G4LVR8_SCHMA Loading...

Trematode Eggshell Synthesis domain containing protein

AlphaFold DB , UniProt , Accession G4LVR8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 242 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
1M54.8Low82Confident197 Ų197124.5 Ų124.597%0.9760%0.597SS**  0-63.20-63.2-130.5-168.800112.4D4M1-D4 VanDerWaalsContact CA-OD2 3.27Å; M1-D4 WeakPolarHBondContact CA-OD2 3.41Å; M1-D4 PolarHBondContact N-OD2 3.36Å
2R67.3Low82.7Confident223 Ų223121.8 Ų121.884%0.84259%0.587SS**Hα-helixtrans-71.1-35177.9-70.3-175.4-178.4171.90.9113.8I6R2-I6 WeakPolarHBondContact O-CG1 3.02Å; R2-I6 PolarHBondContact O-N 3.49Å
3T78.6Confident83.1Confident77 Ų77118.5 Ų118.547%0.47258%0.579SS.*Hα-helixtrans-63.8-42.5178.646.10000112.2F5 I6 Y7T3-F5 VanDerWaalsContact C-N 3.29Å; T3-F5 PolarHBondContact O-N 3.09Å; T3-I6 PolarHBondContact O-N 2.93Å; T3-I6 VanDerWaalsContact O-N 3.09Å; T3-Y7 WeakPolarHBondContact O-CD2 3.27Å; T3-Y7 PolarHBondContact O-N 2.97Å
4D81.6Confident83.3Confident100 Ų100116.5 Ų116.554%0.53557%0.572SS.*Hα-helixtrans-64.3-37.3-175.5-44.9-45.5000111.3M1 Y7 L8M1-D4 VanDerWaalsContact CA-OD2 3.27Å; M1-D4 WeakPolarHBondContact CA-OD2 3.41Å; M1-D4 PolarHBondContact N-OD2 3.36Å; D4-Y7 PolarHBondContact O-N 3.31Å; D4-L8 WeakPolarHBondContact O-CB 3.47Å; D4-L8 PolarHBondContact O-N 3.32Å
5F84Confident83.7Confident133 Ų133119.2 Ų119.258%0.58358%0.575SS**Hα-helixtrans-67.2-39.2174.7-173.3-106.5000112.3T3 L8 L9T3-F5 VanDerWaalsContact C-N 3.29Å; T3-F5 PolarHBondContact O-N 3.09Å; F5-L8 PolarHBondContact O-N 2.9Å; F5-L9 HydrophobicContact CD1-CD1 3.65Å; F5-L9 HydrophobicContact CE1-CD1 3.26Å; F5-L9 HydrophobicContact CE1-CG 4.16Å; F5-L9 HydrophobicContact CZ-CD1 3.83Å; F5-L9 HydrophobicContact CZ-CG 4.29Å; F5-L9 PolarHBondContact O-N 3.37Å
6I88.8Confident83.6Confident110 Ų110115.6 Ų115.656%0.56457%0.565SS**Hα-helixtrans-65.9-42176.1-64.8167.2000110.4R2 T3 L8 L9 F10R2-I6 WeakPolarHBondContact O-CG1 3.02Å; R2-I6 PolarHBondContact O-N 3.49Å; T3-I6 PolarHBondContact O-N 2.93Å; T3-I6 VanDerWaalsContact O-N 3.09Å; I6-L8 VanDerWaalsContact C-N 3.35Å; I6-L8 PolarHBondContact O-N 3.44Å; I6-L9 PolarHBondContact O-N 2.96Å; I6-F10 WeakPolarHBondContact O-CB 3.41Å; I6-F10 PolarHBondContact O-N 2.79Å
7Y88.8Confident83.3Confident166 Ų166115.7 Ų115.765%0.65157%0.569SS**Hα-helixtrans-63.9-39.4175.7-73.4-64.5000112.4T3 D4 F10 A11T3-Y7 WeakPolarHBondContact O-CD2 3.27Å; T3-Y7 PolarHBondContact O-N 2.97Å; D4-Y7 PolarHBondContact O-N 3.31Å; Y7-F10 PolarHBondContact O-N 3.26Å; Y7-A11 WeakPolarHBondContact O-CB 3.36Å; Y7-A11 PolarHBondContact O-N 3.36Å
