A0A060X5T4_ONCMY Loading...

V-set and transmembrane domain-containing protein 2-like protein

AlphaFold DB , UniProt , Accession A0A060X5T4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110492201, Length 241 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
1M57Low58.9Low253 Ų253102.3 Ų102.3100%1.24663%0.628SS**  088.60-67.5-154.6-101.600109.2
2G56.9Low59.2Low64 Ų64104.8 Ų104.866%0.6663%0.627SS**  trans-163.1-5.8-17300000117.6
3A56.9Low60.1Low65 Ų65110.2 Ų110.254%0.53763%0.632SS.*SBendtrans-98.2-22.8178.100000113.5
4F54.6Low60.9Low170 Ų170110.9 Ų110.975%0.74663%0.628SS**Hα-helixtrans-77.6-27.6-176.8-69.8-78.3000113.5V8F4-V8 WeakPolarHBondContact O-CG2 3.11Å; F4-V8 PolarHBondContact O-N 3.13Å
5G55.8Low61.4Low59 Ų59105.7 Ų105.761%0.60861%0.61SS**Hα-helixtrans-70.2-32.6177.900000113.6G9G5-G9 PolarHBondContact O-N 2.76Å; G5-G9 VanDerWaalsContact O-N 3.12Å
6V58.7Low61.8Low99 Ų99105.6 Ų105.660%0.661%0.606SS**Hα-helixtrans-74.4-39.8-177.8-176.10000111.3G9 T10V6-G9 PolarHBondContact O-N 3.03Å; V6-T10 PolarHBondContact O-N 3.44Å; V6-T10 PolarHBondContact O-OG1 3.33Å
7I59.3Low62.3Low99 Ų99108.7 Ų108.751%0.50861%0.607SS.*Hα-helixtrans-68.3-37.5179.2-60.7169000111T10 L11I7-T10 PolarHBondContact O-OG1 3.23Å; I7-L11 HydrophobicContact CG2-CD1 4.31Å; I7-L11 WeakPolarHBondContact O-CG 3.43Å; I7-L11 PolarHBondContact O-N 2.74Å
8V60.5Low62.6Low78 Ų78108.9 Ų108.947%0.47361%0.605SS.*Hα-helixtrans-68-41.7175.2176.90000110.2F4 T10 L11 H12F4-V8 WeakPolarHBondContact O-CG2 3.11Å; F4-V8 PolarHBondContact O-N 3.13Å; V8-T10 PolarHBondContact O-N 3.45Å; V8-L11 PolarHBondContact O-N 2.86Å; V8-H12 VanDerWaalsContact CG1-CE1 3.45Å; V8-H12 WeakPolarHBondContact CG1-CE1 3.35Å; V8-H12 PolarHBondContact O-N 2.97Å; V8-H12 PolarHBondContact O-ND1 2.78Å
9G60Low62.5Low42 Ų42110.1 Ų110.143%0.43361%0.605SS.*Hα-helixtrans-61.2-40.8177.200000114G5 V6 H12 Y13G5-G9 PolarHBondContact O-N 2.76Å; G5-G9 VanDerWaalsContact O-N 3.12Å; V6-G9 PolarHBondContact O-N 3.03Å; G9-H12 PolarHBondContact O-N 2.88Å; G9-Y13 PolarHBondContact O-N 2.8Å; G9-Y13 VanDerWaalsContact O-N 3.1Å
10T64.5Low62.3Low79 Ų79110.6 Ų110.649%0.48561%0.606SS.*Hα-helixtrans-70.1-35.1178.547.70000113V6 I7 V8 Y13 M14V6-T10 PolarHBondContact O-N 3.44Å; V6-T10 PolarHBondContact O-OG1 3.33Å; I7-T10 PolarHBondContact O-OG1 3.23Å; V8-T10 PolarHBondContact O-N 3.45Å; T10-Y13 PolarHBondContact O-N 2.89Å; T10-M14 WeakPolarHBondContact O-CG 3.45Å; T10-M14 PolarHBondContact O-N 2.87Å
11L63.6Low62.1Low117 Ų117108 Ų10861%0.61360%0.597SS**Hα-helixtrans-65.3-39.7174.8-74167.7000112.3I7 V8 M14 G15I7-L11 HydrophobicContact CG2-CD1 4.31Å; I7-L11 WeakPolarHBondContact O-CG 3.43Å; I7-L11 PolarHBondContact O-N 2.74Å; V8-L11 PolarHBondContact O-N 2.86Å; L11-M14 PolarHBondContact O-N 2.8Å; L11-G15 PolarHBondContact O-N 3.26Å
12H62.7Low61.9Low133 Ų13399 Ų9962%0.61656%0.563SS**Hα-helixtrans-67.7-37.7175.9-71.977.1000111.7V8 G9 G15 L16V8-H12 VanDerWaalsContact CG1-CE1 3.45Å; V8-H12 WeakPolarHBondContact CG1-CE1 3.35Å; V8-H12 PolarHBondContact O-N 2.97Å; V8-H12 PolarHBondContact O-ND1 2.78Å; G9-H12 PolarHBondContact O-N 2.88Å; H12-G15 PolarHBondContact O-N 3.03Å; H12-L16 PolarHBondContact O-N 3.33Å
13Y70.5Confident61.7Low175 Ų175100.5 Ų100.569%0.68656%0.563SS**Hα-helixtrans-66.4-39.8177.1-155.3-92.7000112.2G9 T10 L16 Y17G9-Y13 PolarHBondContact O-N 2.8Å; G9-Y13 VanDerWaalsContact O-N 3.1Å; T10-Y13 PolarHBondContact O-N 2.89Å; Y13-L16 PolarHBondContact O-N 2.74Å; Y13-Y17 WeakPolarHBondContact O-CB 3.39Å; Y13-Y17 PolarHBondContact O-N 2.8Å
14M71.9Confident61.4Low119 Ų119103.1 Ų103.159%0.58657%0.572SS**Hα-helixtrans-67.1-39.6173.3-72.2-61.8-162.800112.2T10 L11 Y17 I18T10-M14 WeakPolarHBondContact O-CG 3.45Å; T10-M14 PolarHBondContact O-N 2.87Å; L11-M14 PolarHBondContact O-N 2.8Å; M14-Y17 PolarHBondContact O-N 3.25Å; M14-I18 VanDerWaalsContact O-CG1 3.29Å; M14-I18 WeakPolarHBondContact O-CG1 3.49Å; M14-I18 PolarHBondContact O-N 3.42Å
15G68.7Low61.4Low34 Ų34105 Ų10535%0.35157%0.574SS.*Hα-helixtrans-60.7-44.6173.900000112.6L11 H12 I18 Q19L11-G15 PolarHBondContact O-N 3.26Å; H12-G15 PolarHBondContact O-N 3.03Å; G15-I18 PolarHBondContact O-N 2.85Å; G15-Q19 WeakPolarHBondContact O-CG 3.29Å; G15-Q19 PolarHBondContact O-N 2.64Å
16L67.4Low61.1Low104 Ų104111 Ų11155%0.54559%0.586SS.*Hα-helixtrans-65.5-39.2176.3-153.195.7000111.6H12 Y13 Q19 L20H12-L16 PolarHBondContact O-N 3.33Å; Y13-L16 PolarHBondContact O-N 2.74Å; L16-Q19 PolarHBondContact O-N 2.83Å; L16-L20 WeakPolarHBondContact O-CB 3.38Å; L16-L20 PolarHBondContact O-N 3.15Å
17Y70.2Confident60.2Low158 Ų158110.5 Ų110.562%0.6260%0.601SS**Hα-helixtrans-63.1-42176.5-173.3-97.9000112.2Y13 M14 L20 S21Y13-Y17 WeakPolarHBondContact O-CB 3.39Å; Y13-Y17 PolarHBondContact O-N 2.8Å; M14-Y17 PolarHBondContact O-N 3.25Å; Y17-L20 PolarHBondContact O-N 3.02Å; Y17-S21 PolarHBondContact O-N 3.48Å; Y17-S21 PolarHBondContact O-OG 3.01Å
18I68.3Low59.1Low112 Ų112109.3 Ų109.357%0.57461%0.613SS**Hα-helixtrans-68.5-38.9176.4-65.8170.2000111M14 G15 S21 A22M14-I18 VanDerWaalsContact O-CG1 3.29Å; M14-I18 WeakPolarHBondContact O-CG1 3.49Å; M14-I18 PolarHBondContact O-N 3.42Å; G15-I18 PolarHBondContact O-N 2.85Å; I18-S21 WeakPolarHBondContact CA-OG 3.3Å; I18-S21 PolarHBondContact O-N 2.82Å; I18-S21 PolarHBondContact O-OG 2.89Å; I18-A22 WeakPolarHBondContact O-CB 3.4Å; I18-A22 PolarHBondContact O-N 3.5Å
19Q60Low58.3Low132 Ų132114.4 Ų114.462%0.61763%0.631SS**Hα-helixtrans-68.1-37.1175.1-75.9-172.5-36.700113.1G15 L16 S21 A22 S23G15-Q19 WeakPolarHBondContact O-CG 3.29Å; G15-Q19 PolarHBondContact O-N 2.64Å; L16-Q19 PolarHBondContact O-N 2.83Å; Q19-S21 VanDerWaalsContact C-N 3.33Å; Q19-A22 PolarHBondContact O-N 2.77Å; Q19-S23 WeakPolarHBondContact O-CB 3.28Å; Q19-S23 PolarHBondContact O-N 2.74Å; Q19-S23 PolarHBondContact O-OG 3.08Å
20L57.9Low57.8Low119 Ų119117.3 Ų117.362%0.62365%0.652SS**Hα-helixtrans-66.1-36174.4-12476.9000111.8L16 Y17L16-L20 WeakPolarHBondContact O-CB 3.38Å; L16-L20 PolarHBondContact O-N 3.15Å; Y17-L20 PolarHBondContact O-N 3.02Å
21S58Low56.9Low58 Ų58121.1 Ų121.141%0.40666%0.664SS.*Hα-helixtrans-79.7-18.417739.80000113.8Y17 I18 Q19 T24Y17-S21 PolarHBondContact O-N 3.48Å; Y17-S21 PolarHBondContact O-OG 3.01Å; I18-S21 WeakPolarHBondContact CA-OG 3.3Å; I18-S21 PolarHBondContact O-N 2.82Å; I18-S21 PolarHBondContact O-OG 2.89Å; Q19-S21 VanDerWaalsContact C-N 3.33Å; S21-T24 PolarHBondContact O-OG1 2.88Å
22A54.4Low56.3Low64 Ų64122.3 Ų122.353%0.52968%0.676SS.*Hα-helixtrans-81.3-32.4168.300000112.7I18 Q19 T24 R25I18-A22 WeakPolarHBondContact O-CB 3.4Å; I18-A22 PolarHBondContact O-N 3.5Å; Q19-A22 PolarHBondContact O-N 2.77Å; A22-T24 VanDerWaalsContact C-N 3.28Å; A22-T24 PolarHBondContact O-N 2.95Å; A22-R25 PolarHBondContact O-N 2.7Å
23S51.6Low55.5Low95 Ų95122.3 Ų122.366%0.66468%0.676SS**Hα-helixtrans-74.1-16-177.9-58.70000113.7Q19 R25Q19-S23 WeakPolarHBondContact O-CB 3.28Å; Q19-S23 PolarHBondContact O-N 2.74Å; Q19-S23 PolarHBondContact O-OG 3.08Å; S23-R25 VanDerWaalsContact C-N 3.29Å
24T51.5Low54.4Low120 Ų120120.2 Ų120.274%0.73668%0.677SS**THydrogen-bonded Turntrans-84.12.7171.847.60000113.8S21 A22S21-T24 PolarHBondContact O-OG1 2.88Å; A22-T24 VanDerWaalsContact C-N 3.28Å; A22-T24 PolarHBondContact O-N 2.95Å
25R54.9Low52.7Low210 Ų210123 Ų12379%0.79269%0.688SS**THydrogen-bonded Turntrans-110.15.5-177.3-80.1-159.7157.9-142.4-5.5116.9A22 S23A22-R25 PolarHBondContact O-N 2.7Å; S23-R25 VanDerWaalsContact C-N 3.29Å
26Q48.9Very low51.6Low184 Ų184128.2 Ų128.286%0.8671%0.706SS**  trans-148.2103.4172.9-124.21119.200112.6
27G40.2Very low50.7Low88 Ų88127.6 Ų127.691%0.90771%0.71SS**  trans-175.373172.200000110.8
28G36.5Very low50.2Low74 Ų74122.9 Ų122.976%0.76371%0.71SS**SBendtrans162.494.3174.500000112.9
29H43.1Very low50.5Low185 Ų185122.3 Ų122.386%0.85671%0.708SS**  trans7.5126.8150.9-158.5-98.4000118E31H29-E31 PolarHBondContact O-N 2.9Å
30A49.7Very low51.8Low104 Ų104116.6 Ų116.686%0.8668%0.683SS**  trans-55.399.6175.400000112.1
31E44.9Very low53.5Low159 Ų159113.9 Ų113.974%0.74367%0.672SS**  trans-112.8135.6153.1-169.2166170.800106.3H29 E33H29-E31 PolarHBondContact O-N 2.9Å; E31-E33 PolarHBondContact O-N 3.11Å
32V51.2Low55.2Low142 Ų142112.7 Ų112.786%0.86166%0.659SS**  trans-7075-178.2179.80000108.3N34V32-N34 VanDerWaalsContact C-N 3.31Å; V32-N34 PolarHBondContact O-N 2.76Å; V32-N34 VanDerWaalsContact O-N 3.11Å
33E46Very low57.2Low132 Ų132113.7 Ų113.762%0.61766%0.659SS**  trans-84.783172.9-153.392.5-147.400107.5E31 H35E31-E33 PolarHBondContact O-N 3.11Å; E33-H35 PolarHBondContact O-N 2.89Å
34N46.1Very low59.3Low131 Ų131113.3 Ų113.370%0.70165%0.647SS**  trans-51.1112.3165.8-177.825.7000107.7V32 I36V32-N34 VanDerWaalsContact C-N 3.31Å; V32-N34 PolarHBondContact O-N 2.76Å; V32-N34 VanDerWaalsContact O-N 3.11Å; N34-I36 PolarHBondContact O-N 2.86Å
35H37.5Very low61.5Low178 Ų178110.1 Ų110.182%0.82463%0.627SS**  trans-56.3102.8178.6-62-69.3000109.7E33 S37E33-H35 PolarHBondContact O-N 2.89Å; H35-S37 VanDerWaalsContact C-N 3.34Å; H35-S37 PolarHBondContact O-N 3.01Å
36I45.5Very low63.5Low144 Ų144100.5 Ų100.574%0.73859%0.592SS**  trans-62.392.5177.1-65.2157.2000107.6N34N34-I36 PolarHBondContact O-N 2.86Å
37S48.2Very low65.7Low90 Ų9098 Ų9863%0.62958%0.58SS**  trans-67.4133.6150.3-175.70000106.5H35 N39H35-S37 VanDerWaalsContact C-N 3.34Å; H35-S37 PolarHBondContact O-N 3.01Å; S37-N39 PolarHBondContact O-N 2.78Å; S37-N39 PolarHBondContact O-OD1 3.46Å
38G59.1Low68.3Low59 Ų5999.7 Ų99.761%0.60857%0.568SS**  trans-67.267.1-179.800000112.9A66G38-A66 WeakPolarHBondContact O-CB 2.97Å
39N76.3Confident71.1Confident100 Ų10098.7 Ų98.754%0.53555%0.545SS..  trans-97.6131.6178.961-25.6000111S37S37-N39 PolarHBondContact O-N 2.78Å; S37-N39 PolarHBondContact O-OD1 3.46Å
40A87.1Confident73.6Confident12 Ų1293.7 Ų93.710%0.09953%0.527CS..  trans-67.913617200000109.2F63 R64 A66A40-F63 HydrophobicContact CB-CE1 4.19Å; A40-F63 HydrophobicContact CB-CE2 4.22Å; A40-F63 HydrophobicContact CB-CZ 3.52Å; A40-R64 CarbonylContact C-O 3.58Å; A40-R64 VanDerWaalsContact CA-O 3.25Å; A40-R64 WeakPolarHBondContact CA-O 3.43Å; A40-A66 HydrophobicContact CB-CB 3.93Å
41V92.1Very high75.9Confident62 Ų6289 Ų8938%0.37649%0.488SS..EExtended strand (participates in β ladder)trans-147.4143.1-168.868.70000111.8T43 F63 R64V41-T43 HydrophobicContact CG1-CG2 4.32Å; V41-T43 PolarHBondContact O-N 3.46Å; V41-F63 WeakPolarHBondContact O-CD2 3.36Å; V41-R64 HydrophobicContact CG1-CB 4.29Å; V41-R64 PolarHBondContact N-O 3.43Å; V41-R64 PolarHBondContact O-N 3.43Å
