A0A096LVT2_POEFO Loading...

Glycoprotein (transmembrane) nmb

AlphaFold DB , UniProt , Accession A0A096LVT2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 502 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1A33.1Very low57Low148 Ų148112.9 Ų112.9100%1.22361%0.614SS**  090.7000000107.7
2N33Very low58.4Low179 Ų179113.3 Ų113.396%0.95762%0.615SS**  trans-135.875.2170.9-84.8-10.2000105.2
3G38.2Very low59.8Low64 Ų64105.8 Ų105.866%0.6657%0.572SS**  trans-122109.6172.300000105.5L5G3-L5 PolarHBondContact O-N 3.4Å; G3-L5 VanDerWaalsContact O-N 3.07Å
4Q44Very low61Low184 Ų184105.5 Ų105.586%0.8658%0.576SS**PPolyproline II helixtrans-51.1116.6175.7-162.3164.8-3.700108.2R6Q4-R6 PolarHBondContact O-N 2.73Å; Q4-R6 VanDerWaalsContact O-N 3.14Å
5L56.5Low62Low65 Ų65102.4 Ų102.434%0.3457%0.565SS.*PPolyproline II helixtrans-62.8116.9-178.4-168.878.2000107.7G3 Y62 T64 V72 T73G3-L5 PolarHBondContact O-N 3.4Å; G3-L5 VanDerWaalsContact O-N 3.07Å; L5-Y62 HydrophobicContact CD2-CD1 3.45Å; L5-Y62 VanDerWaalsContact CD2-CD1 3.45Å; L5-Y62 HydrophobicContact CD2-CE1 3.95Å; L5-Y62 HydrophobicContact CD2-CG 4.37Å; L5-Y62 HydrophobicContact CG-CD1 3.99Å; L5-T64 HydrophobicContact CD1-CG2 4.05Å; L5-V72 HydrophobicContact CD1-CG2 3.65Å; L5-V72 HydrophobicContact CD2-CG2 3.83Å; L5-V72 HydrophobicContact CG-CG2 4.35Å; L5-T73 WeakPolarHBondContact CD2-O 3.36Å
6R65.6Low63.1Low144 Ų14496.9 Ų96.954%0.54353%0.533SS..EExtended strand (participates in β ladder)trans-95.8134.7179-75.1171.5172.5-171.7-3.5108.4Q4 Y62 E63Q4-R6 PolarHBondContact O-N 2.73Å; Q4-R6 VanDerWaalsContact O-N 3.14Å; R6-Y62 WeakPolarHBondContact O-CA 3.45Å; R6-E63 HydrophobicContact CB-CG 3.61Å; R6-E63 WeakPolarHBondContact CD-OE1 3.22Å; R6-E63 IonicContact NH1-OE1 3.43Å; R6-E63 PolarHBondContact O-N 2.91Å; R6-E63 VanDerWaalsContact O-N 3.14Å
7S72.9Confident63.8Low74 Ų7493.6 Ų93.652%0.51751%0.514SS..EExtended strand (participates in β ladder)trans-136.6156.6-177.255.30000111.3Y61S7-Y61 WeakPolarHBondContact CA-O 3.12Å; S7-Y61 WeakPolarHBondContact CB-O 3.45Å
8G72.7Confident64.4Low18 Ų1892.6 Ų92.619%0.18651%0.508CS..EExtended strand (participates in β ladder)trans-157.6163.8174.300000111.6Q60 Y61G8-Q60 CarbonylContact O-C 3.51Å; G8-Q60 WeakPolarHBondContact O-CA 3.35Å; G8-Y61 VanDerWaalsContact CA-CE1 3.5Å; G8-Y61 PolarHBondContact N-O 2.83Å; G8-Y61 WeakPolarHBondContact O-CD1 3.37Å; G8-Y61 PolarHBondContact O-N 2.87Å
9Y73.2Confident64.8Low153 Ų15391.7 Ų91.760%0.650%0.503SS*.EExtended strand (participates in β ladder)trans-86.9141.5177.8-71.8-85.1000111.2G59 Q60Y9-G59 CarbonylContact C-O 3.58Å; Y9-G59 WeakPolarHBondContact CA-O 3.05Å; Y9-Q60 HydrophobicContact CD1-CG 3.71Å; Y9-Q60 HydrophobicContact CE1-CG 3.65Å; Y9-Q60 HydrophobicContact CG-CG 4.45Å; Y9-Q60 VanDerWaalsContact CZ-NE2 3.26Å; Y9-Q60 PolarHBondContact OH-NE2 3.35Å; Y9-Q60 VanDerWaalsContact OH-NE2 3.11Å
10V74.4Confident65.2Low14 Ų1490.6 Ų90.69%0.08549%0.491CS..  trans-128.3112.8178.1-165.20000109.3W13 P35 G59 Y61V10-W13 HydrophobicContact CG1-CB 4.02Å; V10-W13 HydrophobicContact CG1-CE3 4.37Å; V10-P35 HydrophobicContact CB-CB 4.22Å; V10-P35 HydrophobicContact CG1-CB 3.78Å; V10-P35 HydrophobicContact CG2-CB 3.36Å; V10-P35 HydrophobicContact CG2-CG 3.98Å; V10-G59 PolarHBondContact N-O 2.89Å; V10-Y61 HydrophobicContact CG2-CD1 3.32Å; V10-Y61 HydrophobicContact CG2-CE1 4.24Å; V10-Y61 HydrophobicContact CG2-CG 3.94Å
11Y63Low65.2Low199 Ų19986.2 Ų86.278%0.7847%0.468SS*.SBendtrans-87-23177.1-63.3-79.9000112.6
12N73.8Confident66.6Low117 Ų11784.7 Ų84.763%0.62643%0.434SS*.  trans-125.954.8-175.4-68.9-21.7000112T14 S15 W16N12-T14 PolarHBondContact O-N 2.69Å; N12-S15 PolarHBondContact O-N 3.34Å; N12-W16 WeakPolarHBondContact O-CB 3.4Å; N12-W16 PolarHBondContact O-N 2.62Å
13W77.2Confident67.7Low17 Ų1779.6 Ų79.66%0.06442%0.423CS..Hα-helixtrans-60.5-44.9-176.1172.8-106.8000113.1V10 S15 W16 L17 P35 V54 H56 E87V10-W13 HydrophobicContact CG1-CB 4.02Å; V10-W13 HydrophobicContact CG1-CE3 4.37Å; W13-S15 PolarHBondContact O-N 3.27Å; W13-W16 AromaticContact CE3-CE3 3.95Å; W13-W16 HydrophobicContact CE3-CE3 3.95Å; W13-W16 HydrophobicContact CE3-CZ3 4.32Å; W13-W16 HydrophobicContact CH2-CE3 4.18Å; W13-W16 AromaticContact CH2-CZ3 3.75Å; W13-W16 HydrophobicContact CH2-CZ3 3.75Å; W13-W16 AromaticContact CZ3-CE3 3.68Å; W13-W16 HydrophobicContact CZ3-CE3 3.68Å; W13-W16 AromaticContact CZ3-CZ3 3.59Å; W13-W16 HydrophobicContact CZ3-CZ3 3.59Å; W13-W16 PolarHBondContact O-N 2.85Å; W13-L17 HydrophobicContact CD2-CD1 4.23Å; W13-L17 HydrophobicContact CD2-CG 4.36Å; W13-L17 VanDerWaalsContact CE2-CD1 3.48Å; W13-L17 HydrophobicContact CG-CD1 4.33Å; W13-L17 HydrophobicContact CZ2-CD1 3.92Å; W13-L17 HydrophobicContact CZ2-CD2 4.14Å; W13-L17 HydrophobicContact CZ2-CG 4.03Å; W13-L17 WeakPolarHBondContact O-CB 2.91Å; W13-L17 PolarHBondContact O-N 3.22Å; W13-P35 HydrophobicContact CE3-CG 4.25Å; W13-P35 HydrophobicContact CZ3-CG 3.92Å; W13-V54 HydrophobicContact CH2-CG1 3.95Å; W13-V54 HydrophobicContact CZ3-CG1 3.88Å; W13-H56 AromaticContact CD1-CE1 3.43Å; W13-H56 VanDerWaalsContact CD1-CE1 3.43Å; W13-H56 AromaticContact CD1-ND1 3.32Å; W13-H56 VanDerWaalsContact CD1-ND1 3.32Å; W13-H56 HydrophobicContact CD2-CB 3.79Å; W13-H56 AromaticContact CD2-CD2 3.75Å; W13-H56 AromaticContact CD2-CE1 3.87Å; W13-H56 AromaticContact CD2-CG 3.38Å; W13-H56 AromaticContact CD2-ND1 3.48Å; W13-H56 AromaticContact CE2-CG 3.48Å; W13-H56 VanDerWaalsContact CE2-CG 3.48Å; W13-H56 AromaticContact CE2-ND1 3.4Å; W13-H56 HydrophobicContact CE3-CB 3.8Å; W13-H56 AromaticContact CE3-CD2 3.82Å; W13-H56 AromaticContact CE3-CG 3.68Å; W13-H56 AromaticContact CG-CD2 3.95Å; W13-H56 AromaticContact CG-CE1 3.4Å; W13-H56 AromaticContact CG-CG 3.8Å; W13-H56 AromaticContact CG-ND1 3.45Å; W13-H56 AromaticContact CG-NE2 3.74Å; W13-H56 HydrophobicContact CH2-CB 3.42Å; W13-H56 VanDerWaalsContact CH2-CB 3.42Å; W13-H56 HydrophobicContact CZ2-CB 3.38Å; W13-H56 AromaticContact CZ2-CG 3.89Å; W13-H56 HydrophobicContact CZ3-CB 3.63Å; W13-H56 AromaticContact NE1-CE1 3.85Å; W13-H56 AromaticContact NE1-CG 3.83Å; W13-H56 AromaticContact NE1-ND1 3.23Å; W13-H56 PolarHBondContact NE1-ND1 3.18Å; W13-E87 VanDerWaalsContact CD1-OE2 3.31Å; W13-E87 HydrophobicContact CZ2-CB 4.3Å; W13-E87 PolarHBondContact NE1-OE2 3.2Å
14T75.9Confident68.6Low101 Ų10182.6 Ų82.662%0.6242%0.418SS*.Hα-helixtrans-63.6-40.9179.2-40.40000112.1N12 L17 D18N12-T14 PolarHBondContact O-N 2.69Å; T14-L17 WeakPolarHBondContact O-CB 3.44Å; T14-L17 PolarHBondContact O-N 3.25Å; T14-D18 PolarHBondContact O-N 2.91Å
15S75.9Confident69.6Low59 Ų5975.6 Ų75.641%0.41339%0.389SS..Hα-helixtrans-64.6-43.2174.7-168.70000111.4N12 W13 L17 D18 D19N12-S15 PolarHBondContact O-N 3.34Å; W13-S15 PolarHBondContact O-N 3.27Å; S15-L17 VanDerWaalsContact C-N 3.33Å; S15-L17 PolarHBondContact O-N 3.44Å; S15-D18 PolarHBondContact O-N 2.89Å; S15-D19 WeakPolarHBondContact O-CB 3.19Å; S15-D19 VanDerWaalsContact O-CG 3.22Å; S15-D19 PolarHBondContact O-N 2.86Å; S15-D19 PolarHBondContact OG-OD2 2.76Å
16W79.6Confident69.7Low15 Ų1579.1 Ų79.16%0.05741%0.414CS..Hα-helixtrans-63.1-40.1177.1178.587.7000111.8N12 W13 D19 Y20 V33 P35 V54 Y91N12-W16 WeakPolarHBondContact O-CB 3.4Å; N12-W16 PolarHBondContact O-N 2.62Å; W13-W16 AromaticContact CE3-CE3 3.95Å; W13-W16 HydrophobicContact CE3-CE3 3.95Å; W13-W16 HydrophobicContact CE3-CZ3 4.32Å; W13-W16 HydrophobicContact CH2-CE3 4.18Å; W13-W16 AromaticContact CH2-CZ3 3.75Å; W13-W16 HydrophobicContact CH2-CZ3 3.75Å; W13-W16 AromaticContact CZ3-CE3 3.68Å; W13-W16 HydrophobicContact CZ3-CE3 3.68Å; W13-W16 AromaticContact CZ3-CZ3 3.59Å; W13-W16 HydrophobicContact CZ3-CZ3 3.59Å; W13-W16 PolarHBondContact O-N 2.85Å; W16-D19 PolarHBondContact O-N 2.88Å; W16-Y20 HydrophobicContact CB-CD2 4.46Å; W16-Y20 AromaticContact CD1-CD2 3.23Å; W16-Y20 AromaticContact CD1-CE2 3.69Å; W16-Y20 HydrophobicContact CD2-CD2 4.41Å; W16-Y20 AromaticContact CG-CD2 3.84Å; W16-Y20 HydrophobicContact CG-CD2 3.84Å; W16-Y20 AromaticContact NE1-CD2 3.47Å; W16-Y20 AromaticContact NE1-CG 3.91Å; W16-Y20 WeakPolarHBondContact O-CB 3.36Å; W16-Y20 WeakPolarHBondContact O-CD2 3.03Å; W16-Y20 PolarHBondContact O-N 2.82Å; W16-V33 WeakPolarHBondContact CZ2-O 3.3Å; W16-V33 PolarHBondContact NE1-O 2.88Å; W16-P35 HydrophobicContact CD2-CB 4.33Å; W16-P35 HydrophobicContact CD2-CG 3.8Å; W16-P35 HydrophobicContact CE3-CG 4.1Å; W16-P35 HydrophobicContact CG-CB 4.29Å; W16-P35 HydrophobicContact CG-CG 4.29Å; W16-P35 HydrophobicContact CH2-CG 4.27Å; W16-P35 HydrophobicContact CZ2-CG 3.98Å; W16-P35 HydrophobicContact CZ3-CG 4.33Å; W16-V54 HydrophobicContact CH2-CB 4.28Å; W16-V54 HydrophobicContact CH2-CG1 4.01Å; W16-V54 HydrophobicContact CH2-CG2 4.17Å; W16-V54 HydrophobicContact CZ3-CG1 4.34Å; W16-Y91 HydrophobicContact CH2-CE2 4.04Å; W16-Y91 WeakPolarHBondContact CH2-OH 3.44Å
17L76.1Confident69.6Low41 Ų4174.7 Ų74.722%0.21540%0.4CS..Hα-helixtrans-61.5-42.4172.6-86.2170.6000112.2W13 T14 S15 G21 M89W13-L17 HydrophobicContact CD2-CD1 4.23Å; W13-L17 HydrophobicContact CD2-CG 4.36Å; W13-L17 VanDerWaalsContact CE2-CD1 3.48Å; W13-L17 HydrophobicContact CG-CD1 4.33Å; W13-L17 HydrophobicContact CZ2-CD1 3.92Å; W13-L17 HydrophobicContact CZ2-CD2 4.14Å; W13-L17 HydrophobicContact CZ2-CG 4.03Å; W13-L17 WeakPolarHBondContact O-CB 2.91Å; W13-L17 PolarHBondContact O-N 3.22Å; T14-L17 WeakPolarHBondContact O-CB 3.44Å; T14-L17 PolarHBondContact O-N 3.25Å; S15-L17 VanDerWaalsContact C-N 3.33Å; S15-L17 PolarHBondContact O-N 3.44Å; L17-G21 WeakPolarHBondContact O-CA 3.5Å; L17-G21 PolarHBondContact O-N 2.95Å; L17-M89 HydrophobicContact CD2-CB 4.45Å; L17-M89 HydrophobicContact CD2-CE 3.13Å
18D74.6Confident68.8Low75 Ų7576.3 Ų76.340%0.40141%0.409SS..Hα-helixtrans-64.2-45177-91.1-47.7000111.7T14 S15 K24T14-D18 PolarHBondContact O-N 2.91Å; S15-D18 PolarHBondContact O-N 2.89Å; D18-K24 WeakPolarHBondContact O-CB 3.11Å; D18-K24 WeakPolarHBondContact O-CD 3.35Å; D18-K24 IonicContact OD1-NZ 2.72Å; D18-K24 PolarHBondContact OD1-NZ 3.08Å
19D72.1Confident68.1Low76 Ų7681.2 Ų81.241%0.40644%0.436SS..Hα-helixtrans-75.7-39.8-174.8-66.5-30.5000112.5S15 W16 C25S15-D19 WeakPolarHBondContact O-CB 3.19Å; S15-D19 VanDerWaalsContact O-CG 3.22Å; S15-D19 PolarHBondContact O-N 2.86Å; S15-D19 PolarHBondContact OG-OD2 2.76Å; W16-D19 PolarHBondContact O-N 2.88Å; D19-C25 WeakPolarHBondContact O-CA 3.37Å; D19-C25 VanDerWaalsContact O-CB 3.24Å; D19-C25 WeakPolarHBondContact O-CB 3.47Å; D19-C25 PolarHBondContact O-N 3.34Å
20Y72.6Confident67.7Low68 Ų6879.7 Ų79.727%0.26743%0.432SS..Hα-helixtrans-118.3-6.3-170-56-77.9000114.4W16 K30 V33 Y91W16-Y20 HydrophobicContact CB-CD2 4.46Å; W16-Y20 AromaticContact CD1-CD2 3.23Å; W16-Y20 AromaticContact CD1-CE2 3.69Å; W16-Y20 HydrophobicContact CD2-CD2 4.41Å; W16-Y20 AromaticContact CG-CD2 3.84Å; W16-Y20 HydrophobicContact CG-CD2 3.84Å; W16-Y20 AromaticContact NE1-CD2 3.47Å; W16-Y20 AromaticContact NE1-CG 3.91Å; W16-Y20 WeakPolarHBondContact O-CB 3.36Å; W16-Y20 WeakPolarHBondContact O-CD2 3.03Å; W16-Y20 PolarHBondContact O-N 2.82Å; Y20-K30 VanDerWaalsContact CE1-O 3.31Å; Y20-K30 WeakPolarHBondContact CE1-O 3.34Å; Y20-V33 HydrophobicContact CD1-CG2 4.06Å; Y20-V33 HydrophobicContact CE1-CG2 3.76Å; Y20-V33 HydrophobicContact CE2-CG2 4.5Å; Y20-Y91 WeakPolarHBondContact O-CE1 3.46Å; Y20-Y91 PolarHBondContact O-OH 2.9Å
21G65.2Low67.3Low0 Ų080.5 Ų80.50%044%0.438CS..THydrogen-bonded Turntrans-88-42.8-172.500000115.1L17 P101L17-G21 WeakPolarHBondContact O-CA 3.5Å; L17-G21 PolarHBondContact O-N 2.95Å; G21-P101 WeakPolarHBondContact O-CB 3.49Å; G21-P101 WeakPolarHBondContact O-CG 3.09Å
22F62.7Low68Low116 Ų11672.5 Ų72.551%0.50941%0.409SS..SBendtrans-140.777.7179-72.2-81000111.9K24 M89F22-K24 PolarHBondContact O-N 2.82Å; F22-M89 HydrophobicContact CD2-CE 4.27Å; F22-M89 HydrophobicContact CE2-CE 3.76Å; F22-M89 HydrophobicContact CE2-SD 4.45Å; F22-M89 HydrophobicContact CZ-CE 4.37Å
23G55.1Low68.5Low72 Ų7268 Ų6874%0.74239%0.385SS*.SBendtrans68.42.8161.800000117.5C25G23-C25 VanDerWaalsContact C-N 3.28Å
24K58.4Low68.8Low127 Ų12767.2 Ų67.255%0.55238%0.382SS*.  trans-79.6-9.9175.5-58.9-171.3-168.4162.60113.7D18 F22 T26D18-K24 WeakPolarHBondContact O-CB 3.11Å; D18-K24 WeakPolarHBondContact O-CD 3.35Å; D18-K24 IonicContact OD1-NZ 2.72Å; D18-K24 PolarHBondContact OD1-NZ 3.08Å; F22-K24 PolarHBondContact O-N 2.82Å; K24-T26 PolarHBondContact O-N 2.86Å
25C63.7Low69.2Low36 Ų3663.6 Ų63.624%0.24336%0.361CS..  trans-68.6104.4178.2-1730000110.3D19 G23 C31D19-C25 WeakPolarHBondContact O-CA 3.37Å; D19-C25 VanDerWaalsContact O-CB 3.24Å; D19-C25 WeakPolarHBondContact O-CB 3.47Å; D19-C25 PolarHBondContact O-N 3.34Å; G23-C25 VanDerWaalsContact C-N 3.28Å; C25-C31 HydrophobicContact CB-CB 3.95Å; C25-C31 WeakPolarHBondContact CB-SG 3.17Å; C25-C31 PolarHBondContact O-SG 3.21Å; C25-C31 WeakPolarHBondContact SG-CA 3.29Å; C25-C31 WeakPolarHBondContact SG-CB 3.23Å; C25-C31 PolarHBondContact SG-N 2.02Å; C25-C31 CovalentContact SG-SG 2.02Å; C25-C31 PolarHBondContact SG-SG 3.36Å
26T59Low69.5Low140 Ų14064.7 Ų64.786%0.85936%0.362SS*.  trans-81-19.5-177.948.50000113.2K24 P28K24-T26 PolarHBondContact O-N 2.86Å; T26-P28 WeakPolarHBondContact O-CD 3.38Å
27D63.1Low69.4Low50 Ų5066.3 Ų66.327%0.26738%0.383SS..  trans-105.699.2-179-175.5-12.2000111.7T29 K30 C31D27-T29 PolarHBondContact O-N 2.81Å; D27-T29 WeakPolarHBondContact OD1-CB 3.38Å; D27-T29 PolarHBondContact OD1-N 3.2Å; D27-T29 PolarHBondContact OD1-OG1 2.96Å; D27-K30 HydrophobicContact CB-CB 4.24Å; D27-K30 HydrophobicContact CB-CD 4.29Å; D27-K30 HydrophobicContact CB-CG 4.4Å; D27-K30 PolarHBondContact O-N 2.93Å; D27-K30 WeakPolarHBondContact OD2-CD 3.46Å; D27-K30 WeakPolarHBondContact OD2-CE 3.27Å; D27-K30 WeakPolarHBondContact OD2-CG 3.48Å; D27-K30 IonicContact OD2-NZ 3.96Å; D27-K30 PolarHBondContact OD2-NZ 2.93Å; D27-C31 PolarHBondContact O-N 2.9Å; D27-C31 PolarHBondContact O-SG 2.96Å
28P57.4Low69.8Low108 Ų10867.1 Ų67.170%0.70139%0.385SS*.THydrogen-bonded Turntrans-62.5-13.4-17626.9-34.9000114.3T26T26-P28 WeakPolarHBondContact O-CD 3.38Å
29T57.4Low70.1Confident121 Ų12167.2 Ų67.274%0.74239%0.39SS*.THydrogen-bonded Turntrans-86.6-18.8175.568.60000113.3D27D27-T29 PolarHBondContact O-N 2.81Å; D27-T29 WeakPolarHBondContact OD1-CB 3.38Å; D27-T29 PolarHBondContact OD1-N 3.2Å; D27-T29 PolarHBondContact OD1-OG1 2.96Å
30K64.2Low70.6Confident122 Ų12264 Ų6453%0.5337%0.372SS..THydrogen-bonded Turntrans-103.7-15.7175.2-64.4178.1-171.7162.40112.8Y20 D27 V33Y20-K30 VanDerWaalsContact CE1-O 3.31Å; Y20-K30 WeakPolarHBondContact CE1-O 3.34Å; D27-K30 HydrophobicContact CB-CB 4.24Å; D27-K30 HydrophobicContact CB-CD 4.29Å; D27-K30 HydrophobicContact CB-CG 4.4Å; D27-K30 PolarHBondContact O-N 2.93Å; D27-K30 WeakPolarHBondContact OD2-CD 3.46Å; D27-K30 WeakPolarHBondContact OD2-CE 3.27Å; D27-K30 WeakPolarHBondContact OD2-CG 3.48Å; D27-K30 IonicContact OD2-NZ 3.96Å; D27-K30 PolarHBondContact OD2-NZ 2.93Å; K30-V33 WeakPolarHBondContact O-CG2 3.44Å
31C67Low70.9Confident30 Ų3063 Ų6320%0.20337%0.374CS..SBendtrans-70.3144.5172.7-47.30000110.6C25 D27C25-C31 HydrophobicContact CB-CB 3.95Å; C25-C31 WeakPolarHBondContact CB-SG 3.17Å; C25-C31 PolarHBondContact O-SG 3.21Å; C25-C31 WeakPolarHBondContact SG-CA 3.29Å; C25-C31 WeakPolarHBondContact SG-CB 3.23Å; C25-C31 PolarHBondContact SG-N 2.02Å; C25-C31 CovalentContact SG-SG 2.02Å; C25-C31 PolarHBondContact SG-SG 3.36Å; D27-C31 PolarHBondContact O-N 2.9Å; D27-C31 PolarHBondContact O-SG 2.96Å
32N77.9Confident71.1Confident31 Ų3169 Ų6917%0.16640%0.402CS..SBendtrans78.446.2-174.4-48.2-41000114.6F40 Y99N32-F40 HydrophobicContact CB-CB 4.29Å; N32-F40 HydrophobicContact CB-CD2 3.53Å; N32-F40 HydrophobicContact CB-CE2 4.01Å; N32-F40 HydrophobicContact CB-CG 4.03Å; N32-F40 WeakPolarHBondContact O-CB 3.33Å; N32-F40 VanDerWaalsContact O-CG 3.3Å; N32-F40 WeakPolarHBondContact O-CG 3.05Å; N32-F40 PolarHBondContact O-N 2.82Å; N32-Y99 HydrophobicContact CB-CD2 4.49Å; N32-Y99 PolarHBondContact ND2-N 3.43Å; N32-Y99 PolarHBondContact OD1-O 2.72Å
33V82.4Confident71.2Confident22 Ų2266.2 Ų66.213%0.13340%0.397CS..BIsolated β-bridgetrans-114.6147.9169-63.90000110.3W16 Y20 K30 K38 F40W16-V33 WeakPolarHBondContact CZ2-O 3.3Å; W16-V33 PolarHBondContact NE1-O 2.88Å; Y20-V33 HydrophobicContact CD1-CG2 4.06Å; Y20-V33 HydrophobicContact CE1-CG2 3.76Å; Y20-V33 HydrophobicContact CE2-CG2 4.5Å; K30-V33 WeakPolarHBondContact O-CG2 3.44Å; V33-K38 CarbonylContact C-O 3.58Å; V33-K38 VanDerWaalsContact CA-O 3.27Å; V33-K38 WeakPolarHBondContact CA-O 3.46Å; V33-F40 WeakPolarHBondContact O-CE1 3.23Å
34F85.5Confident71.2Confident1 Ų167.5 Ų67.50%0.00439%0.387CS..  trans-69.7167167.4-67.8-70.6000110.3D36 G37 K38 F40 I52 V54 Y61 E63F34-D36 WeakPolarHBondContact CB-OD1 3.13Å; F34-D36 PolarHBondContact O-N 3.28Å; F34-D36 VanDerWaalsContact O-N 3.1Å; F34-G37 PolarHBondContact O-N 3.24Å; F34-K38 HydrophobicContact CD2-CB 4.3Å; F34-K38 HydrophobicContact CD2-CD 4.49Å; F34-K38 HydrophobicContact CD2-CG 4.35Å; F34-K38 WeakPolarHBondContact CD2-O 3.39Å; F34-K38 PolarHBondContact N-O 2.89Å; F34-F40 AromaticContact CD1-CD1 3.93Å; F34-F40 HydrophobicContact CD1-CD1 3.93Å; F34-F40 AromaticContact CD1-CE1 3.6Å; F34-F40 HydrophobicContact CD1-CE1 3.6Å; F34-F40 AromaticContact CD2-CD1 3.76Å; F34-F40 HydrophobicContact CD2-CD1 3.76Å; F34-F40 HydrophobicContact CD2-CE1 4.2Å; F34-F40 AromaticContact CE1-CD1 3.79Å; F34-F40 HydrophobicContact CE1-CD1 3.79Å; F34-F40 AromaticContact CE1-CE1 3.73Å; F34-F40 HydrophobicContact CE1-CE1 3.73Å; F34-F40 AromaticContact CE2-CD1 3.64Å; F34-F40 HydrophobicContact CE2-CD1 3.64Å; F34-F40 HydrophobicContact CE2-CE1 4.32Å; F34-F40 AromaticContact CG-CD1 3.91Å; F34-F40 HydrophobicContact CG-CD1 3.91Å; F34-F40 AromaticContact CG-CE1 3.84Å; F34-F40 HydrophobicContact CG-CE1 3.84Å; F34-F40 AromaticContact CZ-CD1 3.65Å; F34-F40 HydrophobicContact CZ-CD1 3.65Å; F34-F40 HydrophobicContact CZ-CE1 4.09Å; F34-I52 HydrophobicContact CE1-CG2 3.7Å; F34-I52 HydrophobicContact CZ-CG2 4.03Å; F34-V54 HydrophobicContact CD1-CG2 4.03Å; F34-V54 HydrophobicContact CE1-CG2 4.09Å; F34-Y61 HydrophobicContact CB-CE2 3.99Å; F34-Y61 HydrophobicContact CD1-CE2 4.18Å; F34-Y61 HydrophobicContact CG-CE2 4.3Å; F34-E63 HydrophobicContact CD1-CB 4.03Å; F34-E63 WeakPolarHBondContact CD2-OE2 3.47Å; F34-E63 HydrophobicContact CE1-CB 3.46Å; F34-E63 VanDerWaalsContact CE1-CB 3.46Å; F34-E63 HydrophobicContact CE1-CG 4.35Å; F34-E63 VanDerWaalsContact CE2-OE2 3.24Å; F34-E63 WeakPolarHBondContact CE2-OE2 3.48Å; F34-E63 HydrophobicContact CZ-CB 3.86Å; F34-E63 HydrophobicContact CZ-CG 4.36Å; F34-E63 WeakPolarHBondContact CZ-OE2 3.18Å
35P83.3Confident71.2Confident25 Ų2566.5 Ų66.516%0.16239%0.387CS..THydrogen-bonded Turntrans-56.8-22.7178.6-28.135.6000115.8V10 W13 W16 G37 V54 Y61V10-P35 HydrophobicContact CB-CB 4.22Å; V10-P35 HydrophobicContact CG1-CB 3.78Å; V10-P35 HydrophobicContact CG2-CB 3.36Å; V10-P35 HydrophobicContact CG2-CG 3.98Å; W13-P35 HydrophobicContact CE3-CG 4.25Å; W13-P35 HydrophobicContact CZ3-CG 3.92Å; W16-P35 HydrophobicContact CD2-CB 4.33Å; W16-P35 HydrophobicContact CD2-CG 3.8Å; W16-P35 HydrophobicContact CE3-CG 4.1Å; W16-P35 HydrophobicContact CG-CB 4.29Å; W16-P35 HydrophobicContact CG-CG 4.29Å; W16-P35 HydrophobicContact CH2-CG 4.27Å; W16-P35 HydrophobicContact CZ2-CG 3.98Å; W16-P35 HydrophobicContact CZ3-CG 4.33Å; P35-G37 VanDerWaalsContact C-N 3.28Å; P35-V54 HydrophobicContact CG-CG1 4.19Å; P35-Y61 HydrophobicContact CB-CD1 3.96Å; P35-Y61 HydrophobicContact CB-CE1 4.18Å; P35-Y61 HydrophobicContact CB-CG 4.28Å; P35-Y61 HydrophobicContact CG-CD1 4.05Å; P35-Y61 HydrophobicContact CG-CD2 4.11Å; P35-Y61 HydrophobicContact CG-CE1 4.48Å; P35-Y61 HydrophobicContact CG-CG 3.84Å
36D81.6Confident70.7Confident83 Ų8375.1 Ų75.144%0.44442%0.415SS..THydrogen-bonded Turntrans-81.80173.768.2-18.2000113.8F34 K38 Y61F34-D36 WeakPolarHBondContact CB-OD1 3.13Å; F34-D36 PolarHBondContact O-N 3.28Å; F34-D36 VanDerWaalsContact O-N 3.1Å; D36-K38 VanDerWaalsContact C-N 3.29Å; D36-K38 PolarHBondContact O-N 2.92Å; D36-K38 WeakPolarHBondContact OD1-CB 3.21Å; D36-K38 PolarHBondContact OD1-N 2.97Å; D36-K38 WeakPolarHBondContact OD2-CB 3.24Å; D36-Y61 HydrophobicContact CB-CE1 4.09Å; D36-Y61 WeakPolarHBondContact CB-OH 3.41Å; D36-Y61 PolarHBondContact OD1-OH 3.25Å; D36-Y61 PolarHBondContact OD2-OH 2.97Å
37G79.1Confident70.5Confident48 Ų4878.8 Ų78.850%0.49541%0.413SS..SBendtrans82.6-1-17600000114.4F34 P35F34-G37 PolarHBondContact O-N 3.24Å; P35-G37 VanDerWaalsContact C-N 3.28Å
38K83.1Confident70.2Confident59 Ų5986.5 Ų86.526%0.25744%0.438SS..PPolyproline II helixtrans-71.3137.2177.8178.6-178.5148-140.60110.4V33 F34 D36 E63V33-K38 CarbonylContact C-O 3.58Å; V33-K38 VanDerWaalsContact CA-O 3.27Å; V33-K38 WeakPolarHBondContact CA-O 3.46Å; F34-K38 HydrophobicContact CD2-CB 4.3Å; F34-K38 HydrophobicContact CD2-CD 4.49Å; F34-K38 HydrophobicContact CD2-CG 4.35Å; F34-K38 WeakPolarHBondContact CD2-O 3.39Å; F34-K38 PolarHBondContact N-O 2.89Å; D36-K38 VanDerWaalsContact C-N 3.29Å; D36-K38 PolarHBondContact O-N 2.92Å; D36-K38 WeakPolarHBondContact OD1-CB 3.21Å; D36-K38 PolarHBondContact OD1-N 2.97Å; D36-K38 WeakPolarHBondContact OD2-CB 3.24Å; K38-E63 IonicContact NZ-OE1 3.28Å; K38-E63 PolarHBondContact NZ-OE1 2.56Å; K38-E63 IonicContact NZ-OE2 2.67Å; K38-E63 PolarHBondContact NZ-OE2 2.85Å
39P81.1Confident70.7Confident77 Ų7786.2 Ų86.250%0.543%0.426SS..BIsolated β-bridgetrans-69.3147.6179.328.4-35.1000112.1
40F83.1Confident71.8Confident8 Ų882.5 Ų82.54%0.03541%0.405CS..PPolyproline II helixtrans-57.6146.3171.6-73.2-3000111.8N32 V33 F34 Q42 I52 Y91 Y99N32-F40 HydrophobicContact CB-CB 4.29Å; N32-F40 HydrophobicContact CB-CD2 3.53Å; N32-F40 HydrophobicContact CB-CE2 4.01Å; N32-F40 HydrophobicContact CB-CG 4.03Å; N32-F40 WeakPolarHBondContact O-CB 3.33Å; N32-F40 VanDerWaalsContact O-CG 3.3Å; N32-F40 WeakPolarHBondContact O-CG 3.05Å; N32-F40 PolarHBondContact O-N 2.82Å; V33-F40 WeakPolarHBondContact O-CE1 3.23Å; F34-F40 AromaticContact CD1-CD1 3.93Å; F34-F40 HydrophobicContact CD1-CD1 3.93Å; F34-F40 AromaticContact CD1-CE1 3.6Å; F34-F40 HydrophobicContact CD1-CE1 3.6Å; F34-F40 AromaticContact CD2-CD1 3.76Å; F34-F40 HydrophobicContact CD2-CD1 3.76Å; F34-F40 HydrophobicContact CD2-CE1 4.2Å; F34-F40 AromaticContact CE1-CD1 3.79Å; F34-F40 HydrophobicContact CE1-CD1 3.79Å; F34-F40 AromaticContact CE1-CE1 3.73Å; F34-F40 HydrophobicContact CE1-CE1 3.73Å; F34-F40 AromaticContact CE2-CD1 3.64Å; F34-F40 HydrophobicContact CE2-CD1 3.64Å; F34-F40 HydrophobicContact CE2-CE1 4.32Å; F34-F40 AromaticContact CG-CD1 3.91Å; F34-F40 HydrophobicContact CG-CD1 3.91Å; F34-F40 AromaticContact CG-CE1 3.84Å; F34-F40 HydrophobicContact CG-CE1 3.84Å; F34-F40 AromaticContact CZ-CD1 3.65Å; F34-F40 HydrophobicContact CZ-CD1 3.65Å; F34-F40 HydrophobicContact CZ-CE1 4.09Å; F40-Q42 PolarHBondContact O-N 2.71Å; F40-I52 HydrophobicContact CB-CD1 3.55Å; F40-I52 HydrophobicContact CD1-CD1 4.16Å; F40-I52 HydrophobicContact CD2-CD1 3.47Å; F40-I52 VanDerWaalsContact CD2-CD1 3.47Å; F40-I52 HydrophobicContact CE2-CD1 4.19Å; F40-I52 HydrophobicContact CG-CD1 3.46Å; F40-I52 VanDerWaalsContact CG-CD1 3.46Å; F40-Y91 AromaticContact CE2-CD1 3.7Å; F40-Y91 HydrophobicContact CE2-CD1 3.7Å; F40-Y91 AromaticContact CE2-CD2 3.89Å; F40-Y91 HydrophobicContact CE2-CD2 3.89Å; F40-Y91 HydrophobicContact CE2-CE1 4.03Å; F40-Y91 HydrophobicContact CE2-CE2 4.19Å; F40-Y91 AromaticContact CE2-CG 3.64Å; F40-Y91 HydrophobicContact CE2-CG 3.64Å; F40-Y91 HydrophobicContact CZ-CD1 4.22Å; F40-Y91 AromaticContact CZ-CD2 3.8Å; F40-Y91 HydrophobicContact CZ-CD2 3.8Å; F40-Y91 HydrophobicContact CZ-CE1 4.19Å; F40-Y91 AromaticContact CZ-CE2 3.76Å; F40-Y91 HydrophobicContact CZ-CE2 3.76Å; F40-Y91 HydrophobicContact CZ-CG 4.04Å; F40-Y91 AromaticContact CZ-CZ 3.97Å; F40-Y99 HydrophobicContact CB-CD2 3.91Å; F40-Y99 HydrophobicContact CB-CE2 3.85Å; F40-Y99 AromaticContact CD2-CD2 3.71Å; F40-Y99 HydrophobicContact CD2-CD2 3.71Å; F40-Y99 HydrophobicContact CD2-CE2 4.4Å; F40-Y99 AromaticContact CD2-CG 3.79Å; F40-Y99 HydrophobicContact CD2-CG 3.79Å; F40-Y99 HydrophobicContact CG-CD2 4.33Å
41P78.4Confident72.9Confident46 Ų4679 Ų7930%0.29939%0.389SS..PPolyproline II helixtrans-58.4130.7-175.318.2-29.1000112S43 I52 C65 Y99P41-S43 VanDerWaalsContact C-N 3.31Å; P41-S43 PolarHBondContact O-N 3.16Å; P41-I52 HydrophobicContact CG-CD1 4.22Å; P41-C65 WeakPolarHBondContact CG-SG 3.37Å; P41-Y99 PolarHBondContact O-OH 2.89Å
42Q69.8Low74Confident126 Ų12677.6 Ų77.659%0.58938%0.38SS*.  trans-9110.4-177-58.5-174.22.500113.2F40 N44F40-Q42 PolarHBondContact O-N 2.71Å; Q42-N44 PolarHBondContact O-N 2.66Å
43S64.1Low74.6Confident58 Ų5877.2 Ų77.241%0.40638%0.376SS..  trans-54.9138.3-175.9171.90000111.9P41 D45 K93P41-S43 VanDerWaalsContact C-N 3.31Å; P41-S43 PolarHBondContact O-N 3.16Å; S43-D45 PolarHBondContact O-N 2.91Å; S43-D45 PolarHBondContact OG-N 2.79Å; S43-D45 PolarHBondContact OG-OD2 2.87Å; S43-K93 PolarHBondContact O-NZ 2.95Å
