.46Å; I196-T216 CarbonylContact O-C 3.59Å; I196-T216 WeakPolarHBondContact O-CA 3.47Å; N197-T216 WeakPolarHBondContact OD1-CB 3.09Å; N197-T216 WeakPolarHBondContact OD1-CG2 3.15Å; N197-T216 PolarHBondContact OD1-OG1 3.15Å; F214-T216 WeakPolarHBondContact CE1-OG1 3.48Å; F214-T216 WeakPolarHBondContact CZ-OG1 3.39Å; T216-V246 HydrophobicContact CG2-CG2 3.39Å; T216-V246 WeakPolarHBondContact O-CG2 3.31Å; T216-V246 PolarHBondContact O-N 2.98Å; T216-A247 PolarHBondContact N-O 3.16Å; T216-A247 PolarHBondContact O-N 3.3Å
217R87.9Confident80.4Confident38 Ų3852 Ų5214%0.14326%0.255CS..EExtended strand (participates in β ladder)trans-122.5139.2171.2-60.7176.3-178.7-102.53.3109.6R195 I196 A240 Y243 E244 V245R195-R217 CarbonylContact C-O 3.53Å; R195-R217 VanDerWaalsContact CA-O 3.3Å; R195-R217 WeakPolarHBondContact CA-O 3.41Å; I196-R217 HydrophobicContact CB-CB 4.45Å; I196-R217 PolarHBondContact N-O 3.12Å; I196-R217 PolarHBondContact O-N 2.89Å; R217-A240 WeakPolarHBondContact CD-O 3.08Å; R217-A240 PolarHBondContact NH1-O 2.68Å; R217-Y243 PolarHBondContact NH1-O 3.16Å; R217-E244 WeakPolarHBondContact CA-O 3.19Å; R217-E244 VanDerWaalsContact CB-O 3.3Å; R217-E244 WeakPolarHBondContact CB-O 3.33Å; R217-V245 HydrophobicContact CG-CG2 4.03Å; R217-V245 VanDerWaalsContact CZ-CG2 3.43Å; R217-V245 VanDerWaalsContact NH1-CG2 3.32Å
218E84.9Confident78.7Confident60 Ų6056.3 Ų56.328%0.2827%0.273SS..EExtended strand (participates in β ladder)trans-149.9139.8-178-177.8170.7110.100110.6I194 R195 E244 V246I194-E218 WeakPolarHBondContact O-CA 3.48Å; R195-E218 IonicContact CZ-OE2 3.45Å; R195-E218 IonicContact NE-OE2 2.87Å; R195-E218 PolarHBondContact NE-OE2 3.4Å; R195-E218 IonicContact NH2-OE2 2.68Å; R195-E218 PolarHBondContact NH2-OE2 3.34Å; E218-E244 PolarHBondContact N-O 3.21Å; E218-V246 HydrophobicContact CB-CG1 4.21Å; E218-V246 HydrophobicContact CB-CG2 4.24Å
219N80.6Confident76.7Confident21 Ų2155.8 Ų55.811%0.11228%0.276CS..EExtended strand (participates in β ladder)trans-144.9149.4167.6-80.591.7000110.2L193 I194 E223 L224 Y243 E244L193-N219 WeakPolarHBondContact CA-O 3.32Å; I194-N219 PolarHBondContact N-O 2.67Å; I194-N219 PolarHBondContact O-N 3.07Å; N219-E223 PolarHBondContact ND2-OE2 2.95Å; N219-L224 HydrophobicContact CB-CD1 4.05Å; N219-L224 HydrophobicContact CB-CG 4.23Å; N219-Y243 HydrophobicContact CB-CD1 4.16Å; N219-Y243 WeakPolarHBondContact OD1-CA 3.22Å; N219-Y243 VanDerWaalsContact OD1-CB 3.3Å; N219-Y243 WeakPolarHBondContact OD1-CB 3.33Å; N219-E244 PolarHBondContact OD1-N 2.86Å