42F94.4Very high78.4Confident33 Ų3385.9 Ų85.915%0.14547%0.474CS..EExtended strand (participates in β ladder)trans-74.6119.8165.4-69.5-81.4000109.4V45 S62 F63 V140 H153 V155F42-V45 HydrophobicContact CB-CG1 3.59Å; F42-V45 HydrophobicContact CG-CG1 4.25Å; F42-S62 CarbonylContact C-O 3.56Å; F42-S62 WeakPolarHBondContact CA-O 3.39Å; F42-F63 HydrophobicContact CD1-CB 4.18Å; F42-F63 AromaticContact CD1-CD2 3.78Å; F42-F63 HydrophobicContact CD1-CD2 3.78Å; F42-F63 HydrophobicContact CD1-CG 4.48Å; F42-F63 HydrophobicContact CD2-CD2 4.2Å; F42-F63 HydrophobicContact CE1-CB 4.36Å; F42-F63 AromaticContact CE1-CD2 3.79Å; F42-F63 HydrophobicContact CE1-CD2 3.79Å; F42-F63 HydrophobicContact CE1-CG 4.49Å; F42-F63 HydrophobicContact CE2-CD2 4.22Å; F42-F63 HydrophobicContact CE2-CE2 4.35Å; F42-F63 AromaticContact CG-CD2 3.99Å; F42-F63 HydrophobicContact CG-CD2 3.99Å; F42-F63 HydrophobicContact CZ-CD2 4.01Å; F42-F63 HydrophobicContact CZ-CE2 4.38Å; F42-V140 HydrophobicContact CE1-CG2 3.88Å; F42-V140 HydrophobicContact CZ-CG2 4.39Å; F42-H153 HydrophobicContact CE2-CB 3.68Å; F42-H153 HydrophobicContact CZ-CB 3.62Å; F42-V155 HydrophobicContact CD1-CG1 4.28Å; F42-V155 HydrophobicContact CD1-CG2 3.93Å; F42-V155 HydrophobicContact CD2-CG1 3.57Å; F42-V155 HydrophobicContact CE1-CG1 4.37Å; F42-V155 HydrophobicContact CE1-CG2 3.82Å; F42-V155 HydrophobicContact CE2-CG1 3.67Å; F42-V155 HydrophobicContact CG-CG1 3.89Å; F42-V155 HydrophobicContact CG-CG2 4.36Å; F42-V155 HydrophobicContact CZ-CG1 4.09Å; F42-V155 HydrophobicContact CZ-CG2 4.15Å
43T95.7Very high80.6Confident86 Ų8680.9 Ų80.953%0.52845%0.445SS..EExtended strand (participates in β ladder)trans-89.5-19.3176.856.90000112.2V41 S62 R64V41-T43 HydrophobicContact CG1-CG2 4.32Å; V41-T43 PolarHBondContact O-N 3.46Å; T43-S62 PolarHBondContact N-O 2.85Å; T43-S62 VanDerWaalsContact OG1-CB 3.29Å; T43-S62 WeakPolarHBondContact OG1-CB 3.33Å; T43-S62 PolarHBondContact OG1-O 2.91Å; T43-R64 HydrophobicContact CG2-CB 3.93Å
44E97.3Very high83Confident87 Ų8776.7 Ų76.741%0.40744%0.437SS..EExtended strand (participates in β ladder)trans-144.5126.7172.3-171178.5-163.700107.8A60 C61 S62E44-A60 HydrophobicContact CG-CB 4.1Å; E44-A60 WeakPolarHBondContact OE1-CB 3.42Å; E44-C61 WeakPolarHBondContact O-CA 3.29Å; E44-S62 PolarHBondContact N-O 3.23Å; E44-S62 PolarHBondContact O-N 3.38Å; E44-S62 PolarHBondContact OE2-OG 3.24Å
45V96.6Very high85.4Confident52 Ų5275 Ų7532%0.31543%0.425SS..  trans-114.2145.6179.5-62.70000109.2F42 H47 A60 V155F42-V45 HydrophobicContact CB-CG1 3.59Å; F42-V45 HydrophobicContact CG-CG1 4.25Å; V45-H47 PolarHBondContact O-CE1 2.97Å; V45-H47 PolarHBondContact O-ND1 3.41Å; V45-H47 VanDerWaalsContact O-ND1 3.15Å; V45-A60 CarbonylContact C-O 3.57Å; V45-V155 HydrophobicContact CB-CG2 4.49Å; V45-V155 HydrophobicContact CG1-CB 4.38Å; V45-V155 HydrophobicContact CG1-CG1 3.88Å; V45-V155 HydrophobicContact CG1-CG2 4.35Å
46P96.8Very high88.3Confident8 Ų872.2 Ų72.25%0.05242%0.416CS..  trans-69.6152.3171.632.5-35.4000110.2M59 W76 V155 A157P46-M59 HydrophobicContact CB-CB 4.14Å; P46-M59 HydrophobicContact CB-CG 4.42Å; P46-W76 HydrophobicContact CB-CH2 3.78Å; P46-W76 HydrophobicContact CB-CZ3 4.48Å; P46-W76 HydrophobicContact CG-CH2 3.82Å; P46-W76 HydrophobicContact CG-CZ3 4.31Å; P46-V155 HydrophobicContact CG-CG2 4.2Å; P46-A157 HydrophobicContact CB-CB 3.72Å; P46-A157 HydrophobicContact CG-CB 4.09Å
47H94.9Very high90.8Very high132 Ų13265.8 Ų65.861%0.61138%0.383SS*.  trans-119.6155.3-178.9-55.186.6000109.6V45 I49 A157V45-H47 PolarHBondContact O-CE1 2.97Å; V45-H47 PolarHBondContact O-ND1 3.41Å; V45-H47 VanDerWaalsContact O-ND1 3.15Å; H47-I49 WeakPolarHBondContact O-CG1 3.34Å; H47-I49 PolarHBondContact O-N 2.84Å; H47-A157 VanDerWaalsContact C-CB 3.44Å; H47-A157 WeakPolarHBondContact O-CB 3.14Å
48D95.4Very high93.2Very high123 Ų12365.4 Ų65.466%0.65837%0.372SS*.  trans-62134.9174.1-64.5-10.6000110.3A157 Y158D48-A157 WeakPolarHBondContact OD1-CA 3.41Å; D48-Y158 CarbonylContact C-O 3.59Å; D48-Y158 VanDerWaalsContact CA-O 3.26Å; D48-Y158 WeakPolarHBondContact CA-O 3.19Å; D48-Y158 PolarHBondContact OD1-N 2.78Å
49I95.3Very high95.1Very high54 Ų5462.8 Ų62.828%0.27734%0.344SS..EExtended strand (participates in β ladder)trans-130.9135.4-175.8-65.6165.9000108.9H47 V57 M59 Y158 L159 Q160H47-I49 WeakPolarHBondContact O-CG1 3.34Å; H47-I49 PolarHBondContact O-N 2.84Å; I49-V57 HydrophobicContact CD1-CG1 3.89Å; I49-V57 HydrophobicContact CG2-CG1 4.33Å; I49-M59 HydrophobicContact CD1-CG 3.94Å; I49-Y158 PolarHBondContact N-O 2.96Å; I49-L159 HydrophobicContact CB-CD1 4.35Å; I49-L159 HydrophobicContact CG2-CD1 4.24Å; I49-L159 WeakPolarHBondContact O-CA 3.1Å; I49-Q160 PolarHBondContact O-N 2.92Å
50T96.5Very high96.1Very high80 Ų8058.7 Ų58.749%0.49132%0.324SS..EExtended strand (participates in β ladder)trans-104.8123.7164.7-53.10000108.5Q160 E162T50-Q160 WeakPolarHBondContact CA-O 3.45Å; T50-Q160 HydrophobicContact CG2-CB 4.27Å; T50-Q160 HydrophobicContact CG2-CG 4.3Å; T50-E162 HydrophobicContact CG2-CG 3.83Å
51A96.7Very high96.6Very high4 Ų458.1 Ų58.13%0.03332%0.319CS..EExtended strand (participates in β ladder)trans-125.5150.5179.200000110.4Q55 V57 V128 L159 Q160 V161 E162A51-Q55 HydrophobicContact CB-CB 4.48Å; A51-V57 HydrophobicContact CB-CG2 3.56Å; A51-V128 HydrophobicContact CB-CG2 3.99Å; A51-L159 HydrophobicContact CB-CD1 4.13Å; A51-Q160 PolarHBondContact N-O 3.41Å; A51-V161 CarbonylContact O-C 3.51Å; A51-V161 VanDerWaalsContact O-CA 3.28Å; A51-V161 WeakPolarHBondContact O-CA 3.4Å; A51-E162 PolarHBondContact O-N 3.18Å
52Q97.3Very high96.9Very high95 Ų9555.9 Ų55.944%0.44431%0.306SS..EExtended strand (participates in β ladder)trans-81149168.2-62.6-172.617.800110.3G54 Q55 E162Q52-G54 PolarHBondContact O-N 2.79Å; Q52-Q55 HydrophobicContact CB-CG 4.15Å; Q52-Q55 VanDerWaalsContact O-CB 3.3Å; Q52-Q55 WeakPolarHBondContact O-CB 3.39Å; Q52-Q55 WeakPolarHBondContact O-CG 3.26Å; Q52-Q55 PolarHBondContact O-N 2.85Å; Q52-E162 CarbonylContact C-O 3.54Å
53S96.8Very high97Very high37 Ų3754.4 Ų54.426%0.25930%0.3SS..THydrogen-bonded Turntrans-52.3131.3173.6-175.50000110.7V128 E162S53-V128 CarbonylContact C-O 3.49Å; S53-V128 VanDerWaalsContact CA-O 3.29Å; S53-V128 WeakPolarHBondContact CA-O 3.47Å; S53-E162 PolarHBondContact N-O 3.06Å
54G96.8Very high96.9Very high43 Ų4357 Ų5744%0.44330%0.3SS..THydrogen-bonded Turntrans89.8-7.7-176.800000115.1Q52 S127 V128Q52-G54 PolarHBondContact O-N 2.79Å; G54-S127 WeakPolarHBondContact O-CA 3.33Å; G54-V128 PolarHBondContact N-O 3.13Å
55Q97.9Very high96.5Very high95 Ų9553.2 Ų53.244%0.44428%0.284SS..  trans-76.7157.6173.2-67.1-173.1-4800112.4A51 Q52 S127 V128A51-Q55 HydrophobicContact CB-CB 4.48Å; Q52-Q55 HydrophobicContact CB-CG 4.15Å; Q52-Q55 VanDerWaalsContact O-CB 3.3Å; Q52-Q55 WeakPolarHBondContact O-CB 3.39Å; Q52-Q55 WeakPolarHBondContact O-CG 3.26Å; Q52-Q55 PolarHBondContact O-N 2.85Å; Q55-S127 WeakPolarHBondContact O-CA 3.33Å; Q55-S127 PolarHBondContact O-N 2.89Å; Q55-V128 WeakPolarHBondContact O-CG2 3.38Å; Q55-V128 PolarHBondContact O-N 3.1Å
56D98.1Very high95.7Very high120 Ų12052.7 Ų52.764%0.64229%0.285SS*.  trans-93138.2170.2-66.7-10.3000109.5L125 S126 S127D56-L125 CarbonylContact C-O 3.5Å; D56-L125 WeakPolarHBondContact CA-O 3.2Å; D56-S126 WeakPolarHBondContact OD1-CA 3.4Å; D56-S127 PolarHBondContact OD1-N 2.95Å
57V98.1Very high94.5Very high9 Ų954.3 Ų54.36%0.05530%0.304CS..EExtended strand (participates in β ladder)trans-122.3139-179.5173.80000109.7I49 A51 M59 R124 L125 V128 L159I49-V57 HydrophobicContact CD1-CG1 3.89Å; I49-V57 HydrophobicContact CG2-CG1 4.33Å; A51-V57 HydrophobicContact CB-CG2 3.56Å; V57-M59 HydrophobicContact CG1-CE 4.2Å; V57-M59 HydrophobicContact CG1-CG 4.47Å; V57-R124 WeakPolarHBondContact O-CA 3.36Å; V57-L125 HydrophobicContact CB-CB 4.41Å; V57-L125 PolarHBondContact N-O 3.23Å; V57-L125 PolarHBondContact O-N 2.7Å; V57-V128 HydrophobicContact CB-CG1 4.16Å; V57-V128 HydrophobicContact CG2-CG1 3.84Å; V57-V128 HydrophobicContact CG2-CG2 4.35Å; V57-L159 HydrophobicContact CG1-CD1 4.21Å; V57-L159 HydrophobicContact CG2-CD1 3.97Å
58E98.3Very high93.2Very high82 Ų8252.8 Ų52.838%0.38331%0.305SS..EExtended strand (participates in β ladder)trans-127.2129.2177.3-170.4175102.100110.3K122 L123 R124E58-K122 HydrophobicContact CG-CD 3.68Å; E58-K122 HydrophobicContact CG-CG 3.4Å; E58-K122 VanDerWaalsContact CG-CG 3.4Å; E58-K122 WeakPolarHBondContact OE1-CD 3.26Å; E58-K122 WeakPolarHBondContact OE1-CE 3.48Å; E58-K122 IonicContact OE1-NZ 2.64Å; E58-K122 PolarHBondContact OE1-NZ 2.66Å; E58-K122 WeakPolarHBondContact OE2-CD 3.5Å; E58-L123 CarbonylContact C-O 3.51Å; E58-L123 WeakPolarHBondContact CA-O 3.39Å; E58-R124 HydrophobicContact CG-CG 4.12Å; E58-R124 IonicContact OE2-CZ 3.22Å; E58-R124 VanDerWaalsContact OE2-CZ 3.22Å; E58-R124 IonicContact OE2-NE 2.66Å; E58-R124 PolarHBondContact OE2-NE 3.35Å; E58-R124 IonicContact OE2-NH2 2.85Å; E58-R124 PolarHBondContact OE2-NH2 2.73Å
59M98Very high91.8Very high4 Ų447.1 Ų47.12%0.0228%0.275CS..EExtended strand (participates in β ladder)trans-125.1123.7176.5-74174.6-87.200109.4P46 I49 V57 W76 K122 L123 L125 Y136 A157P46-M59 HydrophobicContact CB-CB 4.14Å; P46-M59 HydrophobicContact CB-CG 4.42Å; I49-M59 HydrophobicContact CD1-CG 3.94Å; V57-M59 HydrophobicContact CG1-CE 4.2Å; V57-M59 HydrophobicContact CG1-CG 4.47Å; M59-W76 HydrophobicContact CB-CH2 3.8Å; M59-W76 HydrophobicContact CB-CZ2 4.24Å; M59-W76 HydrophobicContact CB-CZ3 4.44Å; M59-W76 WeakPolarHBondContact O-CZ2 3.24Å; M59-K122 CarbonylContact O-C 3.59Å; M59-K122 WeakPolarHBondContact O-CA 3.48Å; M59-L123 HydrophobicContact CB-CB 4.4Å; M59-L123 HydrophobicContact CE-CD2 3.72Å; M59-L123 HydrophobicContact CE-CG 4.43Å; M59-L123 PolarHBondContact N-O 3.42Å; M59-L123 PolarHBondContact O-N 2.85Å; M59-L125 HydrophobicContact CE-CD1 3.69Å; M59-Y136 HydrophobicContact CE-CD1 4.02Å; M59-Y136 HydrophobicContact CE-CD2 3.73Å; M59-Y136 HydrophobicContact CE-CE1 4.45Å; M59-Y136 HydrophobicContact CE-CE2 4.21Å; M59-Y136 HydrophobicContact CE-CG 3.61Å; M59-Y136 HydrophobicContact SD-CD2 4.26Å; M59-Y136 HydrophobicContact SD-CG 4.12Å; M59-A157 HydrophobicContact SD-CB 4.15Å
60A98.1Very high90.7Very high14 Ų1452.6 Ų52.612%0.11629%0.294CS..EExtended strand (participates in β ladder)trans-102.5146-179.300000111.4E44 V45E44-A60 HydrophobicContact CG-CB 4.1Å; E44-A60 WeakPolarHBondContact OE1-CB 3.42Å; V45-A60 CarbonylContact C-O 3.57Å