44N55.1Low75.1Confident100 Ų10076.1 Ų76.154%0.53537%0.369SS..  trans-82.97.1-179.5-135.228.3000112.8Q42 W46Q42-N44 PolarHBondContact O-N 2.66Å; N44-W46 PolarHBondContact O-N 3.34Å
45D59.9Low75.5Confident105 Ų10577.8 Ų77.856%0.56138%0.376SS*.  trans-72.170.1179.5-68.5-36.4000112S43 R47S43-D45 PolarHBondContact O-N 2.91Å; S43-D45 PolarHBondContact OG-N 2.79Å; S43-D45 PolarHBondContact OG-OD2 2.87Å; D45-R47 PolarHBondContact O-N 3.16Å; D45-R47 VanDerWaalsContact O-N 3.11Å
46W52.3Low75.9Confident217 Ų21777.7 Ų77.782%0.82237%0.373SS*.THydrogen-bonded Turntrans-60-20.5-179.8127-72.8000113N44N44-W46 PolarHBondContact O-N 3.34Å
47R54.9Low76.3Confident217 Ų21773.8 Ų73.882%0.81935%0.352SS*.THydrogen-bonded Turntrans-88.1-14.2-169.8-62-162.6-179.8-171.5-0.6115.8D45D45-R47 PolarHBondContact O-N 3.16Å; D45-R47 VanDerWaalsContact O-N 3.11Å
48R57.1Low76.5Confident213 Ų21375.8 Ų75.880%0.80435%0.35SS*.THydrogen-bonded Turntrans-138.7-17.4-168.8-64.8-170.2-178-165.51.1117.4
49K67.2Low76.5Confident101 Ų10174.3 Ų74.344%0.43935%0.351SS..  trans-136.379.8-173.7-64.5178.5169.4-133.20111C65 D66K49-C65 HydrophobicContact CD-CB 4.5Å; K49-C65 WeakPolarHBondContact CD-O 3.33Å; K49-C65 WeakPolarHBondContact CE-O 3.05Å; K49-C65 WeakPolarHBondContact CG-O 3.39Å; K49-C65 PolarHBondContact NZ-O 2.99Å; K49-D66 WeakPolarHBondContact CA-O 3.38Å
50S80.9Confident76.8Confident44 Ų4473 Ų7331%0.30834%0.338SS..  trans-92.5-6.1-177.6550000113.6D66 K93S50-D66 PolarHBondContact N-O 2.93Å; S50-K93 WeakPolarHBondContact O-CB 3.49Å; S50-K93 PolarHBondContact O-N 2.92Å
51Y87.8Confident77.1Confident47 Ų4772.7 Ų72.718%0.18434%0.337CS..EExtended strand (participates in β ladder)trans-127.3145.2-177.1-57.8-85.1000111.8C65 D66 G67 V90 Y91 R92 L102Y51-C65 WeakPolarHBondContact O-CA 3.36Å; Y51-D66 PolarHBondContact N-O 3.44Å; Y51-D66 PolarHBondContact O-N 3.26Å; Y51-G67 VanDerWaalsContact CD2-C 3.48Å; Y51-G67 WeakPolarHBondContact CD2-O 3.27Å; Y51-V90 HydrophobicContact CD1-CG1 4.08Å; Y51-Y91 CarbonylContact C-O 3.57Å; Y51-Y91 WeakPolarHBondContact CA-O 3.14Å; Y51-R92 HydrophobicContact CD1-CB 3.99Å; Y51-R92 HydrophobicContact CD1-CG 4.18Å; Y51-R92 HydrophobicContact CE1-CB 3.83Å; Y51-R92 HydrophobicContact CE1-CG 3.67Å; Y51-L102 HydrophobicContact CD1-CD2 4.17Å; Y51-L102 HydrophobicContact CE1-CD2 3.73Å
52I89.2Confident77.7Confident2 Ų271.4 Ų71.41%0.0133%0.326CS..EExtended strand (participates in β ladder)trans-113.8128.5167.9-63.7172.4000106.5F34 F40 P41 V54 T64 V90 Y91 Y99F34-I52 HydrophobicContact CE1-CG2 3.7Å; F34-I52 HydrophobicContact CZ-CG2 4.03Å; F40-I52 HydrophobicContact CB-CD1 3.55Å; F40-I52 HydrophobicContact CD1-CD1 4.16Å; F40-I52 HydrophobicContact CD2-CD1 3.47Å; F40-I52 VanDerWaalsContact CD2-CD1 3.47Å; F40-I52 HydrophobicContact CE2-CD1 4.19Å; F40-I52 HydrophobicContact CG-CD1 3.46Å; F40-I52 VanDerWaalsContact CG-CD1 3.46Å; P41-I52 HydrophobicContact CG-CD1 4.22Å; I52-V54 HydrophobicContact CG2-CG2 4.15Å; I52-T64 WeakPolarHBondContact CA-O 3.45Å; I52-V90 CarbonylContact O-C 3.56Å; I52-V90 WeakPolarHBondContact O-CA 3.14Å; I52-Y91 PolarHBondContact N-O 2.92Å; I52-Y91 PolarHBondContact O-N 2.74Å; I52-Y99 HydrophobicContact CD1-CD1 3.62Å; I52-Y99 HydrophobicContact CD1-CD2 4.13Å; I52-Y99 HydrophobicContact CD1-CE1 3.36Å; I52-Y99 HydrophobicContact CD1-CE2 3.88Å; I52-Y99 HydrophobicContact CD1-CG 4.01Å; I52-Y99 HydrophobicContact CG1-CD1 4.09Å; I52-Y99 HydrophobicContact CG1-CE1 3.72Å
53Y91.5Very high78.7Confident22 Ų2266.3 Ų66.39%0.08630%0.302CS..EExtended strand (participates in β ladder)trans-109.9127.2173.3-53.5-107.6000107.4W55 T64 D66 G67 V88 M89 V90Y53-W55 HydrophobicContact CD1-CZ2 4.16Å; Y53-W55 HydrophobicContact CG-CZ2 4.26Å; Y53-T64 WeakPolarHBondContact CB-OG1 3.48Å; Y53-T64 PolarHBondContact N-O 3.12Å; Y53-T64 PolarHBondContact O-N 3.25Å; Y53-D66 HydrophobicContact CE2-CB 4.25Å; Y53-G67 PolarHBondContact OH-O 3.22Å; Y53-V88 HydrophobicContact CD1-CG2 4.24Å; Y53-M89 WeakPolarHBondContact CA-O 3.35Å; Y53-V90 HydrophobicContact CD1-CB 4.46Å; Y53-V90 HydrophobicContact CD1-CG1 4.15Å; Y53-V90 HydrophobicContact CD1-CG2 3.64Å; Y53-V90 HydrophobicContact CE1-CG1 3.94Å; Y53-V90 HydrophobicContact CE1-CG2 3.87Å
54V92.2Very high79.9Confident0 Ų064.2 Ų64.20%029%0.287CS..EExtended strand (participates in β ladder)trans-110.5101.7173.6-1740000106.2W13 W16 F34 P35 I52 Y61 V88 M89 Y91W13-V54 HydrophobicContact CH2-CG1 3.95Å; W13-V54 HydrophobicContact CZ3-CG1 3.88Å; W16-V54 HydrophobicContact CH2-CB 4.28Å; W16-V54 HydrophobicContact CH2-CG1 4.01Å; W16-V54 HydrophobicContact CH2-CG2 4.17Å; W16-V54 HydrophobicContact CZ3-CG1 4.34Å; F34-V54 HydrophobicContact CD1-CG2 4.03Å; F34-V54 HydrophobicContact CE1-CG2 4.09Å; P35-V54 HydrophobicContact CG-CG1 4.19Å; I52-V54 HydrophobicContact CG2-CG2 4.15Å; V54-Y61 HydrophobicContact CG1-CD2 4.08Å; V54-V88 WeakPolarHBondContact O-CA 3.36Å; V54-M89 HydrophobicContact CB-CB 4.4Å; V54-M89 PolarHBondContact N-O 2.04Å; V54-M89 PolarHBondContact O-N 3.12Å; V54-Y91 HydrophobicContact CG2-CD2 4.34Å; V54-Y91 HydrophobicContact CG2-CE2 4.11Å
55W93.4Very high81.4Confident36 Ų3660.8 Ų60.814%0.13627%0.27CS..EExtended strand (participates in β ladder)trans-87.2142.7176.7-46.985.6000108.7Y53 Y61 Y62 T64 V72 M86 E87 V88Y53-W55 HydrophobicContact CD1-CZ2 4.16Å; Y53-W55 HydrophobicContact CG-CZ2 4.26Å; W55-Y61 CarbonylContact O-C 3.59Å; W55-Y61 WeakPolarHBondContact O-CA 3.43Å; W55-Y61 WeakPolarHBondContact O-CB 3.37Å; W55-Y62 PolarHBondContact N-O 2.98Å; W55-Y62 PolarHBondContact O-N 2.9Å; W55-T64 PolarHBondContact NE1-OG1 3.01Å; W55-V72 HydrophobicContact CB-CG1 4.35Å; W55-V72 HydrophobicContact CD2-CB 4.27Å; W55-V72 HydrophobicContact CD2-CG1 3.66Å; W55-V72 HydrophobicContact CE3-CG1 3.95Å; W55-V72 HydrophobicContact CG-CB 4.23Å; W55-V72 HydrophobicContact CG-CG1 3.83Å; W55-M86 HydrophobicContact CB-SD 4.03Å; W55-M86 HydrophobicContact CE3-CG 4.49Å; W55-M86 HydrophobicContact CE3-SD 4.43Å; W55-E87 CarbonylContact C-O 3.58Å; W55-E87 WeakPolarHBondContact CA-O 3.5Å; W55-V88 HydrophobicContact CD2-CB 4.34Å; W55-V88 HydrophobicContact CD2-CG2 3.82Å; W55-V88 HydrophobicContact CE3-CB 3.7Å; W55-V88 HydrophobicContact CE3-CG2 3.61Å; W55-V88 HydrophobicContact CG-CG2 4.49Å; W55-V88 HydrophobicContact CH2-CG2 4.1Å; W55-V88 HydrophobicContact CZ2-CG2 4.29Å; W55-V88 HydrophobicContact CZ3-CB 3.89Å; W55-V88 HydrophobicContact CZ3-CG1 4.35Å; W55-V88 HydrophobicContact CZ3-CG2 3.75Å
56H91.2Very high82.6Confident22 Ų2258.1 Ų58.110%0.10226%0.256CS..EExtended strand (participates in β ladder)trans-140131.8180169.7-106.9000111W13 Q60 E87W13-H56 AromaticContact CD1-CE1 3.43Å; W13-H56 VanDerWaalsContact CD1-CE1 3.43Å; W13-H56 AromaticContact CD1-ND1 3.32Å; W13-H56 VanDerWaalsContact CD1-ND1 3.32Å; W13-H56 HydrophobicContact CD2-CB 3.79Å; W13-H56 AromaticContact CD2-CD2 3.75Å; W13-H56 AromaticContact CD2-CE1 3.87Å; W13-H56 AromaticContact CD2-CG 3.38Å; W13-H56 AromaticContact CD2-ND1 3.48Å; W13-H56 AromaticContact CE2-CG 3.48Å; W13-H56 VanDerWaalsContact CE2-CG 3.48Å; W13-H56 AromaticContact CE2-ND1 3.4Å; W13-H56 HydrophobicContact CE3-CB 3.8Å; W13-H56 AromaticContact CE3-CD2 3.82Å; W13-H56 AromaticContact CE3-CG 3.68Å; W13-H56 AromaticContact CG-CD2 3.95Å; W13-H56 AromaticContact CG-CE1 3.4Å; W13-H56 AromaticContact CG-CG 3.8Å; W13-H56 AromaticContact CG-ND1 3.45Å; W13-H56 AromaticContact CG-NE2 3.74Å; W13-H56 HydrophobicContact CH2-CB 3.42Å; W13-H56 VanDerWaalsContact CH2-CB 3.42Å; W13-H56 HydrophobicContact CZ2-CB 3.38Å; W13-H56 AromaticContact CZ2-CG 3.89Å; W13-H56 HydrophobicContact CZ3-CB 3.63Å; W13-H56 AromaticContact NE1-CE1 3.85Å; W13-H56 AromaticContact NE1-CG 3.83Å; W13-H56 AromaticContact NE1-ND1 3.23Å; W13-H56 PolarHBondContact NE1-ND1 3.18Å; H56-Q60 WeakPolarHBondContact CA-O 2.83Å; H56-Q60 PolarHBondContact CD2-O 3.26Å; H56-Q60 VanDerWaalsContact CD2-O 3.3Å; H56-E87 HydrophobicContact CB-CB 4.49Å; H56-E87 PolarHBondContact N-O 2.9Å; H56-E87 IonicContact ND1-OE2 3.88Å; H56-E87 PolarHBondContact O-N 2.85Å
57T90.4Very high84.2Confident1 Ų149 Ų491%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-156.3147.5170.5-170.10000109.3G59 Q60 Y62 I74 V85 M86 F109T57-G59 PolarHBondContact O-N 3.26Å; T57-G59 VanDerWaalsContact O-N 3.09Å; T57-Q60 PolarHBondContact N-O 3Å; T57-Q60 WeakPolarHBondContact O-CA 3.43Å; T57-Q60 PolarHBondContact O-N 2.87Å; T57-Y62 HydrophobicContact CG2-CE2 4.22Å; T57-I74 HydrophobicContact CG2-CD1 4.16Å; T57-V85 VanDerWaalsContact CB-O 3.29Å; T57-V85 WeakPolarHBondContact CB-O 3.32Å; T57-V85 PolarHBondContact OG1-O 3.35Å; T57-M86 HydrophobicContact CG2-CE 3.47Å; T57-M86 VanDerWaalsContact CG2-CE 3.47Å; T57-M86 HydrophobicContact CG2-SD 4.45Å; T57-F109 HydrophobicContact CG2-CZ 4.46Å; T57-F109 WeakPolarHBondContact OG1-CE1 3.3Å
58M83.6Confident85.7Confident91 Ų9144 Ų4445%0.44823%0.228SC..THydrogen-bonded Turntrans52.935.1173.1-65.7-7290.300115.3Q60 E84M58-Q60 PolarHBondContact O-N 3.07Å; M58-E84 HydrophobicContact CE-CG 4.37Å; M58-E84 WeakPolarHBondContact CE-OE2 3.42Å; M58-E84 HydrophobicContact CG-CG 4.43Å; M58-E84 HydrophobicContact SD-CG 4.2Å; M58-E84 VanDerWaalsContact SD-OE1 3.35Å
59G82.6Confident87.2Confident27 Ų2738.4 Ų38.428%0.27822%0.221SC..THydrogen-bonded Turntrans67.215.2-178.100000113.5Y9 V10 T57Y9-G59 CarbonylContact C-O 3.58Å; Y9-G59 WeakPolarHBondContact CA-O 3.05Å; V10-G59 PolarHBondContact N-O 2.89Å; T57-G59 PolarHBondContact O-N 3.26Å; T57-G59 VanDerWaalsContact O-N 3.09Å
60Q87.6Confident88.4Confident49 Ų4934.6 Ų34.623%0.22921%0.208CC..EExtended strand (participates in β ladder)trans-116141.2171.5-68.1-178.2-11.100109.3G8 Y9 H56 T57 M58 Y62G8-Q60 CarbonylContact O-C 3.51Å; G8-Q60 WeakPolarHBondContact O-CA 3.35Å; Y9-Q60 HydrophobicContact CD1-CG 3.71Å; Y9-Q60 HydrophobicContact CE1-CG 3.65Å; Y9-Q60 HydrophobicContact CG-CG 4.45Å; Y9-Q60 VanDerWaalsContact CZ-NE2 3.26Å; Y9-Q60 PolarHBondContact OH-NE2 3.35Å; Y9-Q60 VanDerWaalsContact OH-NE2 3.11Å; H56-Q60 WeakPolarHBondContact CA-O 2.83Å; H56-Q60 PolarHBondContact CD2-O 3.26Å; H56-Q60 VanDerWaalsContact CD2-O 3.3Å; T57-Q60 PolarHBondContact N-O 3Å; T57-Q60 WeakPolarHBondContact O-CA 3.43Å; T57-Q60 PolarHBondContact O-N 2.87Å; M58-Q60 PolarHBondContact O-N 3.07Å; Q60-Y62 HydrophobicContact CB-CE2 4.16Å; Q60-Y62 PolarHBondContact OE1-OH 2.81Å
61Y90.8Very high88.8Confident3 Ų337 Ų371%0.01223%0.225CC..EExtended strand (participates in β ladder)trans-112.6154.5170.583.9-79.5000111.2S7 G8 V10 F34 P35 D36 V54 W55S7-Y61 WeakPolarHBondContact CA-O 3.12Å; S7-Y61 WeakPolarHBondContact CB-O 3.45Å; G8-Y61 VanDerWaalsContact CA-CE1 3.5Å; G8-Y61 PolarHBondContact N-O 2.83Å; G8-Y61 WeakPolarHBondContact O-CD1 3.37Å; G8-Y61 PolarHBondContact O-N 2.87Å; V10-Y61 HydrophobicContact CG2-CD1 3.32Å; V10-Y61 HydrophobicContact CG2-CE1 4.24Å; V10-Y61 HydrophobicContact CG2-CG 3.94Å; F34-Y61 HydrophobicContact CB-CE2 3.99Å; F34-Y61 HydrophobicContact CD1-CE2 4.18Å; F34-Y61 HydrophobicContact CG-CE2 4.3Å; P35-Y61 HydrophobicContact CB-CD1 3.96Å; P35-Y61 HydrophobicContact CB-CE1 4.18Å; P35-Y61 HydrophobicContact CB-CG 4.28Å; P35-Y61 HydrophobicContact CG-CD1 4.05Å; P35-Y61 HydrophobicContact CG-CD2 4.11Å; P35-Y61 HydrophobicContact CG-CE1 4.48Å; P35-Y61 HydrophobicContact CG-CG 3.84Å; D36-Y61 HydrophobicContact CB-CE1 4.09Å; D36-Y61 WeakPolarHBondContact CB-OH 3.41Å; D36-Y61 PolarHBondContact OD1-OH 3.25Å; D36-Y61 PolarHBondContact OD2-OH 2.97Å; V54-Y61 HydrophobicContact CG1-CD2 4.08Å; W55-Y61 CarbonylContact O-C 3.59Å; W55-Y61 WeakPolarHBondContact O-CA 3.43Å; W55-Y61 WeakPolarHBondContact O-CB 3.37Å
62Y91.3Very high88.9Confident18 Ų1836.4 Ų36.47%0.07123%0.226CC..EExtended strand (participates in β ladder)trans-129.7137176.4-55.5-94000109.1L5 R6 W55 T57 Q60 V72 I74L5-Y62 HydrophobicContact CD2-CD1 3.45Å; L5-Y62 VanDerWaalsContact CD2-CD1 3.45Å; L5-Y62 HydrophobicContact CD2-CE1 3.95Å; L5-Y62 HydrophobicContact CD2-CG 4.37Å; L5-Y62 HydrophobicContact CG-CD1 3.99Å; R6-Y62 WeakPolarHBondContact O-CA 3.45Å; W55-Y62 PolarHBondContact N-O 2.98Å; W55-Y62 PolarHBondContact O-N 2.9Å; T57-Y62 HydrophobicContact CG2-CE2 4.22Å; Q60-Y62 HydrophobicContact CB-CE2 4.16Å; Q60-Y62 PolarHBondContact OE1-OH 2.81Å; Y62-V72 HydrophobicContact CG-CG2 4.24Å; Y62-I74 HydrophobicContact CD2-CD1 4.06Å; Y62-I74 HydrophobicContact CD2-CG1 4.47Å; Y62-I74 HydrophobicContact CE1-CG1 4.47Å; Y62-I74 HydrophobicContact CE2-CD1 3.84Å; Y62-I74 HydrophobicContact CE2-CG1 4.21Å; Y62-I74 HydrophobicContact CE2-CG2 4.4Å
63E90.4Very high88.9Confident19 Ų1942.2 Ų42.29%0.08926%0.262CS..EExtended strand (participates in β ladder)trans-107.5133178.562.1179.2-132.600111.6R6 F34 K38R6-E63 HydrophobicContact CB-CG 3.61Å; R6-E63 WeakPolarHBondContact CD-OE1 3.22Å; R6-E63 IonicContact NH1-OE1 3.43Å; R6-E63 PolarHBondContact O-N 2.91Å; R6-E63 VanDerWaalsContact O-N 3.14Å; F34-E63 HydrophobicContact CD1-CB 4.03Å; F34-E63 WeakPolarHBondContact CD2-OE2 3.47Å; F34-E63 HydrophobicContact CE1-CB 3.46Å; F34-E63 VanDerWaalsContact CE1-CB 3.46Å; F34-E63 HydrophobicContact CE1-CG 4.35Å; F34-E63 VanDerWaalsContact CE2-OE2 3.24Å; F34-E63 WeakPolarHBondContact CE2-OE2 3.48Å; F34-E63 HydrophobicContact CZ-CB 3.86Å; F34-E63 HydrophobicContact CZ-CG 4.36Å; F34-E63 WeakPolarHBondContact CZ-OE2 3.18Å; K38-E63 IonicContact NZ-OE1 3.28Å; K38-E63 PolarHBondContact NZ-OE1 2.56Å; K38-E63 IonicContact NZ-OE2 2.67Å; K38-E63 PolarHBondContact NZ-OE2 2.85Å
64T89.5Confident88.7Confident14 Ų1442.9 Ų42.99%0.08627%0.266CS..EExtended strand (participates in β ladder)trans-129.8148.1166.761.80000110.8L5 I52 Y53 W55 S70L5-T64 HydrophobicContact CD1-CG2 4.05Å; I52-T64 WeakPolarHBondContact CA-O 3.45Å; Y53-T64 WeakPolarHBondContact CB-OG1 3.48Å; Y53-T64 PolarHBondContact N-O 3.12Å; Y53-T64 PolarHBondContact O-N 3.25Å; W55-T64 PolarHBondContact NE1-OG1 3.01Å; T64-S70 WeakPolarHBondContact CB-OG 3.43Å; T64-S70 PolarHBondContact OG1-OG 2.85Å
65C86.1Confident88.4Confident28 Ų2848.9 Ų48.919%0.18930%0.298CS..EExtended strand (participates in β ladder)trans-130.595.7-177.9-650000108.4P41 K49 Y51P41-C65 WeakPolarHBondContact CG-SG 3.37Å; K49-C65 HydrophobicContact CD-CB 4.5Å; K49-C65 WeakPolarHBondContact CD-O 3.33Å; K49-C65 WeakPolarHBondContact CE-O 3.05Å; K49-C65 WeakPolarHBondContact CG-O 3.39Å; K49-C65 PolarHBondContact NZ-O 2.99Å; Y51-C65 WeakPolarHBondContact O-CA 3.36Å
66D84.1Confident88Confident49 Ų4950.4 Ų50.426%0.26231%0.312SS..EExtended strand (participates in β ladder)trans-136.6-172.9-167.1-67-39.5000111.7K49 S50 Y51 Y53 S69 S70K49-D66 WeakPolarHBondContact CA-O 3.38Å; S50-D66 PolarHBondContact N-O 2.93Å; Y51-D66 PolarHBondContact N-O 3.44Å; Y51-D66 PolarHBondContact O-N 3.26Å; Y53-D66 HydrophobicContact CE2-CB 4.25Å; D66-S69 WeakPolarHBondContact CB-O 3.38Å; D66-S70 WeakPolarHBondContact OD2-CB 3.41Å; D66-S70 PolarHBondContact OD2-OG 3.21Å
67G85.8Confident87.6Confident26 Ų2654.7 Ų54.727%0.26834%0.34SS..SBendtrans-83.7-144.5176.300000112.1Y51 Y53 S69Y51-G67 VanDerWaalsContact CD2-C 3.48Å; Y51-G67 WeakPolarHBondContact CD2-O 3.27Å; Y53-G67 PolarHBondContact OH-O 3.22Å; G67-S69 PolarHBondContact O-N 2.87Å; G67-S69 VanDerWaalsContact O-N 3.14Å
68S86.6Confident87.3Confident112 Ų11262.1 Ų62.178%0.78338%0.379SS*.SBendtrans-68.2-4.1178.253.40000114.8
69S90.1Very high87.3Confident95 Ų9559.1 Ų59.166%0.66437%0.365SS*.  trans-141143.4175.1178.90000109.1D66 G67D66-S69 WeakPolarHBondContact CB-O 3.38Å; G67-S69 PolarHBondContact O-N 2.87Å; G67-S69 VanDerWaalsContact O-N 3.14Å
70S91.4Very high87.6Confident21 Ų2161.6 Ų61.615%0.14738%0.376CS..  trans-146.8154.7177-171.40000109.9T64 D66T64-S70 WeakPolarHBondContact CB-OG 3.43Å; T64-S70 PolarHBondContact OG1-OG 2.85Å; D66-S70 WeakPolarHBondContact OD2-CB 3.41Å; D66-S70 PolarHBondContact OD2-OG 3.21Å
71S90.3Very high87.8Confident95 Ų9564.5 Ų64.566%0.66439%0.392SS*.  trans-141.6153.9175.859.70000110.3
72V89.8Confident87.8Confident35 Ų3565.6 Ų65.621%0.21241%0.405CS..  trans-128.3137.2176.4620000109.8L5 W55 Y62 I74L5-V72 HydrophobicContact CD1-CG2 3.65Å; L5-V72 HydrophobicContact CD2-CG2 3.83Å; L5-V72 HydrophobicContact CG-CG2 4.35Å; W55-V72 HydrophobicContact CB-CG1 4.35Å; W55-V72 HydrophobicContact CD2-CB 4.27Å; W55-V72 HydrophobicContact CD2-CG1 3.66Å; W55-V72 HydrophobicContact CE3-CG1 3.95Å; W55-V72 HydrophobicContact CG-CB 4.23Å; W55-V72 HydrophobicContact CG-CG1 3.83Å; Y62-V72 HydrophobicContact CG-CG2 4.24Å; V72-I74 HydrophobicContact CG1-CD1 4.28Å; V72-I74 HydrophobicContact CG1-CG1 4.42Å; V72-I74 HydrophobicContact CG2-CD1 4.35Å; V72-I74 HydrophobicContact CG2-CG1 3.85Å
73T88.8Confident87.7Confident124 Ų12467 Ų6776%0.76142%0.424SS*.  trans-110119.3173.3-54.40000108.2L5L5-T73 WeakPolarHBondContact CD2-O 3.36Å
74I86.4Confident87.7Confident36 Ų3667.8 Ų67.819%0.18543%0.428CS..  trans-113.4135.1-175.1-56.7175.1000108.7T57 Y62 V72 I79 M86T57-I74 HydrophobicContact CG2-CD1 4.16Å; Y62-I74 HydrophobicContact CD2-CD1 4.06Å; Y62-I74 HydrophobicContact CD2-CG1 4.47Å; Y62-I74 HydrophobicContact CE1-CG1 4.47Å; Y62-I74 HydrophobicContact CE2-CD1 3.84Å; Y62-I74 HydrophobicContact CE2-CG1 4.21Å; Y62-I74 HydrophobicContact CE2-CG2 4.4Å; V72-I74 HydrophobicContact CG1-CD1 4.28Å; V72-I74 HydrophobicContact CG1-CG1 4.42Å; V72-I74 HydrophobicContact CG2-CD1 4.35Å; V72-I74 HydrophobicContact CG2-CG1 3.85Å; I74-I79 HydrophobicContact CG2-CD1 4.36Å; I74-M86 HydrophobicContact CD1-CE 3.25Å
75N86.2Confident87.8Confident125 Ų12570.1 Ų70.167%0.66844%0.442SS*.  trans-79.4121173.6-174.1-14.2000109.6T77N75-T77 WeakPolarHBondContact OD1-CB 3.37Å; N75-T77 PolarHBondContact OD1-N 3.37Å; N75-T77 PolarHBondContact OD1-OG1 2.95Å
76T85.1Confident88.1Confident68 Ų6870 Ų7042%0.41744%0.439SS..  trans-97.13.4-175.757.80000114.2N78 I79T76-N78 PolarHBondContact O-N 3.07Å; T76-I79 HydrophobicContact CG2-CD1 4.14Å; T76-I79 PolarHBondContact O-N 3.32Å
77T82.9Confident88.5Confident113 Ų11370 Ų7069%0.69344%0.438SS*.THydrogen-bonded Turntrans-53.3-34.4-174-61.20000114.4N75N75-T77 WeakPolarHBondContact OD1-CB 3.37Å; N75-T77 PolarHBondContact OD1-N 3.37Å; N75-T77 PolarHBondContact OD1-OG1 2.95Å
78N83.6Confident88.9Confident156 Ų15669.9 Ų69.983%0.83443%0.432SS*.THydrogen-bonded Turntrans-106.910.3-178.2-62.4-29.6000113.1T76T76-N78 PolarHBondContact O-N 3.07Å
79I84.8Confident89Confident29 Ų2964.6 Ų64.615%0.14940%0.395CS..SBendtrans-92.1131.7179.6-55.8-175.7000107.9I74 T76 E84 V111I74-I79 HydrophobicContact CG2-CD1 4.36Å; T76-I79 HydrophobicContact CG2-CD1 4.14Å; T76-I79 PolarHBondContact O-N 3.32Å; I79-E84 HydrophobicContact CG2-CG 4.38Å; I79-V111 HydrophobicContact CG2-CG2 3.88Å
80P88.3Confident89.1Confident78 Ų7860.7 Ų60.751%0.50637%0.367SS..PPolyproline II helixtrans-60.7154.5177.526.6-35.1000111.5
81L91.2Very high88.9Confident111 Ų11159.9 Ų59.958%0.58136%0.36SS*.SBendtrans-68.3132.9171.9-58-180000109.2V111 D113L81-V111 WeakPolarHBondContact CA-O 3.37Å; L81-V111 HydrophobicContact CD2-CG1 4.22Å; L81-D113 HydrophobicContact CD1-CB 3.95Å; L81-D113 HydrophobicContact CD2-CB 4.15Å
82G90.5Very high88.7Confident26 Ų2661.2 Ų61.227%0.26835%0.351SS..EExtended strand (participates in β ladder)trans149.7174.2-175.800000113.4V111G82-V111 PolarHBondContact N-O 3.28Å; G82-V111 PolarHBondContact O-N 2.92Å
83G90.6Very high88.3Confident47 Ų4761.4 Ų61.449%0.48535%0.349SS..EExtended strand (participates in β ladder)trans-81.8129.317200000109.6F109G83-F109 CarbonylContact C-O 3.59Å; G83-F109 WeakPolarHBondContact CA-O 3.43Å
84E90Very high87.7Confident35 Ų3564.2 Ų64.216%0.16435%0.345CS..EExtended strand (participates in β ladder)trans-126.5148178.7-66.6-59.5177.900111.8M58 I79 V108 F109M58-E84 HydrophobicContact CE-CG 4.37Å; M58-E84 WeakPolarHBondContact CE-OE2 3.42Å; M58-E84 HydrophobicContact CG-CG 4.43Å; M58-E84 HydrophobicContact SD-CG 4.2Å; M58-E84 VanDerWaalsContact SD-OE1 3.35Å; I79-E84 HydrophobicContact CG2-CG 4.38Å; E84-V108 CarbonylContact O-C 3.56Å; E84-V108 VanDerWaalsContact O-CA 3.27Å; E84-V108 WeakPolarHBondContact O-CA 3.36Å; E84-F109 HydrophobicContact CB-CD1 4.26Å; E84-F109 HydrophobicContact CB-CE1 3.67Å; E84-F109 HydrophobicContact CB-CE2 3.97Å; E84-F109 HydrophobicContact CB-CZ 3.51Å; E84-F109 HydrophobicContact CG-CZ 4.36Å; E84-F109 PolarHBondContact N-O 3.33Å; E84-F109 VanDerWaalsContact O-CD1 3.23Å; E84-F109 WeakPolarHBondContact O-CD1 3.38Å; E84-F109 PolarHBondContact O-N 3.21Å
85V91.3Very high86.9Confident64 Ų6468.6 Ų68.639%0.38837%0.365SS..EExtended strand (participates in β ladder)trans-88.4130179.7-174.30000109.6T57 E87 N106 T107 V108T57-V85 VanDerWaalsContact CB-O 3.29Å; T57-V85 WeakPolarHBondContact CB-O 3.32Å; T57-V85 PolarHBondContact OG1-O 3.35Å; V85-E87 HydrophobicContact CG1-CG 3.7Å; V85-N106 HydrophobicContact CG1-CB 4.16Å; V85-T107 WeakPolarHBondContact CA-O 3.42Å; V85-V108 HydrophobicContact CG2-CG2 4.31Å
86M92.6Very high85.9Confident24 Ų2470.6 Ų70.612%0.11836%0.363CS..EExtended strand (participates in β ladder)trans-106.4121.2165.1-179.858.862.100108.5W55 T57 I74 N106 T107 F109W55-M86 HydrophobicContact CB-SD 4.03Å; W55-M86 HydrophobicContact CE3-CG 4.49Å; W55-M86 HydrophobicContact CE3-SD 4.43Å; T57-M86 HydrophobicContact CG2-CE 3.47Å; T57-M86 VanDerWaalsContact CG2-CE 3.47Å; T57-M86 HydrophobicContact CG2-SD 4.45Å; I74-M86 HydrophobicContact CD1-CE 3.25Å; M86-N106 CarbonylContact O-C 3.57Å; M86-N106 VanDerWaalsContact O-CA 3.27Å; M86-N106 WeakPolarHBondContact O-CA 3.4Å; M86-T107 HydrophobicContact CB-CG2 4.24Å; M86-T107 PolarHBondContact N-O 2.92Å; M86-T107 PolarHBondContact O-N 2.88Å; M86-F109 HydrophobicContact CB-CD1 3.85Å; M86-F109 HydrophobicContact CB-CE1 4.05Å; M86-F109 HydrophobicContact CE-CE1 4.02Å
87E92.8Very high84.9Confident50 Ų5075 Ų7523%0.23437%0.372CS..EExtended strand (participates in β ladder)trans-111.5142175.3-50.4-164123.200109.3W13 W55 H56 V85 D105 N106W13-E87 VanDerWaalsContact CD1-OE2 3.31Å; W13-E87 HydrophobicContact CZ2-CB 4.3Å; W13-E87 PolarHBondContact NE1-OE2 3.2Å; W55-E87 CarbonylContact C-O 3.58Å; W55-E87 WeakPolarHBondContact CA-O 3.5Å; H56-E87 HydrophobicContact CB-CB 4.49Å; H56-E87 PolarHBondContact N-O 2.9Å; H56-E87 IonicContact ND1-OE2 3.88Å; H56-E87 PolarHBondContact O-N 2.85Å; V85-E87 HydrophobicContact CG1-CG 3.7Å; E87-D105 WeakPolarHBondContact CA-O 3.3Å; E87-N106 HydrophobicContact CB-CB 4.17Å; E87-N106 HydrophobicContact CG-CB 3.69Å; E87-N106 PolarHBondContact OE1-ND2 2.9Å
88V92.9Very high84.5Confident24 Ų2475.1 Ų75.115%0.14536%0.363CS..EExtended strand (participates in β ladder)trans-129.3130.4176.565.20000110Y53 V54 W55 V90 S104 D105Y53-V88 HydrophobicContact CD1-CG2 4.24Å; V54-V88 WeakPolarHBondContact O-CA 3.36Å; W55-V88 HydrophobicContact CD2-CB 4.34Å; W55-V88 HydrophobicContact CD2-CG2 3.82Å; W55-V88 HydrophobicContact CE3-CB 3.7Å; W55-V88 HydrophobicContact CE3-CG2 3.61Å; W55-V88 HydrophobicContact CG-CG2 4.49Å; W55-V88 HydrophobicContact CH2-CG2 4.1Å; W55-V88 HydrophobicContact CZ2-CG2 4.29Å; W55-V88 HydrophobicContact CZ3-CB 3.89Å; W55-V88 HydrophobicContact CZ3-CG1 4.35Å; W55-V88 HydrophobicContact CZ3-CG2 3.75Å; V88-V90 HydrophobicContact CG2-CG2 4.23Å; V88-S104 CarbonylContact O-C 3.6Å; V88-S104 WeakPolarHBondContact O-CA 3.35Å; V88-D105 HydrophobicContact CG1-CB 4.23Å; V88-D105 PolarHBondContact N-O 2.83Å; V88-D105 PolarHBondContact O-N 2.93Å
89M90.4Very high84.3Confident1 Ų168.7 Ų68.71%0.00533%0.328CS..EExtended strand (participates in β ladder)trans-111.5128170.118060.976.600109.3L17 F22 Y53 V54 Y91L17-M89 HydrophobicContact CD2-CB 4.45Å; L17-M89 HydrophobicContact CD2-CE 3.13Å; F22-M89 HydrophobicContact CD2-CE 4.27Å; F22-M89 HydrophobicContact CE2-CE 3.76Å; F22-M89 HydrophobicContact CE2-SD 4.45Å; F22-M89 HydrophobicContact CZ-CE 4.37Å; Y53-M89 WeakPolarHBondContact CA-O 3.35Å; V54-M89 HydrophobicContact CB-CB 4.4Å; V54-M89 PolarHBondContact N-O 2.04Å; V54-M89 PolarHBondContact O-N 3.12Å; M89-Y91 HydrophobicContact CB-CE2 4.32Å; M89-Y91 HydrophobicContact CG-CD2 4.11Å; M89-Y91 HydrophobicContact CG-CE2 3.39Å
90V91.1Very high84.1Confident13 Ų1368 Ų688%0.07933%0.325CS..EExtended strand (participates in β ladder)trans-112.3125.5-176.3-171.40000110Y51 I52 Y53 V88 L102 T103Y51-V90 HydrophobicContact CD1-CG1 4.08Å; I52-V90 CarbonylContact O-C 3.56Å; I52-V90 WeakPolarHBondContact O-CA 3.14Å; Y53-V90 HydrophobicContact CD1-CB 4.46Å; Y53-V90 HydrophobicContact CD1-CG1 4.15Å; Y53-V90 HydrophobicContact CD1-CG2 3.64Å; Y53-V90 HydrophobicContact CE1-CG1 3.94Å; Y53-V90 HydrophobicContact CE1-CG2 3.87Å; V88-V90 HydrophobicContact CG2-CG2 4.23Å; V90-L102 HydrophobicContact CG1-CD2 4.29Å; V90-L102 WeakPolarHBondContact O-CB 3.36Å; V90-L102 PolarHBondContact O-N 3.34Å; V90-T103 HydrophobicContact CB-CG2 4.05Å; V90-T103 HydrophobicContact CG2-CG2 4.07Å; V90-T103 PolarHBondContact N-O 3.18Å; V90-T103 PolarHBondContact O-N 3.26Å