220S77.9Confident74.4Confident31 Ų3161.9 Ų61.922%0.21731%0.306CS..EExtended strand (participates in β ladder)trans-70.3146.716667.90000110.1V192 T222 E223 L224V192-S220 WeakPolarHBondContact O-CA 3.23Å; S220-T222 PolarHBondContact O-N 3.17Å; S220-T222 PolarHBondContact OG-OG1 3.29Å; S220-T222 VanDerWaalsContact OG-OG1 3.12Å; S220-E223 PolarHBondContact O-N 2.66Å; S220-E223 VanDerWaalsContact OG-CG 3.24Å; S220-E223 WeakPolarHBondContact OG-CG 3.43Å; S220-E223 PolarHBondContact OG-N 3.08Å; S220-E223 PolarHBondContact OG-OE1 3.03Å; S220-L224 PolarHBondContact O-N 2.95Å
221I70.3Confident72.6Confident18 Ų1865 Ų659%0.09232%0.318CS..THydrogen-bonded Turntrans-66.4-28.1177.2-72.5180000111.1V189 V192 I194 E223 L224 F228V189-I221 VanDerWaalsContact O-CD1 3.29Å; V189-I221 WeakPolarHBondContact O-CD1 3.49Å; V192-I221 PolarHBondContact O-N 2.9Å; I194-I221 HydrophobicContact CG1-CG1 4.44Å; I221-E223 VanDerWaalsContact C-N 3.3Å; I221-E223 PolarHBondContact O-N 2.98Å; I221-L224 CarbonylContact O-C 3.51Å; I221-L224 PolarHBondContact O-N 3.41Å; I221-L224 VanDerWaalsContact O-N 3.16Å; I221-F228 HydrophobicContact CG2-CZ 4.03Å
222T67.9Low70.4Confident123 Ų12372 Ų7276%0.75535%0.35SS*.THydrogen-bonded Turntrans-64.7-31.1177.849.40000113.3S220S220-T222 PolarHBondContact O-N 3.17Å; S220-T222 PolarHBondContact OG-OG1 3.29Å; S220-T222 VanDerWaalsContact OG-OG1 3.12Å
223E62Low68Low126 Ų12679 Ų7959%0.58938%0.381SS*.THydrogen-bonded Turntrans-77.4-28.3174.4-73.6160.1-150.300112.7N219 S220 I221 K225N219-E223 PolarHBondContact ND2-OE2 2.95Å; S220-E223 PolarHBondContact O-N 2.66Å; S220-E223 VanDerWaalsContact OG-CG 3.24Å; S220-E223 WeakPolarHBondContact OG-CG 3.43Å; S220-E223 PolarHBondContact OG-N 3.08Å; S220-E223 PolarHBondContact OG-OE1 3.03Å; I221-E223 VanDerWaalsContact C-N 3.3Å; I221-E223 PolarHBondContact O-N 2.98Å; E223-K225 PolarHBondContact O-N 3.06Å; E223-K225 VanDerWaalsContact O-N 3.16Å
224L61.6Low65.4Low28 Ų2886 Ų8615%0.14741%0.414CS..SBendtrans-80.893.7175.3-66.5162.8000107.9I194 N219 S220 I221 W226 Y243I194-L224 HydrophobicContact CD1-CD1 4.01Å; N219-L224 HydrophobicContact CB-CD1 4.05Å; N219-L224 HydrophobicContact CB-CG 4.23Å; S220-L224 PolarHBondContact O-N 2.95Å; I221-L224 CarbonylContact O-C 3.51Å; I221-L224 PolarHBondContact O-N 3.41Å; I221-L224 VanDerWaalsContact O-N 3.16Å; L224-W226 HydrophobicContact CB-CB 4.34Å; L224-W226 WeakPolarHBondContact O-CB 3.29Å; L224-W226 PolarHBondContact O-N 3.18Å; L224-Y243 HydrophobicContact CD1-CD1 4.19Å; L224-Y243 HydrophobicContact CD1-CE1 3.68Å; L224-Y243 HydrophobicContact CD2-CD1 4Å; L224-Y243 HydrophobicContact CD2-CE1 3.71Å; L224-Y243 HydrophobicContact CG-CE1 4.36Å