61C98.4Very high90.3Very high0 Ų051 Ų510%029%0.285CS..EExtended strand (participates in β ladder)trans-143.3123.6174.1-177.10000109E44 I74 W76 S120 H121 C138E44-C61 WeakPolarHBondContact O-CA 3.29Å; C61-I74 HydrophobicContact CB-CD1 4.13Å; C61-I74 WeakPolarHBondContact O-CD1 3.09Å; C61-W76 HydrophobicContact CB-CH2 4.19Å; C61-W76 HydrophobicContact CB-CZ2 3.59Å; C61-S120 CarbonylContact O-C 3.52Å; C61-S120 WeakPolarHBondContact O-CA 3.44Å; C61-H121 PolarHBondContact N-O 3.22Å; C61-H121 PolarHBondContact O-N 2.84Å; C61-C138 HydrophobicContact CB-CB 3.62Å; C61-C138 WeakPolarHBondContact CB-SG 3.31Å; C61-C138 WeakPolarHBondContact SG-CB 3.19Å; C61-C138 CovalentContact SG-SG 2.03Å; C61-C138 PolarHBondContact SG-SG 3.45Å
62S98.1Very high90.2Very high16 Ų1650.8 Ų50.811%0.11228%0.284CS..EExtended strand (participates in β ladder)trans-131.2139.3179.4-59.30000109.9F42 T43 E44 I119 S120F42-S62 CarbonylContact C-O 3.56Å; F42-S62 WeakPolarHBondContact CA-O 3.39Å; T43-S62 PolarHBondContact N-O 2.85Å; T43-S62 VanDerWaalsContact OG1-CB 3.29Å; T43-S62 WeakPolarHBondContact OG1-CB 3.33Å; T43-S62 PolarHBondContact OG1-O 2.91Å; E44-S62 PolarHBondContact N-O 3.23Å; E44-S62 PolarHBondContact O-N 3.38Å; E44-S62 PolarHBondContact OE2-OG 3.24Å; S62-I119 CarbonylContact C-O 3.51Å; S62-I119 WeakPolarHBondContact CA-O 3.2Å; S62-S120 VanDerWaalsContact OG-CB 3.24Å; S62-S120 WeakPolarHBondContact OG-CB 3.33Å
63F95.6Very high90.1Very high2 Ų246.8 Ų46.81%0.00927%0.265CS..EExtended strand (participates in β ladder)trans-138.6139.8-173.4-178.5-91.9000111.3A40 V41 F42 L72 N118 I119 V140 H153A40-F63 HydrophobicContact CB-CE1 4.19Å; A40-F63 HydrophobicContact CB-CE2 4.22Å; A40-F63 HydrophobicContact CB-CZ 3.52Å; V41-F63 WeakPolarHBondContact O-CD2 3.36Å; F42-F63 HydrophobicContact CD1-CB 4.18Å; F42-F63 AromaticContact CD1-CD2 3.78Å; F42-F63 HydrophobicContact CD1-CD2 3.78Å; F42-F63 HydrophobicContact CD1-CG 4.48Å; F42-F63 HydrophobicContact CD2-CD2 4.2Å; F42-F63 HydrophobicContact CE1-CB 4.36Å; F42-F63 AromaticContact CE1-CD2 3.79Å; F42-F63 HydrophobicContact CE1-CD2 3.79Å; F42-F63 HydrophobicContact CE1-CG 4.49Å; F42-F63 HydrophobicContact CE2-CD2 4.22Å; F42-F63 HydrophobicContact CE2-CE2 4.35Å; F42-F63 AromaticContact CG-CD2 3.99Å; F42-F63 HydrophobicContact CG-CD2 3.99Å; F42-F63 HydrophobicContact CZ-CD2 4.01Å; F42-F63 HydrophobicContact CZ-CE2 4.38Å; F63-L72 HydrophobicContact CD1-CD1 4.21Å; F63-L72 HydrophobicContact CE1-CD2 4.27Å; F63-N118 WeakPolarHBondContact O-CA 3.42Å; F63-I119 HydrophobicContact CB-CG2 4.04Å; F63-I119 PolarHBondContact N-O 2.79Å; F63-I119 PolarHBondContact O-N 2.82Å; F63-V140 HydrophobicContact CB-CG1 4.34Å; F63-V140 HydrophobicContact CB-CG2 3.83Å; F63-V140 HydrophobicContact CD1-CB 4.31Å; F63-V140 HydrophobicContact CD1-CG1 3.54Å; F63-V140 HydrophobicContact CD2-CB 4.35Å; F63-V140 HydrophobicContact CD2-CG1 4.43Å; F63-V140 HydrophobicContact CD2-CG2 4.33Å; F63-V140 HydrophobicContact CE1-CG1 3.78Å; F63-V140 HydrophobicContact CG-CB 4.15Å; F63-V140 HydrophobicContact CG-CG1 3.87Å; F63-V140 HydrophobicContact CG-CG2 4Å; F63-V140 HydrophobicContact CZ-CG1 4.32Å; F63-H153 HydrophobicContact CD2-CB 4.44Å; F63-H153 HydrophobicContact CE2-CB 3.7Å; F63-H153 AromaticContact CE2-CD2 3.83Å; F63-H153 AromaticContact CE2-CG 3.53Å; F63-H153 AromaticContact CE2-ND1 3.92Å; F63-H153 HydrophobicContact CZ-CB 4.16Å; F63-H153 AromaticContact CZ-CD2 3.38Å; F63-H153 WeakPolarHBondContact CZ-CD2 3.41Å; F63-H153 AromaticContact CZ-CG 3.6Å; F63-H153 AromaticContact CZ-NE2 3.74Å
64R93.7Very high90.2Very high140 Ų14045 Ų4553%0.52825%0.253SS..EExtended strand (participates in β ladder)trans-116.9120.1173.5175.2178.9-79-175-3108.8A40 V41 T43 S117 N118A40-R64 CarbonylContact C-O 3.58Å; A40-R64 VanDerWaalsContact CA-O 3.25Å; A40-R64 WeakPolarHBondContact CA-O 3.43Å; V41-R64 HydrophobicContact CG1-CB 4.29Å; V41-R64 PolarHBondContact N-O 3.43Å; V41-R64 PolarHBondContact O-N 3.43Å; T43-R64 HydrophobicContact CG2-CB 3.93Å; R64-S117 CarbonylContact C-O 3.48Å; R64-S117 WeakPolarHBondContact CA-O 3.34Å; R64-N118 WeakPolarHBondContact CG-OD1 3.35Å; R64-N118 PolarHBondContact NE-OD1 2.83Å
65G88.9Confident90.2Very high7 Ų743.7 Ų43.77%0.07224%0.235CC..  trans-71.3163.7177.500000113.8G67 S117G65-G67 PolarHBondContact O-N 3.35Å; G65-S117 PolarHBondContact N-O 2.81Å
66A79.3Confident90.2Very high41 Ų4139.2 Ų39.234%0.33921%0.214SC..SBendtrans-82.593.6177.500000110.4G38 A40G38-A66 WeakPolarHBondContact O-CB 2.97Å; A40-A66 HydrophobicContact CB-CB 3.93Å
67G72.4Confident90.1Very high43 Ų4335.3 Ų35.344%0.44319%0.19SC..SBendtrans83.3-154.617800000113.3G65 S69 S117G65-G67 PolarHBondContact O-N 3.35Å; G67-S69 VanDerWaalsContact C-N 3.25Å; G67-S69 PolarHBondContact O-N 2.92Å; G67-S117 VanDerWaalsContact O-CB 3.28Å; G67-S117 WeakPolarHBondContact O-CB 3.32Å
68P68.6Low90Very high99 Ų9936.5 Ų36.564%0.64319%0.194SC*.  trans-73.281178.530.8-32.7000109.8Y70P68-Y70 PolarHBondContact O-N 2.83Å
69S64.1Low89.6Confident4 Ų433.2 Ų33.23%0.02818%0.179CC..  trans-65.9116167.2-52.50000108.5G67 S71 G116 D142G67-S69 VanDerWaalsContact C-N 3.25Å; G67-S69 PolarHBondContact O-N 2.92Å; S69-S71 VanDerWaalsContact C-N 3.27Å; S69-S71 PolarHBondContact O-N 3.23Å; S69-G116 CarbonylContact O-C 3.56Å; S69-G116 VanDerWaalsContact O-C 3.23Å; S69-D142 WeakPolarHBondContact CB-OD1 3.34Å; S69-D142 PolarHBondContact OG-OD1 2.94Å; S69-D142 PolarHBondContact OG-OD2 2.65Å
70Y73.1Confident88.6Confident170 Ų17041.3 Ų41.367%0.66721%0.209SC*.SBendtrans-68.6-30.3-179.3-61.4-77.2000111.5P68P68-Y70 PolarHBondContact O-N 2.83Å
71S89.1Confident87.1Confident45 Ų4546.1 Ų46.132%0.31523%0.233SC..  trans-156.5143.4169.960.20000112.9S69 V114 F143S69-S71 VanDerWaalsContact C-N 3.27Å; S69-S71 PolarHBondContact O-N 3.23Å; S71-V114 WeakPolarHBondContact CA-O 3.02Å; S71-F143 PolarHBondContact O-N 2.82Å; S71-F143 VanDerWaalsContact O-N 3.11Å; S71-F143 WeakPolarHBondContact OG-CB 3.43Å
72L93.6Very high85.3Confident0 Ų047 Ų470%024%0.237CC..EExtended strand (participates in β ladder)trans-122.1145.2174.5-64178000109.9F63 K113 V114 G116 I119 I141 D142F63-L72 HydrophobicContact CD1-CD1 4.21Å; F63-L72 HydrophobicContact CE1-CD2 4.27Å; L72-K113 CarbonylContact O-C 3.56Å; L72-K113 VanDerWaalsContact O-CA 3.28Å; L72-K113 WeakPolarHBondContact O-CA 3.45Å; L72-V114 HydrophobicContact CB-CG2 4.2Å; L72-V114 PolarHBondContact N-O 3.26Å; L72-V114 PolarHBondContact O-N 3.38Å; L72-G116 WeakPolarHBondContact CG-O 3.43Å; L72-I119 HydrophobicContact CB-CB 4.22Å; L72-I119 HydrophobicContact CB-CD1 4.12Å; L72-I119 HydrophobicContact CB-CG2 4.09Å; L72-I119 HydrophobicContact CD1-CB 4.11Å; L72-I119 HydrophobicContact CD1-CG2 3.87Å; L72-I141 WeakPolarHBondContact CA-O 3.21Å; L72-D142 HydrophobicContact CD2-CB 3.66Å; L72-D142 WeakPolarHBondContact CD2-OD1 3.28Å
73E95.7Very high83.3Confident12 Ų1256.2 Ų56.26%0.05627%0.27CS..EExtended strand (participates in β ladder)trans-126122.6169.4174.1173.3162.100110.3Q75 K108 V111 V112 K113 V140 I141 F143E73-Q75 HydrophobicContact CG-CG 3.99Å; E73-Q75 PolarHBondContact OE1-NE2 2.03Å; E73-K108 IonicContact OE1-NZ 3.34Å; E73-K108 PolarHBondContact OE1-NZ 2.86Å; E73-V111 HydrophobicContact CG-CG2 3.65Å; E73-V111 WeakPolarHBondContact OE1-CG2 3.48Å; E73-V112 CarbonylContact C-O 3.58Å; E73-V112 WeakPolarHBondContact CA-O 3.5Å; E73-K113 HydrophobicContact CB-CD 4.3Å; E73-K113 HydrophobicContact CB-CG 3.97Å; E73-K113 HydrophobicContact CG-CD 4.31Å; E73-K113 HydrophobicContact CG-CG 3.88Å; E73-K113 WeakPolarHBondContact OE2-CD 3.35Å; E73-K113 WeakPolarHBondContact OE2-CE 3.01Å; E73-K113 IonicContact OE2-NZ 2.66Å; E73-K113 PolarHBondContact OE2-NZ 2.84Å; E73-V140 CarbonylContact O-C 3.59Å; E73-V140 VanDerWaalsContact O-CA 3.29Å; E73-V140 WeakPolarHBondContact O-CA 3.45Å; E73-I141 HydrophobicContact CB-CB 4.35Å; E73-I141 PolarHBondContact N-O 3.25Å; E73-I141 PolarHBondContact O-N 2.85Å; E73-F143 HydrophobicContact CB-CE2 3.75Å; E73-F143 HydrophobicContact CB-CZ 4.41Å
74I97.4Very high81.2Confident0 Ų061.6 Ų61.60%030%0.299CS..EExtended strand (participates in β ladder)trans-107.2135174.7-171.4163.5000109.5C61 V111 V112 I119 H121 R139 V140C61-I74 HydrophobicContact CB-CD1 4.13Å; C61-I74 WeakPolarHBondContact O-CD1 3.09Å; I74-V111 CarbonylContact O-C 3.52Å; I74-V111 WeakPolarHBondContact O-CA 3.32Å; I74-V112 HydrophobicContact CG2-CB 3.78Å; I74-V112 HydrophobicContact CG2-CG1 4.44Å; I74-V112 PolarHBondContact N-O 2.77Å; I74-V112 PolarHBondContact O-N 3.39Å; I74-I119 HydrophobicContact CB-CD1 3.72Å; I74-I119 HydrophobicContact CB-CG1 4.13Å; I74-I119 HydrophobicContact CB-CG2 4.21Å; I74-I119 HydrophobicContact CD1-CG2 4.46Å; I74-I119 HydrophobicContact CG2-CD1 3.35Å; I74-I119 HydrophobicContact CG2-CG1 3.65Å; I74-H121 HydrophobicContact CB-CB 4.47Å; I74-H121 HydrophobicContact CD1-CB 3.78Å; I74-H121 HydrophobicContact CG1-CB 4.06Å; I74-H121 HydrophobicContact CG2-CB 3.55Å; I74-R139 CarbonylContact C-O 3.54Å; I74-R139 WeakPolarHBondContact CA-O 3.45Å; I74-V140 HydrophobicContact CB-CG2 4.16Å; I74-V140 HydrophobicContact CD1-CG2 4.03Å; I74-V140 HydrophobicContact CG1-CG2 3.85Å
75Q98.2Very high79.2Confident15 Ų1558.6 Ų58.67%0.0729%0.287CS..EExtended strand (participates in β ladder)trans-132.4139.5-176.6-52.4175.21100110.3E73 K108 S110 V111 C138 R139E73-Q75 HydrophobicContact CG-CG 3.99Å; E73-Q75 PolarHBondContact OE1-NE2 2.03Å; Q75-K108 VanDerWaalsContact CD-NZ 3.25Å; Q75-S110 CarbonylContact C-O 3.49Å; Q75-S110 VanDerWaalsContact CA-O 3.26Å; Q75-S110 WeakPolarHBondContact CA-O 3.36Å; Q75-V111 HydrophobicContact CG-CB 4.35Å; Q75-V111 HydrophobicContact CG-CG2 4.03Å; Q75-C138 WeakPolarHBondContact O-CA 3.44Å; Q75-R139 HydrophobicContact CB-CB 4.4Å; Q75-R139 PolarHBondContact N-O 2.8Å; Q75-R139 PolarHBondContact O-N 2.96Å
76W98.1Very high77.4Confident0 Ų062.7 Ų62.70%031%0.311CS..EExtended strand (participates in β ladder)trans-100.4135.7166.8-79.9102.8000110.5P46 M59 C61 I109 S110 H121 L123 E137 C138P46-W76 HydrophobicContact CB-CH2 3.78Å; P46-W76 HydrophobicContact CB-CZ3 4.48Å; P46-W76 HydrophobicContact CG-CH2 3.82Å; P46-W76 HydrophobicContact CG-CZ3 4.31Å; M59-W76 HydrophobicContact CB-CH2 3.8Å; M59-W76 HydrophobicContact CB-CZ2 4.24Å; M59-W76 HydrophobicContact CB-CZ3 4.44Å; M59-W76 WeakPolarHBondContact O-CZ2 3.24Å; C61-W76 HydrophobicContact CB-CH2 4.19Å; C61-W76 HydrophobicContact CB-CZ2 3.59Å; W76-I109 HydrophobicContact CB-CB 4.17Å; W76-I109 HydrophobicContact CB-CD1 4.46Å; W76-I109 PolarHBondContact O-N 2.77Å; W76-S110 WeakPolarHBondContact CB-OG 3.48Å; W76-S110 PolarHBondContact N-O 2.95Å; W76-S110 PolarHBondContact O-N 2.77Å; W76-H121 AromaticContact CD1-CE1 3.97Å; W76-H121 AromaticContact CD1-CG 3.77Å; W76-H121 AromaticContact CD1-ND1 3.69Å; W76-H121 AromaticContact NE1-CG 3.85Å; W76-H121 PolarHBondContact NE1-O 2.8Å; W76-L123 HydrophobicContact CD2-CB 3.69Å; W76-L123 HydrophobicContact CD2-CD2 4.06Å; W76-L123 HydrophobicContact CD2-CG 4.43Å; W76-L123 HydrophobicContact CE3-CB 4.21Å; W76-L123 HydrophobicContact CE3-CD2 3.84Å; W76-L123 HydrophobicContact CG-CB 3.93Å; W76-L123 HydrophobicContact CG-CD2 4.41Å; W76-L123 HydrophobicContact CZ2-CB 4.05Å; W76-L123 HydrophobicContact CZ3-CD2 4.31Å; W76-E137 WeakPolarHBondContact CA-O 3.47Å; W76-C138 HydrophobicContact CE3-CB 4.32Å; W76-C138 HydrophobicContact CH2-CB 4.06Å; W76-C138 HydrophobicContact CZ2-CB 4.25Å; W76-C138 HydrophobicContact CZ3-CB 4.09Å