91Y87.7Confident84Confident3 Ų366 Ų661%0.01231%0.312CS..EExtended strand (participates in β ladder)trans-108.7136172.9-65-98.4000110.3W16 Y20 F40 Y51 I52 V54 M89 S100 P101W16-Y91 HydrophobicContact CH2-CE2 4.04Å; W16-Y91 WeakPolarHBondContact CH2-OH 3.44Å; Y20-Y91 WeakPolarHBondContact O-CE1 3.46Å; Y20-Y91 PolarHBondContact O-OH 2.9Å; F40-Y91 AromaticContact CE2-CD1 3.7Å; F40-Y91 HydrophobicContact CE2-CD1 3.7Å; F40-Y91 AromaticContact CE2-CD2 3.89Å; F40-Y91 HydrophobicContact CE2-CD2 3.89Å; F40-Y91 HydrophobicContact CE2-CE1 4.03Å; F40-Y91 HydrophobicContact CE2-CE2 4.19Å; F40-Y91 AromaticContact CE2-CG 3.64Å; F40-Y91 HydrophobicContact CE2-CG 3.64Å; F40-Y91 HydrophobicContact CZ-CD1 4.22Å; F40-Y91 AromaticContact CZ-CD2 3.8Å; F40-Y91 HydrophobicContact CZ-CD2 3.8Å; F40-Y91 HydrophobicContact CZ-CE1 4.19Å; F40-Y91 AromaticContact CZ-CE2 3.76Å; F40-Y91 HydrophobicContact CZ-CE2 3.76Å; F40-Y91 HydrophobicContact CZ-CG 4.04Å; F40-Y91 AromaticContact CZ-CZ 3.97Å; Y51-Y91 CarbonylContact C-O 3.57Å; Y51-Y91 WeakPolarHBondContact CA-O 3.14Å; I52-Y91 PolarHBondContact N-O 2.92Å; I52-Y91 PolarHBondContact O-N 2.74Å; V54-Y91 HydrophobicContact CG2-CD2 4.34Å; V54-Y91 HydrophobicContact CG2-CE2 4.11Å; M89-Y91 HydrophobicContact CB-CE2 4.32Å; M89-Y91 HydrophobicContact CG-CD2 4.11Å; M89-Y91 HydrophobicContact CG-CE2 3.39Å; Y91-S100 CarbonylContact C-O 3.56Å; Y91-S100 WeakPolarHBondContact CA-O 3.48Å; Y91-P101 HydrophobicContact CD1-CB 4.1Å; Y91-P101 HydrophobicContact CE1-CB 3.91Å
92R86.5Confident83.8Confident124 Ų12464.6 Ų64.647%0.46831%0.305SS..EExtended strand (participates in β ladder)trans-101.3131.1173.3-176.3177.1177.6-175.81.6110.4Y51 R94 Y99 S100 L102Y51-R92 HydrophobicContact CD1-CB 3.99Å; Y51-R92 HydrophobicContact CD1-CG 4.18Å; Y51-R92 HydrophobicContact CE1-CB 3.83Å; Y51-R92 HydrophobicContact CE1-CG 3.67Å; R92-R94 PolarHBondContact O-N 3.34Å; R92-Y99 CarbonylContact O-C 3.59Å; R92-Y99 WeakPolarHBondContact O-CA 3.46Å; R92-S100 PolarHBondContact N-O 2.95Å; R92-S100 PolarHBondContact O-N 2.77Å; R92-L102 HydrophobicContact CB-CB 4.28Å; R92-L102 HydrophobicContact CB-CD1 4.47Å; R92-L102 HydrophobicContact CB-CD2 4.45Å
93K81.6Confident83.7Confident39 Ų3966.8 Ų66.817%0.1731%0.313CS..EExtended strand (participates in β ladder)trans-68.2119.5168.9-165.4174.7-174.6171.40109.1S43 S50 Y99S43-K93 PolarHBondContact O-NZ 2.95Å; S50-K93 WeakPolarHBondContact O-CB 3.49Å; S50-K93 PolarHBondContact O-N 2.92Å; K93-Y99 HydrophobicContact CB-CD1 3.86Å; K93-Y99 HydrophobicContact CB-CE1 3.59Å; K93-Y99 HydrophobicContact CD-CE1 4.19Å; K93-Y99 HydrophobicContact CG-CD1 4.34Å; K93-Y99 HydrophobicContact CG-CE1 3.88Å
94R75.6Confident83.7Confident182 Ų18267.1 Ų67.169%0.68731%0.308SS*.EExtended strand (participates in β ladder)trans-95.7-51.1174.9-66.7-161.8-178.4-165.23111.3R92 K98 S100R92-R94 PolarHBondContact O-N 3.34Å; R94-K98 PolarHBondContact N-O 2.86Å; R94-S100 VanDerWaalsContact NE-CB 3.28Å; R94-S100 PolarHBondContact NE-OG 2.88Å
95E69.9Low83.8Confident129 Ų12970.9 Ų70.960%0.60333%0.329SS*.EExtended strand (participates in β ladder)trans-134.4176.8-175.8-71.7173178.100110.2R97 K98E95-R97 PolarHBondContact O-N 3.26Å; E95-K98 HydrophobicContact CB-CB 4.17Å; E95-K98 PolarHBondContact N-O 2.85Å; E95-K98 PolarHBondContact O-N 2.74Å; E95-K98 VanDerWaalsContact O-N 3.17Å
96R64.6Low83.9Confident166 Ų16672.2 Ų72.263%0.62634%0.335SS*.THydrogen-bonded Turntrans-57.1118.2172-172.4171.1-175.5156.31.7108.6K98R96-K98 VanDerWaalsContact C-N 3.27Å; R96-K98 PolarHBondContact O-N 2.91Å
97R63.4Low84Confident160 Ų16075.3 Ų75.360%0.60436%0.355SS*.THydrogen-bonded Turntrans68.812.2178.6-55.5164173.8168.3-3.6115.7E95E95-R97 PolarHBondContact O-N 3.26Å
98K74.4Confident84Confident117 Ų11777.7 Ų77.751%0.50937%0.372SS..EExtended strand (participates in β ladder)trans-121.6114.4178.6-164.2173.5-178177.20111.1R94 E95 R96R94-K98 PolarHBondContact N-O 2.86Å; E95-K98 HydrophobicContact CB-CB 4.17Å; E95-K98 PolarHBondContact N-O 2.85Å; E95-K98 PolarHBondContact O-N 2.74Å; E95-K98 VanDerWaalsContact O-N 3.17Å; R96-K98 VanDerWaalsContact C-N 3.27Å; R96-K98 PolarHBondContact O-N 2.91Å
99Y80.1Confident83.9Confident20 Ų2079.1 Ų79.18%0.07838%0.377CS..EExtended strand (participates in β ladder)trans-103147.6170.5-64-92.7000109.1N32 F40 P41 I52 R92 K93N32-Y99 HydrophobicContact CB-CD2 4.49Å; N32-Y99 PolarHBondContact ND2-N 3.43Å; N32-Y99 PolarHBondContact OD1-O 2.72Å; F40-Y99 HydrophobicContact CB-CD2 3.91Å; F40-Y99 HydrophobicContact CB-CE2 3.85Å; F40-Y99 AromaticContact CD2-CD2 3.71Å; F40-Y99 HydrophobicContact CD2-CD2 3.71Å; F40-Y99 HydrophobicContact CD2-CE2 4.4Å; F40-Y99 AromaticContact CD2-CG 3.79Å; F40-Y99 HydrophobicContact CD2-CG 3.79Å; F40-Y99 HydrophobicContact CG-CD2 4.33Å; P41-Y99 PolarHBondContact O-OH 2.89Å; I52-Y99 HydrophobicContact CD1-CD1 3.62Å; I52-Y99 HydrophobicContact CD1-CD2 4.13Å; I52-Y99 HydrophobicContact CD1-CE1 3.36Å; I52-Y99 HydrophobicContact CD1-CE2 3.88Å; I52-Y99 HydrophobicContact CD1-CG 4.01Å; I52-Y99 HydrophobicContact CG1-CD1 4.09Å; I52-Y99 HydrophobicContact CG1-CE1 3.72Å; R92-Y99 CarbonylContact O-C 3.59Å; R92-Y99 WeakPolarHBondContact O-CA 3.46Å; K93-Y99 HydrophobicContact CB-CD1 3.86Å; K93-Y99 HydrophobicContact CB-CE1 3.59Å; K93-Y99 HydrophobicContact CD-CE1 4.19Å; K93-Y99 HydrophobicContact CG-CD1 4.34Å; K93-Y99 HydrophobicContact CG-CE1 3.88Å
100S80.4Confident83.9Confident15 Ų1585 Ų8511%0.10541%0.408CS..EExtended strand (participates in β ladder)trans-123138.9169.963.50000108.5Y91 R92 R94 L102Y91-S100 CarbonylContact C-O 3.56Å; Y91-S100 WeakPolarHBondContact CA-O 3.48Å; R92-S100 PolarHBondContact N-O 2.95Å; R92-S100 PolarHBondContact O-N 2.77Å; R94-S100 VanDerWaalsContact NE-CB 3.28Å; R94-S100 PolarHBondContact NE-OG 2.88Å; S100-L102 PolarHBondContact O-N 2.88Å
101P85.9Confident83.8Confident36 Ų3685.2 Ų85.223%0.23441%0.409CS..EExtended strand (participates in β ladder)trans-59137.7169.427.5-34.2000109.8G21 Y91G21-P101 WeakPolarHBondContact O-CB 3.49Å; G21-P101 WeakPolarHBondContact O-CG 3.09Å; Y91-P101 HydrophobicContact CD1-CB 4.1Å; Y91-P101 HydrophobicContact CE1-CB 3.91Å
102L87.8Confident84Confident82 Ų8287.9 Ų87.943%0.42943%0.425SS..EExtended strand (participates in β ladder)trans-108.8-54.1-176.9-178.570.5000110.4Y51 V90 R92 S100Y51-L102 HydrophobicContact CD1-CD2 4.17Å; Y51-L102 HydrophobicContact CE1-CD2 3.73Å; V90-L102 HydrophobicContact CG1-CD2 4.29Å; V90-L102 WeakPolarHBondContact O-CB 3.36Å; V90-L102 PolarHBondContact O-N 3.34Å; R92-L102 HydrophobicContact CB-CB 4.28Å; R92-L102 HydrophobicContact CB-CD1 4.47Å; R92-L102 HydrophobicContact CB-CD2 4.45Å; S100-L102 PolarHBondContact O-N 2.88Å
103T89Confident84.1Confident72 Ų7284.8 Ų84.844%0.44242%0.418SS..EExtended strand (participates in β ladder)trans-162.4159.3-175.7-166.30000110.2V90V90-T103 HydrophobicContact CB-CG2 4.05Å; V90-T103 HydrophobicContact CG2-CG2 4.07Å; V90-T103 PolarHBondContact N-O 3.18Å; V90-T103 PolarHBondContact O-N 3.26Å
104S90.2Very high84.6Confident54 Ų5487.2 Ų87.238%0.37843%0.429SS..EExtended strand (participates in β ladder)trans-130.9150.3167.455.40000110V88V88-S104 CarbonylContact O-C 3.6Å; V88-S104 WeakPolarHBondContact O-CA 3.35Å
105D92.7Very high85.6Confident113 Ų11379.2 Ų79.260%0.60440%0.399SS*.EExtended strand (participates in β ladder)trans-145.8160.6172.8-165.719.6000109.9E87 V88E87-D105 WeakPolarHBondContact CA-O 3.3Å; V88-D105 HydrophobicContact CG1-CB 4.23Å; V88-D105 PolarHBondContact N-O 2.83Å; V88-D105 PolarHBondContact O-N 2.93Å
106N92.8Very high86.7Confident93 Ų9375.9 Ų75.950%0.49739%0.389SS..EExtended strand (participates in β ladder)trans-139.7152.4173.16420.6000112.5V85 M86 E87V85-N106 HydrophobicContact CG1-CB 4.16Å; M86-N106 CarbonylContact O-C 3.57Å; M86-N106 VanDerWaalsContact O-CA 3.27Å; M86-N106 WeakPolarHBondContact O-CA 3.4Å; E87-N106 HydrophobicContact CB-CB 4.17Å; E87-N106 HydrophobicContact CG-CB 3.69Å; E87-N106 PolarHBondContact OE1-ND2 2.9Å
107T93.9Very high88.2Confident88 Ų8869.6 Ų69.654%0.5437%0.368SS..EExtended strand (participates in β ladder)trans-148.4158.5178.9-168.10000110.5V85 M86V85-T107 WeakPolarHBondContact CA-O 3.42Å; M86-T107 HydrophobicContact CB-CG2 4.24Å; M86-T107 PolarHBondContact N-O 2.92Å; M86-T107 PolarHBondContact O-N 2.88Å
108V92.6Very high89.8Confident100 Ų10064.1 Ų64.161%0.60636%0.357SS*.EExtended strand (participates in β ladder)trans-100.3127.6176.5-176.40000108.9E84 V85E84-V108 CarbonylContact O-C 3.56Å; E84-V108 VanDerWaalsContact O-CA 3.27Å; E84-V108 WeakPolarHBondContact O-CA 3.36Å; V85-V108 HydrophobicContact CG2-CG2 4.31Å
109F90.8Very high90.8Very high55 Ų5559.3 Ų59.324%0.24134%0.337CS..EExtended strand (participates in β ladder)trans-108.9151.8168.569.2-85000110.3T57 G83 E84 M86 V111T57-F109 HydrophobicContact CG2-CZ 4.46Å; T57-F109 WeakPolarHBondContact OG1-CE1 3.3Å; G83-F109 CarbonylContact C-O 3.59Å; G83-F109 WeakPolarHBondContact CA-O 3.43Å; E84-F109 HydrophobicContact CB-CD1 4.26Å; E84-F109 HydrophobicContact CB-CE1 3.67Å; E84-F109 HydrophobicContact CB-CE2 3.97Å; E84-F109 HydrophobicContact CB-CZ 3.51Å; E84-F109 HydrophobicContact CG-CZ 4.36Å; E84-F109 PolarHBondContact N-O 3.33Å; E84-F109 VanDerWaalsContact O-CD1 3.23Å; E84-F109 WeakPolarHBondContact O-CD1 3.38Å; E84-F109 PolarHBondContact O-N 3.21Å; M86-F109 HydrophobicContact CB-CD1 3.85Å; M86-F109 HydrophobicContact CB-CE1 4.05Å; M86-F109 HydrophobicContact CE-CE1 4.02Å; F109-V111 HydrophobicContact CD2-CG2 3.96Å; F109-V111 HydrophobicContact CE2-CG2 3.57Å
110L90.3Very high91.5Very high125 Ų12561.8 Ų61.865%0.65435%0.352SS*.EExtended strand (participates in β ladder)trans-108122.8-179.1-18067.6000109.9
111V90.6Very high92.1Very high16 Ų1662.8 Ų62.810%0.09736%0.355CS..EExtended strand (participates in β ladder)trans-91.4120.1167.8-173.70000108.3I79 L81 G82 F109I79-V111 HydrophobicContact CG2-CG2 3.88Å; L81-V111 WeakPolarHBondContact CA-O 3.37Å; L81-V111 HydrophobicContact CD2-CG1 4.22Å; G82-V111 PolarHBondContact N-O 3.28Å; G82-V111 PolarHBondContact O-N 2.92Å; F109-V111 HydrophobicContact CD2-CG2 3.96Å; F109-V111 HydrophobicContact CE2-CG2 3.57Å
112T90.8Very high92.4Very high59 Ų5964 Ų6436%0.36237%0.365SS..  trans-133.7148.8-175.4-179.20000111.2K114 P116T112-K114 WeakPolarHBondContact CG2-O 3.4Å; T112-K114 PolarHBondContact OG1-N 2.78Å; T112-K114 VanDerWaalsContact OG1-N 3.09Å; T112-P116 HydrophobicContact CG2-CG 4.12Å
113D89Confident92.5Very high59 Ų5961.6 Ų61.632%0.31635%0.352SS..SBendtrans-85.4-0.2171.571.2-32.5000112.2L81 W285L81-D113 HydrophobicContact CD1-CB 3.95Å; L81-D113 HydrophobicContact CD2-CB 4.15Å; D113-W285 HydrophobicContact CB-CH2 3.85Å; D113-W285 HydrophobicContact CB-CZ2 4.49Å; D113-W285 WeakPolarHBondContact OD2-CH2 3.48Å; D113-W285 WeakPolarHBondContact OD2-CZ2 3.41Å
114K92.4Very high92.1Very high91 Ų9168 Ų6840%0.39637%0.373SS..BIsolated β-bridgetrans-100.9151.1179.3-54.2-52.3178.9-140.60111.7T112 P116 Y301T112-K114 WeakPolarHBondContact CG2-O 3.4Å; T112-K114 PolarHBondContact OG1-N 2.78Å; T112-K114 VanDerWaalsContact OG1-N 3.09Å; K114-P116 WeakPolarHBondContact O-CD 3.38Å; K114-Y301 CarbonylContact C-O 3.57Å; K114-Y301 WeakPolarHBondContact CA-O 3.29Å; K114-Y301 WeakPolarHBondContact CB-O 3.27Å; K114-Y301 WeakPolarHBondContact CD-O 3.06Å
115I95.1Very high91.2Very high13 Ų1368 Ų687%0.06737%0.373CS..  trans-73113.8170.7-55.6171.8000107.6L117 L146 L153 V194 A196 A300 Y301 G302I115-L117 WeakPolarHBondContact O-CD2 3.49Å; I115-L146 HydrophobicContact CG2-CD2 4.03Å; I115-L153 HydrophobicContact CD1-CD2 4.11Å; I115-L153 HydrophobicContact CG1-CD2 4.31Å; I115-L153 HydrophobicContact CG2-CD1 3.94Å; I115-V194 HydrophobicContact CD1-CG1 4.17Å; I115-A196 HydrophobicContact CD1-CB 3.78Å; I115-A300 HydrophobicContact CD1-CB 4.1Å; I115-A300 HydrophobicContact CG1-CB 4.09Å; I115-Y301 PolarHBondContact N-O 3.01Å; I115-G302 WeakPolarHBondContact O-CA 3.38Å
116P94.8Very high89.5Confident59 Ų5969.7 Ų69.738%0.38339%0.387SS..  trans-75.1130.8177.7-7.224.6000109.5T112 K114 H147T112-P116 HydrophobicContact CG2-CG 4.12Å; K114-P116 WeakPolarHBondContact O-CD 3.38Å; P116-H147 HydrophobicContact CB-CB 4.08Å; P116-H147 PolarHBondContact O-N 3.16Å
117L95.9Very high88.1Confident35 Ų3568.4 Ų68.418%0.18338%0.382CS..EExtended strand (participates in β ladder)trans-146.5158.9-177.973125.1000112.8I115 V119 V144 Q145 L146 L192 V194 F304I115-L117 WeakPolarHBondContact O-CD2 3.49Å; L117-V119 HydrophobicContact CD1-CG2 4Å; L117-V144 HydrophobicContact CB-CG1 4.4Å; L117-V144 HydrophobicContact CD1-CG1 3.88Å; L117-Q145 CarbonylContact C-O 3.59Å; L117-Q145 VanDerWaalsContact CA-O 3.26Å; L117-Q145 WeakPolarHBondContact CA-O 3.25Å; L117-L146 HydrophobicContact CB-CD2 3.79Å; L117-L192 HydrophobicContact CD1-CD2 3.66Å; L117-V194 HydrophobicContact CD1-CG2 4.16Å; L117-V194 HydrophobicContact CD2-CB 4.5Å; L117-V194 HydrophobicContact CD2-CG2 3.92Å; L117-F304 HydrophobicContact CD1-CB 3.74Å; L117-F304 HydrophobicContact CG-CB 4.45Å
118A96.2Very high86.3Confident45 Ų4572.4 Ų72.437%0.37240%0.401SS..EExtended strand (participates in β ladder)trans-127.8160.616600000109.5Q145A118-Q145 HydrophobicContact CB-CB 4.41Å; A118-Q145 PolarHBondContact N-O 2.94Å; A118-Q145 PolarHBondContact O-N 2.82Å
119V96.2Very high84.9Confident16 Ų1670.6 Ų70.610%0.09739%0.385CS..EExtended strand (participates in β ladder)trans-127.5119.3175.3-178.90000108.7L117 I121 F142 K143 V144 W163 L192 F304L117-V119 HydrophobicContact CD1-CG2 4Å; V119-I121 HydrophobicContact CG1-CG1 3.95Å; V119-F142 HydrophobicContact CG1-CB 4.3Å; V119-F142 HydrophobicContact CG1-CD1 4.32Å; V119-K143 CarbonylContact C-O 3.42Å; V119-K143 WeakPolarHBondContact CA-O 3.49Å; V119-V144 HydrophobicContact CG2-CG2 4.36Å; V119-W163 HydrophobicContact CG1-CH2 3.79Å; V119-W163 HydrophobicContact CG1-CZ3 4.31Å; V119-W163 HydrophobicContact CG2-CH2 4.18Å; V119-L192 HydrophobicContact CG2-CD2 3.76Å; V119-F304 HydrophobicContact CB-CD1 4.02Å; V119-F304 HydrophobicContact CB-CD2 4.17Å; V119-F304 HydrophobicContact CB-CE1 3.83Å; V119-F304 HydrophobicContact CB-CE2 3.98Å; V119-F304 HydrophobicContact CB-CG 4.19Å; V119-F304 HydrophobicContact CB-CZ 3.8Å; V119-F304 HydrophobicContact CG1-CE1 4.36Å; V119-F304 HydrophobicContact CG2-CB 4.04Å; V119-F304 HydrophobicContact CG2-CD1 3.58Å; V119-F304 HydrophobicContact CG2-CD2 3.91Å; V119-F304 HydrophobicContact CG2-CE1 3.94Å; V119-F304 HydrophobicContact CG2-CE2 4.23Å; V119-F304 HydrophobicContact CG2-CG 3.56Å; V119-F304 HydrophobicContact CG2-CZ 4.25Å
120D94.4Very high84Confident71 Ų7171.6 Ų71.638%0.3840%0.399SS..EExtended strand (participates in β ladder)trans-83125167.9-67.3-26.9000109K143 Q145D120-K143 HydrophobicContact CB-CB 4.29Å; D120-K143 PolarHBondContact N-O 2.75Å; D120-K143 PolarHBondContact O-N 2.93Å; D120-Q145 PolarHBondContact OD2-NE2 2.91Å
121I93.6Very high83.4Confident36 Ų3670.4 Ų70.419%0.18541%0.407CS..EExtended strand (participates in β ladder)trans-114.8121.6178.8-48.6175.6000107.2V119 F134 I140 V141 F142 F304 I308V119-I121 HydrophobicContact CG1-CG1 3.95Å; I121-F134 HydrophobicContact CB-CZ 3.86Å; I121-F134 HydrophobicContact CG2-CE1 3.85Å; I121-F134 HydrophobicContact CG2-CE2 3.84Å; I121-F134 HydrophobicContact CG2-CZ 3.35Å; I121-I140 HydrophobicContact CG2-CG2 3.48Å; I121-I140 VanDerWaalsContact CG2-CG2 3.48Å; I121-V141 WeakPolarHBondContact CA-O 3.33Å; I121-F142 HydrophobicContact CB-CD1 4.4Å; I121-F142 HydrophobicContact CB-CE1 4.44Å; I121-F142 HydrophobicContact CD1-CD1 4.06Å; I121-F142 HydrophobicContact CD1-CE1 3.86Å; I121-F142 HydrophobicContact CG1-CD1 3.77Å; I121-F142 HydrophobicContact CG1-CE1 3.98Å; I121-F142 HydrophobicContact CG2-CD1 3.93Å; I121-F142 HydrophobicContact CG2-CE1 3.63Å; I121-F142 HydrophobicContact CG2-CZ 4.05Å; I121-F304 HydrophobicContact CD1-CZ 4.4Å; I121-I308 HydrophobicContact CD1-CG2 3.71Å
122S91.7Very high83.2Confident62 Ų6272.2 Ų72.243%0.43442%0.42SS..EExtended strand (participates in β ladder)trans-139154-176.7650000110.9V141S122-V141 PolarHBondContact N-O 2.82Å; S122-V141 PolarHBondContact O-N 2.85Å
123Q90.5Very high83.1Confident32 Ų3271.1 Ų71.115%0.1541%0.413CS..EExtended strand (participates in β ladder)trans-138.3135.3174.3178.7176.965.400107.9S125 F134 I135 E138 I140Q123-S125 VanDerWaalsContact C-N 3.31Å; Q123-S125 PolarHBondContact O-N 2.85Å; Q123-F134 HydrophobicContact CB-CD1 3.66Å; Q123-F134 HydrophobicContact CB-CE1 4.27Å; Q123-I135 PolarHBondContact NE2-O 2.75Å; Q123-E138 HydrophobicContact CG-CB 4.38Å; Q123-E138 PolarHBondContact NE2-O 3.16Å; Q123-I140 HydrophobicContact CB-CG1 4.44Å; Q123-I140 HydrophobicContact CG-CG1 4.49Å
124K80.4Confident83.2Confident206 Ų20668.8 Ų68.890%0.89640%0.4SS*.  trans-71.488178.6-172.4-179.5-179.7-178.10109.1
125S69.7Low83.1Confident54 Ų5465.3 Ų65.338%0.37839%0.386SS..  trans-123.4146.2175.5-1640000111.5Q123 V127 I135Q123-S125 VanDerWaalsContact C-N 3.31Å; Q123-S125 PolarHBondContact O-N 2.85Å; S125-V127 PolarHBondContact O-N 2.92Å; S125-I135 WeakPolarHBondContact OG-CD1 3.02Å
126V58.4Low82.9Confident149 Ų14968.8 Ų68.890%0.90340%0.398SS*.SBendtrans-77.4-8.9176.4-175.40000111.5
127V62.7Low82.6Confident65 Ų6568.5 Ų68.539%0.39441%0.405SS..SBendtrans-110.6122.6-173.9-175.90000110S125 K129S125-V127 PolarHBondContact O-N 2.92Å; V127-K129 VanDerWaalsContact C-N 3.34Å; V127-K129 HydrophobicContact CG1-CG 4.37Å; V127-K129 PolarHBondContact O-N 2.88Å
128N56.1Low82.3Confident173 Ų17371.7 Ų71.793%0.92542%0.419SS*.  trans-60.990.4171.8-67.9-22000110.2
129K64.3Low82.1Confident62 Ų6274.6 Ų74.627%0.2743%0.425SS..  trans-95.7162.3169.5-72.7-172.8176.2-176.70110V127 V133V127-K129 VanDerWaalsContact C-N 3.34Å; V127-K129 HydrophobicContact CG1-CG 4.37Å; V127-K129 PolarHBondContact O-N 2.88Å; K129-V133 HydrophobicContact CD-CG1 4.17Å
130S71.2Confident82Confident76 Ų7673.9 Ų73.953%0.53142%0.421SS..  trans-60.6153.4172.250.60000111.2S132 V133S130-S132 PolarHBondContact O-N 2.88Å; S130-V133 PolarHBondContact O-N 3.26Å; S130-V133 VanDerWaalsContact O-N 3.16Å; S130-V133 WeakPolarHBondContact OG-CG2 3.31Å
131A77.4Confident82Confident100 Ų10072.5 Ų72.583%0.82642%0.415SS*.THydrogen-bonded Turntrans-60.1-10-170.100000116.2
132S85.8Confident82.1Confident54 Ų5470.8 Ų70.838%0.37841%0.406SS..THydrogen-bonded Turntrans-122.710.6-177.960.60000114.4S130 T309S130-S132 PolarHBondContact O-N 2.88Å; S132-T309 PolarHBondContact O-N 3.29Å
133V89.8Confident82.3Confident35 Ų3572.7 Ų72.721%0.21241%0.407CS..EExtended strand (participates in β ladder)trans-114.9119.7-177.8-179.50000110.8K129 S130 T309 V311K129-V133 HydrophobicContact CD-CG1 4.17Å; S130-V133 PolarHBondContact O-N 3.26Å; S130-V133 VanDerWaalsContact O-N 3.16Å; S130-V133 WeakPolarHBondContact OG-CG2 3.31Å; V133-T309 WeakPolarHBondContact CA-O 3.4Å; V133-V311 HydrophobicContact CG1-CB 4.42Å; V133-V311 HydrophobicContact CG1-CG1 3.81Å; V133-V311 HydrophobicContact CG1-CG2 3.67Å
134F91.4Very high82.7Confident10 Ų1071.2 Ų71.24%0.04440%0.4CS..EExtended strand (participates in β ladder)trans-123.6158-173.8-54.3-81.4000111.7I121 Q123 I140 I308 T309 I310 V311I121-F134 HydrophobicContact CB-CZ 3.86Å; I121-F134 HydrophobicContact CG2-CE1 3.85Å; I121-F134 HydrophobicContact CG2-CE2 3.84Å; I121-F134 HydrophobicContact CG2-CZ 3.35Å; Q123-F134 HydrophobicContact CB-CD1 3.66Å; Q123-F134 HydrophobicContact CB-CE1 4.27Å; F134-I140 HydrophobicContact CB-CD1 3.44Å; F134-I140 VanDerWaalsContact CB-CD1 3.44Å; F134-I140 HydrophobicContact CB-CG1 4.09Å; F134-I140 HydrophobicContact CD1-CD1 4.25Å; F134-I140 HydrophobicContact CD1-CG1 4.35Å; F134-I140 HydrophobicContact CD1-CG2 4.15Å; F134-I140 HydrophobicContact CD2-CD1 4.29Å; F134-I140 HydrophobicContact CE1-CG2 4.28Å; F134-I140 HydrophobicContact CG-CD1 3.74Å; F134-I140 HydrophobicContact CG-CG1 4.31Å; F134-I140 HydrophobicContact CG-CG2 4.49Å; F134-I308 HydrophobicContact CD2-CB 3.83Å; F134-I308 HydrophobicContact CD2-CD1 4.3Å; F134-I308 HydrophobicContact CD2-CG2 4.21Å; F134-I308 HydrophobicContact CE2-CB 3.75Å; F134-I308 HydrophobicContact CE2-CG2 3.63Å; F134-T309 PolarHBondContact N-O 2.88Å; F134-I310 HydrophobicContact CB-CD1 4.02Å; F134-I310 WeakPolarHBondContact O-CA 3.47Å; F134-V311 WeakPolarHBondContact O-CG2 3.04Å; F134-V311 PolarHBondContact O-N 2.86Å
135I89.6Confident83.4Confident18 Ų1866 Ų669%0.09238%0.379CS..EExtended strand (participates in β ladder)trans-91.4131.9-177.7-63.9168.1000109.7Q123 S125 E138 P313Q123-I135 PolarHBondContact NE2-O 2.75Å; S125-I135 WeakPolarHBondContact OG-CD1 3.02Å; I135-E138 HydrophobicContact CB-CB 4.32Å; I135-E138 HydrophobicContact CB-CG 4.11Å; I135-E138 HydrophobicContact CG2-CB 4.36Å; I135-E138 HydrophobicContact CG2-CG 3.71Å; I135-P313 HydrophobicContact CG2-CB 3.73Å; I135-P313 HydrophobicContact CG2-CG 3.69Å
136R91.6Very high84.7Confident87 Ų8765.2 Ų65.233%0.32837%0.37SS..THydrogen-bonded Turntrans-60139.5171.7-175.8-169.965.3-170.6-2.4111.5E138 Y182 S183 L185 I310 V311 E312R136-E138 PolarHBondContact O-N 2.8Å; R136-Y182 VanDerWaalsContact CG-O 3.23Å; R136-Y182 WeakPolarHBondContact CG-O 3.36Å; R136-S183 WeakPolarHBondContact CD-O 3.19Å; R136-L185 HydrophobicContact CB-CD2 3.87Å; R136-L185 HydrophobicContact CG-CD2 4.29Å; R136-I310 HydrophobicContact CB-CG2 3.79Å; R136-I310 HydrophobicContact CG-CG2 4.45Å; R136-V311 PolarHBondContact N-O 3.21Å; R136-E312 IonicContact NH1-OE1 3.79Å; R136-E312 IonicContact NH2-OE1 3.76Å
137G88.3Confident86.3Confident52 Ų5264.2 Ų64.254%0.53636%0.355SS..THydrogen-bonded Turntrans79.7-2.6174.300000114.8T181 Y182G137-T181 WeakPolarHBondContact O-CG2 3.5Å; G137-Y182 PolarHBondContact N-O 2.75Å
138E89Confident87.7Confident102 Ų10263.1 Ų63.148%0.47735%0.347SS..SBendtrans-105.3146.5176.8-67.8-67.8167.700110.1Q123 I135 R136 I140Q123-E138 HydrophobicContact CG-CB 4.38Å; Q123-E138 PolarHBondContact NE2-O 3.16Å; I135-E138 HydrophobicContact CB-CB 4.32Å; I135-E138 HydrophobicContact CB-CG 4.11Å; I135-E138 HydrophobicContact CG2-CB 4.36Å; I135-E138 HydrophobicContact CG2-CG 3.71Å; R136-E138 PolarHBondContact O-N 2.8Å; E138-I140 PolarHBondContact O-N 2.8Å
139E92.4Very high89.3Confident107 Ų10760.2 Ų60.250%0.534%0.338SS..PPolyproline II helixtrans-68.9120.9-176.9-170.5175.2-145.100111.3T179E139-T179 HydrophobicContact CG-CG2 3.96Å; E139-T179 WeakPolarHBondContact OE1-CB 3.42Å; E139-T179 VanDerWaalsContact OE1-CG2 3.31Å; E139-T179 WeakPolarHBondContact OE1-CG2 3.09Å; E139-T179 PolarHBondContact OE1-OG1 2.85Å
140I93.6Very high90.4Very high0 Ų062 Ų620%036%0.358CS..EExtended strand (participates in β ladder)trans-98.8128173-54.5177.4000108.2I121 Q123 F134 E138 F142 T179 H180 Y182 I308 I310I121-I140 HydrophobicContact CG2-CG2 3.48Å; I121-I140 VanDerWaalsContact CG2-CG2 3.48Å; Q123-I140 HydrophobicContact CB-CG1 4.44Å; Q123-I140 HydrophobicContact CG-CG1 4.49Å; F134-I140 HydrophobicContact CB-CD1 3.44Å; F134-I140 VanDerWaalsContact CB-CD1 3.44Å; F134-I140 HydrophobicContact CB-CG1 4.09Å; F134-I140 HydrophobicContact CD1-CD1 4.25Å; F134-I140 HydrophobicContact CD1-CG1 4.35Å; F134-I140 HydrophobicContact CD1-CG2 4.15Å; F134-I140 HydrophobicContact CD2-CD1 4.29Å; F134-I140 HydrophobicContact CE1-CG2 4.28Å; F134-I140 HydrophobicContact CG-CD1 3.74Å; F134-I140 HydrophobicContact CG-CG1 4.31Å; F134-I140 HydrophobicContact CG-CG2 4.49Å; E138-I140 PolarHBondContact O-N 2.8Å; I140-F142 HydrophobicContact CB-CE2 3.8Å; I140-F142 HydrophobicContact CB-CZ 4.28Å; I140-F142 HydrophobicContact CG2-CD2 4.21Å; I140-F142 HydrophobicContact CG2-CE1 4.48Å; I140-F142 HydrophobicContact CG2-CE2 3.55Å; I140-F142 HydrophobicContact CG2-CZ 3.71Å; I140-T179 CarbonylContact O-C 3.55Å; I140-T179 VanDerWaalsContact O-CA 3.25Å; I140-T179 WeakPolarHBondContact O-CA 3.13Å; I140-H180 WeakPolarHBondContact CB-O 3.5Å; I140-H180 PolarHBondContact N-O 3.12Å; I140-H180 PolarHBondContact O-N 2.66Å; I140-Y182 HydrophobicContact CD1-CD2 3.64Å; I140-Y182 HydrophobicContact CD1-CE2 3.93Å; I140-I308 HydrophobicContact CD1-CD1 4.49Å; I140-I310 HydrophobicContact CD1-CD1 3.84Å
141V94.6Very high91.3Very high43 Ų4359.2 Ų59.226%0.26134%0.342SS..EExtended strand (participates in β ladder)trans-96.2123.8178.3-174.80000109.4I121 S122 V177 T179I121-V141 WeakPolarHBondContact CA-O 3.33Å; S122-V141 PolarHBondContact N-O 2.82Å; S122-V141 PolarHBondContact O-N 2.85Å; V141-V177 HydrophobicContact CG1-CG1 3.84Å; V141-T179 HydrophobicContact CB-CG2 4.47Å; V141-T179 HydrophobicContact CG1-CG2 4.48Å; V141-T179 HydrophobicContact CG2-CG2 4.02Å