8L88.8Confident82.9Confident102 Ų102115.6 Ų115.653%0.53457%0.57SS.*Hα-helixtrans-64.6-45.4175.9-175.765.7000111.6D4 F5 I6 F10 A11 I12D4-L8 WeakPolarHBondContact O-CB 3.47Å; D4-L8 PolarHBondContact O-N 3.32Å; F5-L8 PolarHBondContact O-N 2.9Å; I6-L8 VanDerWaalsContact C-N 3.35Å; I6-L8 PolarHBondContact O-N 3.44Å; L8-F10 VanDerWaalsContact C-N 3.31Å; L8-F10 PolarHBondContact O-N 3.44Å; L8-A11 PolarHBondContact O-N 2.99Å; L8-I12 HydrophobicContact CD1-CD1 4.44Å; L8-I12 HydrophobicContact CG-CD1 4.07Å; L8-I12 VanDerWaalsContact O-CG1 3.28Å; L8-I12 WeakPolarHBondContact O-CG1 3.43Å; L8-I12 PolarHBondContact O-N 3.48Å
9L89.2Confident82.4Confident83 Ų83112 Ų11244%0.43556%0.557SS.*Hα-helixtrans-58.5-44.9174.1-86164.3000111.2F5 I6 A11 I12 T13F5-L9 HydrophobicContact CD1-CD1 3.65Å; F5-L9 HydrophobicContact CE1-CD1 3.26Å; F5-L9 HydrophobicContact CE1-CG 4.16Å; F5-L9 HydrophobicContact CZ-CD1 3.83Å; F5-L9 HydrophobicContact CZ-CG 4.29Å; F5-L9 PolarHBondContact O-N 3.37Å; I6-L9 PolarHBondContact O-N 2.96Å; L9-A11 PolarHBondContact O-N 3.37Å; L9-I12 PolarHBondContact O-N 3.34Å; L9-T13 WeakPolarHBondContact O-CG2 3.42Å; L9-T13 PolarHBondContact O-N 2.76Å; L9-T13 PolarHBondContact O-OG1 2.96Å
10F90.7Very high81.5Confident125 Ų125112.3 Ų112.355%0.54856%0.56SS.*Hα-helixtrans-62.3-43.6178.1-165-109.3000111.8I6 Y7 L8 I12 T13 L14I6-F10 WeakPolarHBondContact O-CB 3.41Å; I6-F10 PolarHBondContact O-N 2.79Å; Y7-F10 PolarHBondContact O-N 3.26Å; L8-F10 VanDerWaalsContact C-N 3.31Å; L8-F10 PolarHBondContact O-N 3.44Å; F10-I12 PolarHBondContact O-N 3.29Å; F10-T13 WeakPolarHBondContact CA-OG1 3.28Å; F10-T13 PolarHBondContact O-N 2.9Å; F10-T13 PolarHBondContact O-OG1 2.98Å; F10-L14 HydrophobicContact CD1-CD1 3.7Å; F10-L14 HydrophobicContact CD1-CG 4.27Å; F10-L14 HydrophobicContact CE1-CD1 3.43Å; F10-L14 VanDerWaalsContact CE1-CD1 3.43Å; F10-L14 HydrophobicContact CE1-CG 4.06Å; F10-L14 HydrophobicContact CZ-CD1 4.12Å; F10-L14 HydrophobicContact CZ-CD2 4.4Å; F10-L14 HydrophobicContact CZ-CG 4.34Å; F10-L14 WeakPolarHBondContact O-CG 3.43Å; F10-L14 PolarHBondContact O-N 3.45Å
11A89.5Confident80.4Confident53 Ų53112.3 Ų112.344%0.43856%0.562SS.*Hα-helixtrans-61.8-41.7176.800000112.6Y7 L8 L9 L14 Y15Y7-A11 WeakPolarHBondContact O-CB 3.36Å; Y7-A11 PolarHBondContact O-N 3.36Å; L8-A11 PolarHBondContact O-N 2.99Å; L9-A11 PolarHBondContact O-N 3.37Å; A11-L14 PolarHBondContact O-N 3.16Å; A11-Y15 WeakPolarHBondContact O-CB 3.45Å; A11-Y15 PolarHBondContact O-N 3.43Å
12I91Very high80.5Confident92 Ų92106.8 Ų106.847%0.47254%0.539SS..Hα-helixtrans-63.7-46.2176.2-65.8163.9000110L8 L9 F10 L14 Y15 S16L8-I12 HydrophobicContact CD1-CD1 4.44Å; L8-I12 HydrophobicContact CG-CD1 4.07Å; L8-I12 VanDerWaalsContact O-CG1 3.28Å; L8-I12 WeakPolarHBondContact O-CG1 3.43Å; L8-I12 PolarHBondContact O-N 3.48Å; L9-I12 PolarHBondContact O-N 3.34Å; F10-I12 PolarHBondContact O-N 3.29Å; I12-L14 PolarHBondContact O-N 3.06Å; I12-Y15 PolarHBondContact O-N 2.97Å; I12-S16 PolarHBondContact O-N 3.28Å; I12-S16 PolarHBondContact O-OG 3.37Å