77W96.4Very high75.9Confident38 Ų3869.1 Ų69.114%0.14433%0.334CS..EExtended strand (participates in β ladder)trans-130142.2178.5-70.877.5000110.7A106 T107 K108 Y136 E137W77-A106 HydrophobicContact CE3-CB 3.65Å; W77-A106 HydrophobicContact CZ3-CB 4.09Å; W77-A106 WeakPolarHBondContact CZ3-O 3.37Å; W77-T107 CarbonylContact C-O 3.59Å; W77-T107 VanDerWaalsContact CA-O 3.26Å; W77-T107 WeakPolarHBondContact CA-O 3.41Å; W77-T107 VanDerWaalsContact CE3-C 3.43Å; W77-K108 HydrophobicContact CD2-CB 3.93Å; W77-K108 HydrophobicContact CD2-CG 4.32Å; W77-K108 HydrophobicContact CE3-CB 3.94Å; W77-K108 VanDerWaalsContact CE3-N 3.28Å; W77-K108 HydrophobicContact CH2-CB 3.77Å; W77-K108 HydrophobicContact CH2-CD 4.37Å; W77-K108 HydrophobicContact CH2-CG 4.44Å; W77-K108 HydrophobicContact CZ2-CB 3.74Å; W77-K108 HydrophobicContact CZ2-CD 3.75Å; W77-K108 HydrophobicContact CZ2-CG 3.92Å; W77-K108 HydrophobicContact CZ3-CB 3.86Å; W77-Y136 CarbonylContact O-C 3.59Å; W77-Y136 WeakPolarHBondContact O-CA 3.47Å; W77-E137 HydrophobicContact CB-CB 4.29Å; W77-E137 PolarHBondContact N-O 2.73Å; W77-E137 PolarHBondContact O-N 3.1Å
78Y94.8Very high74.7Confident35 Ų3575.4 Ų75.414%0.13735%0.349CS..EExtended strand (participates in β ladder)trans-102.7127.4168.6173.8-111.6000109.2R80 A106 T107 E133 Y136Y78-R80 HydrophobicContact CE1-CB 4.19Å; Y78-A106 CarbonylContact O-C 3.6Å; Y78-A106 VanDerWaalsContact O-CA 3.32Å; Y78-A106 WeakPolarHBondContact O-CA 3.47Å; Y78-T107 PolarHBondContact N-O 2.82Å; Y78-T107 PolarHBondContact O-N 3Å; Y78-E133 PolarHBondContact OH-O 2.83Å; Y78-Y136 HydrophobicContact CD2-CD1 4.25Å; Y78-Y136 HydrophobicContact CD2-CD2 4.49Å; Y78-Y136 AromaticContact CD2-CE1 3.77Å; Y78-Y136 HydrophobicContact CD2-CE1 3.77Å; Y78-Y136 AromaticContact CD2-CE2 3.99Å; Y78-Y136 HydrophobicContact CD2-CE2 3.99Å; Y78-Y136 AromaticContact CD2-CZ 3.64Å; Y78-Y136 HydrophobicContact CE2-CE2 4.21Å; Y78-Y136 HydrophobicContact CG-CE1 4.43Å
79I90.3Very high73.5Confident13 Ų1373.6 Ų73.67%0.06733%0.332CS..EExtended strand (participates in β ladder)trans-109114178.3-53.3179.4000108.2A106 T135 E137I79-A106 HydrophobicContact CG1-CB 4.25Å; I79-T135 PolarHBondContact N-O 3.47Å; I79-E137 HydrophobicContact CD1-CB 4.15Å
80R77.8Confident72.4Confident173 Ų17379.7 Ų79.765%0.65337%0.371SS*.SBendtrans-74.1138.2177.2-170.9179-73.6-163.6-1.8109.5Y78 D105Y78-R80 HydrophobicContact CE1-CB 4.19Å; R80-D105 PolarHBondContact N-O 2.99Å
81N65.9Low71.4Confident115 Ų11573.9 Ų73.962%0.61535%0.348SS*.  trans65.869.2173-158.646.3000115.7
82H61.3Low69.2Low19 Ų1978.4 Ų78.49%0.08837%0.374CS..  trans-84.8-8-174.8-168.8-94.6000116.2D84 W85 T86 T135 Y158H82-D84 PolarHBondContact O-N 2.89Å; H82-D84 VanDerWaalsContact O-N 3.1Å; H82-W85 PolarHBondContact O-N 2.85Å; H82-T86 PolarHBondContact CE1-OG1 3.47Å; H82-T86 PolarHBondContact ND1-OG1 3.39Å; H82-T86 PolarHBondContact O-N 3.01Å; H82-T86 PolarHBondContact O-OG1 3.05Å; H82-T135 WeakPolarHBondContact CB-OG1 3.29Å; H82-T135 WeakPolarHBondContact CD2-CB 3.47Å; H82-T135 PolarHBondContact CD2-OG1 2.65Å; H82-T135 PolarHBondContact ND1-OG1 2.97Å; H82-Y158 HydrophobicContact CB-CD2 4.48Å; H82-Y158 HydrophobicContact CB-CE2 4.24Å
83R54.8Low66.9Low209 Ų20980.1 Ų80.179%0.78939%0.386SS*.THydrogen-bonded Turntrans-56.5-35.4-172.6-110.1-177.5170.4-165.3-3.2113.4W85R83-W85 VanDerWaalsContact C-N 3.3Å; R83-W85 PolarHBondContact O-N 2.87Å
84D51.7Low64.6Low116 Ų11684.9 Ų84.962%0.6241%0.412SS*.THydrogen-bonded Turntrans-79.9-11.3-178.6-53.9-30.6000113.6H82H82-D84 PolarHBondContact O-N 2.89Å; H82-D84 VanDerWaalsContact O-N 3.1Å
85W51.6Low61.9Low77 Ų7790 Ų9029%0.29244%0.436SS..THydrogen-bonded Turntrans-96.7-32.9-174.8-101.595000113.9H82 R83 E87 K88 R102H82-W85 PolarHBondContact O-N 2.85Å; R83-W85 VanDerWaalsContact C-N 3.3Å; R83-W85 PolarHBondContact O-N 2.87Å; W85-E87 PolarHBondContact O-N 3.35Å; W85-K88 PolarHBondContact O-N 3.36Å; W85-R102 HydrophobicContact CH2-CG 4.49Å; W85-R102 HydrophobicContact CZ2-CB 4.44Å; W85-R102 HydrophobicContact CZ2-CG 4.11Å
86T51Low59.5Low92 Ų9293.4 Ų93.456%0.56446%0.458SS*.THydrogen-bonded Turntrans-62-27.6-178.2-32.20000112.8H82 K88H82-T86 PolarHBondContact CE1-OG1 3.47Å; H82-T86 PolarHBondContact ND1-OG1 3.39Å; H82-T86 PolarHBondContact O-N 3.01Å; H82-T86 PolarHBondContact O-OG1 3.05Å; T86-K88 VanDerWaalsContact C-N 3.34Å; T86-K88 PolarHBondContact O-N 3.25Å
87E48.5Very low57.1Low176 Ų17695.2 Ų95.282%0.82247%0.469SS*.THydrogen-bonded Turntrans-76.5-14.9-176-66.5-174.2171.300114.3W85W85-E87 PolarHBondContact O-N 3.35Å
88K46.3Very low54.6Low176 Ų17698.7 Ų98.777%0.76550%0.496SS*.THydrogen-bonded Turntrans-109-13.2-169.5-73.9-172.3-179.7-1780116.6W85 T86W85-K88 PolarHBondContact O-N 3.36Å; T86-K88 VanDerWaalsContact C-N 3.34Å; T86-K88 PolarHBondContact O-N 3.25Å
89Q44.6Very low52.5Low60 Ų60102.3 Ų102.328%0.2852%0.515SS..  trans-147.3126.6171.8-78.4-159.7-44.300111.5W91Q89-W91 HydrophobicContact CB-CB 4.29Å; Q89-W91 HydrophobicContact CB-CG 4.38Å; Q89-W91 VanDerWaalsContact O-CD1 3.24Å
90P40.8Very low50.6Low132 Ų132108.5 Ų108.586%0.85755%0.548SS*.  trans-79.8121.1151.930.8-25.2000106.8
91W50.6Low49.1Very low48 Ų48109 Ų10918%0.18256%0.558CS.*  trans-142.994.9-169.962.6-72.4000115.2Q89 E137 K154 V155 R156Q89-W91 HydrophobicContact CB-CB 4.29Å; Q89-W91 HydrophobicContact CB-CG 4.38Å; Q89-W91 VanDerWaalsContact O-CD1 3.24Å; W91-E137 HydrophobicContact CH2-CG 4.46Å; W91-K154 HydrophobicContact CE3-CD 4.4Å; W91-K154 HydrophobicContact CE3-CG 4.31Å; W91-K154 HydrophobicContact CH2-CB 4.49Å; W91-K154 HydrophobicContact CH2-CD 4.17Å; W91-K154 HydrophobicContact CH2-CG 4.43Å; W91-K154 VanDerWaalsContact CZ3-C 3.5Å; W91-K154 HydrophobicContact CZ3-CB 3.92Å; W91-K154 HydrophobicContact CZ3-CD 3.73Å; W91-K154 HydrophobicContact CZ3-CG 3.64Å; W91-K154 WeakPolarHBondContact CZ3-O 3.37Å; W91-V155 VanDerWaalsContact CZ3-CA 3.43Å; W91-R156 HydrophobicContact CH2-CB 3.46Å; W91-R156 VanDerWaalsContact CH2-CB 3.46Å; W91-R156 HydrophobicContact CH2-CG 3.27Å; W91-R156 HydrophobicContact CZ2-CB 3.23Å; W91-R156 HydrophobicContact CZ2-CG 3.28Å
92T44.3Very low48.5Very low140 Ų140109.9 Ų109.986%0.85955%0.552SS**  -92.480.5128.752.40000106.9
93S44.4Very low48.3Very low36 Ų36111 Ų11125%0.25256%0.562SS.*  trans-122118-176.7-171.80000111.2Q95S93-Q95 PolarHBondContact O-N 3.35Å
94N47.5Very low48.7Very low113 Ų113110.5 Ų110.560%0.60457%0.566SS**  trans-68.133.3168.6-80.5-20.3000112.7
95Q42Very low49.9Very low107 Ų107110.3 Ų110.350%0.557%0.565SS.*  trans-90.9120.1-179.5-96179.4-26.700111.9S93 V97S93-Q95 PolarHBondContact O-N 3.35Å; Q95-V97 PolarHBondContact O-N 3.39Å; Q95-V97 VanDerWaalsContact O-N 3.08Å
96V47Very low51.5Low86 Ų86107.3 Ų107.352%0.52156%0.556SS.*  trans-61.4102.5161.8179.80000107.9
97V48.2Very low53.5Low38 Ų38107 Ų10723%0.2355%0.554CS.*  trans-99.2129.4174.1175.90000108.3Q95 Q99 R102Q95-V97 PolarHBondContact O-N 3.39Å; Q95-V97 VanDerWaalsContact O-N 3.08Å; V97-Q99 PolarHBondContact O-N 2.98Å; V97-R102 VanDerWaalsContact CG1-NH1 3.29Å
98P43Very low55.7Low112 Ų112102.6 Ų102.673%0.72753%0.532SS*.  trans-54.9128.5173.5-25.334.3000111.8D100P98-D100 PolarHBondContact O-N 2.97Å
99Q51.3Low58.1Low111 Ų11197.6 Ų97.652%0.51951%0.514SS..SBendtrans-74.6-23.8-163.7-176.7173-41.100114.4V97V97-Q99 PolarHBondContact O-N 2.98Å
100D49.6Very low60.6Low142 Ų14296.2 Ų96.276%0.75951%0.511SS*.THydrogen-bonded Turntrans-87.5-20-158.1-72.1-46.5000116.3P98 S103P98-D100 PolarHBondContact O-N 2.97Å; D100-S103 PolarHBondContact O-OG 3.21Å
101E46Very low63.3Low185 Ų18593.2 Ų93.286%0.86449%0.489SS*.THydrogen-bonded Turntrans-97.1-3.6-173.7-150.6158.3-16800113.8
102R53.6Low65.6Low132 Ų13293.5 Ų93.550%0.49850%0.496SS..SBendtrans-124.410.9-167.4-61.8177.7174.6-174.42.7113.9W85 V97W85-R102 HydrophobicContact CH2-CG 4.49Å; W85-R102 HydrophobicContact CZ2-CB 4.44Å; W85-R102 HydrophobicContact CZ2-CG 4.11Å; V97-R102 VanDerWaalsContact CG1-NH1 3.29Å
103S57.8Low68Low43 Ų4393.5 Ų93.530%0.30149%0.485SS..  trans-103.2-10-168.348.70000115D100 D105 A106D100-S103 PolarHBondContact O-OG 3.21Å; S103-D105 PolarHBondContact O-N 2.89Å; S103-A106 PolarHBondContact O-N 2.93Å
104K62.7Low70.4Confident199 Ų19994.1 Ų94.187%0.86549%0.487SS*.THydrogen-bonded Turntrans-63-26.8-175.9-70.1-176.8179.9178.20114
105D76.5Confident72.5Confident111 Ų11193.3 Ų93.359%0.59450%0.496SS*.THydrogen-bonded Turntrans-106.910.4-178.7-55.6-54.1000113.6R80 S103R80-D105 PolarHBondContact N-O 2.99Å; S103-D105 PolarHBondContact O-N 2.89Å
106A86.7Confident74.8Confident14 Ų1489.6 Ų89.612%0.11649%0.486CS..EExtended strand (participates in β ladder)trans-107.8128.2-177.700000111.3W77 Y78 I79 S103W77-A106 HydrophobicContact CE3-CB 3.65Å; W77-A106 HydrophobicContact CZ3-CB 4.09Å; W77-A106 WeakPolarHBondContact CZ3-O 3.37Å; Y78-A106 CarbonylContact O-C 3.6Å; Y78-A106 VanDerWaalsContact O-CA 3.32Å; Y78-A106 WeakPolarHBondContact O-CA 3.47Å; I79-A106 HydrophobicContact CG1-CB 4.25Å; S103-A106 PolarHBondContact O-N 2.93Å
107T92.4Very high76.9Confident85 Ų8587.4 Ų87.452%0.52147%0.474SS..EExtended strand (participates in β ladder)trans-108.1123176.5-570000109.9W77 Y78 I109W77-T107 CarbonylContact C-O 3.59Å; W77-T107 VanDerWaalsContact CA-O 3.26Å; W77-T107 WeakPolarHBondContact CA-O 3.41Å; W77-T107 VanDerWaalsContact CE3-C 3.43Å; Y78-T107 PolarHBondContact N-O 2.82Å; Y78-T107 PolarHBondContact O-N 3Å; T107-I109 PolarHBondContact O-N 2.85Å
108K94.8Very high79Confident84 Ų8489.8 Ų89.837%0.36549%0.486SS..EExtended strand (participates in β ladder)trans-72.3120.8174.5-170169.5178.8166.50109.1E73 Q75 W77E73-K108 IonicContact OE1-NZ 3.34Å; E73-K108 PolarHBondContact OE1-NZ 2.86Å; Q75-K108 VanDerWaalsContact CD-NZ 3.25Å; W77-K108 HydrophobicContact CD2-CB 3.93Å; W77-K108 HydrophobicContact CD2-CG 4.32Å; W77-K108 HydrophobicContact CE3-CB 3.94Å; W77-K108 VanDerWaalsContact CE3-N 3.28Å; W77-K108 HydrophobicContact CH2-CB 3.77Å; W77-K108 HydrophobicContact CH2-CD 4.37Å; W77-K108 HydrophobicContact CH2-CG 4.44Å; W77-K108 HydrophobicContact CZ2-CB 3.74Å; W77-K108 HydrophobicContact CZ2-CD 3.75Å; W77-K108 HydrophobicContact CZ2-CG 3.92Å; W77-K108 HydrophobicContact CZ3-CB 3.86Å