142F95.9Very high91.9Very high0 Ų059.9 Ų59.90%032%0.324CS..EExtended strand (participates in β ladder)trans-108.3119174.1-61.4-99.2000108.3V119 I121 I140 W163 F165 V177 T178 H180 Y182 V190 I308V119-F142 HydrophobicContact CG1-CB 4.3Å; V119-F142 HydrophobicContact CG1-CD1 4.32Å; I121-F142 HydrophobicContact CB-CD1 4.4Å; I121-F142 HydrophobicContact CB-CE1 4.44Å; I121-F142 HydrophobicContact CD1-CD1 4.06Å; I121-F142 HydrophobicContact CD1-CE1 3.86Å; I121-F142 HydrophobicContact CG1-CD1 3.77Å; I121-F142 HydrophobicContact CG1-CE1 3.98Å; I121-F142 HydrophobicContact CG2-CD1 3.93Å; I121-F142 HydrophobicContact CG2-CE1 3.63Å; I121-F142 HydrophobicContact CG2-CZ 4.05Å; I140-F142 HydrophobicContact CB-CE2 3.8Å; I140-F142 HydrophobicContact CB-CZ 4.28Å; I140-F142 HydrophobicContact CG2-CD2 4.21Å; I140-F142 HydrophobicContact CG2-CE1 4.48Å; I140-F142 HydrophobicContact CG2-CE2 3.55Å; I140-F142 HydrophobicContact CG2-CZ 3.71Å; F142-W163 HydrophobicContact CB-CH2 3.65Å; F142-W163 HydrophobicContact CB-CZ2 4.11Å; F142-W163 HydrophobicContact CB-CZ3 4.08Å; F142-W163 HydrophobicContact CD1-CH2 4.32Å; F142-W163 AromaticContact CD1-CZ3 3.97Å; F142-W163 HydrophobicContact CD1-CZ3 3.97Å; F142-W163 HydrophobicContact CG-CH2 4.3Å; F142-W163 HydrophobicContact CG-CZ3 4.23Å; F142-F165 HydrophobicContact CD2-CE1 4.05Å; F142-F165 HydrophobicContact CE2-CD1 4.4Å; F142-F165 AromaticContact CE2-CE1 3.85Å; F142-F165 HydrophobicContact CE2-CE1 3.85Å; F142-F165 HydrophobicContact CG-CE1 4.49Å; F142-F165 HydrophobicContact CZ-CD1 4.31Å; F142-F165 HydrophobicContact CZ-CE1 4.11Å; F142-V177 WeakPolarHBondContact O-CA 3.37Å; F142-T178 HydrophobicContact CB-CG2 3.91Å; F142-T178 PolarHBondContact N-O 3.45Å; F142-T178 PolarHBondContact O-N 2.89Å; F142-H180 HydrophobicContact CD2-CB 4.48Å; F142-H180 HydrophobicContact CE2-CB 3.92Å; F142-Y182 HydrophobicContact CZ-CE2 4.32Å; F142-V190 HydrophobicContact CE1-CG1 4.08Å; F142-V190 HydrophobicContact CE1-CG2 4.11Å; F142-V190 HydrophobicContact CZ-CG2 4.46Å; F142-I308 HydrophobicContact CZ-CD1 4.3Å
143K96.6Very high92.2Very high101 Ų10158.4 Ų58.444%0.43931%0.311SS..EExtended strand (participates in β ladder)trans-118.1116.6179176.9178.5-177.3-171.40109.7V119 D120 V177V119-K143 CarbonylContact C-O 3.42Å; V119-K143 WeakPolarHBondContact CA-O 3.49Å; D120-K143 HydrophobicContact CB-CB 4.29Å; D120-K143 PolarHBondContact N-O 2.75Å; D120-K143 PolarHBondContact O-N 2.93Å; K143-V177 HydrophobicContact CB-CG2 4.32Å; K143-V177 HydrophobicContact CG-CG2 4.05Å
144V97.3Very high92.3Very high1 Ų165.6 Ų65.61%0.00634%0.34CS..EExtended strand (participates in β ladder)trans-79.7132.4176.9-171.90000109.5L117 V119 L146 Y161 W163 E176 L192L117-V144 HydrophobicContact CB-CG1 4.4Å; L117-V144 HydrophobicContact CD1-CG1 3.88Å; V119-V144 HydrophobicContact CG2-CG2 4.36Å; V144-L146 HydrophobicContact CG1-CD2 3.76Å; V144-L146 HydrophobicContact CG1-CG 4.15Å; V144-Y161 HydrophobicContact CB-CD1 4.3Å; V144-Y161 HydrophobicContact CB-CE1 4.01Å; V144-Y161 HydrophobicContact CG1-CD1 4.3Å; V144-Y161 HydrophobicContact CG1-CE1 3.89Å; V144-Y161 HydrophobicContact CG2-CD1 3.87Å; V144-Y161 HydrophobicContact CG2-CE1 4.11Å; V144-W163 HydrophobicContact CG2-CH2 3.92Å; V144-W163 HydrophobicContact CG2-CZ2 3.52Å; V144-E176 HydrophobicContact CB-CB 4.37Å; V144-E176 WeakPolarHBondContact CG2-O 3.21Å; V144-E176 PolarHBondContact N-O 2.04Å; V144-L192 HydrophobicContact CG1-CD2 4.21Å; V144-L192 HydrophobicContact CG2-CD2 3.56Å
145Q96.6Very high92.4Very high96 Ų9669.3 Ų69.345%0.44936%0.363SS..EExtended strand (participates in β ladder)trans-110.8107.6169.6-62.1-166.21.700108.5L117 A118 D120L117-Q145 CarbonylContact C-O 3.59Å; L117-Q145 VanDerWaalsContact CA-O 3.26Å; L117-Q145 WeakPolarHBondContact CA-O 3.25Å; A118-Q145 HydrophobicContact CB-CB 4.41Å; A118-Q145 PolarHBondContact N-O 2.94Å; A118-Q145 PolarHBondContact O-N 2.82Å; D120-Q145 PolarHBondContact OD2-NE2 2.91Å
146L95.7Very high92.5Very high38 Ų3869.4 Ų69.420%0.19937%0.367CS..EExtended strand (participates in β ladder)trans-87.1132.2175.6-61.1178.4000110.2I115 L117 V144 D148 L153 Y161 V194I115-L146 HydrophobicContact CG2-CD2 4.03Å; L117-L146 HydrophobicContact CB-CD2 3.79Å; V144-L146 HydrophobicContact CG1-CD2 3.76Å; V144-L146 HydrophobicContact CG1-CG 4.15Å; L146-D148 PolarHBondContact O-N 2.89Å; L146-L153 HydrophobicContact CB-CD1 4.2Å; L146-L153 HydrophobicContact CD1-CD1 3.79Å; L146-L153 HydrophobicContact CG-CD1 4.48Å; L146-Y161 HydrophobicContact CD1-CE1 4.33Å; L146-Y161 VanDerWaalsContact CD1-OH 3.27Å; L146-Y161 WeakPolarHBondContact CD1-OH 3.27Å; L146-V194 HydrophobicContact CD2-CG1 4.3Å; L146-V194 HydrophobicContact CD2-CG2 4.33Å
147H92.9Very high92.6Very high129 Ų12968.4 Ų68.460%0.59738%0.377SS*.  trans-88.188.6174.2-174.873.7000110.4P116P116-H147 HydrophobicContact CB-CB 4.08Å; P116-H147 PolarHBondContact O-N 3.16Å
148D92.5Very high92.9Very high42 Ų4268.1 Ų68.123%0.22537%0.367CS..  trans-132.973.2178.1-179.219.8000112.2L146 S150 G151 Y152 L153L146-D148 PolarHBondContact O-N 2.89Å; D148-S150 PolarHBondContact O-N 3.15Å; D148-S150 PolarHBondContact OD1-N 2.84Å; D148-S150 PolarHBondContact OD1-OG 2.8Å; D148-G151 PolarHBondContact O-N 2.81Å; D148-G151 WeakPolarHBondContact OD1-CA 3.17Å; D148-G151 PolarHBondContact OD1-N 3.36Å; D148-G151 WeakPolarHBondContact OD2-CA 3.18Å; D148-G151 PolarHBondContact OD2-N 2.94Å; D148-Y152 VanDerWaalsContact CG-N 3.29Å; D148-Y152 PolarHBondContact OD1-N 2.65Å; D148-Y152 PolarHBondContact OD2-N 2.87Å; D148-L153 HydrophobicContact CB-CD1 3.98Å; D148-L153 HydrophobicContact CB-CG 4.15Å; D148-L153 WeakPolarHBondContact OD2-CB 3.07Å; D148-L153 PolarHBondContact OD2-N 2.75Å
149P89.4Confident93.3Very high112 Ų11264.9 Ų64.973%0.72735%0.354SS*.THydrogen-bonded Turntrans-63.8-25.5177.526.3-34.2000112.9
150S86.9Confident93.5Very high98 Ų9860.8 Ų60.869%0.68534%0.336SS*.THydrogen-bonded Turntrans-78-19.6178.351.70000114.3D148 Y152D148-S150 PolarHBondContact O-N 3.15Å; D148-S150 PolarHBondContact OD1-N 2.84Å; D148-S150 PolarHBondContact OD1-OG 2.8Å; S150-Y152 VanDerWaalsContact C-N 3.27Å; S150-Y152 WeakPolarHBondContact OG-CB 3.35Å; S150-Y152 PolarHBondContact OG-N 2.81Å
151G90.2Very high93.6Very high19 Ų1961.2 Ų61.220%0.19634%0.337CS..  trans69.422.7-168.700000113.6D148 L153 K154D148-G151 PolarHBondContact O-N 2.81Å; D148-G151 WeakPolarHBondContact OD1-CA 3.17Å; D148-G151 PolarHBondContact OD1-N 3.36Å; D148-G151 WeakPolarHBondContact OD2-CA 3.18Å; D148-G151 PolarHBondContact OD2-N 2.94Å; G151-L153 VanDerWaalsContact C-N 3.31Å; G151-L153 PolarHBondContact O-N 2.04Å; G151-K154 WeakPolarHBondContact O-CB 3.44Å; G151-K154 PolarHBondContact O-N 3.19Å
152Y89.4Confident93.7Very high114 Ų11461.9 Ų61.945%0.44734%0.339SS..G310 helixtrans-61.1-38.5-179.3178.3-113.9000112.2D148 S150 K154 T155 F198D148-Y152 VanDerWaalsContact CG-N 3.29Å; D148-Y152 PolarHBondContact OD1-N 2.65Å; D148-Y152 PolarHBondContact OD2-N 2.87Å; S150-Y152 VanDerWaalsContact C-N 3.27Å; S150-Y152 WeakPolarHBondContact OG-CB 3.35Å; S150-Y152 PolarHBondContact OG-N 2.81Å; Y152-K154 PolarHBondContact O-N 2.91Å; Y152-K154 VanDerWaalsContact O-N 3.15Å; Y152-T155 WeakPolarHBondContact O-CB 3.28Å; Y152-T155 PolarHBondContact O-N 2.6Å; Y152-T155 PolarHBondContact O-OG1 2.83Å; Y152-F198 HydrophobicContact CD1-CE1 4.07Å; Y152-F198 AromaticContact CD1-CZ 3.84Å; Y152-F198 HydrophobicContact CD1-CZ 3.84Å; Y152-F198 HydrophobicContact CE1-CD1 4.41Å; Y152-F198 AromaticContact CE1-CE1 3.59Å; Y152-F198 HydrophobicContact CE1-CE1 3.59Å; Y152-F198 HydrophobicContact CE1-CE2 4.03Å; Y152-F198 AromaticContact CE1-CZ 3.36Å; Y152-F198 HydrophobicContact CE1-CZ 3.36Å; Y152-F198 HydrophobicContact CE2-CE1 4.15Å; Y152-F198 AromaticContact CZ-CE1 3.62Å; Y152-F198 AromaticContact CZ-CZ 3.86Å
153L92.9Very high93.8Very high22 Ų2261.9 Ų61.912%0.11534%0.339CS..G310 helixtrans-65.6-19.4-179.7-61.4179.4000112.6I115 L146 D148 G151 T155 A156 A196 F198I115-L153 HydrophobicContact CD1-CD2 4.11Å; I115-L153 HydrophobicContact CG1-CD2 4.31Å; I115-L153 HydrophobicContact CG2-CD1 3.94Å; L146-L153 HydrophobicContact CB-CD1 4.2Å; L146-L153 HydrophobicContact CD1-CD1 3.79Å; L146-L153 HydrophobicContact CG-CD1 4.48Å; D148-L153 HydrophobicContact CB-CD1 3.98Å; D148-L153 HydrophobicContact CB-CG 4.15Å; D148-L153 WeakPolarHBondContact OD2-CB 3.07Å; D148-L153 PolarHBondContact OD2-N 2.75Å; G151-L153 VanDerWaalsContact C-N 3.31Å; G151-L153 PolarHBondContact O-N 2.04Å; L153-T155 PolarHBondContact O-N 3.32Å; L153-A156 VanDerWaalsContact O-CB 3.27Å; L153-A156 WeakPolarHBondContact O-CB 3.49Å; L153-A156 PolarHBondContact O-N 2.95Å; L153-A196 HydrophobicContact CD2-CB 4.25Å; L153-F198 HydrophobicContact CD2-CZ 4.1Å
154K91.9Very high93.8Very high187 Ų18758.6 Ų58.681%0.81333%0.326SS*.G310 helixtrans-68.9-16.9173.3-59.1-179.6178.8176.90113.3G151 Y152 A156G151-K154 WeakPolarHBondContact O-CB 3.44Å; G151-K154 PolarHBondContact O-N 3.19Å; Y152-K154 PolarHBondContact O-N 2.91Å; Y152-K154 VanDerWaalsContact O-N 3.15Å; K154-A156 VanDerWaalsContact C-N 3.33Å
155T92.3Very high93.7Very high88 Ų8858.6 Ų58.654%0.5433%0.326SS..G310 helixtrans-86.2-7.2175.869.60000112.9Y152 L153 F198Y152-T155 WeakPolarHBondContact O-CB 3.28Å; Y152-T155 PolarHBondContact O-N 2.6Å; Y152-T155 PolarHBondContact O-OG1 2.83Å; L153-T155 PolarHBondContact O-N 3.32Å; T155-F198 WeakPolarHBondContact OG1-CE1 3.45Å
156A93.1Very high93.5Very high19 Ų1959.9 Ų59.916%0.15733%0.326CS..SBendtrans-69.5145.517400000110.7L153 K154 V159 A196 A197 F198L153-A156 VanDerWaalsContact O-CB 3.27Å; L153-A156 WeakPolarHBondContact O-CB 3.49Å; L153-A156 PolarHBondContact O-N 2.95Å; K154-A156 VanDerWaalsContact C-N 3.33Å; A156-V159 HydrophobicContact CB-CG2 4.13Å; A156-A196 HydrophobicContact CB-CB 4.35Å; A156-A197 CarbonylContact C-O 3.59Å; A156-A197 WeakPolarHBondContact CA-O 3.37Å; A156-A197 WeakPolarHBondContact CB-O 3.31Å; A156-F198 HydrophobicContact CB-CD1 4.06Å; A156-F198 HydrophobicContact CB-CE1 3.76Å; A156-F198 HydrophobicContact CB-CE2 4.38Å; A156-F198 HydrophobicContact CB-CG 4.5Å; A156-F198 HydrophobicContact CB-CZ 3.93Å
157A93.7Very high93.2Very high67 Ų6760 Ų6055%0.55433%0.327SS*.SBendtrans-69.8-34.717100000111.9A197 F297A157-A197 PolarHBondContact N-O 2.8Å; A157-F297 HydrophobicContact CB-CD1 4.39Å; A157-F297 HydrophobicContact CB-CE1 3.72Å
158S94.3Very high93Very high46 Ų4657.1 Ų57.132%0.32233%0.333SS..EExtended strand (participates in β ladder)trans-148.9153.1174.166.70000111.8A196 A197S158-A196 WeakPolarHBondContact O-CA 3.13Å; S158-A197 PolarHBondContact O-N 2.65Å
159V96.1Very high92.8Very high33 Ų3359 Ų5920%0.234%0.343CS..EExtended strand (participates in β ladder)trans-131.6112.4168.9-176.80000107.9A156 Y161 V194 E195 A196A156-V159 HydrophobicContact CB-CG2 4.13Å; V159-Y161 HydrophobicContact CG1-CE2 4.02Å; V159-V194 HydrophobicContact CG1-CG1 3.81Å; V159-E195 CarbonylContact C-O 3.5Å; V159-E195 WeakPolarHBondContact CA-O 3.49Å; V159-A196 HydrophobicContact CG2-CB 4.11Å
160D96.8Very high93Very high22 Ų2260.5 Ų60.512%0.11834%0.34CS..EExtended strand (participates in β ladder)trans-110.5137.5-174.4-61.1-31.8000110.2V172 H174 V194 E195D160-V172 HydrophobicContact CB-CG1 4.42Å; D160-H174 IonicContact OD1-CE1 2.9Å; D160-H174 PolarHBondContact OD1-CE1 2.92Å; D160-H174 IonicContact OD1-CG 3.64Å; D160-H174 IonicContact OD1-ND1 3.78Å; D160-H174 PolarHBondContact OD1-ND1 3.22Å; D160-V194 CarbonylContact O-C 3.45Å; D160-V194 WeakPolarHBondContact O-CA 3.39Å; D160-E195 PolarHBondContact N-O 2.78Å; D160-E195 PolarHBondContact O-N 2.9Å
161Y97.3Very high93.3Very high8 Ų858.6 Ų58.63%0.03133%0.325CS..EExtended strand (participates in β ladder)trans-113.6109.4-179.7-56.2-94.7000108.8V144 L146 V159 V172 T173 R175 E176 L192 V194V144-Y161 HydrophobicContact CB-CD1 4.3Å; V144-Y161 HydrophobicContact CB-CE1 4.01Å; V144-Y161 HydrophobicContact CG1-CD1 4.3Å; V144-Y161 HydrophobicContact CG1-CE1 3.89Å; V144-Y161 HydrophobicContact CG2-CD1 3.87Å; V144-Y161 HydrophobicContact CG2-CE1 4.11Å; L146-Y161 HydrophobicContact CD1-CE1 4.33Å; L146-Y161 VanDerWaalsContact CD1-OH 3.27Å; L146-Y161 WeakPolarHBondContact CD1-OH 3.27Å; V159-Y161 HydrophobicContact CG1-CE2 4.02Å; Y161-V172 CarbonylContact O-C 3.45Å; Y161-V172 WeakPolarHBondContact O-CA 3.47Å; Y161-T173 WeakPolarHBondContact CB-OG1 3.4Å; Y161-T173 WeakPolarHBondContact CD2-O 3.48Å; Y161-T173 PolarHBondContact N-O 3.06Å; Y161-T173 PolarHBondContact O-N 2.81Å; Y161-R175 WeakPolarHBondContact CD2-O 3.38Å; Y161-E176 HydrophobicContact CE1-CG 4.24Å; Y161-E176 HydrophobicContact CE2-CG 4.36Å; Y161-E176 WeakPolarHBondContact OH-CG 3.45Å; Y161-L192 HydrophobicContact CD1-CD1 4.39Å; Y161-V194 HydrophobicContact CD1-CG1 4.29Å; Y161-V194 HydrophobicContact CD1-CG2 3.79Å; Y161-V194 HydrophobicContact CE1-CG1 4.08Å; Y161-V194 HydrophobicContact CE1-CG2 4.04Å
162I96.9Very high93.6Very high57 Ų5761.9 Ų61.929%0.29234%0.34SS..EExtended strand (participates in β ladder)trans-103.5106.9-174.8-52.8166.4000108.2V172 L192 V193I162-V172 HydrophobicContact CG1-CG1 4.34Å; I162-V172 HydrophobicContact CG1-CG2 4.21Å; I162-V172 HydrophobicContact CG2-CG2 4.27Å; I162-L192 WeakPolarHBondContact O-CA 3.44Å; I162-V193 HydrophobicContact CB-CB 4.31Å; I162-V193 PolarHBondContact N-O 2.87Å; I162-V193 PolarHBondContact O-N 3.09Å
163W97.3Very high93.9Very high1 Ų157.6 Ų57.60%0.00433%0.326CS..EExtended strand (participates in β ladder)trans-97.8136-176.7-65.390.6000111.8V119 F142 V144 F165 Q170 V171 T178 V190 L192V119-W163 HydrophobicContact CG1-CH2 3.79Å; V119-W163 HydrophobicContact CG1-CZ3 4.31Å; V119-W163 HydrophobicContact CG2-CH2 4.18Å; F142-W163 HydrophobicContact CB-CH2 3.65Å; F142-W163 HydrophobicContact CB-CZ2 4.11Å; F142-W163 HydrophobicContact CB-CZ3 4.08Å; F142-W163 HydrophobicContact CD1-CH2 4.32Å; F142-W163 AromaticContact CD1-CZ3 3.97Å; F142-W163 HydrophobicContact CD1-CZ3 3.97Å; F142-W163 HydrophobicContact CG-CH2 4.3Å; F142-W163 HydrophobicContact CG-CZ3 4.23Å; V144-W163 HydrophobicContact CG2-CH2 3.92Å; V144-W163 HydrophobicContact CG2-CZ2 3.52Å; W163-F165 HydrophobicContact CB-CE1 4.38Å; W163-F165 HydrophobicContact CB-CE2 3.94Å; W163-F165 HydrophobicContact CB-CZ 3.85Å; W163-F165 HydrophobicContact CD2-CE1 4.45Å; W163-F165 HydrophobicContact CD2-CZ 4.34Å; W163-F165 HydrophobicContact CE3-CE1 4.12Å; W163-F165 HydrophobicContact CE3-CZ 4.47Å; W163-F165 HydrophobicContact CG-CZ 4.11Å; W163-Q170 WeakPolarHBondContact O-CA 3.34Å; W163-Q170 WeakPolarHBondContact O-CB 3.05Å; W163-V171 WeakPolarHBondContact CB-O 3.38Å; W163-V171 PolarHBondContact N-O 2.86Å; W163-V171 PolarHBondContact O-N 2.84Å; W163-V171 VanDerWaalsContact O-N 3.07Å; W163-T178 HydrophobicContact CD2-CG2 3.93Å; W163-T178 VanDerWaalsContact CE2-CG2 3.43Å; W163-T178 HydrophobicContact CG-CG2 4.24Å; W163-T178 HydrophobicContact CH2-CG2 4.48Å; W163-T178 HydrophobicContact CZ2-CG2 3.74Å; W163-V190 HydrophobicContact CE3-CG1 4.04Å; W163-V190 HydrophobicContact CZ3-CG1 4.13Å; W163-L192 HydrophobicContact CD2-CB 4.33Å; W163-L192 HydrophobicContact CD2-CD1 3.86Å; W163-L192 HydrophobicContact CE3-CB 3.89Å; W163-L192 HydrophobicContact CE3-CD1 4.28Å; W163-L192 HydrophobicContact CG-CD1 4.26Å; W163-L192 HydrophobicContact CH2-CB 4.25Å; W163-L192 HydrophobicContact CH2-CD1 4.39Å; W163-L192 HydrophobicContact CH2-CD2 3.7Å; W163-L192 HydrophobicContact CH2-CG 4.33Å; W163-L192 HydrophobicContact CZ2-CD1 3.99Å; W163-L192 HydrophobicContact CZ2-CD2 3.83Å; W163-L192 HydrophobicContact CZ2-CG 4.37Å; W163-L192 HydrophobicContact CZ3-CB 3.84Å; W163-L192 HydrophobicContact CZ3-CD2 4.16Å; W163-L192 HydrophobicContact CZ3-CG 4.4Å
164D96.5Very high93.9Very high31 Ų3163.4 Ų63.417%0.16635%0.353CS..EExtended strand (participates in β ladder)trans-122.6105.8164.6170.713.7000108.2R166 Q170 K191D164-R166 VanDerWaalsContact C-N 3.25Å; D164-R166 VanDerWaalsContact CG-CD 3.45Å; D164-R166 PolarHBondContact O-N 2.87Å; D164-R166 WeakPolarHBondContact OD1-CA 3.4Å; D164-R166 WeakPolarHBondContact OD1-CD 3.47Å; D164-R166 PolarHBondContact OD1-N 3.44Å; D164-R166 WeakPolarHBondContact OD2-CD 3.35Å; D164-R166 IonicContact OD2-CZ 3.62Å; D164-R166 IonicContact OD2-NE 2.69Å; D164-R166 IonicContact OD2-NH1 3.22Å; D164-R166 PolarHBondContact OD2-NH1 2.74Å; D164-Q170 HydrophobicContact CB-CG 4.21Å; D164-K191 HydrophobicContact CB-CB 4.24Å; D164-K191 PolarHBondContact N-O 2.82Å; D164-K191 PolarHBondContact O-N 2.76Å
165F95.4Very high94Very high1 Ų164.2 Ų64.20%0.00435%0.35CS..  trans-80.1-5.3-178.3-64.4-66.9000113.1F142 W163 D167 N169 V171 T178 H180 Y182 V190F142-F165 HydrophobicContact CD2-CE1 4.05Å; F142-F165 HydrophobicContact CE2-CD1 4.4Å; F142-F165 AromaticContact CE2-CE1 3.85Å; F142-F165 HydrophobicContact CE2-CE1 3.85Å; F142-F165 HydrophobicContact CG-CE1 4.49Å; F142-F165 HydrophobicContact CZ-CD1 4.31Å; F142-F165 HydrophobicContact CZ-CE1 4.11Å; W163-F165 HydrophobicContact CB-CE1 4.38Å; W163-F165 HydrophobicContact CB-CE2 3.94Å; W163-F165 HydrophobicContact CB-CZ 3.85Å; W163-F165 HydrophobicContact CD2-CE1 4.45Å; W163-F165 HydrophobicContact CD2-CZ 4.34Å; W163-F165 HydrophobicContact CE3-CE1 4.12Å; W163-F165 HydrophobicContact CE3-CZ 4.47Å; W163-F165 HydrophobicContact CG-CZ 4.11Å; F165-D167 WeakPolarHBondContact CB-OD1 3.46Å; F165-D167 PolarHBondContact O-N 3.16Å; F165-N169 HydrophobicContact CD2-CB 4.35Å; F165-N169 PolarHBondContact N-O 2.89Å; F165-V171 HydrophobicContact CE2-CB 4.3Å; F165-V171 HydrophobicContact CE2-CG2 4.05Å; F165-T178 HydrophobicContact CZ-CG2 4.24Å; F165-H180 HydrophobicContact CD1-CB 3.97Å; F165-H180 AromaticContact CD1-CD2 3.65Å; F165-H180 AromaticContact CD1-CG 3.84Å; F165-H180 HydrophobicContact CD2-CB 4.28Å; F165-H180 AromaticContact CD2-CD2 3.84Å; F165-H180 AromaticContact CD2-CE1 3.93Å; F165-H180 AromaticContact CD2-CG 3.68Å; F165-H180 AromaticContact CD2-ND1 3.78Å; F165-H180 AromaticContact CD2-NE2 3.98Å; F165-H180 HydrophobicContact CE1-CB 3.6Å; F165-H180 AromaticContact CE1-CG 3.94Å; F165-H180 HydrophobicContact CE2-CB 3.92Å; F165-H180 AromaticContact CE2-CG 3.78Å; F165-H180 AromaticContact CE2-ND1 3.92Å; F165-H180 HydrophobicContact CG-CB 4.3Å; F165-H180 AromaticContact CG-CD2 3.45Å; F165-H180 VanDerWaalsContact CG-CD2 3.45Å; F165-H180 WeakPolarHBondContact CG-CD2 3.15Å; F165-H180 AromaticContact CG-CG 3.71Å; F165-H180 AromaticContact CG-NE2 3.78Å; F165-H180 HydrophobicContact CZ-CB 3.58Å; F165-H180 AromaticContact CZ-CG 3.92Å; F165-Y182 HydrophobicContact CB-CE1 4.25Å; F165-Y182 WeakPolarHBondContact O-CE1 3.13Å; F165-Y182 PolarHBondContact O-OH 3.45Å; F165-V190 HydrophobicContact CD1-CG1 4.03Å; F165-V190 HydrophobicContact CE1-CG1 4.44Å
166R92.6Very high94.1Very high123 Ų12364.5 Ų64.546%0.46435%0.346SS..SBendtrans60.917.3-178.6-45.4-63.6-91.6166.94.6115.9D164 N189D164-R166 VanDerWaalsContact C-N 3.25Å; D164-R166 VanDerWaalsContact CG-CD 3.45Å; D164-R166 PolarHBondContact O-N 2.87Å; D164-R166 WeakPolarHBondContact OD1-CA 3.4Å; D164-R166 WeakPolarHBondContact OD1-CD 3.47Å; D164-R166 PolarHBondContact OD1-N 3.44Å; D164-R166 WeakPolarHBondContact OD2-CD 3.35Å; D164-R166 IonicContact OD2-CZ 3.62Å; D164-R166 IonicContact OD2-NE 2.69Å; D164-R166 IonicContact OD2-NH1 3.22Å; D164-R166 PolarHBondContact OD2-NH1 2.74Å; R166-N189 WeakPolarHBondContact CD-O 3.36Å; R166-N189 HydrophobicContact CG-CB 4.36Å; R166-N189 WeakPolarHBondContact CG-O 3.26Å
167D89.4Confident94.3Very high40 Ų4067.1 Ų67.121%0.21436%0.359CS..SBendtrans-1069.5169.666.7-13.5000112.1F165 N169 H180 Y182F165-D167 WeakPolarHBondContact CB-OD1 3.46Å; F165-D167 PolarHBondContact O-N 3.16Å; D167-N169 VanDerWaalsContact CG-ND2 3.32Å; D167-N169 VanDerWaalsContact OD1-CB 3.27Å; D167-N169 WeakPolarHBondContact OD1-CB 3.02Å; D167-N169 PolarHBondContact OD1-N 2.88Å; D167-N169 PolarHBondContact OD1-ND2 2.85Å; D167-N169 PolarHBondContact OD2-ND2 2.85Å; D167-H180 IonicContact OD1-NE2 2.66Å; D167-H180 IonicContact OD2-CD2 3.15Å; D167-H180 IonicContact OD2-CE1 3.99Å; D167-H180 PolarHBondContact OD2-CE1 2.97Å; D167-H180 VanDerWaalsContact OD2-CE1 3.28Å; D167-H180 IonicContact OD2-NE2 3.87Å; D167-H180 PolarHBondContact OD2-NE2 2.8Å; D167-Y182 HydrophobicContact CB-CD1 4.15Å; D167-Y182 HydrophobicContact CB-CE1 4.16Å
168G87.5Confident94.4Very high70 Ų7064.7 Ų64.772%0.72234%0.338SS*.SBendtrans97.4-11.6-173.800000113.7
169N89Confident94.4Very high81 Ų8165.4 Ų65.443%0.43334%0.34SS..  trans-91132.2178-60.3-52.3000111.4F165 D167F165-N169 HydrophobicContact CD2-CB 4.35Å; F165-N169 PolarHBondContact N-O 2.89Å; D167-N169 VanDerWaalsContact CG-ND2 3.32Å; D167-N169 VanDerWaalsContact OD1-CB 3.27Å; D167-N169 WeakPolarHBondContact OD1-CB 3.02Å; D167-N169 PolarHBondContact OD1-N 2.88Å; D167-N169 PolarHBondContact OD1-ND2 2.85Å; D167-N169 PolarHBondContact OD2-ND2 2.85Å
170Q93.7Very high94.3Very high143 Ų14364.8 Ų64.867%0.66834%0.335SS*.EExtended strand (participates in β ladder)trans-126.5137.7169.8-66.1179.833.200109.2W163 D164W163-Q170 WeakPolarHBondContact O-CA 3.34Å; W163-Q170 WeakPolarHBondContact O-CB 3.05Å; D164-Q170 HydrophobicContact CB-CG 4.21Å
171V94.2Very high94.2Very high59 Ų5966.9 Ų66.936%0.35835%0.349SS..EExtended strand (participates in β ladder)trans-137.4136.9-176.2179.50000109.3W163 F165 T173W163-V171 WeakPolarHBondContact CB-O 3.38Å; W163-V171 PolarHBondContact N-O 2.86Å; W163-V171 PolarHBondContact O-N 2.84Å; W163-V171 VanDerWaalsContact O-N 3.07Å; F165-V171 HydrophobicContact CE2-CB 4.3Å; F165-V171 HydrophobicContact CE2-CG2 4.05Å; V171-T173 HydrophobicContact CG1-CG2 3.83Å
172V95.4Very high94Very high87 Ų8766.6 Ų66.653%0.52735%0.348SS..EExtended strand (participates in β ladder)trans-107.2126.5170.4-176.10000108.5D160 Y161 I162D160-V172 HydrophobicContact CB-CG1 4.42Å; Y161-V172 CarbonylContact O-C 3.45Å; Y161-V172 WeakPolarHBondContact O-CA 3.47Å; I162-V172 HydrophobicContact CG1-CG1 4.34Å; I162-V172 HydrophobicContact CG1-CG2 4.21Å; I162-V172 HydrophobicContact CG2-CG2 4.27Å
173T94.9Very high93.8Very high24 Ų2468.2 Ų68.215%0.14736%0.364CS..EExtended strand (participates in β ladder)trans-122.3155.2176.267.10000111.2Y161 V171 R175Y161-T173 WeakPolarHBondContact CB-OG1 3.4Å; Y161-T173 WeakPolarHBondContact CD2-O 3.48Å; Y161-T173 PolarHBondContact N-O 3.06Å; Y161-T173 PolarHBondContact O-N 2.81Å; V171-T173 HydrophobicContact CG1-CG2 3.83Å; T173-R175 PolarHBondContact OG1-O 2.85Å; T173-R175 VanDerWaalsContact OG1-O 3.06Å
174H94.4Very high93.5Very high145 Ų14571.4 Ų71.467%0.67138%0.384SS*.SBendtrans-105.720.4173.1-54.3-67.7000111.9D160D160-H174 IonicContact OD1-CE1 2.9Å; D160-H174 PolarHBondContact OD1-CE1 2.92Å; D160-H174 IonicContact OD1-CG 3.64Å; D160-H174 IonicContact OD1-ND1 3.78Å; D160-H174 PolarHBondContact OD1-ND1 3.22Å
175R93.9Very high93.3Very high203 Ų20373.4 Ų73.477%0.76639%0.394SS*.SBendtrans-138147.3-177.6-63.8-177.9-176.9-118.30.6109.3Y161 T173 V177Y161-R175 WeakPolarHBondContact CD2-O 3.38Å; T173-R175 PolarHBondContact OG1-O 2.85Å; T173-R175 VanDerWaalsContact OG1-O 3.06Å; R175-V177 PolarHBondContact O-N 3.14Å
176E94.5Very high93.1Very high94 Ų9474.8 Ų74.844%0.43941%0.409SS..SBendtrans-66.7-14.7-179.5-69.4169.1-173.400114.1V144 Y161V144-E176 HydrophobicContact CB-CB 4.37Å; V144-E176 WeakPolarHBondContact CG2-O 3.21Å; V144-E176 PolarHBondContact N-O 2.04Å; Y161-E176 HydrophobicContact CE1-CG 4.24Å; Y161-E176 HydrophobicContact CE2-CG 4.36Å; Y161-E176 WeakPolarHBondContact OH-CG 3.45Å
177V95.8Very high93.1Very high74 Ų7477.5 Ų77.545%0.44842%0.419SS..EExtended strand (participates in β ladder)trans-115.5129.4-179.1-175.90000109.3V141 F142 K143 R175V141-V177 HydrophobicContact CG1-CG1 3.84Å; F142-V177 WeakPolarHBondContact O-CA 3.37Å; K143-V177 HydrophobicContact CB-CG2 4.32Å; K143-V177 HydrophobicContact CG-CG2 4.05Å; R175-V177 PolarHBondContact O-N 3.14Å
178T95.7Very high93.4Very high17 Ų1776.6 Ų76.610%0.10441%0.414CS..EExtended strand (participates in β ladder)trans-135.9160.9171.2-165.80000110.4F142 W163 F165F142-T178 HydrophobicContact CB-CG2 3.91Å; F142-T178 PolarHBondContact N-O 3.45Å; F142-T178 PolarHBondContact O-N 2.89Å; W163-T178 HydrophobicContact CD2-CG2 3.93Å; W163-T178 VanDerWaalsContact CE2-CG2 3.43Å; W163-T178 HydrophobicContact CG-CG2 4.24Å; W163-T178 HydrophobicContact CH2-CG2 4.48Å; W163-T178 HydrophobicContact CZ2-CG2 3.74Å; F165-T178 HydrophobicContact CZ-CG2 4.24Å
179T95.1Very high93.7Very high60 Ų6075.4 Ų75.437%0.36839%0.391SS..EExtended strand (participates in β ladder)trans-125.6148.4176.363.50000111.1E139 I140 V141E139-T179 HydrophobicContact CG-CG2 3.96Å; E139-T179 WeakPolarHBondContact OE1-CB 3.42Å; E139-T179 VanDerWaalsContact OE1-CG2 3.31Å; E139-T179 WeakPolarHBondContact OE1-CG2 3.09Å; E139-T179 PolarHBondContact OE1-OG1 2.85Å; I140-T179 CarbonylContact O-C 3.55Å; I140-T179 VanDerWaalsContact O-CA 3.25Å; I140-T179 WeakPolarHBondContact O-CA 3.13Å; V141-T179 HydrophobicContact CB-CG2 4.47Å; V141-T179 HydrophobicContact CG1-CG2 4.48Å; V141-T179 HydrophobicContact CG2-CG2 4.02Å