13T87.3Confident79.8Confident79 Ų79101.4 Ų101.449%0.48553%0.527SS..Hα-helixtrans-62.9-40.1179.757.60000112.8L9 F10 S16 L17L9-T13 WeakPolarHBondContact O-CG2 3.42Å; L9-T13 PolarHBondContact O-N 2.76Å; L9-T13 PolarHBondContact O-OG1 2.96Å; F10-T13 WeakPolarHBondContact CA-OG1 3.28Å; F10-T13 PolarHBondContact O-N 2.9Å; F10-T13 PolarHBondContact O-OG1 2.98Å; T13-S16 PolarHBondContact O-N 3.43Å; T13-L17 WeakPolarHBondContact O-CB 3.4Å; T13-L17 PolarHBondContact O-N 3.07Å
14L86.6Confident78.6Confident91 Ų91101.2 Ų101.248%0.47653%0.529SS..Hα-helixtrans-66.2-39.4175.8-73.3177.3000112.2F10 A11 I12 L17 L18F10-L14 HydrophobicContact CD1-CD1 3.7Å; F10-L14 HydrophobicContact CD1-CG 4.27Å; F10-L14 HydrophobicContact CE1-CD1 3.43Å; F10-L14 VanDerWaalsContact CE1-CD1 3.43Å; F10-L14 HydrophobicContact CE1-CG 4.06Å; F10-L14 HydrophobicContact CZ-CD1 4.12Å; F10-L14 HydrophobicContact CZ-CD2 4.4Å; F10-L14 HydrophobicContact CZ-CG 4.34Å; F10-L14 WeakPolarHBondContact O-CG 3.43Å; F10-L14 PolarHBondContact O-N 3.45Å; A11-L14 PolarHBondContact O-N 3.16Å; I12-L14 PolarHBondContact O-N 3.06Å; L14-L17 PolarHBondContact O-N 3.46Å; L14-L18 WeakPolarHBondContact O-CB 3.48Å; L14-L18 PolarHBondContact O-N 3.43Å
15Y88.6Confident77.1Confident157 Ų157100.3 Ų100.362%0.61654%0.535SS*.Hα-helixtrans-64.8-45176.7-173.6-102.8000111.5A11 I12 L17 L18 C19A11-Y15 WeakPolarHBondContact O-CB 3.45Å; A11-Y15 PolarHBondContact O-N 3.43Å; I12-Y15 PolarHBondContact O-N 2.97Å; Y15-L17 VanDerWaalsContact C-N 3.35Å; Y15-L17 PolarHBondContact O-N 2.95Å; Y15-L18 PolarHBondContact O-N 3.48Å; Y15-C19 PolarHBondContact O-N 3.5Å; Y15-C19 PolarHBondContact O-SG 3.22Å
16S82.1Confident75.2Confident61 Ų61101.1 Ų101.143%0.42754%0.541SS..Hα-helixtrans-61-41.7175.7-61.20000112.5I12 T13 C19 L20I12-S16 PolarHBondContact O-N 3.28Å; I12-S16 PolarHBondContact O-OG 3.37Å; T13-S16 PolarHBondContact O-N 3.43Å; S16-C19 PolarHBondContact O-N 3Å; S16-L20 PolarHBondContact O-N 3.45Å
17L78.6Confident72.5Confident118 Ų118103.3 Ų103.362%0.61855%0.551SS**Hα-helixtrans-66.1-39.6177.9-151.778.1000111.6T13 L14 Y15 L20 N21T13-L17 WeakPolarHBondContact O-CB 3.4Å; T13-L17 PolarHBondContact O-N 3.07Å; L14-L17 PolarHBondContact O-N 3.46Å; Y15-L17 VanDerWaalsContact C-N 3.35Å; Y15-L17 PolarHBondContact O-N 2.95Å; L17-L20 PolarHBondContact O-N 3.23Å; L17-N21 WeakPolarHBondContact O-CB 3.43Å; L17-N21 PolarHBondContact O-N 3.01Å