109I96.3Very high81.5Confident72 Ų7284.8 Ų84.837%0.36945%0.453SS..EExtended strand (participates in β ladder)trans-90.4-51-178.7-50.6174.7000109.9W76 T107 L123 Y136W76-I109 HydrophobicContact CB-CB 4.17Å; W76-I109 HydrophobicContact CB-CD1 4.46Å; W76-I109 PolarHBondContact O-N 2.77Å; T107-I109 PolarHBondContact O-N 2.85Å; I109-L123 HydrophobicContact CD1-CD1 4.23Å; I109-L123 HydrophobicContact CD1-CD2 3.98Å; I109-L123 HydrophobicContact CG2-CD1 3.83Å; I109-Y136 HydrophobicContact CD1-CD1 3.66Å; I109-Y136 HydrophobicContact CD1-CE1 3.74Å
110S97.8Very high83.7Confident31 Ų3183.4 Ų83.422%0.21746%0.456CS..EExtended strand (participates in β ladder)trans-153160.6-17567.20000112.2Q75 W76 H121Q75-S110 CarbonylContact C-O 3.49Å; Q75-S110 VanDerWaalsContact CA-O 3.26Å; Q75-S110 WeakPolarHBondContact CA-O 3.36Å; W76-S110 WeakPolarHBondContact CB-OG 3.48Å; W76-S110 PolarHBondContact N-O 2.95Å; W76-S110 PolarHBondContact O-N 2.77Å; S110-H121 PolarHBondContact OG-CE1 2.72Å; S110-H121 PolarHBondContact OG-NE2 2.71Å
111V97.5Very high86.1Confident68 Ų6878.4 Ų78.441%0.41243%0.428SS..EExtended strand (participates in β ladder)trans-146.1138.8179.956.40000111.1E73 I74 Q75E73-V111 HydrophobicContact CG-CG2 3.65Å; E73-V111 WeakPolarHBondContact OE1-CG2 3.48Å; I74-V111 CarbonylContact O-C 3.52Å; I74-V111 WeakPolarHBondContact O-CA 3.32Å; Q75-V111 HydrophobicContact CG-CB 4.35Å; Q75-V111 HydrophobicContact CG-CG2 4.03Å
112V97.9Very high88.6Confident54 Ų5474.1 Ų74.133%0.32741%0.406SS..EExtended strand (participates in β ladder)trans-134.5138.6172.11720000108.2E73 I74 V114 I119E73-V112 CarbonylContact C-O 3.58Å; E73-V112 WeakPolarHBondContact CA-O 3.5Å; I74-V112 HydrophobicContact CG2-CB 3.78Å; I74-V112 HydrophobicContact CG2-CG1 4.44Å; I74-V112 PolarHBondContact N-O 2.77Å; I74-V112 PolarHBondContact O-N 3.39Å; V112-V114 HydrophobicContact CG1-CG1 4.24Å; V112-I119 HydrophobicContact CG1-CD1 4.43Å
113K96Very high90.7Very high141 Ų14168.2 Ų68.261%0.61338%0.384SS*.EExtended strand (participates in β ladder)trans-121.8143.1172.7-48.2-161.9-164.3-150.60109.9L72 E73L72-K113 CarbonylContact O-C 3.56Å; L72-K113 VanDerWaalsContact O-CA 3.28Å; L72-K113 WeakPolarHBondContact O-CA 3.45Å; E73-K113 HydrophobicContact CB-CD 4.3Å; E73-K113 HydrophobicContact CB-CG 3.97Å; E73-K113 HydrophobicContact CG-CD 4.31Å; E73-K113 HydrophobicContact CG-CG 3.88Å; E73-K113 WeakPolarHBondContact OE2-CD 3.35Å; E73-K113 WeakPolarHBondContact OE2-CE 3.01Å; E73-K113 IonicContact OE2-NZ 2.66Å; E73-K113 PolarHBondContact OE2-NZ 2.84Å
114V94.9Very high92.6Very high49 Ų4974.8 Ų74.830%0.29740%0.402SS..EExtended strand (participates in β ladder)trans-136.6150.1175.7-56.40000110.4S71 L72 V112 I119S71-V114 WeakPolarHBondContact CA-O 3.02Å; L72-V114 HydrophobicContact CB-CG2 4.2Å; L72-V114 PolarHBondContact N-O 3.26Å; L72-V114 PolarHBondContact O-N 3.38Å; V112-V114 HydrophobicContact CG1-CG1 4.24Å; V114-I119 HydrophobicContact CG1-CD1 4.17Å; V114-I119 HydrophobicContact CG1-CG1 4.11Å; V114-I119 HydrophobicContact CG2-CB 3.95Å; V114-I119 HydrophobicContact CG2-CD1 3.83Å; V114-I119 HydrophobicContact CG2-CG1 3.86Å
115A91.3Very high94.3Very high96 Ų9666.8 Ų66.879%0.79337%0.369SS*.SBendtrans-87.6114.4162.100000107.8
116G89.4Confident95.3Very high28 Ų2865.8 Ų65.829%0.28937%0.371SS..SBendtrans143.1174.5-17700000113.1S69 L72S69-G116 CarbonylContact O-C 3.56Å; S69-G116 VanDerWaalsContact O-C 3.23Å; L72-G116 WeakPolarHBondContact CG-O 3.43Å
117S90.6Very high95.8Very high41 Ų4168.3 Ų68.329%0.28739%0.388SS..SBendtrans-97.82.5-172.858.10000115.2R64 G65 G67R64-S117 CarbonylContact C-O 3.48Å; R64-S117 WeakPolarHBondContact CA-O 3.34Å; G65-S117 PolarHBondContact N-O 2.81Å; G67-S117 VanDerWaalsContact O-CB 3.28Å; G67-S117 WeakPolarHBondContact O-CB 3.32Å
118N93.3Very high96.1Very high87 Ų8764.3 Ų64.347%0.46536%0.363SS..EExtended strand (participates in β ladder)trans-132.3139.9176.7-54.1-89.3000109.1F63 R64F63-N118 WeakPolarHBondContact O-CA 3.42Å; R64-N118 WeakPolarHBondContact CG-OD1 3.35Å; R64-N118 PolarHBondContact NE-OD1 2.83Å
119I95.9Very high96.2Very high8 Ų866.2 Ų66.24%0.04137%0.371CS..EExtended strand (participates in β ladder)trans-145.3140.8178-163.1171.5000109.8S62 F63 L72 I74 V112 V114 V140S62-I119 CarbonylContact C-O 3.51Å; S62-I119 WeakPolarHBondContact CA-O 3.2Å; F63-I119 HydrophobicContact CB-CG2 4.04Å; F63-I119 PolarHBondContact N-O 2.79Å; F63-I119 PolarHBondContact O-N 2.82Å; L72-I119 HydrophobicContact CB-CB 4.22Å; L72-I119 HydrophobicContact CB-CD1 4.12Å; L72-I119 HydrophobicContact CB-CG2 4.09Å; L72-I119 HydrophobicContact CD1-CB 4.11Å; L72-I119 HydrophobicContact CD1-CG2 3.87Å; I74-I119 HydrophobicContact CB-CD1 3.72Å; I74-I119 HydrophobicContact CB-CG1 4.13Å; I74-I119 HydrophobicContact CB-CG2 4.21Å; I74-I119 HydrophobicContact CD1-CG2 4.46Å; I74-I119 HydrophobicContact CG2-CD1 3.35Å; I74-I119 HydrophobicContact CG2-CG1 3.65Å; V112-I119 HydrophobicContact CG1-CD1 4.43Å; V114-I119 HydrophobicContact CG1-CD1 4.17Å; V114-I119 HydrophobicContact CG1-CG1 4.11Å; V114-I119 HydrophobicContact CG2-CB 3.95Å; V114-I119 HydrophobicContact CG2-CD1 3.83Å; V114-I119 HydrophobicContact CG2-CG1 3.86Å; I119-V140 HydrophobicContact CG2-CG1 4.31Å
120S97.9Very high96.1Very high82 Ų8266.1 Ų66.157%0.57338%0.375SS*.EExtended strand (participates in β ladder)trans-138.2136.9178600000110C61 S62C61-S120 CarbonylContact O-C 3.52Å; C61-S120 WeakPolarHBondContact O-CA 3.44Å; S62-S120 VanDerWaalsContact OG-CB 3.24Å; S62-S120 WeakPolarHBondContact OG-CB 3.33Å
121H98.5Very high95.9Very high37 Ų3768.6 Ų68.617%0.17139%0.393CS..EExtended strand (participates in β ladder)trans-147.1133.8176.8-169.1176.1000110.6C61 I74 W76 S110C61-H121 PolarHBondContact N-O 3.22Å; C61-H121 PolarHBondContact O-N 2.84Å; I74-H121 HydrophobicContact CB-CB 4.47Å; I74-H121 HydrophobicContact CD1-CB 3.78Å; I74-H121 HydrophobicContact CG1-CB 4.06Å; I74-H121 HydrophobicContact CG2-CB 3.55Å; W76-H121 AromaticContact CD1-CE1 3.97Å; W76-H121 AromaticContact CD1-CG 3.77Å; W76-H121 AromaticContact CD1-ND1 3.69Å; W76-H121 AromaticContact NE1-CG 3.85Å; W76-H121 PolarHBondContact NE1-O 2.8Å; S110-H121 PolarHBondContact OG-CE1 2.72Å; S110-H121 PolarHBondContact OG-NE2 2.71Å
122K98.4Very high95.7Very high94 Ų9467.7 Ų67.741%0.40939%0.385SS..EExtended strand (participates in β ladder)trans-114.5117.9-176.1178.4171.7-91-156.20110E58 M59E58-K122 HydrophobicContact CG-CD 3.68Å; E58-K122 HydrophobicContact CG-CG 3.4Å; E58-K122 VanDerWaalsContact CG-CG 3.4Å; E58-K122 WeakPolarHBondContact OE1-CD 3.26Å; E58-K122 WeakPolarHBondContact OE1-CE 3.48Å; E58-K122 IonicContact OE1-NZ 2.64Å; E58-K122 PolarHBondContact OE1-NZ 2.66Å; E58-K122 WeakPolarHBondContact OE2-CD 3.5Å; M59-K122 CarbonylContact O-C 3.59Å; M59-K122 WeakPolarHBondContact O-CA 3.48Å
123L98.5Very high95.5Very high8 Ų868.4 Ų68.44%0.04239%0.385CS..EExtended strand (participates in β ladder)trans-80.1131.6172.4175.962.7000109E58 M59 W76 I109 L125 Y136E58-L123 CarbonylContact C-O 3.51Å; E58-L123 WeakPolarHBondContact CA-O 3.39Å; M59-L123 HydrophobicContact CB-CB 4.4Å; M59-L123 HydrophobicContact CE-CD2 3.72Å; M59-L123 HydrophobicContact CE-CG 4.43Å; M59-L123 PolarHBondContact N-O 3.42Å; M59-L123 PolarHBondContact O-N 2.85Å; W76-L123 HydrophobicContact CD2-CB 3.69Å; W76-L123 HydrophobicContact CD2-CD2 4.06Å; W76-L123 HydrophobicContact CD2-CG 4.43Å; W76-L123 HydrophobicContact CE3-CB 4.21Å; W76-L123 HydrophobicContact CE3-CD2 3.84Å; W76-L123 HydrophobicContact CG-CB 3.93Å; W76-L123 HydrophobicContact CG-CD2 4.41Å; W76-L123 HydrophobicContact CZ2-CB 4.05Å; W76-L123 HydrophobicContact CZ3-CD2 4.31Å; I109-L123 HydrophobicContact CD1-CD1 4.23Å; I109-L123 HydrophobicContact CD1-CD2 3.98Å; I109-L123 HydrophobicContact CG2-CD1 3.83Å; L123-L125 HydrophobicContact CD1-CD2 4.13Å; L123-L125 HydrophobicContact CD2-CD2 4.42Å; L123-L125 HydrophobicContact CD2-CG 4.45Å; L123-L125 HydrophobicContact CG-CD2 4.29Å; L123-L125 HydrophobicContact CG-CG 4.26Å; L123-Y136 HydrophobicContact CD2-CD1 3.36Å; L123-Y136 HydrophobicContact CD2-CE1 3.89Å; L123-Y136 HydrophobicContact CD2-CG 4.1Å
124R98.3Very high95.4Very high181 Ų18161.8 Ų61.868%0.68336%0.357SS*.EExtended strand (participates in β ladder)trans-121.1122.2174.5-70-178.1167.5-179.2-5.5109.1V57 E58V57-R124 WeakPolarHBondContact O-CA 3.36Å; E58-R124 HydrophobicContact CG-CG 4.12Å; E58-R124 IonicContact OE2-CZ 3.22Å; E58-R124 VanDerWaalsContact OE2-CZ 3.22Å; E58-R124 IonicContact OE2-NE 2.66Å; E58-R124 PolarHBondContact OE2-NE 3.35Å; E58-R124 IonicContact OE2-NH2 2.85Å; E58-R124 PolarHBondContact OE2-NH2 2.73Å
125L97.8Very high95.4Very high31 Ų3159.6 Ų59.616%0.16234%0.344CS..EExtended strand (participates in β ladder)trans-112.1123.7174.1-56.7170.3000107.1D56 V57 M59 L123 V128 Y136 L159D56-L125 CarbonylContact C-O 3.5Å; D56-L125 WeakPolarHBondContact CA-O 3.2Å; V57-L125 HydrophobicContact CB-CB 4.41Å; V57-L125 PolarHBondContact N-O 3.23Å; V57-L125 PolarHBondContact O-N 2.7Å; M59-L125 HydrophobicContact CE-CD1 3.69Å; L123-L125 HydrophobicContact CD1-CD2 4.13Å; L123-L125 HydrophobicContact CD2-CD2 4.42Å; L123-L125 HydrophobicContact CD2-CG 4.45Å; L123-L125 HydrophobicContact CG-CD2 4.29Å; L123-L125 HydrophobicContact CG-CG 4.26Å; L125-V128 HydrophobicContact CB-CG1 3.8Å; L125-Y136 HydrophobicContact CD1-CD1 4.48Å; L125-Y136 HydrophobicContact CD1-CE1 3.7Å; L125-Y136 HydrophobicContact CD1-CE2 4.04Å; L125-Y136 VanDerWaalsContact CD1-CZ 3.43Å; L125-Y136 WeakPolarHBondContact CD1-OH 3.28Å; L125-Y136 HydrophobicContact CD2-CE1 4.13Å; L125-Y136 HydrophobicContact CG-CE1 4.49Å; L125-L159 HydrophobicContact CD1-CD2 3.69Å
126S97.9Very high95.6Very high90 Ų9055.4 Ų55.463%0.62931%0.308SS*.  trans-100.6139.1-179.757.80000111.1D56 V128D56-S126 WeakPolarHBondContact OD1-CA 3.4Å; S126-V128 PolarHBondContact O-N 3.22Å
127S97.4Very high95.9Very high68 Ų6854.1 Ų54.148%0.47629%0.294SS..SBendtrans47.857.7175.3-56.90000113.2G54 Q55 D56G54-S127 WeakPolarHBondContact O-CA 3.33Å; Q55-S127 WeakPolarHBondContact O-CA 3.33Å; Q55-S127 PolarHBondContact O-N 2.89Å; D56-S127 PolarHBondContact OD1-N 2.95Å