225K55.5Low63Low218 Ų21886.7 Ų86.795%0.94842%0.421SS*.  trans-61.772.2168.3-67.1-177.1179.6179.90110.6E223E223-K225 PolarHBondContact O-N 3.06Å; E223-K225 VanDerWaalsContact O-N 3.16Å
226W55.9Low61.1Low69 Ų6988.9 Ų88.926%0.26143%0.429SS..  trans-108135.4-164.4-162.6-81.8000111.4L224 W231 Q239L224-W226 HydrophobicContact CB-CB 4.34Å; L224-W226 WeakPolarHBondContact O-CB 3.29Å; L224-W226 PolarHBondContact O-N 3.18Å; W226-W231 HydrophobicContact CZ2-CE3 4.43Å; W226-W231 HydrophobicContact CZ2-CZ3 4.03Å; W226-Q239 HydrophobicContact CH2-CB 4.09Å; W226-Q239 HydrophobicContact CH2-CG 4.01Å
227D49.3Very low59.1Low110 Ų11090.3 Ų90.359%0.58843%0.433SS*.  trans-92.9113.9173.5-175.1-7.5000109.3S229D227-S229 PolarHBondContact O-N 3.47Å; D227-S229 VanDerWaalsContact OD1-CB 3.23Å; D227-S229 WeakPolarHBondContact OD1-CB 3.44Å; D227-S229 PolarHBondContact OD1-N 2.82Å; D227-S229 PolarHBondContact OD1-OG 3.14Å; D227-S229 PolarHBondContact OD2-OG 3.24Å; D227-S229 VanDerWaalsContact OD2-OG 3.07Å
228F53.2Low57.3Low139 Ų13992.9 Ų92.961%0.6146%0.457SS*.G310 helixtrans-74-4.7-177.4-71.7-87.4000113.7I221 H230I221-F228 HydrophobicContact CG2-CZ 4.03Å; F228-H230 PolarHBondContact O-N 3.09Å
229S48.2Very low55.9Low77 Ų7792 Ų9254%0.53845%0.453SS..G310 helixtrans-74.3-13.3-169.861.40000116.5D227D227-S229 PolarHBondContact O-N 3.47Å; D227-S229 VanDerWaalsContact OD1-CB 3.23Å; D227-S229 WeakPolarHBondContact OD1-CB 3.44Å; D227-S229 PolarHBondContact OD1-N 2.82Å; D227-S229 PolarHBondContact OD1-OG 3.14Å; D227-S229 PolarHBondContact OD2-OG 3.24Å; D227-S229 VanDerWaalsContact OD2-OG 3.07Å
230H43.9Very low54.7Low159 Ų15991.3 Ų91.374%0.73645%0.45SS*.G310 helixtrans-127.832.1-169.9-74.579.3000115.3F228 E232F228-H230 PolarHBondContact O-N 3.09Å; H230-E232 PolarHBondContact O-N 3.24Å; H230-E232 VanDerWaalsContact O-N 3.15Å
231W56.4Low53.8Low69 Ų6993 Ų9326%0.26147%0.473SS..  trans-84.589.9-174.9-173.4-109.1000114.2F186 W226 A235 R236F186-W231 HydrophobicContact CZ-CH2 4.3Å; F186-W231 HydrophobicContact CZ-CZ2 4.27Å; W226-W231 HydrophobicContact CZ2-CE3 4.43Å; W226-W231 HydrophobicContact CZ2-CZ3 4.03Å; W231-A235 HydrophobicContact CE3-CB 3.69Å; W231-A235 HydrophobicContact CZ3-CB 3.9Å; W231-R236 HydrophobicContact CD2-CG 4.49Å; W231-R236 HydrophobicContact CH2-CB 3.86Å; W231-R236 HydrophobicContact CH2-CG 3.86Å; W231-R236 HydrophobicContact CZ2-CB 3.71Å; W231-R236 HydrophobicContact CZ2-CG 3.25Å; W231-R236 VanDerWaalsContact NE1-NE 3.16Å