180H95Very high94Very high21 Ų2171.6 Ų71.610%0.09737%0.37CS..EExtended strand (participates in β ladder)trans-149.3149.3178.8-172.955.5000111.8I140 F142 F165 D167 Y182I140-H180 WeakPolarHBondContact CB-O 3.5Å; I140-H180 PolarHBondContact N-O 3.12Å; I140-H180 PolarHBondContact O-N 2.66Å; F142-H180 HydrophobicContact CD2-CB 4.48Å; F142-H180 HydrophobicContact CE2-CB 3.92Å; F165-H180 HydrophobicContact CD1-CB 3.97Å; F165-H180 AromaticContact CD1-CD2 3.65Å; F165-H180 AromaticContact CD1-CG 3.84Å; F165-H180 HydrophobicContact CD2-CB 4.28Å; F165-H180 AromaticContact CD2-CD2 3.84Å; F165-H180 AromaticContact CD2-CE1 3.93Å; F165-H180 AromaticContact CD2-CG 3.68Å; F165-H180 AromaticContact CD2-ND1 3.78Å; F165-H180 AromaticContact CD2-NE2 3.98Å; F165-H180 HydrophobicContact CE1-CB 3.6Å; F165-H180 AromaticContact CE1-CG 3.94Å; F165-H180 HydrophobicContact CE2-CB 3.92Å; F165-H180 AromaticContact CE2-CG 3.78Å; F165-H180 AromaticContact CE2-ND1 3.92Å; F165-H180 HydrophobicContact CG-CB 4.3Å; F165-H180 AromaticContact CG-CD2 3.45Å; F165-H180 VanDerWaalsContact CG-CD2 3.45Å; F165-H180 WeakPolarHBondContact CG-CD2 3.15Å; F165-H180 AromaticContact CG-CG 3.71Å; F165-H180 AromaticContact CG-NE2 3.78Å; F165-H180 HydrophobicContact CZ-CB 3.58Å; F165-H180 AromaticContact CZ-CG 3.92Å; D167-H180 IonicContact OD1-NE2 2.66Å; D167-H180 IonicContact OD2-CD2 3.15Å; D167-H180 IonicContact OD2-CE1 3.99Å; D167-H180 PolarHBondContact OD2-CE1 2.97Å; D167-H180 VanDerWaalsContact OD2-CE1 3.28Å; D167-H180 IonicContact OD2-NE2 3.87Å; D167-H180 PolarHBondContact OD2-NE2 2.8Å; H180-Y182 AromaticContact CD2-CD2 3.86Å; H180-Y182 AromaticContact CD2-CE1 3.97Å; H180-Y182 AromaticContact CD2-CE2 3.54Å; H180-Y182 AromaticContact CD2-CZ 3.6Å
181T94.1Very high94.2Very high66 Ų6668.6 Ų68.641%0.40536%0.355SS..  trans-125.5114.5-176-46.80000109.7G137G137-T181 WeakPolarHBondContact O-CG2 3.5Å
182Y93.7Very high94.3Very high1 Ų165.9 Ų65.90%0.00434%0.339CS..  trans-83.1131.7178.1-71.5-88.3000111.8R136 G137 I140 F142 F165 D167 H180 M188 V190 I308 I310R136-Y182 VanDerWaalsContact CG-O 3.23Å; R136-Y182 WeakPolarHBondContact CG-O 3.36Å; G137-Y182 PolarHBondContact N-O 2.75Å; I140-Y182 HydrophobicContact CD1-CD2 3.64Å; I140-Y182 HydrophobicContact CD1-CE2 3.93Å; F142-Y182 HydrophobicContact CZ-CE2 4.32Å; F165-Y182 HydrophobicContact CB-CE1 4.25Å; F165-Y182 WeakPolarHBondContact O-CE1 3.13Å; F165-Y182 PolarHBondContact O-OH 3.45Å; D167-Y182 HydrophobicContact CB-CD1 4.15Å; D167-Y182 HydrophobicContact CB-CE1 4.16Å; H180-Y182 AromaticContact CD2-CD2 3.86Å; H180-Y182 AromaticContact CD2-CE1 3.97Å; H180-Y182 AromaticContact CD2-CE2 3.54Å; H180-Y182 AromaticContact CD2-CZ 3.6Å; Y182-M188 HydrophobicContact CD1-CG 3.95Å; Y182-M188 HydrophobicContact CE1-CB 4.03Å; Y182-M188 HydrophobicContact CE1-CG 3.64Å; Y182-M188 HydrophobicContact CE1-SD 4.5Å; Y182-V190 WeakPolarHBondContact OH-CG2 3.46Å; Y182-I308 HydrophobicContact CD2-CD1 4.38Å; Y182-I308 HydrophobicContact CE2-CD1 3.52Å; Y182-I310 HydrophobicContact CD1-CG1 4.16Å; Y182-I310 HydrophobicContact CD2-CD1 3.49Å; Y182-I310 VanDerWaalsContact CD2-CD1 3.49Å; Y182-I310 HydrophobicContact CD2-CG1 3.98Å; Y182-I310 HydrophobicContact CE2-CD1 4.02Å; Y182-I310 HydrophobicContact CG-CD1 3.78Å; Y182-I310 HydrophobicContact CG-CG1 3.71Å
183S91.2Very high94.4Very high91 Ų9164.2 Ų64.264%0.63633%0.328SS*.  trans-96.1-21.7174.159.60000113.1R136R136-S183 WeakPolarHBondContact CD-O 3.19Å
184T91.8Very high94.5Very high68 Ų6863 Ų6342%0.41732%0.321SS..SBendtrans-102.4147.3-179.553.60000111.2M188 I310T184-M188 VanDerWaalsContact OG1-CE 3.23Å; T184-M188 WeakPolarHBondContact OG1-CE 3.27Å; T184-I310 WeakPolarHBondContact O-CG2 3.26Å
185L92.3Very high94.6Very high74 Ų7457.3 Ų57.339%0.38730%0.295SS..  trans-87.3155.5175.7-60.6172.8000110.3R136 I310 V311 E312R136-L185 HydrophobicContact CB-CD2 3.87Å; R136-L185 HydrophobicContact CG-CD2 4.29Å; L185-I310 HydrophobicContact CD2-CG2 4.47Å; L185-V311 VanDerWaalsContact CD2-C 3.47Å; L185-E312 HydrophobicContact CD1-CG 3.4Å; L185-E312 HydrophobicContact CD2-CB 4.44Å; L185-E312 HydrophobicContact CD2-CG 3.65Å; L185-E312 HydrophobicContact CG-CG 4.14Å
186G91.2Very high94.8Very high30 Ų3047.7 Ų47.731%0.30926%0.259SS..EExtended strand (participates in β ladder)trans119.5-167.5172.800000113.6I310G186-I310 PolarHBondContact N-O 2.68Å; G186-I310 PolarHBondContact O-N 2.78Å
187R93.4Very high94.7Very high180 Ų18043.3 Ų43.368%0.67924%0.239SC*.EExtended strand (participates in β ladder)trans-91.5123.2-175.1-168.4177.2-175.11781.5110.3N307 I308R187-N307 PolarHBondContact NH2-ND2 2.88Å; R187-I308 CarbonylContact C-O 3.56Å; R187-I308 WeakPolarHBondContact CA-O 3.41Å
188M93.8Very high94.6Very high20 Ų2040.4 Ų40.410%0.09922%0.22CC..EExtended strand (participates in β ladder)trans-112.3139179.3-54.9-58.1171.900110Y182 T184 N307 I308 I310Y182-M188 HydrophobicContact CD1-CG 3.95Å; Y182-M188 HydrophobicContact CE1-CB 4.03Å; Y182-M188 HydrophobicContact CE1-CG 3.64Å; Y182-M188 HydrophobicContact CE1-SD 4.5Å; T184-M188 VanDerWaalsContact OG1-CE 3.23Å; T184-M188 WeakPolarHBondContact OG1-CE 3.27Å; M188-N307 CarbonylContact O-C 3.56Å; M188-N307 WeakPolarHBondContact O-CA 3.34Å; M188-I308 HydrophobicContact CB-CD1 4.5Å; M188-I308 HydrophobicContact CB-CG1 3.91Å; M188-I308 PolarHBondContact N-O 3.32Å; M188-I308 PolarHBondContact O-N 2.88Å; M188-I310 HydrophobicContact CG-CG1 4.09Å
189N94.6Very high94.4Very high46 Ų4643.6 Ų43.625%0.24624%0.241CC..EExtended strand (participates in β ladder)trans-105.676.5177.8-178.7-92.8000110.2R166 K191 S305 G306 N307R166-N189 WeakPolarHBondContact CD-O 3.36Å; R166-N189 HydrophobicContact CG-CB 4.36Å; R166-N189 WeakPolarHBondContact CG-O 3.26Å; N189-K191 PolarHBondContact O-N 3.03Å; N189-K191 WeakPolarHBondContact OD1-CE 3.27Å; N189-S305 PolarHBondContact ND2-OG 2.77Å; N189-S305 PolarHBondContact OD1-OG 2.93Å; N189-G306 CarbonylContact C-O 3.57Å; N189-G306 WeakPolarHBondContact CA-O 3.38Å; N189-N307 WeakPolarHBondContact CB-OD1 3.33Å; N189-N307 PolarHBondContact ND2-OD1 3.05Å
190V95.8Very high94.1Very high0 Ų043.2 Ų43.20%024%0.238CC..EExtended strand (participates in β ladder)trans-58.6132.6-177.3-172.30000110.1F142 W163 F165 Y182 S305 G306 I308F142-V190 HydrophobicContact CE1-CG1 4.08Å; F142-V190 HydrophobicContact CE1-CG2 4.11Å; F142-V190 HydrophobicContact CZ-CG2 4.46Å; W163-V190 HydrophobicContact CE3-CG1 4.04Å; W163-V190 HydrophobicContact CZ3-CG1 4.13Å; F165-V190 HydrophobicContact CD1-CG1 4.03Å; F165-V190 HydrophobicContact CE1-CG1 4.44Å; Y182-V190 WeakPolarHBondContact OH-CG2 3.46Å; V190-S305 CarbonylContact O-C 3.5Å; V190-S305 VanDerWaalsContact O-CA 3.3Å; V190-S305 WeakPolarHBondContact O-CA 3.5Å; V190-G306 PolarHBondContact N-O 2.77Å; V190-G306 PolarHBondContact O-N 3.44Å; V190-I308 HydrophobicContact CG2-CD1 3.72Å; V190-I308 HydrophobicContact CG2-CG1 4.01Å
191K97Very high93.6Very high81 Ų8151.2 Ų51.235%0.35228%0.276SS..EExtended strand (participates in β ladder)trans-119.2141.8175.2-65.6-177.9179.5-174.60110.2D164 N189 F304D164-K191 HydrophobicContact CB-CB 4.24Å; D164-K191 PolarHBondContact N-O 2.82Å; D164-K191 PolarHBondContact O-N 2.76Å; N189-K191 PolarHBondContact O-N 3.03Å; N189-K191 WeakPolarHBondContact OD1-CE 3.27Å; K191-F304 WeakPolarHBondContact CA-O 3.37Å
192L97.4Very high93Very high1 Ų150.5 Ų50.51%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-131.7135.7173.6164.766.5000108.6L117 V119 V144 Y161 I162 W163 V194 T303 F304L117-L192 HydrophobicContact CD1-CD2 3.66Å; V119-L192 HydrophobicContact CG2-CD2 3.76Å; V144-L192 HydrophobicContact CG1-CD2 4.21Å; V144-L192 HydrophobicContact CG2-CD2 3.56Å; Y161-L192 HydrophobicContact CD1-CD1 4.39Å; I162-L192 WeakPolarHBondContact O-CA 3.44Å; W163-L192 HydrophobicContact CD2-CB 4.33Å; W163-L192 HydrophobicContact CD2-CD1 3.86Å; W163-L192 HydrophobicContact CE3-CB 3.89Å; W163-L192 HydrophobicContact CE3-CD1 4.28Å; W163-L192 HydrophobicContact CG-CD1 4.26Å; W163-L192 HydrophobicContact CH2-CB 4.25Å; W163-L192 HydrophobicContact CH2-CD1 4.39Å; W163-L192 HydrophobicContact CH2-CD2 3.7Å; W163-L192 HydrophobicContact CH2-CG 4.33Å; W163-L192 HydrophobicContact CZ2-CD1 3.99Å; W163-L192 HydrophobicContact CZ2-CD2 3.83Å; W163-L192 HydrophobicContact CZ2-CG 4.37Å; W163-L192 HydrophobicContact CZ3-CB 3.84Å; W163-L192 HydrophobicContact CZ3-CD2 4.16Å; W163-L192 HydrophobicContact CZ3-CG 4.4Å; L192-V194 HydrophobicContact CD1-CG2 4.27Å; L192-V194 HydrophobicContact CD2-CG2 4Å; L192-V194 HydrophobicContact CG-CG2 4.06Å; L192-T303 CarbonylContact O-C 3.57Å; L192-T303 VanDerWaalsContact O-CA 3.3Å; L192-T303 WeakPolarHBondContact O-CA 3.1Å; L192-F304 HydrophobicContact CB-CB 4.21Å; L192-F304 HydrophobicContact CB-CD1 4.37Å; L192-F304 PolarHBondContact N-O 3.48Å; L192-F304 PolarHBondContact O-N 3.13Å
193V97.5Very high92.4Very high52 Ų5254.4 Ų54.432%0.31530%0.298SS..EExtended strand (participates in β ladder)trans-116.8122.3164.6-177.10000108.2I162 Y301 G302 T303I162-V193 HydrophobicContact CB-CB 4.31Å; I162-V193 PolarHBondContact N-O 2.87Å; I162-V193 PolarHBondContact O-N 3.09Å; V193-Y301 HydrophobicContact CG1-CD1 4.21Å; V193-G302 CarbonylContact C-O 3.49Å; V193-G302 WeakPolarHBondContact CA-O 3.36Å; V193-T303 HydrophobicContact CG2-CG2 4.3Å
194V97.6Very high91.6Very high0 Ų055.8 Ų55.80%031%0.306CS..EExtended strand (participates in β ladder)trans-94.9123.3170.6-175.60000107.4I115 L117 L146 V159 D160 Y161 L192 Y301 G302I115-V194 HydrophobicContact CD1-CG1 4.17Å; L117-V194 HydrophobicContact CD1-CG2 4.16Å; L117-V194 HydrophobicContact CD2-CB 4.5Å; L117-V194 HydrophobicContact CD2-CG2 3.92Å; L146-V194 HydrophobicContact CD2-CG1 4.3Å; L146-V194 HydrophobicContact CD2-CG2 4.33Å; V159-V194 HydrophobicContact CG1-CG1 3.81Å; D160-V194 CarbonylContact O-C 3.45Å; D160-V194 WeakPolarHBondContact O-CA 3.39Å; Y161-V194 HydrophobicContact CD1-CG1 4.29Å; Y161-V194 HydrophobicContact CD1-CG2 3.79Å; Y161-V194 HydrophobicContact CE1-CG1 4.08Å; Y161-V194 HydrophobicContact CE1-CG2 4.04Å; L192-V194 HydrophobicContact CD1-CG2 4.27Å; L192-V194 HydrophobicContact CD2-CG2 4Å; L192-V194 HydrophobicContact CG-CG2 4.06Å; V194-Y301 CarbonylContact O-C 3.54Å; V194-Y301 VanDerWaalsContact O-CA 3.28Å; V194-Y301 WeakPolarHBondContact O-CA 3.42Å; V194-G302 PolarHBondContact N-O 2.84Å; V194-G302 PolarHBondContact O-N 3.26Å
195E96.6Very high90.1Very high25 Ų2559 Ų5912%0.11733%0.325CS..EExtended strand (participates in β ladder)trans-115.5120.7176.7179174.481.600108.8V159 D160 Y299 Y301V159-E195 CarbonylContact C-O 3.5Å; V159-E195 WeakPolarHBondContact CA-O 3.49Å; D160-E195 PolarHBondContact N-O 2.78Å; D160-E195 PolarHBondContact O-N 2.9Å; E195-Y299 HydrophobicContact CG-CD1 3.59Å; E195-Y299 HydrophobicContact CG-CE1 4.18Å; E195-Y301 HydrophobicContact CB-CD1 4.16Å; E195-Y301 HydrophobicContact CB-CE1 3.92Å; E195-Y301 HydrophobicContact CG-CD1 4.23Å; E195-Y301 HydrophobicContact CG-CE1 3.58Å; E195-Y301 WeakPolarHBondContact OE2-CE1 3.37Å; E195-Y301 VanDerWaalsContact OE2-CZ 3.31Å; E195-Y301 PolarHBondContact OE2-OH 2.87Å
196A96.1Very high88.2Confident0 Ų060.6 Ų60.60%034%0.343CS..EExtended strand (participates in β ladder)trans-112.9127.7174.800000110.2I115 L153 A156 S158 V159 F198 Y299 A300I115-A196 HydrophobicContact CD1-CB 3.78Å; L153-A196 HydrophobicContact CD2-CB 4.25Å; A156-A196 HydrophobicContact CB-CB 4.35Å; S158-A196 WeakPolarHBondContact O-CA 3.13Å; V159-A196 HydrophobicContact CG2-CB 4.11Å; A196-F198 HydrophobicContact CB-CE2 3.82Å; A196-F198 HydrophobicContact CB-CZ 4.28Å; A196-Y299 CarbonylContact O-C 3.6Å; A196-Y299 VanDerWaalsContact O-CA 3.31Å; A196-Y299 WeakPolarHBondContact O-CA 3.47Å; A196-A300 PolarHBondContact N-O 3.06Å; A196-A300 PolarHBondContact O-N 2.98Å
197A94.1Very high85.8Confident3 Ų363.4 Ų63.43%0.02536%0.363CS..EExtended strand (participates in β ladder)trans-104120.2-177.900000110.9A156 A157 S158 F297 Y299A156-A197 CarbonylContact C-O 3.59Å; A156-A197 WeakPolarHBondContact CA-O 3.37Å; A156-A197 WeakPolarHBondContact CB-O 3.31Å; A157-A197 PolarHBondContact N-O 2.8Å; S158-A197 PolarHBondContact O-N 2.65Å; A197-F297 HydrophobicContact CB-CB 4.39Å; A197-F297 HydrophobicContact CB-CD1 3.96Å; A197-F297 HydrophobicContact CB-CG 4.38Å; A197-Y299 HydrophobicContact CB-CD1 3.94Å; A197-Y299 HydrophobicContact CB-CE1 3.57Å
198F92.7Very high83.6Confident12 Ų1260.3 Ų60.35%0.05336%0.364CS..EExtended strand (participates in β ladder)trans-107.6126.6178.1-64-90.3000110.1Y152 L153 T155 A156 A196 V200 F297 R298 A300Y152-F198 HydrophobicContact CD1-CE1 4.07Å; Y152-F198 AromaticContact CD1-CZ 3.84Å; Y152-F198 HydrophobicContact CD1-CZ 3.84Å; Y152-F198 HydrophobicContact CE1-CD1 4.41Å; Y152-F198 AromaticContact CE1-CE1 3.59Å; Y152-F198 HydrophobicContact CE1-CE1 3.59Å; Y152-F198 HydrophobicContact CE1-CE2 4.03Å; Y152-F198 AromaticContact CE1-CZ 3.36Å; Y152-F198 HydrophobicContact CE1-CZ 3.36Å; Y152-F198 HydrophobicContact CE2-CE1 4.15Å; Y152-F198 AromaticContact CZ-CE1 3.62Å; Y152-F198 AromaticContact CZ-CZ 3.86Å; L153-F198 HydrophobicContact CD2-CZ 4.1Å; T155-F198 WeakPolarHBondContact OG1-CE1 3.45Å; A156-F198 HydrophobicContact CB-CD1 4.06Å; A156-F198 HydrophobicContact CB-CE1 3.76Å; A156-F198 HydrophobicContact CB-CE2 4.38Å; A156-F198 HydrophobicContact CB-CG 4.5Å; A156-F198 HydrophobicContact CB-CZ 3.93Å; A196-F198 HydrophobicContact CB-CE2 3.82Å; A196-F198 HydrophobicContact CB-CZ 4.28Å; F198-V200 PolarHBondContact O-N 2.88Å; F198-F297 CarbonylContact O-C 3.57Å; F198-F297 VanDerWaalsContact O-CA 3.26Å; F198-F297 WeakPolarHBondContact O-CA 3.45Å; F198-R298 PolarHBondContact N-O 2.79Å; F198-R298 PolarHBondContact O-N 2.81Å; F198-A300 HydrophobicContact CE2-CB 3.91Å
199P91.2Very high81.2Confident84 Ų8464.9 Ų64.955%0.54540%0.395SS..EExtended strand (participates in β ladder)trans-64.6133.3176.927.9-33000109.7F297P199-F297 HydrophobicContact CB-CE1 4.37Å
200V88.9Confident79Confident52 Ų5268.8 Ų68.832%0.31542%0.421SS..EExtended strand (participates in β ladder)trans-136.4151.1177.7-67.20000109.9F198 C202 L286 C296 R298F198-V200 PolarHBondContact O-N 2.88Å; V200-C202 PolarHBondContact O-N 2.8Å; V200-L286 HydrophobicContact CG2-CD2 3.63Å; V200-C296 HydrophobicContact CG2-CB 3.98Å; V200-C296 WeakPolarHBondContact CG2-O 2.77Å; V200-C296 PolarHBondContact N-O 3.43Å; V200-C296 WeakPolarHBondContact O-CB 3.44Å; V200-C296 VanDerWaalsContact O-O 3.06Å; V200-R298 HydrophobicContact CG1-CB 3.73Å; V200-R298 HydrophobicContact CG2-CB 4.29Å
201E85.1Confident76.6Confident189 Ų18974.3 Ų74.388%0.88346%0.457SS*.PPolyproline II helixtrans-61.3131.5172.2-67.9-179.5-177.100109.5
202C81.4Confident74Confident52 Ų5282.1 Ų82.135%0.35148%0.484SS..PPolyproline II helixtrans-63141.1175.9-71.70000110V200 C296V200-C202 PolarHBondContact O-N 2.8Å; C202-C296 WeakPolarHBondContact CA-SG 3.44Å; C202-C296 HydrophobicContact CB-CB 4.01Å; C202-C296 WeakPolarHBondContact CB-SG 3.33Å; C202-C296 WeakPolarHBondContact SG-CB 3.48Å; C202-C296 PolarHBondContact SG-N 2.84Å; C202-C296 CovalentContact SG-SG 2.04Å; C202-C296 PolarHBondContact SG-SG 2.99Å
203P80.5Confident71Confident82 Ų8292.9 Ų92.953%0.53253%0.525SS..PPolyproline II helixtrans-52.2136.2172.5-21.230.4000109.3T205P203-T205 PolarHBondContact O-N 3.42Å; P203-T205 VanDerWaalsContact O-N 3.14Å
204P74.6Confident68.3Low121 Ų12196 Ų9679%0.78655%0.546SS*.PPolyproline II helixtrans-57.5126176.323.4-31.8000108.1S206P204-S206 PolarHBondContact O-N 2.82Å
205T60.4Low65.5Low134 Ų134102.8 Ų102.882%0.82259%0.588SS**  trans-52.9107.2174.2-46.90000107.1P203 A207P203-T205 PolarHBondContact O-N 3.42Å; P203-T205 VanDerWaalsContact O-N 3.14Å; T205-A207 PolarHBondContact O-N 2.92Å
206S51.9Low62.8Low109 Ų109106.5 Ų106.576%0.76262%0.617SS**  trans-56.4113.2172.5-153.60000105.3P204 T208P204-S206 PolarHBondContact O-N 2.82Å; S206-T208 PolarHBondContact O-N 3.37Å
207A42.1Very low60Low89 Ų89111.9 Ų111.974%0.73665%0.651SS**  trans-56.6109.3-176.600000107.6T205 P209T205-A207 PolarHBondContact O-N 2.92Å; A207-P209 VanDerWaalsContact O-N 3.13Å
208T46.9Very low57.3Low114 Ų114118 Ų11870%0.69969%0.69SS**  trans-46.5121.7166.7-62.30000106.9S206 T210S206-T208 PolarHBondContact O-N 3.37Å; T208-T210 PolarHBondContact O-N 2.75Å
209P43.6Very low54.5Low116 Ų116125.1 Ų125.175%0.75373%0.729SS**  trans-59.1116.3171.824-30.1000106.2A207A207-P209 VanDerWaalsContact O-N 3.13Å
210T46.6Very low51.8Low128 Ų128127.1 Ų127.179%0.78574%0.739SS**  trans-45.5124.7177.8-9.70000108.3T208 R212T208-T210 PolarHBondContact O-N 2.75Å; T210-R212 PolarHBondContact O-N 2.85Å
211P45.7Very low49.1Very low116 Ų116129.2 Ų129.275%0.75376%0.762SS**  trans-63.2111.8171.523.5-27.5000106.3R213P211-R213 PolarHBondContact O-N 2.99Å
212R42.8Very low46.5Very low245 Ų245124.7 Ų124.793%0.92576%0.757SS**  trans-54.9107.8169.5-112.5-178.8-179.7176.50.4106.5T210T210-R212 PolarHBondContact O-N 2.85Å
213R35.2Very low44.5Very low227 Ų227127.7 Ų127.786%0.85778%0.776SS**PPolyproline II helixtrans-51.9127.7169.9-174.2177.4-177.7-174.30.8107.9P211 T215P211-R213 PolarHBondContact O-N 2.99Å; R213-T215 PolarHBondContact O-N 2.95Å; R213-T215 VanDerWaalsContact O-N 3.16Å
214P39.7Very low42Very low119 Ų119130 Ų13077%0.77379%0.789SS**PPolyproline II helixtrans-65.6117.8174.424.4-28.9000108.3S216P214-S216 PolarHBondContact O-N 3.49Å
215T39.2Very low39.7Very low142 Ų142130.2 Ų130.287%0.87179%0.788SS**PPolyproline II helixtrans-63.9120.3167.3-5.30000107.7R213R213-T215 PolarHBondContact O-N 2.95Å; R213-T215 VanDerWaalsContact O-N 3.16Å
216S38.9Very low39Very low103 Ų103129.3 Ų129.372%0.7278%0.784SS**PPolyproline II helixtrans-62.4143.3173.3580000110.5P214P214-S216 PolarHBondContact O-N 3.49Å
217P38.3Very low38.4Very low112 Ų112129.5 Ų129.573%0.72778%0.783SS**PPolyproline II helixtrans-71.7154.8178.230-33.2000111.6
218P37.6Very low37.7Very low131 Ų131129.6 Ų129.685%0.85178%0.783SS**PPolyproline II helixtrans-72.9140.7172016.8000110.4
219L32.5Very low36.8Very low163 Ų163129 Ų12985%0.85378%0.78SS**PPolyproline II helixtrans-74.7134.9173.9-95.1160.9000111.5
220T35.1Very low36.3Very low126 Ų126131.4 Ų131.477%0.77378%0.781SS**  trans79.7105.2143.7-39.10000118.8
221A32.8Very low35.5Very low96 Ų96129.5 Ų129.579%0.79378%0.778SS**  -179.5123.2105.900000110.8
222A31.2Very low34.8Very low93 Ų93129.9 Ų129.977%0.76978%0.778SS**  trans-75.3160.5155.300000108.2
223P38.8Very low34.1Very low116 Ų116123 Ų12375%0.75376%0.763SS**  cis-148.2179.336.735.5-11.6000117.8
224T28.3Very low33.8Very low131 Ų131118.2 Ų118.280%0.80476%0.759SS**  trans96.6112.5147-90000119.6
225T26.2Very low33.2Very low125 Ų125121.1 Ų121.177%0.76776%0.76SS**  trans-72.6-176.8157.837.80000111.9
226P44.8Very low33.1Very low114 Ų114121.7 Ų121.774%0.7476%0.756SS**  cis-130.2-144.4-26.135.6-13.1000108.8
227P39.8Very low32.5Very low114 Ų114125.3 Ų125.374%0.7476%0.759SS**  cis-132.6-172.5-19.832.9-10.7000114.6
228A27.2Very low32.2Very low90 Ų90125.2 Ų125.274%0.74476%0.756SS**  trans91.7142.8152.200000118.8
229T28.4Very low31.7Very low103 Ų103125 Ų12563%0.63275%0.752SS**  cis-170.5163.1-17.9-63.70000106.3
230H34.2Very low31.7Very low166 Ų166124.1 Ų124.177%0.76975%0.748SS**  trans93.5103.9160.2-54.5-72000116
231A29Very low31.4Very low88 Ų88122.3 Ų122.373%0.72775%0.746SS**  69.9128.870.500000110.5
232V30.6Very low31.8Very low123 Ų123123.6 Ų123.675%0.74575%0.746SS**  -165.6129.251169.20000106.4
233T28.4Very low32.6Very low101 Ų101124.7 Ų124.762%0.6275%0.745SS**  52.7125.398.3-24.50000113.8
234T28Very low32Very low126 Ų126131.2 Ų131.277%0.77376%0.755SS**  -167.5126.271.3240000109.6
235K28.8Very low32Very low180 Ų180131.4 Ų131.478%0.78376%0.756SS**  63.311770-89.1-167.2-177.5-179.40112.7
236I35.3Very low32.1Very low155 Ų155130.6 Ų130.680%0.79576%0.755SS**  166.7154.886.5-94.2139.2000106.7
237K27.2Very low31.6Very low179 Ų179134.5 Ų134.578%0.77876%0.764SS**  cis-177.2146.2-12.8178.6-177173.2-177.10108.1
238T32.3Very low32.1Very low109 Ų109134.1 Ų134.167%0.66976%0.761SS**  trans-52.4162.3166.9-40.80000116.9
239T27.2Very low32.1Very low126 Ų126137.1 Ų137.177%0.77377%0.77SS**  trans-166.8106.1135.7-59.80000107.8
240L31.9Very low32Very low146 Ų146139 Ų13976%0.76478%0.776SS**  71.6107.184.2-79166.8000117.7
241A28.2Very low31.7Very low87 Ų87136.4 Ų136.472%0.71978%0.777SS**  21.4155.813000000120.8
242P41Very low31.7Very low123 Ų123137.3 Ų137.380%0.79978%0.778SS**  cis-152.5-174.749.640.9-16.5000117.5
243P49.2Very low31.6Very low116 Ų116137.4 Ų137.475%0.75378%0.779SS**  trans-108173.2-165.140-30000114.3
244R25.9Very low31.6Very low253 Ų253141 Ų14196%0.95579%0.794SS**  trans-166.4149.3150.9-108.7167.4-163.2-1574.5115
245T28Very low31.5Very low135 Ų135140.3 Ų140.383%0.82879%0.794SS**  trans-88.6154.3-171.3-11.30000113.4
246S28.8Very low31.5Very low108 Ų108136.3 Ų136.376%0.75579%0.794SS**  168.6116.3125.459.90000115
247Q34.3Very low31.2Very low196 Ų196135.6 Ų135.692%0.91680%0.797SS**  53157.5129.5-79.7-171.4-31.400125.2
248P49.9Very low31.1Very low107 Ų107133.5 Ų133.570%0.69580%0.799SS**  trans-113.9165.6-155.141.8-30.1000114.8
249V27.1Very low30.9Very low152 Ų152135 Ų13592%0.92181%0.808SS**  trans-145.9142161-175.10000112
250N26.4Very low30.8Very low143 Ų143133.5 Ų133.577%0.76581%0.808SS**  trans-80.1169.1-169.5-82.6-17.1000117.7
251S27.2Very low30.5Very low112 Ų112132.8 Ų132.878%0.78381%0.81SS**  trans77.2142.7146.2-61.30000117
252S29.9Very low30.4Very low106 Ų106135.3 Ų135.374%0.74182%0.817SS**  cis-167.715219.535.50000112
253T27.9Very low29.7Very low125 Ų125133.1 Ų133.177%0.76782%0.817SS**  trans-12.5145.415454.30000122
254L29.8Very low28.6Very low178 Ų178135.3 Ų135.393%0.93282%0.822SS**  trans-164144130.2-103.5147.9000111.8
255S25.7Very low28.7Very low111 Ų111129.1 Ų129.178%0.77681%0.814SS**  trans-110.5157-174.5-64.70000113.4
256A28.2Very low28.5Very low96 Ų96129.2 Ų129.279%0.79381%0.814SS**  trans78.6128.5150.700000119.7
257V30.1Very low28.4Very low140 Ų140130.1 Ų130.185%0.84882%0.816SS**  -174.1139.7112.7155.50000109.2
258T24.9Very low28.1Very low134 Ų134129.2 Ų129.282%0.82281%0.812SS**  trans-93.4137.6-178.5-16.80000111.4
259T26.6Very low27.3Very low142 Ų142129.4 Ų129.487%0.87181%0.813SS**  trans-147.4133.7154.242.70000109.8
260A26Very low27Very low93 Ų93130.5 Ų130.577%0.76981%0.813SS**  trans-102.4135.2-175.100000111.8
261T24.6Very low26.9Very low132 Ų132131.2 Ų131.281%0.8182%0.816SS**  trans-165129139.6-21.60000112.1
262T27Very low26.8Very low139 Ų139130.9 Ų130.985%0.85381%0.813SS**  trans35.3117.7149.446.70000121.6
263G25.7Very low26.5Very low78 Ų78132.4 Ų132.480%0.80482%0.818SS**  trans179.7129.8160.700000113
264L27Very low26.5Very low162 Ų162131.5 Ų131.585%0.84881%0.812SS**  trans-43.9145.5177-166.769.2000114.8T266L264-T266 PolarHBondContact O-N 2.92Å
265P28.1Very low26.2Very low123 Ų123128 Ų12880%0.79981%0.809SS**PPolyproline II helixtrans-80.6117.1-173.631.4-30.6000111.7
266T23.8Very low26.2Very low136 Ų136128.3 Ų128.383%0.83481%0.806SS**PPolyproline II helixtrans-97.3144.5165.8-56.80000109.8L264L264-T266 PolarHBondContact O-N 2.92Å
267T27Very low26Very low128 Ų128132.4 Ų132.479%0.78581%0.809SS**PPolyproline II helixtrans-54.3152.7-179.1-50.30000115.5
268E28.1Very low25.9Very low177 Ų177131.1 Ų131.183%0.82781%0.807SS**  trans99.9156.6151.6-120.3-170166.900119.1
269P31.3Very low25.9Very low111 Ų111131.3 Ų131.372%0.72180%0.803SS**  -115166.6-79.434.2-21.1000112
270L22.2Very low26.4Very low175 Ų175129.7 Ų129.792%0.91679%0.794SS**  trans-128133.4167.5-131137.5000112.7
271L23.4Very low26.9Very low158 Ų158131.2 Ų131.283%0.82779%0.794SS**  trans-59.8135-164.4-13277.6000113.9
272S24.7Very low27.3Very low104 Ų104130.1 Ų130.173%0.72779%0.787SS**  trans-66.1129.8163.7-37.70000110.2
273T23.9Very low27.7Very low139 Ų139129.5 Ų129.585%0.85378%0.778SS**  trans-104.6119.4155.1-63.10000108.1
274V27.9Very low28.6Very low105 Ų105130.7 Ų130.764%0.63677%0.772SS**  trans-71.3130.5-173.4171.80000110.7T276V274-T276 WeakPolarHBondContact CG1-OG1 3.27Å
275A24.5Very low29.3Very low106 Ų106125.9 Ų125.988%0.87674%0.742SS**  trans-117.3112.1141.800000106.3
276T25.7Very low30.1Very low116 Ų116123.4 Ų123.471%0.71272%0.722SS**  trans-76.8161.7-173.3-39.10000111.5V274V274-T276 WeakPolarHBondContact CG1-OG1 3.27Å
277E24Very low31.5Very low182 Ų182124.9 Ų124.985%0.8571%0.712SS**  trans107.9112.8163.9-62.1-179.8176.400112.4
278S27.9Very low32.4Very low114 Ų114123.3 Ų123.380%0.79771%0.707SS**  cis-167.3136.14.649.70000106.7
279N24.6Very low33.2Very low138 Ų138122.6 Ų122.674%0.73870%0.696SS**  trans-107.7140165.7-152.914.4000107.7T281N279-T281 PolarHBondContact OD1-N 2.83Å
280P36Very low33.8Very low108 Ų108121 Ų12170%0.70170%0.7SS**  -134.4121.2103.532.1-18.3000112.8
281T37.9Very low35Very low124 Ų124118.7 Ų118.776%0.76169%0.688SS**  trans52.768.7140.3-26.60000116.3N279N279-T281 PolarHBondContact OD1-N 2.83Å
282T33.4Very low36.1Very low109 Ų109117.2 Ų117.267%0.66968%0.681SS**  trans-142.7130.8149.6-450000108.2
283L35.5Very low37.6Very low127 Ų127117.3 Ų117.367%0.66569%0.688SS**  trans-52.3134.5-178-71.8156.3000110.3W285L283-W285 HydrophobicContact CB-CB 4.49Å; L283-W285 PolarHBondContact O-N 3.28Å
284P44.5Very low39.6Very low102 Ų102117.6 Ų117.666%0.66268%0.684SS**THydrogen-bonded Turntrans-64.812.1-177.824.4-33000115.3
285W41.5Very low41.9Very low61 Ų61117.6 Ų117.623%0.23168%0.677CS.*THydrogen-bonded Turntrans-101.1-12.2-169.5-67.172000113.8D113 L283 Y299D113-W285 HydrophobicContact CB-CH2 3.85Å; D113-W285 HydrophobicContact CB-CZ2 4.49Å; D113-W285 WeakPolarHBondContact OD2-CH2 3.48Å; D113-W285 WeakPolarHBondContact OD2-CZ2 3.41Å; L283-W285 HydrophobicContact CB-CB 4.49Å; L283-W285 PolarHBondContact O-N 3.28Å; W285-Y299 WeakPolarHBondContact CZ3-O 3.23Å; W285-Y299 PolarHBondContact O-N 2.66Å; W285-Y299 VanDerWaalsContact O-N 3.16Å