128V97.5Very high96.2Very high0 Ų052.2 Ų52.20%028%0.281CS..  trans-57.7146.4-172.9-60.70000112.1A51 S53 G54 Q55 V57 L125 S126 D132 L159 V161A51-V128 HydrophobicContact CB-CG2 3.99Å; S53-V128 CarbonylContact C-O 3.49Å; S53-V128 VanDerWaalsContact CA-O 3.29Å; S53-V128 WeakPolarHBondContact CA-O 3.47Å; G54-V128 PolarHBondContact N-O 3.13Å; Q55-V128 WeakPolarHBondContact O-CG2 3.38Å; Q55-V128 PolarHBondContact O-N 3.1Å; V57-V128 HydrophobicContact CB-CG1 4.16Å; V57-V128 HydrophobicContact CG2-CG1 3.84Å; V57-V128 HydrophobicContact CG2-CG2 4.35Å; L125-V128 HydrophobicContact CB-CG1 3.8Å; S126-V128 PolarHBondContact O-N 3.22Å; V128-D132 WeakPolarHBondContact CA-OD2 3.36Å; V128-L159 HydrophobicContact CG1-CD2 4.26Å; V128-V161 HydrophobicContact CB-CG2 4.23Å; V128-V161 HydrophobicContact CG2-CG1 3.94Å; V128-V161 HydrophobicContact CG2-CG2 4.07Å
129K96.4Very high96.4Very high124 Ų12450.2 Ų50.254%0.53927%0.267SS..  trans-118.5161.3-179.8-64.4174.5-174.2173.20110.5S131 D132K129-S131 PolarHBondContact O-N 3.08Å; K129-D132 PolarHBondContact N-OD2 2.94Å; K129-D132 WeakPolarHBondContact O-CB 3.36Å; K129-D132 PolarHBondContact O-N 3.34Å
130P94.4Very high96.3Very high70 Ų7049.9 Ų49.946%0.45527%0.265SS..G310 helixtrans-53.9-24.3171.2-28.436.6000114.2D132 E133P130-D132 VanDerWaalsContact C-N 3.3Å; P130-E133 WeakPolarHBondContact O-CB 3.26Å; P130-E133 PolarHBondContact O-N 3.32Å
131S93.2Very high96.1Very high83 Ų8346.8 Ų46.858%0.5824%0.242SC*.G310 helixtrans-73.4-18.4173.957.20000114.7K129 E133K129-S131 PolarHBondContact O-N 3.08Å; S131-E133 VanDerWaalsContact C-N 3.3Å
132D94.3Very high95.7Very high49 Ų4945.2 Ų45.226%0.26224%0.235SC..G310 helixtrans-87-7.6178.6-54.8-32.1000111.3V128 K129 P130 G134 Y136V128-D132 WeakPolarHBondContact CA-OD2 3.36Å; K129-D132 PolarHBondContact N-OD2 2.94Å; K129-D132 WeakPolarHBondContact O-CB 3.36Å; K129-D132 PolarHBondContact O-N 3.34Å; P130-D132 VanDerWaalsContact C-N 3.3Å; D132-G134 PolarHBondContact O-N 2.94Å; D132-Y136 PolarHBondContact O-OH 3.35Å
133E94.4Very high95.1Very high69 Ų6944.6 Ų44.632%0.32223%0.232SC..  trans-56135.3170.7173.9165147.500110.6Y78 P130 S131 Y158 L159 V161Y78-E133 PolarHBondContact OH-O 2.83Å; P130-E133 WeakPolarHBondContact O-CB 3.26Å; P130-E133 PolarHBondContact O-N 3.32Å; S131-E133 VanDerWaalsContact C-N 3.3Å; E133-Y158 HydrophobicContact CG-CE1 4Å; E133-Y158 VanDerWaalsContact CG-OH 3.26Å; E133-Y158 WeakPolarHBondContact CG-OH 3.07Å; E133-Y158 PolarHBondContact OE1-OH 3.34Å; E133-L159 WeakPolarHBondContact CA-O 3.25Å; E133-L159 WeakPolarHBondContact CG-O 3.36Å; E133-V161 HydrophobicContact CB-CG2 4.43Å; E133-V161 PolarHBondContact OE2-N 3.12Å
134G93.1Very high94Very high3 Ų345.6 Ų45.63%0.03124%0.24CC..EExtended strand (participates in β ladder)trans150-164.2179.500000112.3D132 L159D132-G134 PolarHBondContact O-N 2.94Å; G134-L159 PolarHBondContact N-O 3.32Å; G134-L159 VanDerWaalsContact N-O 3.08Å; G134-L159 PolarHBondContact O-N 3.48Å
135T94.6Very high92.5Very high2 Ų239.7 Ų39.71%0.01222%0.222CC..EExtended strand (participates in β ladder)trans-108.7128.4-172.6-56.90000112.2I79 H82 R156 A157 Y158I79-T135 PolarHBondContact N-O 3.47Å; H82-T135 WeakPolarHBondContact CB-OG1 3.29Å; H82-T135 WeakPolarHBondContact CD2-CB 3.47Å; H82-T135 PolarHBondContact CD2-OG1 2.65Å; H82-T135 PolarHBondContact ND1-OG1 2.97Å; T135-R156 HydrophobicContact CG2-CB 3.69Å; T135-R156 HydrophobicContact CG2-CG 3.51Å; T135-A157 WeakPolarHBondContact CA-O 3.14Å; T135-A157 WeakPolarHBondContact CG2-O 3.36Å; T135-Y158 VanDerWaalsContact OG1-CD2 3.32Å; T135-Y158 WeakPolarHBondContact OG1-CD2 3.33Å
136Y95.9Very high90.9Very high8 Ų844.8 Ų44.83%0.03125%0.254CS..EExtended strand (participates in β ladder)trans-103.8123.2178.7-67.4-91.9000109.3M59 W77 Y78 I109 L123 L125 D132 R156 A157 L159M59-Y136 HydrophobicContact CE-CD1 4.02Å; M59-Y136 HydrophobicContact CE-CD2 3.73Å; M59-Y136 HydrophobicContact CE-CE1 4.45Å; M59-Y136 HydrophobicContact CE-CE2 4.21Å; M59-Y136 HydrophobicContact CE-CG 3.61Å; M59-Y136 HydrophobicContact SD-CD2 4.26Å; M59-Y136 HydrophobicContact SD-CG 4.12Å; W77-Y136 CarbonylContact O-C 3.59Å; W77-Y136 WeakPolarHBondContact O-CA 3.47Å; Y78-Y136 HydrophobicContact CD2-CD1 4.25Å; Y78-Y136 HydrophobicContact CD2-CD2 4.49Å; Y78-Y136 AromaticContact CD2-CE1 3.77Å; Y78-Y136 HydrophobicContact CD2-CE1 3.77Å; Y78-Y136 AromaticContact CD2-CE2 3.99Å; Y78-Y136 HydrophobicContact CD2-CE2 3.99Å; Y78-Y136 AromaticContact CD2-CZ 3.64Å; Y78-Y136 HydrophobicContact CE2-CE2 4.21Å; Y78-Y136 HydrophobicContact CG-CE1 4.43Å; I109-Y136 HydrophobicContact CD1-CD1 3.66Å; I109-Y136 HydrophobicContact CD1-CE1 3.74Å; L123-Y136 HydrophobicContact CD2-CD1 3.36Å; L123-Y136 HydrophobicContact CD2-CE1 3.89Å; L123-Y136 HydrophobicContact CD2-CG 4.1Å; L125-Y136 HydrophobicContact CD1-CD1 4.48Å; L125-Y136 HydrophobicContact CD1-CE1 3.7Å; L125-Y136 HydrophobicContact CD1-CE2 4.04Å; L125-Y136 VanDerWaalsContact CD1-CZ 3.43Å; L125-Y136 WeakPolarHBondContact CD1-OH 3.28Å; L125-Y136 HydrophobicContact CD2-CE1 4.13Å; L125-Y136 HydrophobicContact CG-CE1 4.49Å; D132-Y136 PolarHBondContact O-OH 3.35Å; Y136-R156 CarbonylContact O-C 3.54Å; Y136-R156 WeakPolarHBondContact O-CA 3.47Å; Y136-R156 WeakPolarHBondContact O-CG 3.37Å; Y136-A157 PolarHBondContact N-O 3.48Å; Y136-A157 PolarHBondContact O-N 2.88Å; Y136-L159 HydrophobicContact CD2-CB 3.93Å; Y136-L159 HydrophobicContact CE2-CB 3.64Å; Y136-L159 HydrophobicContact CE2-CD2 3.82Å; Y136-L159 HydrophobicContact CE2-CG 4.36Å
137E95.6Very high89.2Confident2 Ų246 Ų461%0.00925%0.254CS..EExtended strand (participates in β ladder)trans-111.7123.5-177.6-176.5171.563.100110.6W76 W77 I79 W91 R139 K154 V155 R156W76-E137 WeakPolarHBondContact CA-O 3.47Å; W77-E137 HydrophobicContact CB-CB 4.29Å; W77-E137 PolarHBondContact N-O 2.73Å; W77-E137 PolarHBondContact O-N 3.1Å; I79-E137 HydrophobicContact CD1-CB 4.15Å; W91-E137 HydrophobicContact CH2-CG 4.46Å; E137-R139 HydrophobicContact CG-CG 3.89Å; E137-R139 IonicContact OE1-CZ 2.74Å; E137-R139 IonicContact OE1-NE 2.71Å; E137-R139 PolarHBondContact OE1-NE 3.46Å; E137-R139 IonicContact OE1-NH2 3.11Å; E137-R139 PolarHBondContact OE1-NH2 2.98Å; E137-K154 HydrophobicContact CG-CB 4.3Å; E137-K154 VanDerWaalsContact OE2-CD 3.31Å; E137-K154 WeakPolarHBondContact OE2-CD 3.26Å; E137-V155 WeakPolarHBondContact CA-O 3.43Å; E137-R156 HydrophobicContact CB-CG 3.43Å; E137-R156 VanDerWaalsContact CB-CG 3.43Å; E137-R156 VanDerWaalsContact CD-NE 3.35Å; E137-R156 HydrophobicContact CG-CG 3.75Å; E137-R156 IonicContact OE1-NH2 3.99Å; E137-R156 IonicContact OE2-CZ 3.15Å; E137-R156 IonicContact OE2-NE 2.7Å; E137-R156 PolarHBondContact OE2-NE 3.2Å; E137-R156 IonicContact OE2-NH2 2.73Å; E137-R156 PolarHBondContact OE2-NH2 3.45Å
138C97.4Very high87.6Confident0 Ų048.4 Ų48.40%027%0.271CS..EExtended strand (participates in β ladder)trans-88122.5164.6177.60000108.4C61 Q75 W76 K154 V155C61-C138 HydrophobicContact CB-CB 3.62Å; C61-C138 WeakPolarHBondContact CB-SG 3.31Å; C61-C138 WeakPolarHBondContact SG-CB 3.19Å; C61-C138 CovalentContact SG-SG 2.03Å; C61-C138 PolarHBondContact SG-SG 3.45Å; Q75-C138 WeakPolarHBondContact O-CA 3.44Å; W76-C138 HydrophobicContact CE3-CB 4.32Å; W76-C138 HydrophobicContact CH2-CB 4.06Å; W76-C138 HydrophobicContact CZ2-CB 4.25Å; W76-C138 HydrophobicContact CZ3-CB 4.09Å; C138-K154 CarbonylContact O-C 3.49Å; C138-K154 WeakPolarHBondContact O-CA 3.38Å; C138-V155 HydrophobicContact CB-CG2 3.85Å; C138-V155 PolarHBondContact N-O 3.37Å; C138-V155 PolarHBondContact O-N 2.81Å
139R96.1Very high86.5Confident45 Ų4554.1 Ų54.117%0.1730%0.301CS..EExtended strand (participates in β ladder)trans-112.7134.4173.1-57.6-175.4-177.5172.9-0.5109.2I74 Q75 E137 H153 K154I74-R139 CarbonylContact C-O 3.54Å; I74-R139 WeakPolarHBondContact CA-O 3.45Å; Q75-R139 HydrophobicContact CB-CB 4.4Å; Q75-R139 PolarHBondContact N-O 2.8Å; Q75-R139 PolarHBondContact O-N 2.96Å; E137-R139 HydrophobicContact CG-CG 3.89Å; E137-R139 IonicContact OE1-CZ 2.74Å; E137-R139 IonicContact OE1-NE 2.71Å; E137-R139 PolarHBondContact OE1-NE 3.46Å; E137-R139 IonicContact OE1-NH2 3.11Å; E137-R139 PolarHBondContact OE1-NH2 2.98Å; R139-H153 CarbonylContact C-O 3.23Å; R139-H153 WeakPolarHBondContact CA-O 3.35Å; R139-K154 HydrophobicContact CG-CB 4.5Å
140V95.3Very high85.9Confident1 Ų149.5 Ų49.51%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-119.4129.4171.1-179.10000109.2F42 F63 E73 I74 I119 H152 H153F42-V140 HydrophobicContact CE1-CG2 3.88Å; F42-V140 HydrophobicContact CZ-CG2 4.39Å; F63-V140 HydrophobicContact CB-CG1 4.34Å; F63-V140 HydrophobicContact CB-CG2 3.83Å; F63-V140 HydrophobicContact CD1-CB 4.31Å; F63-V140 HydrophobicContact CD1-CG1 3.54Å; F63-V140 HydrophobicContact CD2-CB 4.35Å; F63-V140 HydrophobicContact CD2-CG1 4.43Å; F63-V140 HydrophobicContact CD2-CG2 4.33Å; F63-V140 HydrophobicContact CE1-CG1 3.78Å; F63-V140 HydrophobicContact CG-CB 4.15Å; F63-V140 HydrophobicContact CG-CG1 3.87Å; F63-V140 HydrophobicContact CG-CG2 4Å; F63-V140 HydrophobicContact CZ-CG1 4.32Å; E73-V140 CarbonylContact O-C 3.59Å; E73-V140 VanDerWaalsContact O-CA 3.29Å; E73-V140 WeakPolarHBondContact O-CA 3.45Å; I74-V140 HydrophobicContact CB-CG2 4.16Å; I74-V140 HydrophobicContact CD1-CG2 4.03Å; I74-V140 HydrophobicContact CG1-CG2 3.85Å; I119-V140 HydrophobicContact CG2-CG1 4.31Å; V140-H152 WeakPolarHBondContact O-CA 3.29Å; V140-H153 HydrophobicContact CB-CB 4.38Å; V140-H153 PolarHBondContact N-O 3.01Å; V140-H153 PolarHBondContact O-N 2.94Å
141I92.3Very high85.6Confident18 Ų1852.1 Ų52.19%0.09229%0.287CS..EExtended strand (participates in β ladder)trans-106.7119.8173.5-50.4-179.3000107.2L72 E73 F143 A150 R151L72-I141 WeakPolarHBondContact CA-O 3.21Å; E73-I141 HydrophobicContact CB-CB 4.35Å; E73-I141 PolarHBondContact N-O 3.25Å; E73-I141 PolarHBondContact O-N 2.85Å; I141-F143 HydrophobicContact CB-CE2 4.1Å; I141-F143 HydrophobicContact CB-CZ 4.01Å; I141-F143 HydrophobicContact CG2-CD1 4.14Å; I141-F143 HydrophobicContact CG2-CD2 4.34Å; I141-F143 HydrophobicContact CG2-CE1 3.62Å; I141-F143 HydrophobicContact CG2-CE2 3.85Å; I141-F143 HydrophobicContact CG2-CG 4.48Å; I141-F143 HydrophobicContact CG2-CZ 3.46Å; I141-F143 VanDerWaalsContact CG2-CZ 3.46Å; I141-A150 HydrophobicContact CG2-CB 3.5Å; I141-R151 CarbonylContact C-O 3.6Å; I141-R151 WeakPolarHBondContact CA-O 3.33Å
142D90.7Very high85.4Confident3 Ų351 Ų512%0.01627%0.273CS..EExtended strand (participates in β ladder)trans-100.9115173.9-167.5-9000109.6S69 L72 S144 A150 R151S69-D142 WeakPolarHBondContact CB-OD1 3.34Å; S69-D142 PolarHBondContact OG-OD1 2.94Å; S69-D142 PolarHBondContact OG-OD2 2.65Å; L72-D142 HydrophobicContact CD2-CB 3.66Å; L72-D142 WeakPolarHBondContact CD2-OD1 3.28Å; D142-S144 VanDerWaalsContact C-N 3.28Å; D142-S144 WeakPolarHBondContact OD1-CB 2.9Å; D142-S144 PolarHBondContact OD1-N 2.66Å; D142-S144 PolarHBondContact OD1-OG 3.34Å; D142-S144 PolarHBondContact OD2-OG 2.85Å; D142-A150 CarbonylContact O-C 3.58Å; D142-A150 WeakPolarHBondContact O-CA 3.37Å; D142-R151 HydrophobicContact CB-CB 4.24Å; D142-R151 PolarHBondContact N-O 3.47Å; D142-R151 PolarHBondContact O-N 3.11Å