232E49.9Very low53.4Low150 Ų15099.1 Ų99.170%0.70150%0.499SS*.  trans-89.6158.2162.6-74.8-175.6159.800112.1H230 E234 A235H230-E232 PolarHBondContact O-N 3.24Å; H230-E232 VanDerWaalsContact O-N 3.15Å; E232-E234 PolarHBondContact O-N 3.39Å; E232-A235 WeakPolarHBondContact O-CB 3.38Å; E232-A235 PolarHBondContact O-N 3.44Å
233K47.6Very low53.5Low173 Ų17393.6 Ų93.675%0.75246%0.464SS*.THydrogen-bonded Turntrans-52.4-23.6-176.4-71-177.8176.4-175.10114.8R236K233-R236 WeakPolarHBondContact O-CG 3.32Å
234E40.7Very low54.1Low162 Ų16293.6 Ų93.676%0.75746%0.464SS*.THydrogen-bonded Turntrans-80.6-26.3178.8-68.7-171.5149.800113.8E232 R236E232-E234 PolarHBondContact O-N 3.39Å; E234-R236 PolarHBondContact O-N 3.34Å
235A44.8Very low54.8Low23 Ų2394.6 Ų94.619%0.1947%0.471CS..Hα-helixtrans-69.6-21.4-179.600000112.9W231 E232 F237W231-A235 HydrophobicContact CE3-CB 3.69Å; W231-A235 HydrophobicContact CZ3-CB 3.9Å; E232-A235 WeakPolarHBondContact O-CB 3.38Å; E232-A235 PolarHBondContact O-N 3.44Å; A235-F237 PolarHBondContact O-N 3.32Å
236R53.6Low56Low50 Ų5088.1 Ų88.119%0.18945%0.45CS..Hα-helixtrans-58.1-30.4179.3-42.3-153.5171.4170.8-8.7113.6W231 K233 E234W231-R236 HydrophobicContact CD2-CG 4.49Å; W231-R236 HydrophobicContact CH2-CB 3.86Å; W231-R236 HydrophobicContact CH2-CG 3.86Å; W231-R236 HydrophobicContact CZ2-CB 3.71Å; W231-R236 HydrophobicContact CZ2-CG 3.25Å; W231-R236 VanDerWaalsContact NE1-NE 3.16Å; K233-R236 WeakPolarHBondContact O-CG 3.32Å; E234-R236 PolarHBondContact O-N 3.34Å
237F49Very low57Low53 Ų5387 Ų8723%0.23246%0.455CS..Hα-helixtrans-112.2-19.9-166.9-60.3-75.1000114.4M167 R184 A235M167-F237 HydrophobicContact CE-CE1 3.76Å; M167-F237 HydrophobicContact CE-CE2 4.23Å; M167-F237 HydrophobicContact CE-CZ 3.27Å; M167-F237 HydrophobicContact SD-CZ 4.27Å; R184-F237 PolarHBondContact NH1-O 2.9Å; A235-F237 PolarHBondContact O-N 3.32Å
238S49.9Very low58.8Low91 Ų9187 Ų8764%0.63645%0.447SS*.Hα-helixtrans-82.8-18.6-172.663.60000113.8
239Q54.9Low60.3Low41 Ų4184 Ų8419%0.19244%0.435CS..THydrogen-bonded Turntrans-100.87.9-172.5-55.3-154.53700114.9W226 G241 K242 Y243W226-Q239 HydrophobicContact CH2-CB 4.09Å; W226-Q239 HydrophobicContact CH2-CG 4.01Å; Q239-G241 PolarHBondContact O-N 3.1Å; Q239-K242 HydrophobicContact CB-CD 4.34Å; Q239-K242 WeakPolarHBondContact O-CB 3.3Å; Q239-K242 PolarHBondContact O-N 2.9Å; Q239-K242 VanDerWaalsContact OE1-CE 3.26Å; Q239-Y243 WeakPolarHBondContact O-CE2 3.45Å