286L44.9Very low44.9Very low72 Ų72113.5 Ų113.538%0.37764%0.642SS.*EExtended strand (participates in β ladder)trans-109.6109176-81.3147.9000108V200V200-L286 HydrophobicContact CG2-CD2 3.63Å
287R53.1Low47.9Very low166 Ų166109.5 Ų109.563%0.62662%0.615SS**EExtended strand (participates in β ladder)trans-119.3122.8168.8-106.3-175.9-90.6-169-2.9108.1R289 Y299R287-R289 PolarHBondContact O-N 3.15Å; R287-R289 VanDerWaalsContact O-N 3.16Å; R287-Y299 HydrophobicContact CB-CD2 4.48Å; R287-Y299 HydrophobicContact CB-CE2 3.99Å; R287-Y299 WeakPolarHBondContact O-CE2 3.38Å
288S45.8Very low51.1Low96 Ų96107.1 Ų107.167%0.67160%0.598SS**  trans-72.9100.3164.155.30000107.4G290S288-G290 PolarHBondContact O-N 3.19Å
289R44.3Very low54.1Low161 Ų161102.3 Ų102.361%0.60856%0.563SS**  trans-72.7116.3166.3-166179.5-100.8-121.88.6106R287 L291R287-R289 PolarHBondContact O-N 3.15Å; R287-R289 VanDerWaalsContact O-N 3.16Å; R289-L291 PolarHBondContact O-N 3.21Å
290G43.1Very low57.4Low77 Ų7796.5 Ų96.579%0.79453%0.534SS*.SBendtrans-68.170-172.800000113.9S288S288-G290 PolarHBondContact O-N 3.19Å
291L47.7Very low60.2Low127 Ų12793.6 Ų93.667%0.66551%0.509SS*.SBendtrans-13090.9166.2-73.5162.1000105R289R289-L291 PolarHBondContact O-N 3.21Å
292N47.5Very low63Low128 Ų12887.7 Ų87.768%0.68447%0.473SS*.SBendtrans72.7119.7-170.2-56.2-27.6000115N294N292-N294 PolarHBondContact O-N 3.31Å
293A56.1Low66.1Low106 Ų10687.3 Ų87.388%0.87647%0.471SS*.THydrogen-bonded Turntrans-679.5-170.500000116.2
294N65.5Low69Low144 Ų14483.4 Ų83.477%0.7745%0.448SS*.THydrogen-bonded Turntrans-120.1-3.2-172-64.51.4000114.1N292N292-N294 PolarHBondContact O-N 3.31Å
295E77Confident71.4Confident105 Ų10581.9 Ų81.949%0.49144%0.44SS..  trans-108.2113.4-177.4-66.2-179.8-16700110.7F297E295-F297 HydrophobicContact CB-CE2 3.75Å; E295-F297 HydrophobicContact CB-CZ 4.13Å
296C86.8Confident74Confident20 Ų2079.5 Ų79.514%0.13544%0.435CS..EExtended strand (participates in β ladder)trans-101.1138.6174.1-700000109.9V200 C202V200-C296 HydrophobicContact CG2-CB 3.98Å; V200-C296 WeakPolarHBondContact CG2-O 2.77Å; V200-C296 PolarHBondContact N-O 3.43Å; V200-C296 WeakPolarHBondContact O-CB 3.44Å; V200-C296 VanDerWaalsContact O-O 3.06Å; C202-C296 WeakPolarHBondContact CA-SG 3.44Å; C202-C296 HydrophobicContact CB-CB 4.01Å; C202-C296 WeakPolarHBondContact CB-SG 3.33Å; C202-C296 WeakPolarHBondContact SG-CB 3.48Å; C202-C296 PolarHBondContact SG-N 2.84Å; C202-C296 CovalentContact SG-SG 2.04Å; C202-C296 PolarHBondContact SG-SG 2.99Å
297F89.6Confident76.3Confident32 Ų3279.8 Ų79.814%0.1444%0.436CS..EExtended strand (participates in β ladder)trans-122.4137.5179-64.2-87.4000110.6A157 A197 F198 P199 E295 Y299A157-F297 HydrophobicContact CB-CD1 4.39Å; A157-F297 HydrophobicContact CB-CE1 3.72Å; A197-F297 HydrophobicContact CB-CB 4.39Å; A197-F297 HydrophobicContact CB-CD1 3.96Å; A197-F297 HydrophobicContact CB-CG 4.38Å; F198-F297 CarbonylContact O-C 3.57Å; F198-F297 VanDerWaalsContact O-CA 3.26Å; F198-F297 WeakPolarHBondContact O-CA 3.45Å; P199-F297 HydrophobicContact CB-CE1 4.37Å; E295-F297 HydrophobicContact CB-CE2 3.75Å; E295-F297 HydrophobicContact CB-CZ 4.13Å; F297-Y299 HydrophobicContact CB-CD2 4.42Å; F297-Y299 HydrophobicContact CB-CE2 3.74Å
298R90.4Very high78.3Confident132 Ų13272 Ų7250%0.49841%0.407SS..EExtended strand (participates in β ladder)trans-94.5130.4163176.5-178.5175.1-177-1.4108F198 V200F198-R298 PolarHBondContact N-O 2.79Å; F198-R298 PolarHBondContact O-N 2.81Å; V200-R298 HydrophobicContact CG1-CB 3.73Å; V200-R298 HydrophobicContact CG2-CB 4.29Å
299Y91.4Very high80.6Confident14 Ų1469.7 Ų69.76%0.05539%0.389CS..EExtended strand (participates in β ladder)trans-101.8139-179.6-66.2-88.2000112E195 A196 A197 W285 R287 F297 Y301E195-Y299 HydrophobicContact CG-CD1 3.59Å; E195-Y299 HydrophobicContact CG-CE1 4.18Å; A196-Y299 CarbonylContact O-C 3.6Å; A196-Y299 VanDerWaalsContact O-CA 3.31Å; A196-Y299 WeakPolarHBondContact O-CA 3.47Å; A197-Y299 HydrophobicContact CB-CD1 3.94Å; A197-Y299 HydrophobicContact CB-CE1 3.57Å; W285-Y299 WeakPolarHBondContact CZ3-O 3.23Å; W285-Y299 PolarHBondContact O-N 2.66Å; W285-Y299 VanDerWaalsContact O-N 3.16Å; R287-Y299 HydrophobicContact CB-CD2 4.48Å; R287-Y299 HydrophobicContact CB-CE2 3.99Å; R287-Y299 WeakPolarHBondContact O-CE2 3.38Å; F297-Y299 HydrophobicContact CB-CD2 4.42Å; F297-Y299 HydrophobicContact CB-CE2 3.74Å; Y299-Y301 WeakPolarHBondContact CB-OH 3.5Å
300A93.3Very high82.9Confident16 Ų1662.1 Ų62.113%0.13236%0.361CS..EExtended strand (participates in β ladder)trans-114.9146.6166.200000109.5I115 A196 F198I115-A300 HydrophobicContact CD1-CB 4.1Å; I115-A300 HydrophobicContact CG1-CB 4.09Å; A196-A300 PolarHBondContact N-O 3.06Å; A196-A300 PolarHBondContact O-N 2.98Å; F198-A300 HydrophobicContact CE2-CB 3.91Å
301Y95.9Very high85.1Confident47 Ų4760.8 Ų60.818%0.18434%0.337CS..EExtended strand (participates in β ladder)trans-128.3136-171-65.8-79000111.8K114 I115 V193 V194 E195 Y299K114-Y301 CarbonylContact C-O 3.57Å; K114-Y301 WeakPolarHBondContact CA-O 3.29Å; K114-Y301 WeakPolarHBondContact CB-O 3.27Å; K114-Y301 WeakPolarHBondContact CD-O 3.06Å; I115-Y301 PolarHBondContact N-O 3.01Å; V193-Y301 HydrophobicContact CG1-CD1 4.21Å; V194-Y301 CarbonylContact O-C 3.54Å; V194-Y301 VanDerWaalsContact O-CA 3.28Å; V194-Y301 WeakPolarHBondContact O-CA 3.42Å; E195-Y301 HydrophobicContact CB-CD1 4.16Å; E195-Y301 HydrophobicContact CB-CE1 3.92Å; E195-Y301 HydrophobicContact CG-CD1 4.23Å; E195-Y301 HydrophobicContact CG-CE1 3.58Å; E195-Y301 WeakPolarHBondContact OE2-CE1 3.37Å; E195-Y301 VanDerWaalsContact OE2-CZ 3.31Å; E195-Y301 PolarHBondContact OE2-OH 2.87Å; Y299-Y301 WeakPolarHBondContact CB-OH 3.5Å
302G96.5Very high86.9Confident0 Ų059.9 Ų59.90%033%0.33CS..EExtended strand (participates in β ladder)trans-120.5149.916600000110.1I115 V193 V194I115-G302 WeakPolarHBondContact O-CA 3.38Å; V193-G302 CarbonylContact C-O 3.49Å; V193-G302 WeakPolarHBondContact CA-O 3.36Å; V194-G302 PolarHBondContact N-O 2.84Å; V194-G302 PolarHBondContact O-N 3.26Å
303T96.8Very high88Confident101 Ų10156.1 Ų56.162%0.6231%0.312SS*.EExtended strand (participates in β ladder)trans-135142.3177.560.40000111.7L192 V193L192-T303 CarbonylContact O-C 3.57Å; L192-T303 VanDerWaalsContact O-CA 3.3Å; L192-T303 WeakPolarHBondContact O-CA 3.1Å; V193-T303 HydrophobicContact CG2-CG2 4.3Å
304F97.2Very high88.3Confident45 Ų4558.1 Ų58.120%0.19730%0.301CS..EExtended strand (participates in β ladder)trans-130.2143.4171.5165.3-91.1000110.4L117 V119 I121 K191 L192L117-F304 HydrophobicContact CD1-CB 3.74Å; L117-F304 HydrophobicContact CG-CB 4.45Å; V119-F304 HydrophobicContact CB-CD1 4.02Å; V119-F304 HydrophobicContact CB-CD2 4.17Å; V119-F304 HydrophobicContact CB-CE1 3.83Å; V119-F304 HydrophobicContact CB-CE2 3.98Å; V119-F304 HydrophobicContact CB-CG 4.19Å; V119-F304 HydrophobicContact CB-CZ 3.8Å; V119-F304 HydrophobicContact CG1-CE1 4.36Å; V119-F304 HydrophobicContact CG2-CB 4.04Å; V119-F304 HydrophobicContact CG2-CD1 3.58Å; V119-F304 HydrophobicContact CG2-CD2 3.91Å; V119-F304 HydrophobicContact CG2-CE1 3.94Å; V119-F304 HydrophobicContact CG2-CE2 4.23Å; V119-F304 HydrophobicContact CG2-CG 3.56Å; V119-F304 HydrophobicContact CG2-CZ 4.25Å; I121-F304 HydrophobicContact CD1-CZ 4.4Å; K191-F304 WeakPolarHBondContact CA-O 3.37Å; L192-F304 HydrophobicContact CB-CB 4.21Å; L192-F304 HydrophobicContact CB-CD1 4.37Å; L192-F304 PolarHBondContact N-O 3.48Å; L192-F304 PolarHBondContact O-N 3.13Å
305S96.1Very high87.9Confident69 Ų6956.3 Ų56.348%0.48330%0.297SS..EExtended strand (participates in β ladder)trans-136.4124.4169.5-178.90000109.4N189 V190N189-S305 PolarHBondContact ND2-OG 2.77Å; N189-S305 PolarHBondContact OD1-OG 2.93Å; V190-S305 CarbonylContact O-C 3.5Å; V190-S305 VanDerWaalsContact O-CA 3.3Å; V190-S305 WeakPolarHBondContact O-CA 3.5Å
306G94.3Very high86.5Confident12 Ų1256.3 Ų56.312%0.12431%0.306CS..EExtended strand (participates in β ladder)trans-134.1135.7-176.500000111.7N189 V190N189-G306 CarbonylContact C-O 3.57Å; N189-G306 WeakPolarHBondContact CA-O 3.38Å; V190-G306 PolarHBondContact N-O 2.77Å; V190-G306 PolarHBondContact O-N 3.44Å
307N94.8Very high84.6Confident77 Ų7763.2 Ų63.241%0.41234%0.341SS..EExtended strand (participates in β ladder)trans-92.9124.3174.6-71.3-44.7000110.4R187 M188 N189R187-N307 PolarHBondContact NH2-ND2 2.88Å; M188-N307 CarbonylContact O-C 3.56Å; M188-N307 WeakPolarHBondContact O-CA 3.34Å; N189-N307 WeakPolarHBondContact CB-OD1 3.33Å; N189-N307 PolarHBondContact ND2-OD1 3.05Å
308I94.1Very high82.2Confident3 Ų372.6 Ų72.62%0.01538%0.375CS..EExtended strand (participates in β ladder)trans-122.3154.6174.268.7174000110.1I121 F134 I140 F142 Y182 R187 M188 V190 I310I121-I308 HydrophobicContact CD1-CG2 3.71Å; F134-I308 HydrophobicContact CD2-CB 3.83Å; F134-I308 HydrophobicContact CD2-CD1 4.3Å; F134-I308 HydrophobicContact CD2-CG2 4.21Å; F134-I308 HydrophobicContact CE2-CB 3.75Å; F134-I308 HydrophobicContact CE2-CG2 3.63Å; I140-I308 HydrophobicContact CD1-CD1 4.49Å; F142-I308 HydrophobicContact CZ-CD1 4.3Å; Y182-I308 HydrophobicContact CD2-CD1 4.38Å; Y182-I308 HydrophobicContact CE2-CD1 3.52Å; R187-I308 CarbonylContact C-O 3.56Å; R187-I308 WeakPolarHBondContact CA-O 3.41Å; M188-I308 HydrophobicContact CB-CD1 4.5Å; M188-I308 HydrophobicContact CB-CG1 3.91Å; M188-I308 PolarHBondContact N-O 3.32Å; M188-I308 PolarHBondContact O-N 2.88Å; V190-I308 HydrophobicContact CG2-CD1 3.72Å; V190-I308 HydrophobicContact CG2-CG1 4.01Å; I308-I310 HydrophobicContact CD1-CD1 3.88Å; I308-I310 HydrophobicContact CG1-CD1 4.24Å
309T93.3Very high79.9Confident47 Ų4773.1 Ų73.129%0.28839%0.388SS..EExtended strand (participates in β ladder)trans-118.2120.8177.9-51.50000109.8S132 V133 F134 V311S132-T309 PolarHBondContact O-N 3.29Å; V133-T309 WeakPolarHBondContact CA-O 3.4Å; F134-T309 PolarHBondContact N-O 2.88Å; T309-V311 HydrophobicContact CG2-CG1 4.12Å
310I92.9Very high77.8Confident3 Ų379.8 Ų79.82%0.01541%0.413CS..EExtended strand (participates in β ladder)trans-94.4118.1176.5-48.5-55000108.4F134 R136 I140 Y182 T184 L185 G186 M188 I308F134-I310 HydrophobicContact CB-CD1 4.02Å; F134-I310 WeakPolarHBondContact O-CA 3.47Å; R136-I310 HydrophobicContact CB-CG2 3.79Å; R136-I310 HydrophobicContact CG-CG2 4.45Å; I140-I310 HydrophobicContact CD1-CD1 3.84Å; Y182-I310 HydrophobicContact CD1-CG1 4.16Å; Y182-I310 HydrophobicContact CD2-CD1 3.49Å; Y182-I310 VanDerWaalsContact CD2-CD1 3.49Å; Y182-I310 HydrophobicContact CD2-CG1 3.98Å; Y182-I310 HydrophobicContact CE2-CD1 4.02Å; Y182-I310 HydrophobicContact CG-CD1 3.78Å; Y182-I310 HydrophobicContact CG-CG1 3.71Å; T184-I310 WeakPolarHBondContact O-CG2 3.26Å; L185-I310 HydrophobicContact CD2-CG2 4.47Å; G186-I310 PolarHBondContact N-O 2.68Å; G186-I310 PolarHBondContact O-N 2.78Å; M188-I310 HydrophobicContact CG-CG1 4.09Å; I308-I310 HydrophobicContact CD1-CD1 3.88Å; I308-I310 HydrophobicContact CG1-CD1 4.24Å
311V90.4Very high75.8Confident48 Ų4884 Ų8429%0.29143%0.432SS..EExtended strand (participates in β ladder)trans-113.7160.5178.1-60.70000110.2V133 F134 R136 L185 T309V133-V311 HydrophobicContact CG1-CB 4.42Å; V133-V311 HydrophobicContact CG1-CG1 3.81Å; V133-V311 HydrophobicContact CG1-CG2 3.67Å; F134-V311 WeakPolarHBondContact O-CG2 3.04Å; F134-V311 PolarHBondContact O-N 2.86Å; R136-V311 PolarHBondContact N-O 3.21Å; L185-V311 VanDerWaalsContact CD2-C 3.47Å; T309-V311 HydrophobicContact CG2-CG1 4.12Å
312E84.5Confident73.8Confident109 Ų10987.8 Ų87.851%0.50946%0.456SS..PPolyproline II helixtrans-59.5147.9173.4-69.7-167.3145.300110.4R136 L185 K314R136-E312 IonicContact NH1-OE1 3.79Å; R136-E312 IonicContact NH2-OE1 3.76Å; L185-E312 HydrophobicContact CD1-CG 3.4Å; L185-E312 HydrophobicContact CD2-CB 4.44Å; L185-E312 HydrophobicContact CD2-CG 3.65Å; L185-E312 HydrophobicContact CG-CG 4.14Å; E312-K314 PolarHBondContact O-N 2.76Å
313P71.9Confident72.3Confident49 Ų4988 Ų8832%0.31846%0.457SS..PPolyproline II helixtrans-50.7133.5160.8-13.424.8000106.5I135 P315I135-P313 HydrophobicContact CG2-CB 3.73Å; I135-P313 HydrophobicContact CG2-CG 3.69Å; P313-P315 WeakPolarHBondContact O-CD 3.5Å
314K62.3Low71.4Confident148 Ų14892 Ų9264%0.64346%0.461SS*.PPolyproline II helixtrans-53.2125163.5-78.8-175.9178.9177.90104.5E312E312-K314 PolarHBondContact O-N 2.76Å
315P56.2Low70.6Confident106 Ų10690.9 Ų90.969%0.68846%0.457SS*.PPolyproline II helixtrans-50.4135.2178.517.9-28.5000106.2P313 L317P313-P315 WeakPolarHBondContact O-CD 3.5Å; P315-L317 PolarHBondContact O-N 2.87Å; P315-L317 VanDerWaalsContact O-N 3.12Å
316P48.3Very low70.1Confident104 Ų10492.7 Ų92.768%0.67546%0.461SS*.PPolyproline II helixtrans-47.4133.7162.323.4-31.3000104.4R318P316-R318 WeakPolarHBondContact O-CA 3.49Å; P316-R318 WeakPolarHBondContact O-CB 3.17Å; P316-R318 PolarHBondContact O-N 3.42Å
317L46.7Very low69.5Low165 Ų16596.1 Ų96.186%0.86448%0.476SS*.  trans-55.987171.6-83.2158.8000106P315 N319P315-L317 PolarHBondContact O-N 2.87Å; P315-L317 VanDerWaalsContact O-N 3.12Å; L317-N319 VanDerWaalsContact C-N 3.3Å; L317-N319 PolarHBondContact O-N 3.21Å
318R38.7Very low69.1Low230 Ų23093.8 Ų93.887%0.86846%0.464SS*.  trans-77.993.8-167.2-165.9179.3-167.3-109.63.8102.8P316 R320P316-R318 WeakPolarHBondContact O-CA 3.49Å; P316-R318 WeakPolarHBondContact O-CB 3.17Å; P316-R318 PolarHBondContact O-N 3.42Å; R318-R320 PolarHBondContact O-N 3.27Å
319N43.4Very low68.8Low142 Ų14296 Ų9676%0.75948%0.48SS*.  trans3568.4175.3-84-8.2000113.5L317 L321L317-N319 VanDerWaalsContact C-N 3.3Å; L317-N319 PolarHBondContact O-N 3.21Å; N319-L321 PolarHBondContact O-N 2.63Å
320R46.4Very low68.5Low155 Ų15596.1 Ų96.159%0.58549%0.486SS*.  trans-67.594.7142.3-89.2-171.3179.1-169.7-0.7103.9R318 N322R318-R320 PolarHBondContact O-N 3.27Å; R320-N322 PolarHBondContact O-N 3.38Å
321L50.8Low68.1Low103 Ų10398.8 Ų98.854%0.53951%0.509SS..PPolyproline II helixtrans-47.1118.2167.8-79.2160000105.8N319 S323N319-L321 PolarHBondContact O-N 2.63Å; L321-S323 PolarHBondContact O-N 3.23Å
322N55.1Low67.6Low127 Ų127102.6 Ų102.668%0.67952%0.518SS*.PPolyproline II helixtrans-46.3131.2172.3-74.3-9.2000107.2R320 R324R320-N322 PolarHBondContact O-N 3.38Å; N322-R324 PolarHBondContact O-N 2.84Å
323S64.5Low67.4Low4 Ų4101.4 Ų101.43%0.02852%0.518CS..PPolyproline II helixtrans-50.6118.3173.249.50000107.7L321 L345 S403 A405L321-S323 PolarHBondContact O-N 3.23Å; S323-L345 WeakPolarHBondContact CA-O 3.39Å; S323-S403 PolarHBondContact OG-OG 3.48Å; S323-A405 WeakPolarHBondContact O-CB 3.34Å
324R76.9Confident67.6Low187 Ų187102 Ų10271%0.70652%0.521SS*.EExtended strand (participates in β ladder)trans-116.2132.9175.4-172.8177179.2-175.50.3108N322 L326 C344 L345N322-R324 PolarHBondContact O-N 2.84Å; R324-L326 PolarHBondContact O-N 2.77Å; R324-C344 CarbonylContact O-C 3.52Å; R324-C344 VanDerWaalsContact O-CA 3.29Å; R324-C344 WeakPolarHBondContact O-CA 3.37Å; R324-L345 PolarHBondContact N-O 2.79Å; R324-L345 PolarHBondContact O-N 2.89Å
325I82.1Confident68Low21 Ų21100.5 Ų100.511%0.10852%0.52CS..EExtended strand (participates in β ladder)trans-75.8122.1173.2-62.2166.8000107.3V328 V342 L398 A405 A407I325-V328 HydrophobicContact CG2-CG2 3.61Å; I325-V342 HydrophobicContact CD1-CG1 4.43Å; I325-V342 HydrophobicContact CG1-CG1 4.16Å; I325-V342 HydrophobicContact CG2-CG1 3.8Å; I325-L398 HydrophobicContact CD1-CD1 4.21Å; I325-L398 HydrophobicContact CD1-CG 4.04Å; I325-L398 HydrophobicContact CG1-CD1 3.69Å; I325-L398 HydrophobicContact CG1-CG 4.09Å; I325-A405 HydrophobicContact CD1-CB 4.18Å; I325-A405 HydrophobicContact CG1-CB 4.03Å; I325-A407 HydrophobicContact CB-CB 4.02Å; I325-A407 HydrophobicContact CD1-CB 3.56Å; I325-A407 HydrophobicContact CG1-CB 4.39Å; I325-A407 HydrophobicContact CG2-CB 3.75Å
326L83.7Confident69Low106 Ų10697.5 Ų97.556%0.55550%0.5SS*.EExtended strand (participates in β ladder)trans-85.5-41.9177.4-68177.7000111R324 K343 L345R324-L326 PolarHBondContact O-N 2.77Å; L326-K343 PolarHBondContact N-O 2.99Å; L326-L345 HydrophobicContact CD1-CB 3.97Å; L326-L345 HydrophobicContact CD1-CD1 4.1Å; L326-L345 HydrophobicContact CD2-CB 3.99Å; L326-L345 HydrophobicContact CG-CB 3.91Å
327D82.4Confident70.7Confident85 Ų8594.8 Ų94.846%0.45548%0.479SS..EExtended strand (participates in β ladder)trans-155.4146.2-173.6-174.833.1000111.4V342 K343D327-V342 WeakPolarHBondContact O-CA 3.43Å; D327-K343 HydrophobicContact CB-CB 4.43Å; D327-K343 PolarHBondContact N-O 3.27Å; D327-K343 PolarHBondContact O-N 2.96Å
328V86.8Confident72.7Confident27 Ų2787.5 Ų87.516%0.16444%0.441CS..EExtended strand (participates in β ladder)trans-130.7111.4174.4-179.70000107.5I325 F340 V342 I396 A407 T409I325-V328 HydrophobicContact CG2-CG2 3.61Å; V328-F340 HydrophobicContact CG1-CD1 4.34Å; V328-V342 HydrophobicContact CG2-CG1 4.35Å; V328-V342 HydrophobicContact CG2-CG2 4.5Å; V328-I396 HydrophobicContact CG1-CD1 3.66Å; V328-A407 HydrophobicContact CG2-CB 3.75Å; V328-T409 HydrophobicContact CG1-CG2 4.06Å
329S86.9Confident75.1Confident50 Ų5077.6 Ų77.635%0.3541%0.408SS..EExtended strand (participates in β ladder)trans-108.1140172.753.60000110.3F340 R341S329-F340 CarbonylContact O-C 3.55Å; S329-F340 WeakPolarHBondContact O-CA 3.36Å; S329-R341 PolarHBondContact N-O 2.87Å; S329-R341 PolarHBondContact O-N 3.47Å; S329-R341 WeakPolarHBondContact OG-CB 3.39Å; S329-R341 PolarHBondContact OG-O 3.23Å
330A87.2Confident77.4Confident50 Ų5070.9 Ų70.941%0.41337%0.372SS..EExtended strand (participates in β ladder)trans-116.9128.6177.800000109.7V338 S339 F340 I411A330-V338 HydrophobicContact CB-CG1 4.06Å; A330-S339 WeakPolarHBondContact CA-O 3.39Å; A330-F340 HydrophobicContact CB-CD1 3.82Å; A330-F340 HydrophobicContact CB-CE1 3.77Å; A330-I411 HydrophobicContact CB-CG2 4.3Å
331A84.7Confident79.4Confident59 Ų5968 Ų6849%0.48836%0.361SS..EExtended strand (participates in β ladder)trans-123.6130.4176.400000110S339A331-S339 PolarHBondContact N-O 3.37Å; A331-S339 PolarHBondContact O-N 3.37Å
332R80.8Confident81.3Confident128 Ų12863.1 Ų63.148%0.48334%0.335SS..EExtended strand (participates in β ladder)trans-75.1124.7175.9-170.5-178.9-67.3-176.4-0.7109.2T334 T412 S414R332-T334 WeakPolarHBondContact CG-O 3.17Å; R332-T412 PolarHBondContact NH2-O 3.3Å; R332-T412 VanDerWaalsContact NH2-O 3.07Å; R332-S414 PolarHBondContact NH2-OG 2.95Å
333V78.9Confident82.9Confident84 Ų8461.9 Ų61.951%0.50932%0.324SS..  trans-99.9-41.2179.5-175.70000110.6D337V333-D337 HydrophobicContact CB-CB 4.41Å; V333-D337 PolarHBondContact N-O 2.86Å
334T76.9Confident83.9Confident61 Ų6162.2 Ų62.237%0.37433%0.326SS..SBendtrans-137-179.2173.3680000109.6R332 T336 D337R332-T334 WeakPolarHBondContact CG-O 3.17Å; T334-T336 PolarHBondContact O-N 2.86Å; T334-T336 VanDerWaalsContact O-N 3.16Å; T334-T336 PolarHBondContact OG1-N 2.75Å; T334-D337 PolarHBondContact N-O 3.09Å; T334-D337 VanDerWaalsContact OG1-CB 3.24Å; T334-D337 WeakPolarHBondContact OG1-CB 3.46Å; T334-D337 VanDerWaalsContact OG1-CG 3.26Å; T334-D337 PolarHBondContact OG1-N 2.84Å; T334-D337 PolarHBondContact OG1-OD2 3.46Å
335N71Confident84.1Confident117 Ų11757.5 Ų57.563%0.62631%0.314SS*.SBendtrans-60.2-22.7174.2-74-20.3000113.3
336T77.1Confident83.8Confident43 Ų4358.4 Ų58.426%0.26433%0.329SS..SBendtrans-116.3-19.2-178.457.60000113.9T334 R385 F386T334-T336 PolarHBondContact O-N 2.86Å; T334-T336 VanDerWaalsContact O-N 3.16Å; T334-T336 PolarHBondContact OG1-N 2.75Å; T336-R385 CarbonylContact O-C 3.59Å; T336-R385 WeakPolarHBondContact O-CA 3.09Å; T336-F386 WeakPolarHBondContact CB-O 3.38Å; T336-F386 PolarHBondContact O-N 3.11Å
337D84.1Confident83.4Confident47 Ų4754.7 Ų54.725%0.25131%0.312SS..EExtended strand (participates in β ladder)trans-104.9130.2-175.2-57.1-46.3000112.4V333 T334 R384 R385V333-D337 HydrophobicContact CB-CB 4.41Å; V333-D337 PolarHBondContact N-O 2.86Å; T334-D337 PolarHBondContact N-O 3.09Å; T334-D337 VanDerWaalsContact OG1-CB 3.24Å; T334-D337 WeakPolarHBondContact OG1-CB 3.46Å; T334-D337 VanDerWaalsContact OG1-CG 3.26Å; T334-D337 PolarHBondContact OG1-N 2.84Å; T334-D337 PolarHBondContact OG1-OD2 3.46Å; D337-R384 WeakPolarHBondContact CA-O 3.42Å; D337-R385 WeakPolarHBondContact OD1-CB 3.19Å; D337-R385 WeakPolarHBondContact OD1-CD 3.24Å; D337-R385 WeakPolarHBondContact OD1-CG 3.46Å; D337-R385 IonicContact OD1-NE 3.8Å
338V88.4Confident83.2Confident11 Ų1153.6 Ų53.67%0.06731%0.306CS..EExtended strand (participates in β ladder)trans-119.3130.2175.8-176.20000109A330 F340 R384 F386 I411A330-V338 HydrophobicContact CB-CG1 4.06Å; V338-F340 HydrophobicContact CB-CE2 4.34Å; V338-F340 HydrophobicContact CB-CZ 4.46Å; V338-F340 HydrophobicContact CG1-CE1 4.25Å; V338-F340 HydrophobicContact CG1-CE2 4.08Å; V338-F340 HydrophobicContact CG1-CZ 3.89Å; V338-R384 PolarHBondContact N-O 2.8Å; V338-R384 PolarHBondContact O-N 2.88Å; V338-F386 HydrophobicContact CB-CD2 4.41Å; V338-F386 HydrophobicContact CB-CE2 4.02Å; V338-F386 HydrophobicContact CG2-CD2 4.02Å; V338-F386 HydrophobicContact CG2-CE2 4.03Å; V338-I411 HydrophobicContact CG2-CD1 4.24Å
339S89.6Confident83.1Confident23 Ų2352.5 Ų52.516%0.16130%0.299CS..EExtended strand (participates in β ladder)trans-100.1122.1173.5-171.50000109.6A330 A331 L382A330-S339 WeakPolarHBondContact CA-O 3.39Å; A331-S339 PolarHBondContact N-O 3.37Å; A331-S339 PolarHBondContact O-N 3.37Å; S339-L382 CarbonylContact C-O 3.52Å; S339-L382 WeakPolarHBondContact CA-O 3.34Å
340F90.5Very high83Confident0 Ų053.6 Ų53.60%030%0.304CS..EExtended strand (participates in β ladder)trans-95.7132.9171.8-59.9-84.1000109.9V328 S329 A330 V338 R381 L382 R384 F386 V394 I396 T409 I411V328-F340 HydrophobicContact CG1-CD1 4.34Å; S329-F340 CarbonylContact O-C 3.55Å; S329-F340 WeakPolarHBondContact O-CA 3.36Å; A330-F340 HydrophobicContact CB-CD1 3.82Å; A330-F340 HydrophobicContact CB-CE1 3.77Å; V338-F340 HydrophobicContact CB-CE2 4.34Å; V338-F340 HydrophobicContact CB-CZ 4.46Å; V338-F340 HydrophobicContact CG1-CE1 4.25Å; V338-F340 HydrophobicContact CG1-CE2 4.08Å; V338-F340 HydrophobicContact CG1-CZ 3.89Å; F340-R381 CarbonylContact O-C 3.57Å; F340-R381 WeakPolarHBondContact O-CA 3.43Å; F340-L382 HydrophobicContact CB-CB 4.32Å; F340-L382 PolarHBondContact N-O 2.94Å; F340-L382 PolarHBondContact O-N 3.49Å; F340-R384 HydrophobicContact CD2-CB 4.47Å; F340-R384 HydrophobicContact CD2-CG 3.94Å; F340-R384 HydrophobicContact CE2-CB 3.96Å; F340-R384 HydrophobicContact CE2-CG 3.76Å; F340-F386 HydrophobicContact CE2-CE2 4.41Å; F340-F386 HydrophobicContact CE2-CZ 4.46Å; F340-F386 HydrophobicContact CZ-CZ 4.4Å; F340-V394 HydrophobicContact CE1-CG1 4.22Å; F340-V394 HydrophobicContact CE2-CG1 4.39Å; F340-V394 HydrophobicContact CZ-CB 4.39Å; F340-V394 HydrophobicContact CZ-CG1 3.89Å; F340-V394 HydrophobicContact CZ-CG2 4.21Å; F340-I396 HydrophobicContact CB-CD1 4Å; F340-I396 HydrophobicContact CD1-CD1 3.9Å; F340-I396 HydrophobicContact CG-CD1 3.94Å; F340-T409 HydrophobicContact CD1-CG2 4.39Å; F340-T409 HydrophobicContact CE1-CG2 3.95Å; F340-I411 HydrophobicContact CE1-CG2 3.9Å; F340-I411 HydrophobicContact CZ-CD1 4.4Å; F340-I411 HydrophobicContact CZ-CG2 4.06Å
341R89.9Confident83Confident96 Ų9652.1 Ų52.136%0.36229%0.29SS..EExtended strand (participates in β ladder)trans-115114.8171.7174.2-168.2-62.4-95.43.9107.7S329 E379S329-R341 PolarHBondContact N-O 2.87Å; S329-R341 PolarHBondContact O-N 3.47Å; S329-R341 WeakPolarHBondContact OG-CB 3.39Å; S329-R341 PolarHBondContact OG-O 3.23Å; R341-E379 WeakPolarHBondContact CD-OE1 3.43Å; R341-E379 HydrophobicContact CG-CG 4.16Å; R341-E379 WeakPolarHBondContact CG-OE1 3.37Å; R341-E379 IonicContact CZ-OE1 3.11Å; R341-E379 IonicContact NE-OE1 2.66Å; R341-E379 VanDerWaalsContact NH1-CD 3.28Å; R341-E379 IonicContact NH1-OE1 2.71Å; R341-E379 PolarHBondContact NH1-OE1 3.35Å; R341-E379 IonicContact NH1-OE2 3.78Å; R341-E379 PolarHBondContact NH1-OE2 3.47Å
342V90.4Very high83.3Confident0 Ų049.3 Ų49.30%027%0.267CS..EExtended strand (participates in β ladder)trans-111.8118-173.7-174.30000108.5I325 D327 V328 E379 V380 I396 L398I325-V342 HydrophobicContact CD1-CG1 4.43Å; I325-V342 HydrophobicContact CG1-CG1 4.16Å; I325-V342 HydrophobicContact CG2-CG1 3.8Å; D327-V342 WeakPolarHBondContact O-CA 3.43Å; V328-V342 HydrophobicContact CG2-CG1 4.35Å; V328-V342 HydrophobicContact CG2-CG2 4.5Å; V342-E379 WeakPolarHBondContact O-CA 3.2Å; V342-V380 HydrophobicContact CB-CB 4.38Å; V342-V380 PolarHBondContact N-O 3.39Å; V342-V380 PolarHBondContact O-N 3.2Å; V342-I396 HydrophobicContact CG2-CD1 4.03Å; V342-I396 HydrophobicContact CG2-CG2 4.1Å; V342-L398 HydrophobicContact CG1-CD1 3.96Å; V342-L398 HydrophobicContact CG1-CD2 4.45Å; V342-L398 HydrophobicContact CG1-CG 4.45Å
343K88.7Confident83.7Confident101 Ų10143.9 Ų43.944%0.43925%0.248SC..EExtended strand (participates in β ladder)trans-98.3131.7173-69.5-174176.5-177.60109.4L326 D327L326-K343 PolarHBondContact N-O 2.99Å; D327-K343 HydrophobicContact CB-CB 4.43Å; D327-K343 PolarHBondContact N-O 3.27Å; D327-K343 PolarHBondContact O-N 2.96Å