143F86.6Confident85.2Confident81 Ų8150 Ų5036%0.35527%0.266SS..  trans-94.622.2177.8-54.8-82.6000111.6S71 E73 I141 D145 A150S71-F143 PolarHBondContact O-N 2.82Å; S71-F143 VanDerWaalsContact O-N 3.11Å; S71-F143 WeakPolarHBondContact OG-CB 3.43Å; E73-F143 HydrophobicContact CB-CE2 3.75Å; E73-F143 HydrophobicContact CB-CZ 4.41Å; I141-F143 HydrophobicContact CB-CE2 4.1Å; I141-F143 HydrophobicContact CB-CZ 4.01Å; I141-F143 HydrophobicContact CG2-CD1 4.14Å; I141-F143 HydrophobicContact CG2-CD2 4.34Å; I141-F143 HydrophobicContact CG2-CE1 3.62Å; I141-F143 HydrophobicContact CG2-CE2 3.85Å; I141-F143 HydrophobicContact CG2-CG 4.48Å; I141-F143 HydrophobicContact CG2-CZ 3.46Å; I141-F143 VanDerWaalsContact CG2-CZ 3.46Å; F143-D145 VanDerWaalsContact C-N 3.33Å; F143-A150 HydrophobicContact CD1-CB 3.7Å; F143-A150 HydrophobicContact CE1-CB 3.94Å
144S75.8Confident85.2Confident29 Ų2948.1 Ų48.120%0.20326%0.257CS..  trans-70.7-23.9179.766.50000114.8D142D142-S144 VanDerWaalsContact C-N 3.28Å; D142-S144 WeakPolarHBondContact OD1-CB 2.9Å; D142-S144 PolarHBondContact OD1-N 2.66Å; D142-S144 PolarHBondContact OD1-OG 3.34Å; D142-S144 PolarHBondContact OD2-OG 2.85Å
145D66.1Low85.3Confident57 Ų5748.5 Ų48.531%0.30526%0.259SS..  trans-75.4132-170.7-150.7-23.4000110.8F143 D147 R151F143-D145 VanDerWaalsContact C-N 3.33Å; D145-D147 PolarHBondContact OD1-N 3.41Å; D145-D147 VanDerWaalsContact OD1-N 3.11Å; D145-R151 IonicContact OD2-NE 3.62Å
146T64.5Low85.2Confident138 Ų13850.1 Ų50.185%0.84726%0.264SS*.SBendtrans-74.7-18.9172.643.70000111.9
147D62.5Low85.2Confident116 Ų11649.8 Ų49.862%0.6226%0.263SS*.SBendtrans-76.9137.3163.4-86.9-25.6000109.1D145 N149D145-D147 PolarHBondContact OD1-N 3.41Å; D145-D147 VanDerWaalsContact OD1-N 3.11Å; D147-N149 PolarHBondContact O-N 3.14Å
148S63.5Low85.1Confident119 Ų11952.8 Ų52.883%0.83228%0.275SS*.SBendtrans-59.112-167.753.30000117.5
149N74.4Confident85Confident119 Ų11952.8 Ų52.864%0.63628%0.275SS*.  trans-117.7112.6-177.4-64.2-42.5000111.3D147 R151D147-N149 PolarHBondContact O-N 3.14Å; N149-R151 PolarHBondContact O-N 3.24Å
150A84.3Confident85Confident27 Ų2754.7 Ų54.722%0.22329%0.286CS..  trans-62137171.700000111.1I141 D142 F143 H152I141-A150 HydrophobicContact CG2-CB 3.5Å; D142-A150 CarbonylContact O-C 3.58Å; D142-A150 WeakPolarHBondContact O-CA 3.37Å; F143-A150 HydrophobicContact CD1-CB 3.7Å; F143-A150 HydrophobicContact CE1-CB 3.94Å; A150-H152 PolarHBondContact O-CE1 2.93Å; A150-H152 VanDerWaalsContact O-CE1 3.3Å; A150-H152 PolarHBondContact O-ND1 2.91Å
151R86.3Confident85Confident125 Ų12554.9 Ų54.947%0.47229%0.287SS..EExtended strand (participates in β ladder)trans-80.9136.9177-61.4-60.3-155.1152.19.8109.6I141 D142 D145 N149I141-R151 CarbonylContact C-O 3.6Å; I141-R151 WeakPolarHBondContact CA-O 3.33Å; D142-R151 HydrophobicContact CB-CB 4.24Å; D142-R151 PolarHBondContact N-O 3.47Å; D142-R151 PolarHBondContact O-N 3.11Å; D145-R151 IonicContact OD2-NE 3.62Å; N149-R151 PolarHBondContact O-N 3.24Å
152H89.8Confident85.2Confident61 Ų6158.3 Ų58.328%0.28230%0.303SS..EExtended strand (participates in β ladder)trans-116.7126.5-177.3-66.875.2000110V140 A150V140-H152 WeakPolarHBondContact O-CA 3.29Å; A150-H152 PolarHBondContact O-CE1 2.93Å; A150-H152 VanDerWaalsContact O-CE1 3.3Å; A150-H152 PolarHBondContact O-ND1 2.91Å
153H91.1Very high85.3Confident26 Ų2662.7 Ų62.712%0.1233%0.331CS..EExtended strand (participates in β ladder)trans-121145.9177.5-57.1-90.2000108.8F42 F63 R139 V140F42-H153 HydrophobicContact CE2-CB 3.68Å; F42-H153 HydrophobicContact CZ-CB 3.62Å; F63-H153 HydrophobicContact CD2-CB 4.44Å; F63-H153 HydrophobicContact CE2-CB 3.7Å; F63-H153 AromaticContact CE2-CD2 3.83Å; F63-H153 AromaticContact CE2-CG 3.53Å; F63-H153 AromaticContact CE2-ND1 3.92Å; F63-H153 HydrophobicContact CZ-CB 4.16Å; F63-H153 AromaticContact CZ-CD2 3.38Å; F63-H153 WeakPolarHBondContact CZ-CD2 3.41Å; F63-H153 AromaticContact CZ-CG 3.6Å; F63-H153 AromaticContact CZ-NE2 3.74Å; R139-H153 CarbonylContact C-O 3.23Å; R139-H153 WeakPolarHBondContact CA-O 3.35Å; V140-H153 HydrophobicContact CB-CB 4.38Å; V140-H153 PolarHBondContact N-O 3.01Å; V140-H153 PolarHBondContact O-N 2.94Å
154K93.7Very high85.2Confident30 Ų3065.4 Ų65.413%0.1335%0.345CS..EExtended strand (participates in β ladder)trans-147.7151.9178.950.7166.1-176.8174.50112.6W91 E137 C138 R139W91-K154 HydrophobicContact CE3-CD 4.4Å; W91-K154 HydrophobicContact CE3-CG 4.31Å; W91-K154 HydrophobicContact CH2-CB 4.49Å; W91-K154 HydrophobicContact CH2-CD 4.17Å; W91-K154 HydrophobicContact CH2-CG 4.43Å; W91-K154 VanDerWaalsContact CZ3-C 3.5Å; W91-K154 HydrophobicContact CZ3-CB 3.92Å; W91-K154 HydrophobicContact CZ3-CD 3.73Å; W91-K154 HydrophobicContact CZ3-CG 3.64Å; W91-K154 WeakPolarHBondContact CZ3-O 3.37Å; E137-K154 HydrophobicContact CG-CB 4.3Å; E137-K154 VanDerWaalsContact OE2-CD 3.31Å; E137-K154 WeakPolarHBondContact OE2-CD 3.26Å; C138-K154 CarbonylContact O-C 3.49Å; C138-K154 WeakPolarHBondContact O-CA 3.38Å; R139-K154 HydrophobicContact CG-CB 4.5Å
155V94.3Very high85.2Confident11 Ų1167.3 Ų67.37%0.06736%0.359CS..EExtended strand (participates in β ladder)trans-143.3155.1168.1-70.80000109.5F42 V45 P46 W91 E137 C138F42-V155 HydrophobicContact CD1-CG1 4.28Å; F42-V155 HydrophobicContact CD1-CG2 3.93Å; F42-V155 HydrophobicContact CD2-CG1 3.57Å; F42-V155 HydrophobicContact CE1-CG1 4.37Å; F42-V155 HydrophobicContact CE1-CG2 3.82Å; F42-V155 HydrophobicContact CE2-CG1 3.67Å; F42-V155 HydrophobicContact CG-CG1 3.89Å; F42-V155 HydrophobicContact CG-CG2 4.36Å; F42-V155 HydrophobicContact CZ-CG1 4.09Å; F42-V155 HydrophobicContact CZ-CG2 4.15Å; V45-V155 HydrophobicContact CB-CG2 4.49Å; V45-V155 HydrophobicContact CG1-CB 4.38Å; V45-V155 HydrophobicContact CG1-CG1 3.88Å; V45-V155 HydrophobicContact CG1-CG2 4.35Å; P46-V155 HydrophobicContact CG-CG2 4.2Å; W91-V155 VanDerWaalsContact CZ3-CA 3.43Å; E137-V155 WeakPolarHBondContact CA-O 3.43Å; C138-V155 HydrophobicContact CB-CG2 3.85Å; C138-V155 PolarHBondContact N-O 3.37Å; C138-V155 PolarHBondContact O-N 2.81Å
156R93.8Very high85Confident36 Ų3671.2 Ų71.214%0.13638%0.379CS..EExtended strand (participates in β ladder)trans-132.3160179.1-88.9176-122.8165.9-15112.3W91 T135 Y136 E137W91-R156 HydrophobicContact CH2-CB 3.46Å; W91-R156 VanDerWaalsContact CH2-CB 3.46Å; W91-R156 HydrophobicContact CH2-CG 3.27Å; W91-R156 HydrophobicContact CZ2-CB 3.23Å; W91-R156 HydrophobicContact CZ2-CG 3.28Å; T135-R156 HydrophobicContact CG2-CB 3.69Å; T135-R156 HydrophobicContact CG2-CG 3.51Å; Y136-R156 CarbonylContact O-C 3.54Å; Y136-R156 WeakPolarHBondContact O-CA 3.47Å; Y136-R156 WeakPolarHBondContact O-CG 3.37Å; E137-R156 HydrophobicContact CB-CG 3.43Å; E137-R156 VanDerWaalsContact CB-CG 3.43Å; E137-R156 VanDerWaalsContact CD-NE 3.35Å; E137-R156 HydrophobicContact CG-CG 3.75Å; E137-R156 IonicContact OE1-NH2 3.99Å; E137-R156 IonicContact OE2-CZ 3.15Å; E137-R156 IonicContact OE2-NE 2.7Å; E137-R156 PolarHBondContact OE2-NE 3.2Å; E137-R156 IonicContact OE2-NH2 2.73Å; E137-R156 PolarHBondContact OE2-NH2 3.45Å
157A94.4Very high84.7Confident1 Ų172 Ų721%0.00837%0.373CS..EExtended strand (participates in β ladder)trans-137.3148.2164.200000110.4P46 H47 D48 M59 T135 Y136P46-A157 HydrophobicContact CB-CB 3.72Å; P46-A157 HydrophobicContact CG-CB 4.09Å; H47-A157 VanDerWaalsContact C-CB 3.44Å; H47-A157 WeakPolarHBondContact O-CB 3.14Å; D48-A157 WeakPolarHBondContact OD1-CA 3.41Å; M59-A157 HydrophobicContact SD-CB 4.15Å; T135-A157 WeakPolarHBondContact CA-O 3.14Å; T135-A157 WeakPolarHBondContact CG2-O 3.36Å; Y136-A157 PolarHBondContact N-O 3.48Å; Y136-A157 PolarHBondContact O-N 2.88Å
158Y94.7Very high84.5Confident65 Ų6572.7 Ų72.726%0.25538%0.377SS..EExtended strand (participates in β ladder)trans-93.7130170.2-165.5-91.9000110.4D48 I49 H82 E133 T135 Q160D48-Y158 CarbonylContact C-O 3.59Å; D48-Y158 VanDerWaalsContact CA-O 3.26Å; D48-Y158 WeakPolarHBondContact CA-O 3.19Å; D48-Y158 PolarHBondContact OD1-N 2.78Å; I49-Y158 PolarHBondContact N-O 2.96Å; H82-Y158 HydrophobicContact CB-CD2 4.48Å; H82-Y158 HydrophobicContact CB-CE2 4.24Å; E133-Y158 HydrophobicContact CG-CE1 4Å; E133-Y158 VanDerWaalsContact CG-OH 3.26Å; E133-Y158 WeakPolarHBondContact CG-OH 3.07Å; E133-Y158 PolarHBondContact OE1-OH 3.34Å; T135-Y158 VanDerWaalsContact OG1-CD2 3.32Å; T135-Y158 WeakPolarHBondContact OG1-CD2 3.33Å; Y158-Q160 HydrophobicContact CD1-CB 4.16Å; Y158-Q160 HydrophobicContact CE1-CB 3.96Å
159L95.7Very high84.1Confident0 Ų072.9 Ų72.90%038%0.375CS..EExtended strand (participates in β ladder)trans-101117.6167.2172.859.4000108.2I49 A51 V57 L125 V128 E133 G134 Y136 V161I49-L159 HydrophobicContact CB-CD1 4.35Å; I49-L159 HydrophobicContact CG2-CD1 4.24Å; I49-L159 WeakPolarHBondContact O-CA 3.1Å; A51-L159 HydrophobicContact CB-CD1 4.13Å; V57-L159 HydrophobicContact CG1-CD1 4.21Å; V57-L159 HydrophobicContact CG2-CD1 3.97Å; L125-L159 HydrophobicContact CD1-CD2 3.69Å; V128-L159 HydrophobicContact CG1-CD2 4.26Å; E133-L159 WeakPolarHBondContact CA-O 3.25Å; E133-L159 WeakPolarHBondContact CG-O 3.36Å; G134-L159 PolarHBondContact N-O 3.32Å; G134-L159 VanDerWaalsContact N-O 3.08Å; G134-L159 PolarHBondContact O-N 3.48Å; Y136-L159 HydrophobicContact CD2-CB 3.93Å; Y136-L159 HydrophobicContact CE2-CB 3.64Å; Y136-L159 HydrophobicContact CE2-CD2 3.82Å; Y136-L159 HydrophobicContact CE2-CG 4.36Å; L159-V161 HydrophobicContact CD1-CG2 4.21Å; L159-V161 HydrophobicContact CD2-CG2 4.06Å; L159-V161 HydrophobicContact CG-CG2 3.83Å
160Q95.4Very high83.3Confident85 Ų8571.5 Ų71.540%0.39738%0.38SS..EExtended strand (participates in β ladder)trans-97.4132.2168.5-175.2176.5-18.700109.1I49 T50 A51 Y158I49-Q160 PolarHBondContact O-N 2.92Å; T50-Q160 WeakPolarHBondContact CA-O 3.45Å; T50-Q160 HydrophobicContact CG2-CB 4.27Å; T50-Q160 HydrophobicContact CG2-CG 4.3Å; A51-Q160 PolarHBondContact N-O 3.41Å; Y158-Q160 HydrophobicContact CD1-CB 4.16Å; Y158-Q160 HydrophobicContact CE1-CB 3.96Å
161V96Very high82Confident5 Ų577.5 Ų77.53%0.0341%0.408CS..EExtended strand (participates in β ladder)trans-117.3109179.6-1740000110.4A51 V128 E133 L159A51-V161 CarbonylContact O-C 3.51Å; A51-V161 VanDerWaalsContact O-CA 3.28Å; A51-V161 WeakPolarHBondContact O-CA 3.4Å; V128-V161 HydrophobicContact CB-CG2 4.23Å; V128-V161 HydrophobicContact CG2-CG1 3.94Å; V128-V161 HydrophobicContact CG2-CG2 4.07Å; E133-V161 HydrophobicContact CB-CG2 4.43Å; E133-V161 PolarHBondContact OE2-N 3.12Å; L159-V161 HydrophobicContact CD1-CG2 4.21Å; L159-V161 HydrophobicContact CD2-CG2 4.06Å; L159-V161 HydrophobicContact CG-CG2 3.83Å