240A56.7Low62.1Low8 Ų881.5 Ų81.57%0.06642%0.415CS..G310 helixtrans-53.7-26.3-179.100000114.3I196 R217 K242I196-A240 HydrophobicContact CD1-CB 3.89Å; R217-A240 WeakPolarHBondContact CD-O 3.08Å; R217-A240 PolarHBondContact NH1-O 2.68Å; A240-K242 VanDerWaalsContact C-N 3.26Å; A240-K242 PolarHBondContact O-N 3.39Å
241G57.8Low63.9Low67 Ų6774.1 Ų74.169%0.69138%0.382SS*.G310 helixtrans-71.1-14.8176.900000115Q239Q239-G241 PolarHBondContact O-N 3.1Å
242K62.5Low65.4Low145 Ų14574.3 Ų74.363%0.6338%0.382SS*.G310 helixtrans-84.3-16179.3-62.8-173.4-178.4177.70113.4Q239 A240Q239-K242 HydrophobicContact CB-CD 4.34Å; Q239-K242 WeakPolarHBondContact O-CB 3.3Å; Q239-K242 PolarHBondContact O-N 2.9Å; Q239-K242 VanDerWaalsContact OE1-CE 3.26Å; A240-K242 VanDerWaalsContact C-N 3.26Å; A240-K242 PolarHBondContact O-N 3.39Å
243Y70.3Confident67.1Low7 Ų767.3 Ų67.33%0.02735%0.35CS..SBendtrans-90.3143.2-178-49.5-64.5000111.9I194 I196 R217 N219 L224 Q239I194-Y243 HydrophobicContact CB-CE1 4.4Å; I194-Y243 HydrophobicContact CD1-CE1 4.26Å; I194-Y243 HydrophobicContact CG2-CE1 4.16Å; I194-Y243 HydrophobicContact CG2-CE2 4.23Å; I196-Y243 HydrophobicContact CD1-CD2 3.67Å; I196-Y243 HydrophobicContact CD1-CE2 3.6Å; I196-Y243 HydrophobicContact CG1-CD2 4.47Å; R217-Y243 PolarHBondContact NH1-O 3.16Å; N219-Y243 HydrophobicContact CB-CD1 4.16Å; N219-Y243 WeakPolarHBondContact OD1-CA 3.22Å; N219-Y243 VanDerWaalsContact OD1-CB 3.3Å; N219-Y243 WeakPolarHBondContact OD1-CB 3.33Å; L224-Y243 HydrophobicContact CD1-CD1 4.19Å; L224-Y243 HydrophobicContact CD1-CE1 3.68Å; L224-Y243 HydrophobicContact CD2-CD1 4Å; L224-Y243 HydrophobicContact CD2-CE1 3.71Å; L224-Y243 HydrophobicContact CG-CE1 4.36Å; Q239-Y243 WeakPolarHBondContact O-CE2 3.45Å
244E74.8Confident68.6Low127 Ų12761.6 Ų61.659%0.59333%0.325SS*.  trans-62.9138.8178.6-174170.1-178.500110.7R217 E218 N219 V246R217-E244 WeakPolarHBondContact CA-O 3.19Å; R217-E244 VanDerWaalsContact CB-O 3.3Å; R217-E244 WeakPolarHBondContact CB-O 3.33Å; E218-E244 PolarHBondContact N-O 3.21Å; N219-E244 PolarHBondContact OD1-N 2.86Å; E244-V246 PolarHBondContact O-N 2.65Å
245V76.1Confident70.2Confident49 Ų4954.5 Ų54.530%0.29729%0.292SS..EExtended strand (participates in β ladder)trans-89.2106.3176.6-179.10000108.2R217 R248R217-V245 HydrophobicContact CG-CG2 4.03Å; R217-V245 VanDerWaalsContact CZ-CG2 3.43Å; R217-V245 VanDerWaalsContact NH1-CG2 3.32Å; V245-R248 HydrophobicContact CG1-CB 4.35Å
246V81Confident71.2Confident81 Ų8158 Ų5849%0.49131%0.305SS..EExtended strand (participates in β ladder)trans-89-25.4-178.5-61.30000112.7T216 E218 E244T216-V246 HydrophobicContact CG2-CG2 3.39Å; T216-V246 WeakPolarHBondContact O-CG2 3.31Å; T216-V246 PolarHBondContact O-N 2.98Å; E218-V246 HydrophobicContact CB-CG1 4.21Å; E218-V246 HydrophobicContact CB-CG2 4.24Å; E244-V246 PolarHBondContact O-N 2.65Å