344C85.8Confident84.2Confident11 Ų1139.9 Ų39.97%0.07422%0.224CC..EExtended strand (participates in β ladder)trans-123.9157.9-179.239.60000112.6R324 C378 L398R324-C344 CarbonylContact O-C 3.52Å; R324-C344 VanDerWaalsContact O-CA 3.29Å; R324-C344 WeakPolarHBondContact O-CA 3.37Å; C344-C378 HydrophobicContact CB-CB 4.05Å; C344-C378 WeakPolarHBondContact CB-SG 3.11Å; C344-C378 PolarHBondContact N-O 3.14Å; C344-C378 VanDerWaalsContact O-CB 3.3Å; C344-C378 WeakPolarHBondContact O-CB 3.13Å; C344-C378 VanDerWaalsContact SG-C 3.56Å; C344-C378 WeakPolarHBondContact SG-CB 3.11Å; C344-C378 PolarHBondContact SG-O 2.85Å; C344-C378 CovalentContact SG-SG 2.02Å; C344-C378 PolarHBondContact SG-SG 2.96Å; C344-L398 HydrophobicContact CB-CD1 3.78Å
345L81Confident84.8Confident87 Ų8738.9 Ų38.946%0.45522%0.216SC..EExtended strand (participates in β ladder)trans-118.1132.7172.3-166.7100.3000108.2S323 R324 L326S323-L345 WeakPolarHBondContact CA-O 3.39Å; R324-L345 PolarHBondContact N-O 2.79Å; R324-L345 PolarHBondContact O-N 2.89Å; L326-L345 HydrophobicContact CD1-CB 3.97Å; L326-L345 HydrophobicContact CD1-CD1 4.1Å; L326-L345 HydrophobicContact CD2-CB 3.99Å; L326-L345 HydrophobicContact CG-CB 3.91Å
346G75.6Confident85.7Confident41 Ų4133.9 Ų33.942%0.42319%0.19SC..SBendtrans113.5-146-179.400000112.1
347S74.5Confident86.2Confident28 Ų2832.3 Ų32.320%0.19618%0.18CC..SBendtrans-71.9140.4178.4580000112.2N400S347-N400 WeakPolarHBondContact CB-ND2 3.42Å; S347-N400 PolarHBondContact OG-ND2 2.87Å; S347-N400 VanDerWaalsContact OG-ND2 3.08Å
348I78.5Confident86.3Confident62 Ų6230.8 Ų30.832%0.31817%0.172SC..PPolyproline II helixtrans-61.5128.8171.6-57133.2000108.7S375 N400I348-S375 WeakPolarHBondContact CD1-O 3.46Å; I348-N400 PolarHBondContact O-ND2 2.88Å
349P84.8Confident86.1Confident3 Ų334.3 Ų34.32%0.01920%0.195CC..PPolyproline II helixtrans-70.3154179.930.1-35.5000111.5V372 V380 L398 E399P349-V372 HydrophobicContact CG-CG1 4.43Å; P349-V372 HydrophobicContact CG-CG2 4.45Å; P349-V380 HydrophobicContact CG-CG2 3.92Å; P349-L398 HydrophobicContact CB-CB 3.97Å; P349-L398 HydrophobicContact CG-CB 4.22Å; P349-L398 HydrophobicContact CG-CD1 4.26Å; P349-L398 HydrophobicContact CG-CD2 4.11Å; P349-L398 HydrophobicContact CG-CG 4.43Å; P349-E399 WeakPolarHBondContact CA-O 3.48Å; P349-E399 WeakPolarHBondContact CB-O 3.42Å
350T85.1Confident85.8Confident74 Ų7437.2 Ų37.245%0.45422%0.216SC..SBendtrans-89.3-31.1173.348.60000111.7V372 E399T350-V372 PolarHBondContact O-N 3.19Å; T350-E399 PolarHBondContact N-O 3.43Å; T350-E399 PolarHBondContact OG1-O 2.98Å
351S87.1Confident85.5Confident18 Ų1841 Ų4113%0.12624%0.241CC..EExtended strand (participates in β ladder)trans-138.1148.2-179.2510000111E399S351-E399 PolarHBondContact N-O 3.14Å; S351-E399 VanDerWaalsContact N-O 3.12Å; S351-E399 PolarHBondContact O-N 2.67Å; S351-E399 WeakPolarHBondContact OG-CB 3.02Å; S351-E399 PolarHBondContact OG-OE2 2.59Å
352A90.3Very high85.1Confident0 Ų040.8 Ų40.80%026%0.255CS..EExtended strand (participates in β ladder)trans-133.4120.3176.400000110.5C369 D370 V372 V380 L382 T397 L398A352-C369 WeakPolarHBondContact O-CA 3.34Å; A352-D370 PolarHBondContact N-O 2.9Å; A352-D370 PolarHBondContact O-N 2.84Å; A352-V372 HydrophobicContact CB-CG2 3.65Å; A352-V380 HydrophobicContact CB-CG1 4.11Å; A352-L382 HydrophobicContact CB-CD1 4.17Å; A352-L382 HydrophobicContact CB-CD2 3.81Å; A352-T397 CarbonylContact C-O 3.54Å; A352-T397 WeakPolarHBondContact CA-O 3.02Å; A352-L398 HydrophobicContact CB-CD2 3.7Å
353C88.8Confident84.8Confident14 Ų1447.3 Ų47.310%0.09529%0.285CS..EExtended strand (participates in β ladder)trans-109.5150.2179-55.80000111.9M368 C369 I396 T397C353-M368 CarbonylContact C-O 3.52Å; C353-M368 VanDerWaalsContact CA-O 3.27Å; C353-M368 WeakPolarHBondContact CA-O 3.48Å; C353-C369 HydrophobicContact CB-CB 4.05Å; C353-C369 WeakPolarHBondContact CB-SG 3.45Å; C353-C369 WeakPolarHBondContact SG-CB 3.32Å; C353-C369 CovalentContact SG-SG 2.04Å; C353-C369 PolarHBondContact SG-SG 3.02Å; C353-I396 CarbonylContact O-C 3.56Å; C353-I396 WeakPolarHBondContact O-CA 3.21Å; C353-T397 WeakPolarHBondContact CB-OG1 3.47Å; C353-T397 PolarHBondContact N-O 3.46Å; C353-T397 PolarHBondContact O-N 3.21Å
354T90.9Very high84.7Confident0 Ų046.2 Ų46.20%029%0.287CS..EExtended strand (participates in β ladder)trans-128119.4176.3-48.90000108.7V356 I367 M368 R384 V394 N395 I396T354-V356 HydrophobicContact CG2-CG2 4.42Å; T354-I367 CarbonylContact O-C 3.54Å; T354-I367 WeakPolarHBondContact O-CA 2.7Å; T354-M368 PolarHBondContact N-O 2.81Å; T354-M368 PolarHBondContact O-N 3.14Å; T354-R384 VanDerWaalsContact CB-NE 3.3Å; T354-R384 HydrophobicContact CG2-CG 4.15Å; T354-R384 PolarHBondContact OG1-NE 3.07Å; T354-R384 PolarHBondContact OG1-NH2 2.92Å; T354-V394 HydrophobicContact CG2-CG1 3.3Å; T354-N395 CarbonylContact C-O 3.55Å; T354-N395 WeakPolarHBondContact CA-O 3.3Å; T354-I396 HydrophobicContact CG2-CG1 4.17Å
355I89.3Confident84.6Confident41 Ų4152 Ų5221%0.2131%0.307CS..EExtended strand (participates in β ladder)trans-104120.3177-57.4169.8000106.9V364 N366 I367 V394 N395I355-V364 HydrophobicContact CG2-CB 4.44Å; I355-V364 HydrophobicContact CG2-CG1 3.72Å; I355-V364 HydrophobicContact CG2-CG2 3.89Å; I355-N366 WeakPolarHBondContact CA-O 3.41Å; I355-I367 HydrophobicContact CG1-CD1 4.42Å; I355-I367 HydrophobicContact CG1-CG1 4.12Å; I355-I367 HydrophobicContact CG1-CG2 4.09Å; I355-I367 HydrophobicContact CG2-CG1 4.23Å; I355-V394 CarbonylContact O-C 3.6Å; I355-V394 WeakPolarHBondContact O-CA 3.37Å; I355-N395 HydrophobicContact CB-CB 4.09Å; I355-N395 PolarHBondContact N-O 3.5Å; I355-N395 PolarHBondContact O-N 2.81Å
356V89.4Confident84.8Confident11 Ų1151.6 Ų51.67%0.06731%0.306CS..EExtended strand (participates in β ladder)trans-105.2123.2177.3179.50000108.3T354 R365 N366 F386 Y392 V394T354-V356 HydrophobicContact CG2-CG2 4.42Å; V356-R365 WeakPolarHBondContact O-CA 3.15Å; V356-R365 PolarHBondContact O-N 2.84Å; V356-N366 PolarHBondContact N-O 2.96Å; V356-N366 PolarHBondContact O-N 3.15Å; V356-N366 VanDerWaalsContact O-N 3.12Å; V356-F386 HydrophobicContact CB-CE1 4.36Å; V356-F386 HydrophobicContact CG1-CD1 4.27Å; V356-F386 HydrophobicContact CG1-CE1 3.63Å; V356-F386 HydrophobicContact CG2-CE1 3.75Å; V356-F386 HydrophobicContact CG2-CZ 4.03Å; V356-Y392 HydrophobicContact CG1-CD1 3.87Å; V356-Y392 HydrophobicContact CG1-CG 4.1Å; V356-V394 HydrophobicContact CG2-CG2 4.47Å
357S88.4Confident85.4Confident10 Ų1054.5 Ų54.57%0.0731%0.31CS..EExtended strand (participates in β ladder)trans-113.6166.9176.9-590000112Q363 C393S357-Q363 CarbonylContact C-O 3.55Å; S357-Q363 WeakPolarHBondContact CA-O 3.39Å; S357-Q363 WeakPolarHBondContact CB-O 3.38Å; S357-C393 PolarHBondContact N-O 3.25Å; S357-C393 PolarHBondContact O-N 3.16Å
358D85.5Confident86.1Confident15 Ų1556.3 Ų56.38%0.0832%0.316CS..  trans-57.2168.1170.167.2-14.5000113.4S360 C361 S362 Q363 C393D358-S360 VanDerWaalsContact CG-OG 3.27Å; D358-S360 PolarHBondContact O-N 3.44Å; D358-S360 PolarHBondContact OD2-OG 2.9Å; D358-C361 PolarHBondContact O-N 3.42Å; D358-C361 WeakPolarHBondContact OD1-CA 3.4Å; D358-C361 PolarHBondContact OD1-N 3.19Å; D358-S362 PolarHBondContact OD1-N 2.81Å; D358-S362 PolarHBondContact OD2-OG 3.46Å; D358-Q363 HydrophobicContact CB-CB 4.33Å; D358-Q363 VanDerWaalsContact CG-N 3.31Å; D358-Q363 PolarHBondContact N-O 3.44Å; D358-Q363 PolarHBondContact OD1-N 2.76Å; D358-Q363 WeakPolarHBondContact OD2-CB 3.13Å; D358-Q363 PolarHBondContact OD2-N 2.79Å; D358-C393 PolarHBondContact O-SG 3.34Å
359P84.4Confident86.6Confident85 Ų8557 Ų5755%0.55233%0.326SS*.THydrogen-bonded Turntrans-59.4-26.4179-19.827.1000114.3C361 T391P359-C361 VanDerWaalsContact C-N 3.27Å; P359-T391 VanDerWaalsContact CG-O 3.27Å; P359-T391 WeakPolarHBondContact CG-O 3.47Å
360S83.6Confident86.8Confident84 Ų8459.9 Ų59.959%0.58734%0.341SS*.THydrogen-bonded Turntrans-80.9-1175.127.40000113.9D358 S362D358-S360 VanDerWaalsContact CG-OG 3.27Å; D358-S360 PolarHBondContact O-N 3.44Å; D358-S360 PolarHBondContact OD2-OG 2.9Å; S360-S362 WeakPolarHBondContact CB-OG 3.35Å; S360-S362 PolarHBondContact O-N 3.45Å; S360-S362 PolarHBondContact OG-OG 2.85Å; S360-S362 VanDerWaalsContact OG-OG 3.13Å
361C83.1Confident86.9Confident79 Ų7963.3 Ų63.353%0.53436%0.357SS..SBendtrans51.919.7-174.3-440000114.7D358 P359 C393D358-C361 PolarHBondContact O-N 3.42Å; D358-C361 WeakPolarHBondContact OD1-CA 3.4Å; D358-C361 PolarHBondContact OD1-N 3.19Å; P359-C361 VanDerWaalsContact C-N 3.27Å; C361-C393 VanDerWaalsContact CA-SG 3.55Å; C361-C393 HydrophobicContact CB-CB 3.76Å; C361-C393 WeakPolarHBondContact CB-SG 3.27Å; C361-C393 WeakPolarHBondContact SG-CB 3.38Å; C361-C393 CovalentContact SG-SG 2.04Å; C361-C393 PolarHBondContact SG-SG 3.45Å
362S83.1Confident86.8Confident93 Ų9363.5 Ų63.565%0.6536%0.357SS*.  trans-98-32.5-175.346.70000113D358 S360D358-S362 PolarHBondContact OD1-N 2.81Å; D358-S362 PolarHBondContact OD2-OG 3.46Å; S360-S362 WeakPolarHBondContact CB-OG 3.35Å; S360-S362 PolarHBondContact O-N 3.45Å; S360-S362 PolarHBondContact OG-OG 2.85Å; S360-S362 VanDerWaalsContact OG-OG 3.13Å
363Q83.4Confident86.3Confident136 Ų13668.2 Ų68.264%0.63639%0.387SS*.SBendtrans-118.6118.5-174.9-165.9176.312.800110.4S357 D358 R365S357-Q363 CarbonylContact C-O 3.55Å; S357-Q363 WeakPolarHBondContact CA-O 3.39Å; S357-Q363 WeakPolarHBondContact CB-O 3.38Å; D358-Q363 HydrophobicContact CB-CB 4.33Å; D358-Q363 VanDerWaalsContact CG-N 3.31Å; D358-Q363 PolarHBondContact N-O 3.44Å; D358-Q363 PolarHBondContact OD1-N 2.76Å; D358-Q363 WeakPolarHBondContact OD2-CB 3.13Å; D358-Q363 PolarHBondContact OD2-N 2.79Å; Q363-R365 PolarHBondContact O-N 3.1Å
364V86.5Confident85.7Confident79 Ų7973.8 Ų73.848%0.47942%0.423SS..EExtended strand (participates in β ladder)trans-70.2126.7174.2179.20000109.3I355 I367I355-V364 HydrophobicContact CG2-CB 4.44Å; I355-V364 HydrophobicContact CG2-CG1 3.72Å; I355-V364 HydrophobicContact CG2-CG2 3.89Å; V364-I367 HydrophobicContact CG1-CD1 4.12Å; V364-I367 HydrophobicContact CG1-CG1 3.76Å
365R83.6Confident84.9Confident131 Ų13175.8 Ų75.849%0.49444%0.437SS..EExtended strand (participates in β ladder)trans-96.2-39.8175.8-75.5-173.7164.8-140.13.5112.8V356 Q363 E388V356-R365 WeakPolarHBondContact O-CA 3.15Å; V356-R365 PolarHBondContact O-N 2.84Å; Q363-R365 PolarHBondContact O-N 3.1Å; R365-E388 IonicContact CZ-OE2 3.65Å; R365-E388 IonicContact NH1-OE2 2.78Å; R365-E388 PolarHBondContact NH1-OE2 3.17Å; R365-E388 IonicContact NH2-OE2 2.81Å
366N84.8Confident84Confident80 Ų8079.9 Ų79.943%0.42847%0.47SS..EExtended strand (participates in β ladder)trans-154.2150.1-178.1-164.310.7000111.9I355 V356I355-N366 WeakPolarHBondContact CA-O 3.41Å; V356-N366 PolarHBondContact N-O 2.96Å; V356-N366 PolarHBondContact O-N 3.15Å; V356-N366 VanDerWaalsContact O-N 3.12Å
367I88Confident83.5Confident101 Ų10186.3 Ų86.352%0.51850%0.499SS..EExtended strand (participates in β ladder)trans-130.7126.5174-54.2-179.4000108.1T354 I355 V364T354-I367 CarbonylContact O-C 3.54Å; T354-I367 WeakPolarHBondContact O-CA 2.7Å; I355-I367 HydrophobicContact CG1-CD1 4.42Å; I355-I367 HydrophobicContact CG1-CG1 4.12Å; I355-I367 HydrophobicContact CG1-CG2 4.09Å; I355-I367 HydrophobicContact CG2-CG1 4.23Å; V364-I367 HydrophobicContact CG1-CD1 4.12Å; V364-I367 HydrophobicContact CG1-CG1 3.76Å
368M88.8Confident83.1Confident66 Ų6686.8 Ų86.833%0.32550%0.503SS..EExtended strand (participates in β ladder)trans-131.7125.7-179.4-58.6-178.775.100110.3C353 T354 R384C353-M368 CarbonylContact C-O 3.52Å; C353-M368 VanDerWaalsContact CA-O 3.27Å; C353-M368 WeakPolarHBondContact CA-O 3.48Å; T354-M368 PolarHBondContact N-O 2.81Å; T354-M368 PolarHBondContact O-N 3.14Å; M368-R384 PolarHBondContact O-NH2 2.67Å
369C90Very high83.2Confident76 Ų7688.6 Ų88.651%0.51451%0.51SS..EExtended strand (participates in β ladder)trans-119.3136.1179.2-600000110.6A352 C353A352-C369 WeakPolarHBondContact O-CA 3.34Å; C353-C369 HydrophobicContact CB-CB 4.05Å; C353-C369 WeakPolarHBondContact CB-SG 3.45Å; C353-C369 WeakPolarHBondContact SG-CB 3.32Å; C353-C369 CovalentContact SG-SG 2.04Å; C353-C369 PolarHBondContact SG-SG 3.02Å
370D89.3Confident83.4Confident65 Ų6584.9 Ų84.935%0.34849%0.486SS..EExtended strand (participates in β ladder)trans-125.1145.9172.8-50.8-58.4000110.1A352 R384A352-D370 PolarHBondContact N-O 2.9Å; A352-D370 PolarHBondContact O-N 2.84Å; D370-R384 IonicContact OD1-NH1 2.68Å; D370-R384 IonicContact OD2-CZ 3.92Å; D370-R384 IonicContact OD2-NH1 3.59Å; D370-R384 PolarHBondContact OD2-NH1 2.78Å; D370-R384 IonicContact OD2-NH2 3.6Å; D370-R384 PolarHBondContact OD2-NH2 2.99Å
371D86.4Confident83.7Confident145 Ų14588.1 Ų88.178%0.77549%0.485SS*.EExtended strand (participates in β ladder)trans-72.6138.6169.9-65.9-41000110.4
372V85.4Confident84Confident22 Ų2284.5 Ų84.513%0.13346%0.461CS..PPolyproline II helixtrans-102.3120.7-176.8-178.80000109.8P349 T350 A352 V380P349-V372 HydrophobicContact CG-CG1 4.43Å; P349-V372 HydrophobicContact CG-CG2 4.45Å; T350-V372 PolarHBondContact O-N 3.19Å; A352-V372 HydrophobicContact CB-CG2 3.65Å; V372-V380 HydrophobicContact CG1-CG1 4.25Å; V372-V380 HydrophobicContact CG1-CG2 3.89Å; V372-V380 HydrophobicContact CG2-CG1 3.8Å; V372-V380 HydrophobicContact CG2-CG2 4.38Å
373P79.9Confident84.3Confident99 Ų9989 Ų8964%0.64346%0.464SS*.PPolyproline II helixtrans-63.5149.2174.5-20.231.7000112.1S375P373-S375 PolarHBondContact O-N 2.94Å
374P76.3Confident84.6Confident131 Ų13182.8 Ų82.885%0.85143%0.434SS*.PPolyproline II helixtrans-65.3130.3176.927.1-33.5000111.1
375S73.9Confident84.6Confident42 Ų4286.7 Ų86.729%0.29444%0.44SS..  trans-130.9155-179.462.40000111.8I348 P373 E377I348-S375 WeakPolarHBondContact CD1-O 3.46Å; P373-S375 PolarHBondContact O-N 2.94Å; S375-E377 WeakPolarHBondContact CB-O 3.24Å; S375-E377 PolarHBondContact OG-O 2.74Å
376S69.2Low84.7Confident127 Ų12781 Ų8189%0.88842%0.419SS*.SBendtrans-76-24176.553.60000113.4
377E79.1Confident84.3Confident146 Ų14684.1 Ų84.168%0.68244%0.435SS*.SBendtrans-119.4138.8175.1-62.5-177175.900109.1S375 E379S375-E377 WeakPolarHBondContact CB-O 3.24Å; S375-E377 PolarHBondContact OG-O 2.74Å; E377-E379 PolarHBondContact O-N 3.23Å
378C81Confident83.8Confident21 Ų2184.4 Ų84.414%0.14243%0.434CS..  trans-77.775-177.8-157.10000110.2C344C344-C378 HydrophobicContact CB-CB 4.05Å; C344-C378 WeakPolarHBondContact CB-SG 3.11Å; C344-C378 PolarHBondContact N-O 3.14Å; C344-C378 VanDerWaalsContact O-CB 3.3Å; C344-C378 WeakPolarHBondContact O-CB 3.13Å; C344-C378 VanDerWaalsContact SG-C 3.56Å; C344-C378 WeakPolarHBondContact SG-CB 3.11Å; C344-C378 PolarHBondContact SG-O 2.85Å; C344-C378 CovalentContact SG-SG 2.02Å; C344-C378 PolarHBondContact SG-SG 2.96Å
379E87.2Confident83.4Confident52 Ų5284.5 Ų84.524%0.24344%0.44CS..EExtended strand (participates in β ladder)trans-126.9113.3176.6-172.8178-133.500110.5R341 V342 E377 R381R341-E379 WeakPolarHBondContact CD-OE1 3.43Å; R341-E379 HydrophobicContact CG-CG 4.16Å; R341-E379 WeakPolarHBondContact CG-OE1 3.37Å; R341-E379 IonicContact CZ-OE1 3.11Å; R341-E379 IonicContact NE-OE1 2.66Å; R341-E379 VanDerWaalsContact NH1-CD 3.28Å; R341-E379 IonicContact NH1-OE1 2.71Å; R341-E379 PolarHBondContact NH1-OE1 3.35Å; R341-E379 IonicContact NH1-OE2 3.78Å; R341-E379 PolarHBondContact NH1-OE2 3.47Å; V342-E379 WeakPolarHBondContact O-CA 3.2Å; E377-E379 PolarHBondContact O-N 3.23Å; E379-R381 IonicContact OE2-CZ 3.58Å; E379-R381 IonicContact OE2-NE 3.89Å; E379-R381 IonicContact OE2-NH2 2.73Å; E379-R381 PolarHBondContact OE2-NH2 2.82Å
380V88.9Confident83.1Confident7 Ų782.1 Ų82.14%0.04243%0.428CS..EExtended strand (participates in β ladder)trans-108.3133.4-178.4-173.60000109.8V342 P349 A352 V372 L382 L398V342-V380 HydrophobicContact CB-CB 4.38Å; V342-V380 PolarHBondContact N-O 3.39Å; V342-V380 PolarHBondContact O-N 3.2Å; P349-V380 HydrophobicContact CG-CG2 3.92Å; A352-V380 HydrophobicContact CB-CG1 4.11Å; V372-V380 HydrophobicContact CG1-CG1 4.25Å; V372-V380 HydrophobicContact CG1-CG2 3.89Å; V372-V380 HydrophobicContact CG2-CG1 3.8Å; V372-V380 HydrophobicContact CG2-CG2 4.38Å; V380-L382 HydrophobicContact CG1-CD2 3.86Å; V380-L382 HydrophobicContact CG1-CG 4.13Å; V380-L398 HydrophobicContact CG2-CD2 4.35Å
381R89Confident82.9Confident152 Ų15282.1 Ų82.157%0.57443%0.43SS*.EExtended strand (participates in β ladder)trans-114.1116.3176.4-64.4-174.6-171.61268.2110.3F340 E379F340-R381 CarbonylContact O-C 3.57Å; F340-R381 WeakPolarHBondContact O-CA 3.43Å; E379-R381 IonicContact OE2-CZ 3.58Å; E379-R381 IonicContact OE2-NE 3.89Å; E379-R381 IonicContact OE2-NH2 2.73Å; E379-R381 PolarHBondContact OE2-NH2 2.82Å
382L89.8Confident83Confident3 Ų375.8 Ų75.82%0.01640%0.396CS..EExtended strand (participates in β ladder)trans-112.9135.2-179.7-54.4172.4000109.3S339 F340 A352 V380 I396S339-L382 CarbonylContact C-O 3.52Å; S339-L382 WeakPolarHBondContact CA-O 3.34Å; F340-L382 HydrophobicContact CB-CB 4.32Å; F340-L382 PolarHBondContact N-O 2.94Å; F340-L382 PolarHBondContact O-N 3.49Å; A352-L382 HydrophobicContact CB-CD1 4.17Å; A352-L382 HydrophobicContact CB-CD2 3.81Å; V380-L382 HydrophobicContact CG1-CD2 3.86Å; V380-L382 HydrophobicContact CG1-CG 4.13Å; L382-I396 HydrophobicContact CD1-CG2 3.88Å
383R89.4Confident83.1Confident189 Ų18975 Ų7571%0.71339%0.392SS*.EExtended strand (participates in β ladder)trans-112.7129.3175-66.8-176.1-179.9-175.71.3109.5
384R89.7Confident83.6Confident5 Ų570.3 Ų70.32%0.01936%0.361CS..EExtended strand (participates in β ladder)trans-132.8137.2-177.1-57-65.9172-124.710.4110.6D337 V338 F340 T354 M368 D370 F386D337-R384 WeakPolarHBondContact CA-O 3.42Å; V338-R384 PolarHBondContact N-O 2.8Å; V338-R384 PolarHBondContact O-N 2.88Å; F340-R384 HydrophobicContact CD2-CB 4.47Å; F340-R384 HydrophobicContact CD2-CG 3.94Å; F340-R384 HydrophobicContact CE2-CB 3.96Å; F340-R384 HydrophobicContact CE2-CG 3.76Å; T354-R384 VanDerWaalsContact CB-NE 3.3Å; T354-R384 HydrophobicContact CG2-CG 4.15Å; T354-R384 PolarHBondContact OG1-NE 3.07Å; T354-R384 PolarHBondContact OG1-NH2 2.92Å; M368-R384 PolarHBondContact O-NH2 2.67Å; D370-R384 IonicContact OD1-NH1 2.68Å; D370-R384 IonicContact OD2-CZ 3.92Å; D370-R384 IonicContact OD2-NH1 3.59Å; D370-R384 PolarHBondContact OD2-NH1 2.78Å; D370-R384 IonicContact OD2-NH2 3.6Å; D370-R384 PolarHBondContact OD2-NH2 2.99Å; R384-F386 HydrophobicContact CB-CE2 3.72Å; R384-F386 HydrophobicContact CB-CZ 4.16Å
385R86.4Confident84.3Confident160 Ų16066.2 Ų66.260%0.60433%0.332SS*.EExtended strand (participates in β ladder)trans-105.8133.2179.6-171.3165.8-172.6173.62.6110.3T336 D337 L387T336-R385 CarbonylContact O-C 3.59Å; T336-R385 WeakPolarHBondContact O-CA 3.09Å; D337-R385 WeakPolarHBondContact OD1-CB 3.19Å; D337-R385 WeakPolarHBondContact OD1-CD 3.24Å; D337-R385 WeakPolarHBondContact OD1-CG 3.46Å; D337-R385 IonicContact OD1-NE 3.8Å; R385-L387 HydrophobicContact CG-CD2 4.47Å
386F85.1Confident85Confident11 Ų1164.2 Ų64.25%0.04832%0.318CS..  trans-121.8121.8179.9-62.5-98.1000108.8T336 V338 F340 V356 R384 Y392 V394 I411 I413T336-F386 WeakPolarHBondContact CB-O 3.38Å; T336-F386 PolarHBondContact O-N 3.11Å; V338-F386 HydrophobicContact CB-CD2 4.41Å; V338-F386 HydrophobicContact CB-CE2 4.02Å; V338-F386 HydrophobicContact CG2-CD2 4.02Å; V338-F386 HydrophobicContact CG2-CE2 4.03Å; F340-F386 HydrophobicContact CE2-CE2 4.41Å; F340-F386 HydrophobicContact CE2-CZ 4.46Å; F340-F386 HydrophobicContact CZ-CZ 4.4Å; V356-F386 HydrophobicContact CB-CE1 4.36Å; V356-F386 HydrophobicContact CG1-CD1 4.27Å; V356-F386 HydrophobicContact CG1-CE1 3.63Å; V356-F386 HydrophobicContact CG2-CE1 3.75Å; V356-F386 HydrophobicContact CG2-CZ 4.03Å; R384-F386 HydrophobicContact CB-CE2 3.72Å; R384-F386 HydrophobicContact CB-CZ 4.16Å; F386-Y392 AromaticContact CD1-CD2 3.79Å; F386-Y392 HydrophobicContact CD1-CD2 3.79Å; F386-Y392 HydrophobicContact CD1-CE2 4.12Å; F386-Y392 HydrophobicContact CD1-CG 4.12Å; F386-Y392 HydrophobicContact CE1-CD2 4.23Å; F386-Y392 HydrophobicContact CE1-CG 4.23Å; F386-V394 HydrophobicContact CE1-CG2 4.44Å; F386-V394 HydrophobicContact CZ-CG2 4.24Å; F386-I411 HydrophobicContact CD1-CD1 4Å; F386-I411 HydrophobicContact CD2-CD1 3.95Å; F386-I411 HydrophobicContact CE1-CD1 3.47Å; F386-I411 VanDerWaalsContact CE1-CD1 3.47Å; F386-I411 HydrophobicContact CE1-CG1 4.44Å; F386-I411 HydrophobicContact CE2-CD1 3.42Å; F386-I411 VanDerWaalsContact CE2-CD1 3.42Å; F386-I411 HydrophobicContact CG-CD1 4.24Å; F386-I411 HydrophobicContact CZ-CD1 3.18Å; F386-I411 HydrophobicContact CZ-CG1 4.39Å; F386-I413 HydrophobicContact CB-CD1 3.07Å; F386-I413 HydrophobicContact CD1-CD1 3.88Å; F386-I413 HydrophobicContact CD2-CD1 3.67Å; F386-I413 HydrophobicContact CG-CD1 3.27Å
387L76.7Confident85.9Confident147 Ų14758.5 Ų58.577%0.7728%0.278SS*.  trans-87.9-27.3-171.6-61.3174.1000112.8R385R385-L387 HydrophobicContact CG-CD2 4.47Å
388E78.3Confident86.3Confident106 Ų10651.6 Ų51.650%0.49525%0.245SC..SBendtrans-106.8139.4-179.1-76.2174.4-159.400110.4R365 Y392R365-E388 IonicContact CZ-OE2 3.65Å; R365-E388 IonicContact NH1-OE2 2.78Å; R365-E388 PolarHBondContact NH1-OE2 3.17Å; R365-E388 IonicContact NH2-OE2 2.81Å; E388-Y392 WeakPolarHBondContact CB-OH 3.44Å; E388-Y392 WeakPolarHBondContact O-CE2 3.43Å; E388-Y392 PolarHBondContact O-OH 3.17Å
389P81Confident86.3Confident68 Ų6855 Ų5544%0.44226%0.26SS..  trans-73.5133.9169.230.3-31.7000109.5I413 K415P389-I413 CarbonylContact C-O 3.52Å; P389-I413 WeakPolarHBondContact CA-O 3.3Å; P389-I413 WeakPolarHBondContact CB-O 3.39Å; P389-K415 HydrophobicContact CB-CB 3.83Å; P389-K415 HydrophobicContact CB-CG 4.47Å; P389-K415 HydrophobicContact CG-CB 3.93Å; P389-K415 HydrophobicContact CG-CD 4.46Å; P389-K415 HydrophobicContact CG-CG 4.07Å
390G83.9Confident85.8Confident26 Ų2653.6 Ų53.627%0.26825%0.253SS..EExtended strand (participates in β ladder)trans167.2174.5-175.500000112.5I413G390-I413 PolarHBondContact N-O 3.45Å; G390-I413 PolarHBondContact O-N 3.37Å
391T84.4Confident84.7Confident65 Ų6558.3 Ų58.340%0.39929%0.287SS..EExtended strand (participates in β ladder)trans-92129.4171.2-52.50000108.8P359 I411 T412P359-T391 VanDerWaalsContact CG-O 3.27Å; P359-T391 WeakPolarHBondContact CG-O 3.47Å; T391-I411 CarbonylContact C-O 3.4Å; T391-I411 WeakPolarHBondContact CA-O 3.38Å; T391-T412 HydrophobicContact CG2-CG2 3.86Å
392Y88.7Confident83.2Confident12 Ų1255 Ų555%0.04729%0.287CS..EExtended strand (participates in β ladder)trans-124.2139.1179.8-60.8-79.7000110.8V356 F386 E388 T410 I411 I413V356-Y392 HydrophobicContact CG1-CD1 3.87Å; V356-Y392 HydrophobicContact CG1-CG 4.1Å; F386-Y392 AromaticContact CD1-CD2 3.79Å; F386-Y392 HydrophobicContact CD1-CD2 3.79Å; F386-Y392 HydrophobicContact CD1-CE2 4.12Å; F386-Y392 HydrophobicContact CD1-CG 4.12Å; F386-Y392 HydrophobicContact CE1-CD2 4.23Å; F386-Y392 HydrophobicContact CE1-CG 4.23Å; E388-Y392 WeakPolarHBondContact CB-OH 3.44Å; E388-Y392 WeakPolarHBondContact O-CE2 3.43Å; E388-Y392 PolarHBondContact O-OH 3.17Å; Y392-T410 WeakPolarHBondContact O-CA 3.31Å; Y392-I411 PolarHBondContact N-O 3.47Å; Y392-I411 PolarHBondContact O-N 3.03Å; Y392-I413 HydrophobicContact CD2-CD1 4.22Å; Y392-I413 HydrophobicContact CE2-CD1 4.18Å
393C87.5Confident82Confident7 Ų755.8 Ų55.85%0.04729%0.292CS..EExtended strand (participates in β ladder)trans-86.4125.8166.6-47.20000108.6S357 D358 C361S357-C393 PolarHBondContact N-O 3.25Å; S357-C393 PolarHBondContact O-N 3.16Å; D358-C393 PolarHBondContact O-SG 3.34Å; C361-C393 VanDerWaalsContact CA-SG 3.55Å; C361-C393 HydrophobicContact CB-CB 3.76Å; C361-C393 WeakPolarHBondContact CB-SG 3.27Å; C361-C393 WeakPolarHBondContact SG-CB 3.38Å; C361-C393 CovalentContact SG-SG 2.04Å; C361-C393 PolarHBondContact SG-SG 3.45Å
394V91.1Very high81.4Confident0 Ų053 Ų530%029%0.289CS..EExtended strand (participates in β ladder)trans-119.3114.1-176-1750000109.1F340 T354 I355 V356 F386 I396 S408 T409 I411F340-V394 HydrophobicContact CE1-CG1 4.22Å; F340-V394 HydrophobicContact CE2-CG1 4.39Å; F340-V394 HydrophobicContact CZ-CB 4.39Å; F340-V394 HydrophobicContact CZ-CG1 3.89Å; F340-V394 HydrophobicContact CZ-CG2 4.21Å; T354-V394 HydrophobicContact CG2-CG1 3.3Å; I355-V394 CarbonylContact O-C 3.6Å; I355-V394 WeakPolarHBondContact O-CA 3.37Å; V356-V394 HydrophobicContact CG2-CG2 4.47Å; F386-V394 HydrophobicContact CE1-CG2 4.44Å; F386-V394 HydrophobicContact CZ-CG2 4.24Å; V394-I396 HydrophobicContact CG1-CG1 4.17Å; V394-S408 CarbonylContact O-C 3.48Å; V394-S408 WeakPolarHBondContact O-CA 3.27Å; V394-T409 WeakPolarHBondContact CA-O 3.4Å; V394-T409 HydrophobicContact CB-CG2 4.02Å; V394-T409 PolarHBondContact N-O 3.13Å; V394-T409 PolarHBondContact O-N 3.38Å; V394-T409 VanDerWaalsContact O-O 3.1Å; V394-I411 HydrophobicContact CG2-CD1 4.13Å; V394-I411 HydrophobicContact CG2-CG1 3.89Å; V394-I411 HydrophobicContact CG2-CG2 4.42Å
395N89.7Confident81Confident44 Ų4453.2 Ų53.224%0.23529%0.292CS..EExtended strand (participates in β ladder)trans-101.4119.5175.5-8311.1000109T354 I355 L406 A407 S408T354-N395 CarbonylContact C-O 3.55Å; T354-N395 WeakPolarHBondContact CA-O 3.3Å; I355-N395 HydrophobicContact CB-CB 4.09Å; I355-N395 PolarHBondContact N-O 3.5Å; I355-N395 PolarHBondContact O-N 2.81Å; N395-L406 HydrophobicContact CB-CD1 3.94Å; N395-A407 CarbonylContact C-O 3.49Å; N395-A407 WeakPolarHBondContact CA-O 2.92Å; N395-S408 WeakPolarHBondContact OD1-CB 3.47Å; N395-S408 PolarHBondContact OD1-OG 3.34Å