162E95.3Very high80.5Confident90 Ų9083 Ų8342%0.42143%0.429SS..EExtended strand (participates in β ladder)trans-75.3130.1174.8-65-174.7165.300109.7T50 A51 Q52 S53T50-E162 HydrophobicContact CG2-CG 3.83Å; A51-E162 PolarHBondContact O-N 3.18Å; Q52-E162 CarbonylContact C-O 3.54Å; S53-E162 PolarHBondContact N-O 3.06Å
163P92.6Very high78.7Confident95 Ų9588.7 Ų88.762%0.61746%0.455SS*.  trans-60.6148.617526.7-33.2000109.9S165P163-S165 PolarHBondContact O-N 3.05Å
164E85.7Confident76.9Confident138 Ų13897 Ų9765%0.64549%0.494SS*.  trans-56.7113.6174.8-172.7179.9-174.400109N166E164-N166 PolarHBondContact O-N 3.02Å
165S74.3Confident74.8Confident70 Ų7099.3 Ų99.349%0.4953%0.526SS..  trans-71.4107178.873.70000108.4P163 H167P163-S165 PolarHBondContact O-N 3.05Å; S165-H167 WeakPolarHBondContact CB-ND1 3.37Å; S165-H167 PolarHBondContact O-N 3.24Å; S165-H167 PolarHBondContact OG-CE1 3.18Å; S165-H167 VanDerWaalsContact OG-CE1 3.23Å; S165-H167 PolarHBondContact OG-ND1 3.38Å
166N63.5Low73Confident138 Ų138103.4 Ų103.474%0.73856%0.561SS**  trans-67.973.5167.2-81.7-30.6000109.2E164 N168E164-N166 PolarHBondContact O-N 3.02Å; N166-N168 PolarHBondContact O-N 2.9Å
167H57.9Low70.7Confident154 Ų154108.7 Ų108.771%0.71359%0.592SS**  trans-70.178.9165.2-79.689.6000108.2S165 P169S165-H167 WeakPolarHBondContact CB-ND1 3.37Å; S165-H167 PolarHBondContact O-N 3.24Å; S165-H167 PolarHBondContact OG-CE1 3.18Å; S165-H167 VanDerWaalsContact OG-CE1 3.23Å; S165-H167 PolarHBondContact OG-ND1 3.38Å; H167-P169 WeakPolarHBondContact O-CD 3.42Å
168N57.1Low68.2Low131 Ų131117.7 Ų117.770%0.70163%0.631SS**  trans-67.6110.3159-90.7-20.5000107.6N166 A170N166-N168 PolarHBondContact O-N 2.9Å; N168-A170 PolarHBondContact O-N 3.49Å; N168-A170 VanDerWaalsContact O-N 3.13Å
169P56.6Low65.7Low123 Ų123121.5 Ų121.580%0.79965%0.651SS**G310 helixtrans-74.1-1.6-179.4-10.528.5000112.8H167 L171H167-P169 WeakPolarHBondContact O-CD 3.42Å; P169-L171 PolarHBondContact O-N 3.11Å
170A57.6Low63.3Low90 Ų90127 Ų12774%0.74469%0.685SS**G310 helixtrans-86.6-0.3-163.300000116.4N168N168-A170 PolarHBondContact O-N 3.49Å; N168-A170 VanDerWaalsContact O-N 3.13Å
171L57.2Low60.7Low154 Ų154131.8 Ų131.881%0.80670%0.704SS**G310 helixtrans-118.97.6-173.3-96.6136.7000116.1P169P169-L171 PolarHBondContact O-N 3.11Å
172R52.8Low58.1Low239 Ų239138.7 Ų138.790%0.90274%0.741SS**SBendtrans-95.611.7178.5-74.8-157.6166.5-162.6-1.8116.4
173H53.8Low55.4Low182 Ų182140.5 Ų140.584%0.84376%0.759SS**SBendtrans-119.716.2-178.2-94.8-52.2000117.5
174H51.5Low52.7Low201 Ų201145 Ų14593%0.93177%0.769SS**SBendtrans-121.559.1175.5-90.128.9000112.9
175G51Low50.2Low78 Ų78143.6 Ų143.680%0.80477%0.769SS**  trans-153.646.3-179.800000114.4
176A55Low48.4Very low97 Ų97147.8 Ų147.880%0.80279%0.785SS**  trans-16083.216400000111.3
177N47.2Very low46.8Very low146 Ų146146 Ų14678%0.78179%0.789SS**  trans-153.581.9146.4-124.1-9.7000109.9Q179N177-Q179 PolarHBondContact O-N 3.3Å
178F42.1Very low45.5Very low191 Ų191142.5 Ų142.584%0.83880%0.795SS**  trans-81.891.7165-160-93.5000106.7T180F178-T180 HydrophobicContact CD1-CG2 4Å; F178-T180 HydrophobicContact CE1-CG2 3.8Å
179Q42.4Very low44.3Very low145 Ų145142.4 Ų142.468%0.67881%0.805SS**  trans-88.5105.6166.1-85.1-170.312.700108.8N177 K181N177-Q179 PolarHBondContact O-N 3.3Å; Q179-K181 PolarHBondContact O-N 3.3Å
180T43.9Very low43Very low114 Ų114139.6 Ų139.670%0.69980%0.798SS**  trans-60.5121.2160.338.60000109.3F178F178-T180 HydrophobicContact CD1-CG2 4Å; F178-T180 HydrophobicContact CE1-CG2 3.8Å
181K40.8Very low41.8Very low186 Ų186144.8 Ų144.881%0.80981%0.807SS**  trans-124.1105.9161.1-78.4-172.4179.2177.40107.8Q179Q179-K181 PolarHBondContact O-N 3.3Å
182D41.6Very low40.6Very low150 Ų150145.7 Ų145.780%0.80281%0.807SS**  trans-105141.9167.1-103-41.1000111
183T38.4Very low40.3Very low129 Ų129139.2 Ų139.279%0.79180%0.796SS**  trans87.6129.6152.820.20000123.8
184K36.4Very low39.1Very low190 Ų190138.4 Ų138.483%0.82679%0.792SS**  trans84.9137.3151.3-87.2-165.3161.4-1750119.1
185V33.9Very low38.2Very low107 Ų107136.9 Ų136.965%0.64879%0.785SS**  cis176.5151.7-14.7123.60000106.1
186L34.5Very low37.4Very low158 Ų158136.5 Ų136.583%0.82778%0.782SS**  trans77.6114.1158-80.9153.5000122.3
187A31.2Very low36.4Very low100 Ų100141 Ų14183%0.82678%0.783SS**  67125.3129.800000121.7
188G30.8Very low35.9Very low82 Ų82142.9 Ų142.985%0.84579%0.787SS**  trans173.6117.6162.300000113.5
189S31Very low35.8Very low129 Ų129139.2 Ų139.290%0.90279%0.785SS**  trans-73.9141.6-169.3-1760000115.8
190G29.9Very low36.1Very low64 Ų64138.6 Ų138.666%0.6679%0.793SS**  67.5114.1129.400000121.2
191H31.7Very low35.6Very low198 Ų198137.9 Ų137.992%0.91780%0.799SS**  -178.6139.7117.6-118.165.3000111.6
192Q32.2Very low35.6Very low174 Ų174133.2 Ų133.281%0.81380%0.795SS**  trans-123.4169.1164.5169.1173.967.900104.7
193P47.2Very low35.4Very low103 Ų103135.2 Ų135.267%0.66980%0.799SS**  cis-134.3-163.72.918.110.4000114.7
194E29Very low35.4Very low164 Ų164137.5 Ų137.577%0.76680%0.801SS**  trans98149.6150.1-68.7-110.1104.300116.4
195H32.4Very low35.2Very low169 Ų169134 Ų13478%0.78280%0.8SS**  cis-175.4142.9-29.4-151.6-76.2000101.9
196G33.1Very low35.3Very low71 Ų71137.4 Ų137.473%0.73281%0.808SS**  trans158.375.2171.600000117.7
197K34.9Very low35.4Very low190 Ų190139.2 Ų139.283%0.82681%0.812SS**  trans-62.5144.9149-79177.9172.5-175.70108.9
198H36.1Very low35.9Very low187 Ų187143.3 Ų143.387%0.86681%0.812SS**  trans-172.8116.2132.3-84.5119.6000110
199S40.4Very low36.6Very low114 Ų114144.3 Ų144.380%0.79780%0.803SS**  trans-74.2156.1147.1-56.50000108.5
200P48.5Very low36.9Very low132 Ų132145.3 Ų145.386%0.85780%0.804SS**  -142.1179.9119.932.7-14.7000113.7
201A33.6Very low37.2Very low98 Ų98145.6 Ų145.681%0.8181%0.807SS**  trans-90.7178.4-150.400000115.8
202A40.4Very low37.6Very low89 Ų89143.3 Ų143.374%0.73681%0.807SS**  trans-54.8151.5179.300000115.7
203H39Very low37.7Very low192 Ų192138.6 Ų138.689%0.88981%0.805SS**  trans-138.6143.6153.6-90.3-82.5000111
204H36.5Very low37.4Very low177 Ų177146 Ų14682%0.81982%0.82SS**  trans-75156.6-170.6-74.1-100.5000115
205S32.9Very low37.8Very low116 Ų116146.9 Ų146.981%0.81182%0.824SS**  130145116.3710000117.5
206H37Very low38.4Very low178 Ų178146 Ų14682%0.82482%0.824SS**  trans-50.8145.6-173.5-72.5-93.9000117.5
207H36.6Very low38.4Very low197 Ų197152.4 Ų152.491%0.91283%0.826SS**  trans-143.3129.9137-127.1-84.8000110.9
208K41.8Very low38.8Very low186 Ų186151.8 Ų151.881%0.80982%0.824SS**  trans-93.8-176.2-179.1-144.7-156160.41770109.3
209P43.9Very low38.6Very low102 Ų102152.5 Ų152.566%0.66282%0.819SS**  -104.2163.4-12732.7-10.8000113
210T38Very low38.4Very low150 Ų150151.8 Ų151.892%0.9281%0.814SS**  trans-88.7116.9164.239.20000109.5
211G36.2Very low37.8Very low71 Ų71149.9 Ų149.973%0.73281%0.809SS**  trans-91.9141.7173.300000112
212T39.9Very low38Very low149 Ų149154.5 Ų154.591%0.91481%0.814SS**  trans-136.5125.9131.452.10000103.8
213G34.3Very low37.7Very low75 Ų75157.6 Ų157.677%0.77382%0.818SS**  cis113.566.624.700000108.8
214R40.4Very low37.5Very low258 Ų258154.8 Ų154.897%0.97481%0.81SS**  trans-154124.9149.1-114.9172.2170.1148.1-0.9110.9
215E37.8Very low37.5Very low184 Ų184151.8 Ų151.886%0.8681%0.808SS**  trans-93.3160.9-160.6-161.1-178.3136.700112.3
216L44.8Very low37.9Very low151 Ų151150.2 Ų150.279%0.79180%0.803SS**  trans-42149.2177.5-61.1150.5000116.2
217R33.6Very low38.1Very low204 Ų204148.8 Ų148.877%0.7781%0.807SS**  trans-144.899.6136.3-133-177.5176.6-166.5-2.4112R219R217-R219 VanDerWaalsContact NH2-NH2 3.13Å
218K42.4Very low38Very low177 Ų177145 Ų14577%0.7779%0.793SS**  trans-78.5133.4156-177.3175.9-176.2-178.40107.8
219R32Very low37.9Very low202 Ų202142.4 Ų142.476%0.76280%0.797SS**  trans-139.1122.5151.7-74.2-164.9178.3-123.6-9.4109.6R217R217-R219 VanDerWaalsContact NH2-NH2 3.13Å
220S37Very low37.6Very low100 Ų100142.4 Ų142.470%0.69980%0.795SS**  trans-73.8161.7160.7-47.80000110.9
221A34.5Very low37.6Very low91 Ų91141.6 Ų141.675%0.75279%0.785SS**  trans145.7109.6155.800000106.2
222E38.3Very low37.8Very low195 Ų195142.8 Ų142.891%0.91178%0.782SS**  38.498.265.4-72.8-172.7130.100112.2
223D34.7Very low37.6Very low154 Ų154141 Ų14182%0.82478%0.775SS**  149.5141.8108.3-153.47.6000112.3
224D33.9Very low38.6Very low133 Ų133142.7 Ų142.771%0.71177%0.772SS**  trans68.1111.3151.4-140.819.4000122
225S36.9Very low38.6Very low114 Ų114138.8 Ų138.880%0.79777%0.77SS**  -179.2124.5104.542.30000112.7
226A41.4Very low38.3Very low83 Ų83133.8 Ų133.869%0.68677%0.767SS**  trans-23134.5164.800000118.6
227T41.7Very low38.2Very low149 Ų149134.2 Ų134.291%0.91477%0.77SS**  -134.2100.4124.736.10000109.1
228D33.4Very low38.6Very low116 Ų116131.2 Ų131.262%0.6277%0.774SS**  trans-62.6132.1161.1179.317.2000110.6T230D228-T230 PolarHBondContact OD1-N 2.69Å; D228-T230 PolarHBondContact OD1-OG1 2.91Å; D228-T230 PolarHBondContact OD2-OG1 2.74Å
229C40.3Very low38.9Very low132 Ų132126.9 Ų126.989%0.89277%0.771SS**  trans-139.375.6152.5-770000107
230T38.1Very low38.9Very low103 Ų103125.6 Ų125.663%0.63277%0.773SS**  trans-47.1158.9148.618.30000111.1D228D228-T230 PolarHBondContact OD1-N 2.69Å; D228-T230 PolarHBondContact OD1-OG1 2.91Å; D228-T230 PolarHBondContact OD2-OG1 2.74Å
231D38.8Very low40.1Very low132 Ų132129.6 Ų129.671%0.70680%0.797SS**  cis-174.1157.9-8-163.7-24.1000106
232S38.8Very low40.4Very low96 Ų96131.5 Ų131.567%0.67180%0.799SS**  trans69.4141.3147.7-69.30000119.6
233C36.7Very low40.5Very low113 Ų113128.2 Ų128.276%0.76479%0.793SS**  cis-166.7149.226.8-144.80000110.6
234P54.3Low40.9Very low110 Ų110126.7 Ų126.771%0.71479%0.792SS**  trans-89.114315634.1-25.9000110
235L40.3Very low41.3Very low176 Ų176126.4 Ų126.492%0.92180%0.796SS**  trans156.2130.1145.4-84.4174.5000110.3
236G33.2Very low41.6Very low78 Ų78127.1 Ų127.180%0.80480%0.796SS**  trans-16572.1173.300000110.8
237L42.9Very low41.6Very low161 Ų161130.1 Ų130.184%0.84380%0.804SS**  trans-72.9138159.7-121.195.5000109
238T41.8Very low41.6Very low140 Ų140128.7 Ų128.786%0.85980%0.796SS**  trans175.1105.7145.324.20000107.4
239A48.3Very low42.2Very low86 Ų86129.7 Ų129.771%0.71181%0.809SS**  78.2105.577.700000114.8
240H32.5Very low42.3Very low175 Ų175129.5 Ų129.581%0.8180%0.803SS**  trans52.8154139.1-82-68.2000120.9
241P62.5Low42.7Very low184 Ų184131.9 Ų131.9100%1.19582%0.818SS**  cis-100.8047.4-0.521.9000115.3

Retrieved 241 of 241 residues in 226.1 ms (Link to these results)