247A77.3Confident71.4Confident46 Ų4661.1 Ų61.138%0.3832%0.321SS..EExtended strand (participates in β ladder)trans-147.5148.4173.700000111.9S215 T216S215-A247 VanDerWaalsContact CA-O 3.32Å; S215-A247 WeakPolarHBondContact CA-O 3.3Å; T216-A247 PolarHBondContact N-O 3.16Å; T216-A247 PolarHBondContact O-N 3.3Å
248R85.8Confident71.3Confident111 Ų11162.9 Ų62.942%0.41934%0.34SS..EExtended strand (participates in β ladder)trans-147.7139174.3-177176.2-73.7149.5-2.9110.9F214 V245 L250F214-R248 CarbonylContact O-C 3.6Å; F214-R248 VanDerWaalsContact O-CA 3.3Å; F214-R248 WeakPolarHBondContact O-CA 3.3Å; V245-R248 HydrophobicContact CG1-CB 4.35Å; R248-L250 HydrophobicContact CG-CD2 4.22Å; R248-L250 HydrophobicContact CG-CG 4.48Å
249Q85.6Confident71Confident75 Ų7564.5 Ų64.535%0.3535%0.346SS..EExtended strand (participates in β ladder)trans-136.4138.4170.5-174.4172.6-12.200110.6E213 F214 T251E213-Q249 WeakPolarHBondContact CA-O 3.49Å; F214-Q249 PolarHBondContact N-O 3.12Å; F214-Q249 PolarHBondContact O-N 3.49Å; Q249-T251 HydrophobicContact CG-CG2 4.29Å
250L85.4Confident70.4Confident25 Ų2571 Ų7113%0.13138%0.376CS..EExtended strand (participates in β ladder)trans-121.5128-177.3-54.2170.7000108.9T132 R135 E213 R248T132-L250 HydrophobicContact CG2-CB 4.12Å; T132-L250 PolarHBondContact N-O 3.11Å; T132-L250 VanDerWaalsContact O-CB 3.28Å; T132-L250 WeakPolarHBondContact O-CB 3.47Å; R135-L250 HydrophobicContact CG-CD1 4.48Å; E213-L250 HydrophobicContact CB-CD2 3.84Å; E213-L250 VanDerWaalsContact CD-CD2 3.43Å; E213-L250 HydrophobicContact CG-CD2 3.39Å; E213-L250 WeakPolarHBondContact OE1-CD2 3.36Å; R248-L250 HydrophobicContact CG-CD2 4.22Å; R248-L250 HydrophobicContact CG-CG 4.48Å
251T82.9Confident69.5Low4 Ų477.7 Ų77.73%0.02541%0.41CS..EExtended strand (participates in β ladder)trans-136.6142.8-178.253.10000111.1V129 T130 R212 Q249V129-T251 HydrophobicContact CG1-CG2 3.93Å; T130-T251 CarbonylContact O-C 3.58Å; T130-T251 VanDerWaalsContact O-CA 3.28Å; T130-T251 WeakPolarHBondContact O-CA 3.49Å; R212-T251 PolarHBondContact N-O 3.38Å; R212-T251 PolarHBondContact NE-OG1 2.81Å; R212-T251 PolarHBondContact O-N 3.37Å; R212-T251 PolarHBondContact O-OG1 3.16Å; R212-T251 VanDerWaalsContact O-OG1 3.1Å; Q249-T251 HydrophobicContact CG-CG2 4.29Å