396I89.4Confident80.8Confident0 Ų050.6 Ų50.60%029%0.29CS..EExtended strand (participates in β ladder)trans-106.4126.2178.5-59.8172.3000108.6V328 F340 V342 C353 T354 L382 V394 L406 A407V328-I396 HydrophobicContact CG1-CD1 3.66Å; F340-I396 HydrophobicContact CB-CD1 4Å; F340-I396 HydrophobicContact CD1-CD1 3.9Å; F340-I396 HydrophobicContact CG-CD1 3.94Å; V342-I396 HydrophobicContact CG2-CD1 4.03Å; V342-I396 HydrophobicContact CG2-CG2 4.1Å; C353-I396 CarbonylContact O-C 3.56Å; C353-I396 WeakPolarHBondContact O-CA 3.21Å; T354-I396 HydrophobicContact CG2-CG1 4.17Å; L382-I396 HydrophobicContact CD1-CG2 3.88Å; V394-I396 HydrophobicContact CG1-CG1 4.17Å; I396-L406 WeakPolarHBondContact O-CA 3.33Å; I396-A407 PolarHBondContact N-O 3.47Å; I396-A407 PolarHBondContact O-N 3Å
397T88.3Confident80.8Confident8 Ų851.2 Ų51.25%0.04930%0.296CS..EExtended strand (participates in β ladder)trans-114.6131.5175.957.30000110.8A352 C353 M404 A405 L406A352-T397 CarbonylContact C-O 3.54Å; A352-T397 WeakPolarHBondContact CA-O 3.02Å; C353-T397 WeakPolarHBondContact CB-OG1 3.47Å; C353-T397 PolarHBondContact N-O 3.46Å; C353-T397 PolarHBondContact O-N 3.21Å; T397-M404 HydrophobicContact CG2-CE 3.48Å; T397-M404 VanDerWaalsContact CG2-CE 3.48Å; T397-A405 CarbonylContact C-O 3.58Å; T397-A405 WeakPolarHBondContact CA-O 3.06Å; T397-L406 HydrophobicContact CG2-CB 4.33Å; T397-L406 HydrophobicContact CG2-CD1 3.3Å; T397-L406 HydrophobicContact CG2-CG 4.4Å
398L87.1Confident81.1Confident0 Ų048.2 Ų48.20%029%0.288CS..EExtended strand (participates in β ladder)trans-103.8125.3169.7-59.9-177.7000108.1I325 V342 C344 P349 A352 V380 M404 A405I325-L398 HydrophobicContact CD1-CD1 4.21Å; I325-L398 HydrophobicContact CD1-CG 4.04Å; I325-L398 HydrophobicContact CG1-CD1 3.69Å; I325-L398 HydrophobicContact CG1-CG 4.09Å; V342-L398 HydrophobicContact CG1-CD1 3.96Å; V342-L398 HydrophobicContact CG1-CD2 4.45Å; V342-L398 HydrophobicContact CG1-CG 4.45Å; C344-L398 HydrophobicContact CB-CD1 3.78Å; P349-L398 HydrophobicContact CB-CB 3.97Å; P349-L398 HydrophobicContact CG-CB 4.22Å; P349-L398 HydrophobicContact CG-CD1 4.26Å; P349-L398 HydrophobicContact CG-CD2 4.11Å; P349-L398 HydrophobicContact CG-CG 4.43Å; A352-L398 HydrophobicContact CB-CD2 3.7Å; V380-L398 HydrophobicContact CG2-CD2 4.35Å; L398-M404 CarbonylContact O-C 3.57Å; L398-M404 WeakPolarHBondContact O-CA 3.37Å; L398-A405 HydrophobicContact CB-CB 4.28Å; L398-A405 PolarHBondContact N-O 3.48Å; L398-A405 PolarHBondContact O-N 2.02Å
399E81.7Confident81.4Confident94 Ų9445 Ų4544%0.43928%0.275SS..EExtended strand (participates in β ladder)trans-119.8140.4-177.3173.9179.9-148.800110.3P349 T350 S351P349-E399 WeakPolarHBondContact CA-O 3.48Å; P349-E399 WeakPolarHBondContact CB-O 3.42Å; T350-E399 PolarHBondContact N-O 3.43Å; T350-E399 PolarHBondContact OG1-O 2.98Å; S351-E399 PolarHBondContact N-O 3.14Å; S351-E399 VanDerWaalsContact N-O 3.12Å; S351-E399 PolarHBondContact O-N 2.67Å; S351-E399 WeakPolarHBondContact OG-CB 3.02Å; S351-E399 PolarHBondContact OG-OE2 2.59Å
400N75.7Confident81.6Confident21 Ų2146.3 Ų46.311%0.11228%0.282CS..EExtended strand (participates in β ladder)trans-134.5166.9173.2-163.6-3.3000108.1S347 I348 S402 S403S347-N400 WeakPolarHBondContact CB-ND2 3.42Å; S347-N400 PolarHBondContact OG-ND2 2.87Å; S347-N400 VanDerWaalsContact OG-ND2 3.08Å; I348-N400 PolarHBondContact O-ND2 2.88Å; N400-S402 PolarHBondContact O-N 2.93Å; N400-S403 PolarHBondContact N-O 3.02Å; N400-S403 PolarHBondContact O-N 2.9Å
401S66.4Low81.6Confident106 Ų10645.8 Ų45.874%0.74127%0.273SS*.THydrogen-bonded Turntrans-52.7-11-179.167.90000115.7
402S56.4Low81.5Confident82 Ų8247 Ų4757%0.57328%0.281SS*.THydrogen-bonded Turntrans-147.24.3-17758.10000115.1N400N400-S402 PolarHBondContact O-N 2.93Å
403S66.3Low81.2Confident20 Ų2047.2 Ų47.214%0.1428%0.282CS..EExtended strand (participates in β ladder)trans-154.8149.6-177.162.80000113.2S323 N400S323-S403 PolarHBondContact OG-OG 3.48Å; N400-S403 PolarHBondContact N-O 3.02Å; N400-S403 PolarHBondContact O-N 2.9Å
404M75.6Confident80.6Confident131 Ų13150.6 Ų50.665%0.64531%0.306SS*.EExtended strand (participates in β ladder)trans-130.4134176.2-170.6-178.6-177.400110.1T397 L398T397-M404 HydrophobicContact CG2-CE 3.48Å; T397-M404 VanDerWaalsContact CG2-CE 3.48Å; L398-M404 CarbonylContact O-C 3.57Å; L398-M404 WeakPolarHBondContact O-CA 3.37Å
405A80.8Confident79.3Confident9 Ų958.3 Ų58.37%0.07434%0.34CS..EExtended strand (participates in β ladder)trans-120.9140.5176.300000109.7S323 I325 T397 L398S323-A405 WeakPolarHBondContact O-CB 3.34Å; I325-A405 HydrophobicContact CD1-CB 4.18Å; I325-A405 HydrophobicContact CG1-CB 4.03Å; T397-A405 CarbonylContact C-O 3.58Å; T397-A405 WeakPolarHBondContact CA-O 3.06Å; L398-A405 HydrophobicContact CB-CB 4.28Å; L398-A405 PolarHBondContact N-O 3.48Å; L398-A405 PolarHBondContact O-N 2.02Å
406L83.7Confident77.8Confident106 Ų10660.2 Ų60.256%0.55536%0.356SS*.EExtended strand (participates in β ladder)trans-125.5136.3178.717874.6000110.3N395 I396 T397N395-L406 HydrophobicContact CB-CD1 3.94Å; I396-L406 WeakPolarHBondContact O-CA 3.33Å; T397-L406 HydrophobicContact CG2-CB 4.33Å; T397-L406 HydrophobicContact CG2-CD1 3.3Å; T397-L406 HydrophobicContact CG2-CG 4.4Å
407A83.9Confident75.9Confident23 Ų2369.3 Ų69.319%0.1940%0.399CS..EExtended strand (participates in β ladder)trans-135.1141.616700000110I325 V328 N395 I396I325-A407 HydrophobicContact CB-CB 4.02Å; I325-A407 HydrophobicContact CD1-CB 3.56Å; I325-A407 HydrophobicContact CG1-CB 4.39Å; I325-A407 HydrophobicContact CG2-CB 3.75Å; V328-A407 HydrophobicContact CG2-CB 3.75Å; N395-A407 CarbonylContact C-O 3.49Å; N395-A407 WeakPolarHBondContact CA-O 2.92Å; I396-A407 PolarHBondContact N-O 3.47Å; I396-A407 PolarHBondContact O-N 3Å
408S83.7Confident73.5Confident85 Ų8576.1 Ų76.159%0.59444%0.435SS*.EExtended strand (participates in β ladder)trans-113.3132.3-179.5-60.80000109.9V394 N395V394-S408 CarbonylContact O-C 3.48Å; V394-S408 WeakPolarHBondContact O-CA 3.27Å; N395-S408 WeakPolarHBondContact OD1-CB 3.47Å; N395-S408 PolarHBondContact OD1-OG 3.34Å
409T83.9Confident71Confident37 Ų3780.7 Ų80.723%0.22747%0.473CS..EExtended strand (participates in β ladder)trans-134.9151.5173.3-171.20000109.7V328 F340 V394V328-T409 HydrophobicContact CG1-CG2 4.06Å; F340-T409 HydrophobicContact CD1-CG2 4.39Å; F340-T409 HydrophobicContact CE1-CG2 3.95Å; V394-T409 WeakPolarHBondContact CA-O 3.4Å; V394-T409 HydrophobicContact CB-CG2 4.02Å; V394-T409 PolarHBondContact N-O 3.13Å; V394-T409 PolarHBondContact O-N 3.38Å; V394-T409 VanDerWaalsContact O-O 3.1Å
410T84.6Confident69.3Low96 Ų9682 Ų8259%0.58949%0.49SS*.EExtended strand (participates in β ladder)trans-103.4145172.351.20000109.9Y392Y392-T410 WeakPolarHBondContact O-CA 3.31Å
411I85.4Confident67.6Low15 Ų1585.6 Ų85.68%0.07752%0.522CS..EExtended strand (participates in β ladder)trans-129.3149173.765.7163.4000110.4A330 V338 F340 F386 T391 Y392 V394 I413A330-I411 HydrophobicContact CB-CG2 4.3Å; V338-I411 HydrophobicContact CG2-CD1 4.24Å; F340-I411 HydrophobicContact CE1-CG2 3.9Å; F340-I411 HydrophobicContact CZ-CD1 4.4Å; F340-I411 HydrophobicContact CZ-CG2 4.06Å; F386-I411 HydrophobicContact CD1-CD1 4Å; F386-I411 HydrophobicContact CD2-CD1 3.95Å; F386-I411 HydrophobicContact CE1-CD1 3.47Å; F386-I411 VanDerWaalsContact CE1-CD1 3.47Å; F386-I411 HydrophobicContact CE1-CG1 4.44Å; F386-I411 HydrophobicContact CE2-CD1 3.42Å; F386-I411 VanDerWaalsContact CE2-CD1 3.42Å; F386-I411 HydrophobicContact CG-CD1 4.24Å; F386-I411 HydrophobicContact CZ-CD1 3.18Å; F386-I411 HydrophobicContact CZ-CG1 4.39Å; T391-I411 CarbonylContact C-O 3.4Å; T391-I411 WeakPolarHBondContact CA-O 3.38Å; Y392-I411 PolarHBondContact N-O 3.47Å; Y392-I411 PolarHBondContact O-N 3.03Å; V394-I411 HydrophobicContact CG2-CD1 4.13Å; V394-I411 HydrophobicContact CG2-CG1 3.89Å; V394-I411 HydrophobicContact CG2-CG2 4.42Å; I411-I413 HydrophobicContact CD1-CD1 4.07Å; I411-I413 HydrophobicContact CD1-CG1 4.32Å
412T82.4Confident66.7Low92 Ų9286.8 Ų86.856%0.56453%0.527SS*.EExtended strand (participates in β ladder)trans-121.9124.917752.20000110.2R332 T391R332-T412 PolarHBondContact NH2-O 3.3Å; R332-T412 VanDerWaalsContact NH2-O 3.07Å; T391-T412 HydrophobicContact CG2-CG2 3.86Å
413I81.8Confident66Low15 Ų1592 Ų928%0.07754%0.54CS..EExtended strand (participates in β ladder)trans-112.3108.2-179.8-56.5-176000107.8F386 P389 G390 Y392 I411F386-I413 HydrophobicContact CB-CD1 3.07Å; F386-I413 HydrophobicContact CD1-CD1 3.88Å; F386-I413 HydrophobicContact CD2-CD1 3.67Å; F386-I413 HydrophobicContact CG-CD1 3.27Å; P389-I413 CarbonylContact C-O 3.52Å; P389-I413 WeakPolarHBondContact CA-O 3.3Å; P389-I413 WeakPolarHBondContact CB-O 3.39Å; G390-I413 PolarHBondContact N-O 3.45Å; G390-I413 PolarHBondContact O-N 3.37Å; Y392-I413 HydrophobicContact CD2-CD1 4.22Å; Y392-I413 HydrophobicContact CE2-CD1 4.18Å; I411-I413 HydrophobicContact CD1-CD1 4.07Å; I411-I413 HydrophobicContact CD1-CG1 4.32Å
414S75.1Confident64.6Low78 Ų7897.9 Ų97.955%0.54558%0.575SS.*PPolyproline II helixtrans-72.7134.3-178.3-17.20000109.6R332 S416R332-S414 PolarHBondContact NH2-OG 2.95Å; S414-S416 PolarHBondContact O-N 3.22Å
415K63.7Low62.7Low162 Ų16296.6 Ų96.670%0.70458%0.579SS**PPolyproline II helixtrans-64.3125.7166.9-169.5175.4179.3-176.90108P389 Q417P389-K415 HydrophobicContact CB-CB 3.83Å; P389-K415 HydrophobicContact CB-CG 4.47Å; P389-K415 HydrophobicContact CG-CB 3.93Å; P389-K415 HydrophobicContact CG-CD 4.46Å; P389-K415 HydrophobicContact CG-CG 4.07Å; K415-Q417 PolarHBondContact O-N 2.87Å
416S58.2Low61Low84 Ų84103.8 Ų103.859%0.58762%0.616SS**PPolyproline II helixtrans-58.6124.816550.50000107.8S414 D418S414-S416 PolarHBondContact O-N 3.22Å; S416-D418 PolarHBondContact O-N 3.02Å
417Q49.5Very low58.7Low192 Ų192105.8 Ų105.890%0.89763%0.633SS**PPolyproline II helixtrans-60.9118.7-178.9-115.6172.9-15.900109.9K415K415-Q417 PolarHBondContact O-N 2.87Å
418D37.4Very low56.5Low151 Ų151109.3 Ų109.381%0.80766%0.662SS**  trans-141.5147.2152.9-95.1-37.3000109.1S416S416-D418 PolarHBondContact O-N 3.02Å
419A34.7Very low54Low96 Ų96114.1 Ų114.179%0.79368%0.675SS**  trans-65.1169.7-152.100000118.3
420P47.1Very low52.1Low121 Ų121117.8 Ų117.879%0.78670%0.697SS**  trans-100.6147.4-16036-30.1000117.9
421A39.3Very low50Low97 Ų97119.6 Ų119.680%0.80271%0.708SS**  trans69.8157151.900000119
422P46.8Very low48.5Very low130 Ų130126 Ų12684%0.84474%0.742SS**  cis-141.9-171.224.139.8-16.5000118.3
423K42.5Very low47.3Very low193 Ų193127.6 Ų127.684%0.83975%0.751SS**  trans-76160-165.9-53.4167.2178.3175.10116.2
424T35.8Very low46.1Very low143 Ų143131.2 Ų131.288%0.87778%0.778SS**  trans168159.8137.238.60000108.3
425S36.3Very low45.3Very low104 Ų104132 Ų13273%0.72778%0.784SS**  cis-169.2156.1-11.544.80000107
426N45.3Very low45Very low159 Ų159128.3 Ų128.385%0.8578%0.783SS**  trans-46.2153173.4-71.7-28.6000115.4
427T34.2Very low45.3Very low149 Ų149129.4 Ų129.491%0.91479%0.786SS**  trans-160.4134.6140.79.60000111
428A37.8Very low46.1Very low97 Ų97125.4 Ų125.480%0.80277%0.77SS**  trans-96.2147.7176.100000110.4
429Q31.9Very low47.8Very low186 Ų186123.3 Ų123.387%0.86976%0.762SS**  trans-158.6113.7153.1-150.9166.2-0.400114
430V45Very low49.6Very low114 Ų114120.4 Ų120.469%0.69174%0.742SS**  trans27122.6134.7-169.90000119.6
431V40.5Very low51.1Low133 Ų133118.5 Ų118.581%0.80673%0.728SS**  trans-142.1105.1144-177.60000110.6
432L52.8Low52.9Low151 Ų151121 Ų12179%0.79172%0.721SS**  trans-79124157.1-84.1152.4000107.9
433T57.6Low54.4Low125 Ų125117.7 Ų117.777%0.76771%0.705SS**  trans172.177.1152.434.40000110.7
434S56.3Low56Low91 Ų91113.9 Ų113.964%0.63669%0.692SS**  trans-132.9-5.3172.952.30000114.2
435S57.8Low58.1Low95 Ų95111 Ų11166%0.66468%0.675SS**Hα-helixtrans-84.9-20.9-175.141.70000114.9
436A58.6Low60Low83 Ų83109 Ų10969%0.68666%0.664SS**Hα-helixtrans-80.4-32-178.900000113.7
437V64.1Low61.6Low108 Ų108108 Ų10866%0.65565%0.65SS**Hα-helixtrans-74.4-36.5-175.9-178.40000111.4V439 G440 V441V437-V439 PolarHBondContact O-N 2.81Å; V437-G440 PolarHBondContact O-N 3.35Å; V437-V441 WeakPolarHBondContact O-CG2 3.48Å; V437-V441 PolarHBondContact O-N 2.91Å
438L67.1Low63.4Low108 Ų108106.7 Ų106.757%0.56564%0.635SS**Hα-helixtrans-64.2-39.9178.9-93.1151.2000112.5G440 V441 F442L438-G440 VanDerWaalsContact C-N 3.34Å; L438-G440 PolarHBondContact O-N 3.36Å; L438-V441 PolarHBondContact O-N 3.28Å; L438-F442 HydrophobicContact CD2-CE2 4.15Å; L438-F442 VanDerWaalsContact O-CD2 3.3Å; L438-F442 WeakPolarHBondContact O-CD2 3.14Å; L438-F442 PolarHBondContact O-N 2.85Å
439V72.4Confident65.2Low106 Ų106106 Ų10664%0.64262%0.62SS**Hα-helixtrans-66.3-37.7178.7179.70000111.5V437 V441 F442 A443V437-V439 PolarHBondContact O-N 2.81Å; V439-V441 PolarHBondContact O-N 3.49Å; V439-F442 PolarHBondContact O-N 3.44Å; V439-A443 PolarHBondContact O-N 2.92Å
440G73Confident67.3Low36 Ų36104.6 Ų104.637%0.37161%0.608SS.*Hα-helixtrans-63.7-40176.100000113.1V437 L438 A443 I444V437-G440 PolarHBondContact O-N 3.35Å; L438-G440 VanDerWaalsContact C-N 3.34Å; L438-G440 PolarHBondContact O-N 3.36Å; G440-A443 PolarHBondContact O-N 2.82Å; G440-I444 WeakPolarHBondContact O-CG1 3.19Å; G440-I444 PolarHBondContact O-N 3.01Å
441V77.6Confident68.4Low80 Ų80106.4 Ų106.449%0.48560%0.602SS.*Hα-helixtrans-67.3-41.6179.4176.20000111.3V437 L438 V439 A443 I444 V445V437-V441 WeakPolarHBondContact O-CG2 3.48Å; V437-V441 PolarHBondContact O-N 2.91Å; L438-V441 PolarHBondContact O-N 3.28Å; V439-V441 PolarHBondContact O-N 3.49Å; V441-A443 PolarHBondContact O-N 2.86Å; V441-I444 PolarHBondContact O-N 3.11Å; V441-V445 WeakPolarHBondContact O-CG2 3.48Å; V441-V445 PolarHBondContact O-N 3.03Å; V441-V445 VanDerWaalsContact O-N 3.13Å
442F78.2Confident69.5Low149 Ų149110.9 Ų110.965%0.65461%0.605SS**Hα-helixtrans-65.7-36.2178.2-85-73.4000113L438 V439 V445 A446L438-F442 HydrophobicContact CD2-CE2 4.15Å; L438-F442 VanDerWaalsContact O-CD2 3.3Å; L438-F442 WeakPolarHBondContact O-CD2 3.14Å; L438-F442 PolarHBondContact O-N 2.85Å; V439-F442 PolarHBondContact O-N 3.44Å; F442-V445 PolarHBondContact O-N 2.63Å; F442-A446 WeakPolarHBondContact O-CB 3.38Å; F442-A446 PolarHBondContact O-N 2.99Å
443A78.1Confident69.9Low62 Ų62113.5 Ų113.551%0.51260%0.604SS.*Hα-helixtrans-65.4-39.5176.200000112.6V439 G440 V441 A446 Y447V439-A443 PolarHBondContact O-N 2.92Å; G440-A443 PolarHBondContact O-N 2.82Å; V441-A443 PolarHBondContact O-N 2.86Å; A443-A446 PolarHBondContact O-N 3.22Å; A443-Y447 WeakPolarHBondContact O-CB 3.33Å; A443-Y447 PolarHBondContact O-N 3.37Å
444I75.6Confident69.9Low112 Ų112113.9 Ų113.957%0.57460%0.597SS**Hα-helixtrans-67.7-41.3178.7-66.2166.6000110.9G440 V441 Y447 M448G440-I444 WeakPolarHBondContact O-CG1 3.19Å; G440-I444 PolarHBondContact O-N 3.01Å; V441-I444 PolarHBondContact O-N 3.11Å; I444-Y447 PolarHBondContact O-N 2.78Å; I444-M448 HydrophobicContact CG2-CG 4.49Å; I444-M448 VanDerWaalsContact O-CG 3.27Å; I444-M448 WeakPolarHBondContact O-CG 3.34Å; I444-M448 PolarHBondContact O-N 3.47Å
445V80.1Confident69.4Low84 Ų84117.8 Ų117.851%0.50960%0.602SS.*Hα-helixtrans-65.2-43.1177.5175.10000110.8V441 F442 Y447 M448 V449V441-V445 WeakPolarHBondContact O-CG2 3.48Å; V441-V445 PolarHBondContact O-N 3.03Å; V441-V445 VanDerWaalsContact O-N 3.13Å; F442-V445 PolarHBondContact O-N 2.63Å; V445-Y447 PolarHBondContact O-N 3.4Å; V445-M448 PolarHBondContact O-N 3.4Å; V445-V449 WeakPolarHBondContact O-CG2 3.41Å; V445-V449 PolarHBondContact O-N 3.31Å
446A76.4Confident68.5Low61 Ų61119.8 Ų119.850%0.50461%0.61SS.*Hα-helixtrans-61.3-42.5176.200000112.3F442 A443 V449 Y450F442-A446 WeakPolarHBondContact O-CB 3.38Å; F442-A446 PolarHBondContact O-N 2.99Å; A443-A446 PolarHBondContact O-N 3.22Å; A446-V449 PolarHBondContact O-N 3.42Å; A446-Y450 WeakPolarHBondContact O-CB 3.46Å; A446-Y450 PolarHBondContact O-N 3.07Å
447Y79.5Confident67.4Low139 Ų139126.5 Ų126.555%0.54562%0.619SS.*Hα-helixtrans-62.6-43176.4179.9-100.9000112.5A443 I444 V445 Y450 R451A443-Y447 WeakPolarHBondContact O-CB 3.33Å; A443-Y447 PolarHBondContact O-N 3.37Å; I444-Y447 PolarHBondContact O-N 2.78Å; V445-Y447 PolarHBondContact O-N 3.4Å; Y447-Y450 PolarHBondContact O-N 3.35Å; Y447-R451 WeakPolarHBondContact O-CB 3.47Å; Y447-R451 PolarHBondContact O-N 3.49Å
448M71.8Confident65.9Low121 Ų121132.4 Ų132.460%0.59663%0.63SS**Hα-helixtrans-65.5-39.4178.7-72.3-76.1-96.500112I444 V445 R451 R452I444-M448 HydrophobicContact CG2-CG 4.49Å; I444-M448 VanDerWaalsContact O-CG 3.27Å; I444-M448 WeakPolarHBondContact O-CG 3.34Å; I444-M448 PolarHBondContact O-N 3.47Å; V445-M448 PolarHBondContact O-N 3.4Å; M448-R451 PolarHBondContact O-N 3.03Å; M448-R452 WeakPolarHBondContact O-CB 3.46Å; M448-R452 PolarHBondContact O-N 3.05Å
449V75.6Confident64.4Low82 Ų82133.2 Ų133.250%0.49764%0.642SS.*Hα-helixtrans-68.2-41.9177.1173.80000111.4V445 A446 R451 R452 R453V445-V449 WeakPolarHBondContact O-CG2 3.41Å; V445-V449 PolarHBondContact O-N 3.31Å; A446-V449 PolarHBondContact O-N 3.42Å; V449-R451 PolarHBondContact O-N 3Å; V449-R452 PolarHBondContact O-N 3.36Å; V449-R453 WeakPolarHBondContact O-CG 3.48Å; V449-R453 PolarHBondContact O-N 3.06Å
450Y74.6Confident62.6Low157 Ų157136.3 Ų136.362%0.61665%0.653SS**Hα-helixtrans-59.8-46.1175179.4-102.7000111.6A446 Y447 R452 R453 H454A446-Y450 WeakPolarHBondContact O-CB 3.46Å; A446-Y450 PolarHBondContact O-N 3.07Å; Y447-Y450 PolarHBondContact O-N 3.35Å; Y450-R452 VanDerWaalsContact C-N 3.33Å; Y450-R452 PolarHBondContact O-N 3.17Å; Y450-R453 PolarHBondContact O-N 3Å; Y450-H454 AromaticContact CD2-CD2 3.96Å; Y450-H454 AromaticContact CE2-CD2 3.69Å; Y450-H454 AromaticContact CE2-NE2 3.74Å; Y450-H454 PolarHBondContact O-CD2 3.45Å
451R69.8Low60.6Low152 Ų152145.7 Ų145.757%0.57468%0.677SS**Hα-helixtrans-67.2-33.2-179.5-152-175.8-167.6-152.45.9112.8Y447 M448 V449Y447-R451 WeakPolarHBondContact O-CB 3.47Å; Y447-R451 PolarHBondContact O-N 3.49Å; M448-R451 PolarHBondContact O-N 3.03Å; V449-R451 PolarHBondContact O-N 3Å
452R61.7Low58.6Low227 Ų227154.1 Ų154.186%0.85770%0.7SS**Hα-helixtrans-75.7-26.6-178.5-155.6176-169.9-177.52.8112.9M448 V449 Y450M448-R452 WeakPolarHBondContact O-CB 3.46Å; M448-R452 PolarHBondContact O-N 3.05Å; V449-R452 PolarHBondContact O-N 3.36Å; Y450-R452 VanDerWaalsContact C-N 3.33Å; Y450-R452 PolarHBondContact O-N 3.17Å
453R61.7Low56.2Low205 Ų205152.6 Ų152.677%0.77471%0.708SS**Hα-helixtrans-80.1-20.6179.4-77.3-97.8-173.9155.2-0.2114.3V449 Y450V449-R453 WeakPolarHBondContact O-CG 3.48Å; V449-R453 PolarHBondContact O-N 3.06Å; Y450-R453 PolarHBondContact O-N 3Å
454H57.9Low54.3Low133 Ų133156.6 Ų156.662%0.61672%0.72SS**SBendtrans-1099.1-170.1-74.8-67000116.9Y450Y450-H454 AromaticContact CD2-CD2 3.96Å; Y450-H454 AromaticContact CE2-CD2 3.69Å; Y450-H454 AromaticContact CE2-NE2 3.74Å; Y450-H454 PolarHBondContact O-CD2 3.45Å
455K45.1Very low52.3Low174 Ų174157.5 Ų157.576%0.75773%0.73SS**  trans-119.585.6172.3-71.2-164.3175.9-170.70112
456V40.6Very low50Low136 Ų136160 Ų16082%0.82474%0.736SS**  trans-76.7138.4168.9174.70000110
457Y35.1Very low47.8Very low225 Ų225164.4 Ų164.488%0.88275%0.751SS**  trans-48.7134.2175.9-104.8-105.7000113.6
458R32.2Very low45.5Very low232 Ų232162.2 Ų162.288%0.87576%0.762SS**  trans-114.3123.6160.7-88.5-172.8178-177.3-0109.1
459P36.3Very low43.4Very low125 Ų125162.7 Ų162.781%0.81278%0.776SS**PPolyproline II helixtrans-78.9134.8170.530.5-29.4000110.4
460I33.5Very low41.1Very low170 Ų170163.7 Ų163.787%0.87279%0.793SS**PPolyproline II helixtrans-84.6124.3179.6-66.2170000109.2
461R31.6Very low38.9Very low234 Ų234163.8 Ų163.888%0.88380%0.804SS**PPolyproline II helixtrans-68.7144.2169.7-81.3-177.6171.1-178.6-2.9110.8
462R34.3Very low37.1Very low257 Ų257162.3 Ų162.397%0.9782%0.817SS**PPolyproline II helixtrans-60132.4161.5-85.4177169.9165.5-3.8110.2
463S28.9Very low35.6Very low116 Ų116155.5 Ų155.581%0.81182%0.817SS**  trans-123.6126.715559.90000109.7
464L38.9Very low34.2Very low147 Ų147150.7 Ų150.777%0.7782%0.821SS**  trans-54.4145.3162.8-138.3142.1000109.7
465V32Very low33Very low130 Ų130149.6 Ų149.679%0.78884%0.836SS**  trans169.3132.1134.21570000111.1
466E31.8Very low32.4Very low137 Ų137144.4 Ų144.464%0.6483%0.832SS**  trans-32.4153.5163.8-10191.1172.800120.8
467D31.5Very low32.3Very low153 Ų153147.3 Ų147.382%0.81884%0.836SS**  trans81.5137.5134.1-67.3-16000125.4
468A29.9Very low32.3Very low94 Ų94145.5 Ų145.578%0.77784%0.838SS**  trans96.5106.8147.500000120.7
469C28.2Very low32.6Very low131 Ų131139.8 Ų139.889%0.88583%0.828SS**  trans18.4127138.5-60.10000121.1
470A27.8Very low33Very low103 Ų103145 Ų14585%0.85183%0.832SS**  157.2145.9111.700000112.5
471N29.1Very low33.3Very low158 Ų158144 Ų14485%0.84583%0.827SS**  trans-54.8145.3-178.7-76.1-19.9000115.5
472S31.4Very low33.6Very low121 Ų121143.4 Ų143.485%0.84683%0.825SS**  160.4137.4115.4-67.70000110.7
473G30.3Very low34Very low84 Ų84138.5 Ų138.587%0.86681%0.813SS**  trans-78.6161.5-163.300000117.3
474A31.8Very low34.9Very low104 Ų104137 Ų13786%0.8681%0.808SS**  trans-159119.7146.400000108.1
475A32.3Very low35.1Very low111 Ų111136.2 Ų136.292%0.91780%0.803SS**  trans-69.2152.5175.400000111.6
476G33.5Very low35.5Very low65 Ų65137.8 Ų137.867%0.6780%0.8SS**  trans148.3115152.400000116.8
477H38Very low35.8Very low197 Ų197137.5 Ų137.591%0.91281%0.81SS**SBendtrans83.727.3142.8-72.9-71.8000122.1
478M34.6Very low36.2Very low187 Ų187135.6 Ų135.692%0.92181%0.809SS**SBendtrans-14020.9165.9-121.2175.887.800117.6
479V39.8Very low36.6Very low111 Ų111136.3 Ų136.367%0.67381%0.808SS**SBendtrans-102.1-19.5175.5179.30000112.8L481V479-L481 VanDerWaalsContact C-N 3.31Å; V479-L481 PolarHBondContact O-N 3.46Å; V479-L481 VanDerWaalsContact O-N 3.16Å
480R43.7Very low37.1Very low235 Ų235139.8 Ų139.889%0.88781%0.811SS**THydrogen-bonded Turntrans-79.71.5-168.7-125.3-178.2-172.5178.32.6116.9
481L40.3Very low37.4Very low150 Ų150143.4 Ų143.479%0.78581%0.811SS**THydrogen-bonded Turntrans-110.8-4-176.9-136.4133.1000113.8V479V479-L481 VanDerWaalsContact C-N 3.31Å; V479-L481 PolarHBondContact O-N 3.46Å; V479-L481 VanDerWaalsContact O-N 3.16Å
482R37.8Very low38Very low221 Ų221141.4 Ų141.483%0.83481%0.809SS**SBendtrans-98-14.2179-152178.5-179.5-165.7-1.5114.1
483E43.4Very low38.3Very low154 Ų154146.4 Ų146.472%0.7281%0.809SS**SBendtrans-88.8-8178.5-76.6170.7154.400114.2
484A47.6Very low38.7Very low84 Ų84151.4 Ų151.469%0.69481%0.81SS**SBendtrans-86.5-11.8-179.100000114.5
485L41.5Very low39Very low130 Ų130154 Ų15468%0.68181%0.808SS**SBendtrans-117.9-9.4-170.6-68.7172.9000114.9
486F42.4Very low39.3Very low163 Ų163156.8 Ų156.872%0.71581%0.807SS**  trans-146.599.5176.3-59.6-76.4000110.3S488F486-S488 PolarHBondContact O-N 3.49Å
487P36.3Very low39.4Very low131 Ų131160.6 Ų160.685%0.85182%0.817SS**  trans-71.8113.2165.92.113.2000108
488S40.7Very low39.2Very low114 Ų114159.9 Ų159.980%0.79781%0.814SS**  trans-11592.7166.460.10000108.8F486F486-S488 PolarHBondContact O-N 3.49Å
489S38.1Very low39.2Very low108 Ų108162.6 Ų162.676%0.75581%0.814SS**  trans-163.394.8162.862.10000111.1
490E39.8Very low38.8Very low205 Ų205166.6 Ų166.696%0.95883%0.825SS**  trans-105.985143.2-87.1-163.416200106.7
491E33.9Very low38.3Very low179 Ų179160 Ų16084%0.83682%0.822SS**  trans-150.3117.1166.1-160.6164.8-160.400107.9
492S40.4Very low38Very low115 Ų115165 Ų16580%0.80485%0.848SS**  trans-11981-17545.90000109.6
493R39Very low38Very low226 Ų226162.2 Ų162.285%0.85385%0.848SS**  trans164.1109.9144.7-89.7160-171.5-150.33.2110L495R493-L495 PolarHBondContact O-N 3.41Å
494H37.5Very low37.7Very low190 Ų190162.6 Ų162.688%0.8886%0.855SS**  trans-79107.2167.6-72.9-90.6000109.2
495L38.9Very low37.2Very low158 Ų158167 Ų16783%0.82786%0.864SS**  trans-111.963.6165.3-75.8177.6000109.9R493R493-L495 PolarHBondContact O-N 3.41Å
496L38.4Very low36.9Very low170 Ų170169.2 Ų169.289%0.8988%0.875SS**  trans-147.199.8160.4-71.7178.5000108.1
497T35.8Very low36.6Very low144 Ų144169.6 Ų169.688%0.88389%0.885SS**  trans-86.8112.4159.9-40.70000106.6R499T497-R499 PolarHBondContact O-N 3.41Å
498E34.1Very low36.6Very low182 Ų182172.1 Ų172.185%0.8589%0.887SS**  trans-60.8119172.7-160.9172.4-162.300108.8Q500E498-Q500 PolarHBondContact O-N 3.21Å
499R33.9Very low36.3Very low244 Ų244176.3 Ų176.392%0.92189%0.894SS**  trans-75.5114.9169.1-86.2-177177.1177.2-0.3108.1T497T497-R499 PolarHBondContact O-N 3.41Å
500Q31.3Very low36.2Very low195 Ų195181.5 Ų181.591%0.91190%0.904SS**  trans-66129.1161.8-80.9169.7-46.200109.6E498E498-Q500 PolarHBondContact O-N 3.21Å
501A32.6Very low35.9Very low98 Ų98179.6 Ų179.681%0.8190%0.9SS**  trans-85.6150.5164.800000110
502L34.8Very low36.1Very low254 Ų254179.6 Ų179.6100%1.3391%0.905SS**  trans-45.80176-85.9144.5000114.9

Retrieved 502 of 502 residues in 361.3 ms (Link to these results)

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