252R87.8Confident68.5Low72 Ų7279.6 Ų79.627%0.27241%0.41SS..EExtended strand (participates in β ladder)trans-91.7137.2160.1-73.1178.6-177.2154.6-2.6108.7V129 T130 T132 E134 Y209 M210 L211 F254V129-R252 WeakPolarHBondContact CA-O 3.24Å; T130-R252 PolarHBondContact N-O 3.48Å; T130-R252 PolarHBondContact O-N 2.95Å; T132-R252 HydrophobicContact CG2-CG 3.89Å; T132-R252 PolarHBondContact OG1-NE 3.35Å; E134-R252 IonicContact OE2-CZ 3.4Å; E134-R252 IonicContact OE2-NE 2.67Å; E134-R252 PolarHBondContact OE2-NE 2.93Å; E134-R252 IonicContact OE2-NH2 3.83Å; E134-R252 PolarHBondContact OE2-NH2 3.3Å; Y209-R252 HydrophobicContact CD2-CB 4.38Å; Y209-R252 HydrophobicContact CD2-CG 3.83Å; Y209-R252 HydrophobicContact CE2-CG 4.24Å; Y209-R252 HydrophobicContact CG-CG 4.31Å; M210-R252 WeakPolarHBondContact O-CA 3.28Å; L211-R252 HydrophobicContact CD2-CG 3.88Å; R252-F254 HydrophobicContact CB-CD2 4.21Å; R252-F254 HydrophobicContact CB-CE2 3.95Å; R252-F254 HydrophobicContact CB-CZ 4.38Å
253I84.6Confident67.5Low4 Ų481.9 Ų81.92%0.02143%0.425CS..EExtended strand (participates in β ladder)trans-106.895.4169.3-55.1177.7000105.3I65 L120 I127 V129 Y209 M210 R212 L255I65-I253 HydrophobicContact CD1-CD1 4.37Å; L120-I253 HydrophobicContact CD2-CD1 4.26Å; L120-I253 HydrophobicContact CD2-CG2 4.43Å; I127-I253 HydrophobicContact CG2-CG2 3.5Å; V129-I253 HydrophobicContact CG2-CG1 4.48Å; Y209-I253 CarbonylContact C-O 3.46Å; Y209-I253 WeakPolarHBondContact CA-O 3.41Å; Y209-I253 WeakPolarHBondContact CB-O 3.12Å; M210-I253 HydrophobicContact CB-CB 4.31Å; M210-I253 PolarHBondContact N-O 2.93Å; M210-I253 PolarHBondContact O-N 3.21Å; R212-I253 HydrophobicContact CB-CD1 3.93Å; R212-I253 HydrophobicContact CB-CG1 4.3Å; I253-L255 HydrophobicContact CG2-CD2 4.14Å
254F79.4Confident66.2Low53 Ų5396.5 Ų96.523%0.23248%0.48CS..EExtended strand (participates in β ladder)trans-73.5141.1176.8-74.7-79.3000110.3K128 T130 Y209 R252K128-F254 HydrophobicContact CB-CB 4.28Å; K128-F254 PolarHBondContact N-O 2.79Å; K128-F254 VanDerWaalsContact N-O 3.15Å; K128-F254 PolarHBondContact O-N 3.12Å; T130-F254 HydrophobicContact CG2-CD2 4.05Å; T130-F254 HydrophobicContact CG2-CE2 4.04Å; T130-F254 WeakPolarHBondContact OG1-CE2 3.2Å; Y209-F254 HydrophobicContact CD1-CE1 4.15Å; Y209-F254 HydrophobicContact CG-CE1 4.47Å; R252-F254 HydrophobicContact CB-CD2 4.21Å; R252-F254 HydrophobicContact CB-CE2 3.95Å; R252-F254 HydrophobicContact CB-CZ 4.38Å
255L74.4Confident65.8Low12 Ų1295 Ų956%0.06347%0.474CS..EExtended strand (participates in β ladder)trans-114.992.4-171.4-51.3168.6000106W18 Y63 Y203 D208 M210 I253 H257W18-L255 HydrophobicContact CH2-CD1 3.65Å; W18-L255 HydrophobicContact CH2-CD2 3.95Å; W18-L255 HydrophobicContact CH2-CG 4.3Å; W18-L255 HydrophobicContact CZ2-CD1 3.33Å; W18-L255 HydrophobicContact CZ2-CG 4.38Å; Y63-L255 HydrophobicContact CD2-CD2 4.14Å; Y63-L255 HydrophobicContact CE2-CB 3.78Å; Y63-L255 HydrophobicContact CE2-CD2 3.77Å; Y63-L255 HydrophobicContact CE2-CG 4.21Å; Y203-L255 HydrophobicContact CE2-CD1 4.23Å; D208-L255 WeakPolarHBondContact O-CB 3.06Å; D208-L255 PolarHBondContact O-N 3.41Å; M210-L255 HydrophobicContact CE-CD1 4.29Å; M210-L255 HydrophobicContact CG-CD1 4.12Å; I253-L255 HydrophobicContact CG2-CD2 4.14Å; L255-H257 PolarHBondContact O-N 3.25Å
256Q65.3Low65.2Low98 Ų9897.4 Ų97.446%0.45848%0.484SS..  trans-77.9116.2-179.1-70.3-165.4-39.300108.5L125 Q126 S258L125-Q256 PolarHBondContact O-OE1 3.34Å; Q126-Q256 PolarHBondContact O-N 2.92Å; Q256-S258 PolarHBondContact O-N 2.9Å
257H58.3Low64.3Low114 Ų11498.3 Ų98.353%0.52848%0.483SS..  trans-64.5133.5165.5-64.8-50.9000108.4D61 L255 T259D61-H257 IonicContact OD2-ND1 3.34Å; L255-H257 PolarHBondContact O-N 3.25Å; H257-T259 PolarHBondContact O-N 3.2Å
258S47.3Very low63.6Low90 Ų90101.4 Ų101.463%0.62949%0.489SS*.  trans-56.197.4161.61620000106.9Q256 Q260Q256-S258 PolarHBondContact O-N 2.9Å; S258-Q260 PolarHBondContact O-N 2.92Å
259T43.6Very low62.2Low126 Ų126100.8 Ų100.877%0.77349%0.494SS*.  trans-61.8111161.516.10000105H257 I261H257-T259 PolarHBondContact O-N 3.2Å; T259-I261 PolarHBondContact O-N 2.63Å
260Q41.2Very low60.6Low176 Ų176102.5 Ų102.582%0.82250%0.503SS*.  trans-45.9117.3166.2-76-179.8-17.300107.3S258 P262S258-Q260 PolarHBondContact O-N 2.92Å; Q260-P262 VanDerWaalsContact O-CD 3.27Å; Q260-P262 WeakPolarHBondContact O-CD 3.14Å; Q260-P262 VanDerWaalsContact O-N 3.1Å
261I37.5Very low58.9Low150 Ų150108 Ų10877%0.76953%0.53SS*.  trans-54.9117.3168.1-60.3168000105T259 M263T259-I261 PolarHBondContact O-N 2.63Å; I261-M263 PolarHBondContact O-N 3.49Å
262P37.2Very low57Low107 Ų107116 Ų11670%0.69557%0.569SS**  trans-66.2110.6172.626.1-28.6000105.8Q260 R264Q260-P262 VanDerWaalsContact O-CD 3.27Å; Q260-P262 WeakPolarHBondContact O-CD 3.14Å; Q260-P262 VanDerWaalsContact O-N 3.1Å; P262-R264 PolarHBondContact O-N 3.39Å
263M41.5Very low54.5Low193 Ų193119.7 Ų119.795%0.95159%0.594SS**  trans-56112.2167.8-75.2-166.1-123.400107I261I261-M263 PolarHBondContact O-N 3.49Å
264R43.2Very low51.7Low313 Ų313130.2 Ų130.2100%1.18165%0.646SS**  trans-95.90163.1-85.5-170.7175.1-170.8-0.3108.8P262P262-R264 PolarHBondContact O-N 3.39Å

Retrieved 264 of 264 residues in 406.5 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).