18L77Confident70Confident113 Ų113100.9 Ų100.959%0.59256%0.555SS**Hα-helixtrans-63.9-42.9175.6-165.677.2000111.4L14 Y15 L20 N21 V22L14-L18 WeakPolarHBondContact O-CB 3.48Å; L14-L18 PolarHBondContact O-N 3.43Å; Y15-L18 PolarHBondContact O-N 3.48Å; L18-L20 PolarHBondContact O-N 3.25Å; L18-N21 PolarHBondContact O-N 3.2Å; L18-V22 WeakPolarHBondContact O-CG2 3.37Å; L18-V22 PolarHBondContact O-N 3.23Å
19C73.1Confident67.4Low48 Ų48104.2 Ų104.232%0.32457%0.568SS.*Hα-helixtrans-62.2-41.9177.2-70.80000112.4Y15 S16 N23Y15-C19 PolarHBondContact O-N 3.5Å; Y15-C19 PolarHBondContact O-SG 3.22Å; S16-C19 PolarHBondContact O-N 3Å; C19-N23 VanDerWaalsContact O-CG 3.31Å; C19-N23 PolarHBondContact O-N 3.32Å; C19-N23 PolarHBondContact O-ND2 3.09Å
20L64.3Low64.7Low118 Ų118107.3 Ų107.362%0.61859%0.591SS**Hα-helixtrans-64.2-42.8176.4-75.1169.8000111.5S16 L17 L18 V22 N23 S24S16-L20 PolarHBondContact O-N 3.45Å; L17-L20 PolarHBondContact O-N 3.23Å; L18-L20 PolarHBondContact O-N 3.25Å; L20-V22 PolarHBondContact O-N 2.96Å; L20-N23 PolarHBondContact O-N 3.48Å; L20-S24 PolarHBondContact O-N 3.31Å; L20-S24 PolarHBondContact O-OG 2.96Å
21N57.8Low62Low112 Ų112107.8 Ų107.860%0.59960%0.604SS**Hα-helixtrans-70.1-33.4-176.4-141.9-5000112.8L17 L18 N23 S24 A25L17-N21 WeakPolarHBondContact O-CB 3.43Å; L17-N21 PolarHBondContact O-N 3.01Å; L18-N21 PolarHBondContact O-N 3.2Å; N21-N23 VanDerWaalsContact C-N 3.33Å; N21-S24 WeakPolarHBondContact CA-OG 3.33Å; N21-S24 PolarHBondContact O-OG 3.15Å; N21-S24 VanDerWaalsContact O-OG 3.09Å; N21-S24 PolarHBondContact OD1-OG 3.05Å; N21-A25 PolarHBondContact O-N 3.46Å; N21-A25 VanDerWaalsContact O-N 3.15Å
22V57.7Low59.2Low82 Ų82114 Ų11450%0.49762%0.624SS.*Hα-helixtrans-67.7-35.4173173.70000111.3L18 L20L18-V22 WeakPolarHBondContact O-CG2 3.37Å; L18-V22 PolarHBondContact O-N 3.23Å; L20-V22 PolarHBondContact O-N 2.96Å
23N52.8Low56.4Low109 Ų109116.3 Ų116.358%0.58364%0.642SS**Hα-helixtrans-74.3-35177.5-70.2-19.4000112.2C19 L20 N21 Q26C19-N23 VanDerWaalsContact O-CG 3.31Å; C19-N23 PolarHBondContact O-N 3.32Å; C19-N23 PolarHBondContact O-ND2 3.09Å; L20-N23 PolarHBondContact O-N 3.48Å; N21-N23 VanDerWaalsContact C-N 3.33Å; N23-Q26 PolarHBondContact O-N 3.49Å
24S51.8Low53.8Low73 Ų73119.9 Ų119.951%0.5166%0.658SS.*Hα-helixtrans-73.8-25.7176.652.70000113.5L20 N21 Q26L20-S24 PolarHBondContact O-N 3.31Å; L20-S24 PolarHBondContact O-OG 2.96Å; N21-S24 WeakPolarHBondContact CA-OG 3.33Å; N21-S24 PolarHBondContact O-OG 3.15Å; N21-S24 VanDerWaalsContact O-OG 3.09Å; N21-S24 PolarHBondContact OD1-OG 3.05Å; S24-Q26 PolarHBondContact O-N 3.29Å
25A51.2Low51.4Low81 Ų81123 Ų12367%0.66967%0.674SS**THydrogen-bonded Turntrans-74.1-2.6176.400000114.1N21N21-A25 PolarHBondContact O-N 3.46Å; N21-A25 VanDerWaalsContact O-N 3.15Å
26Q42.8Very low48.5Very low151 Ų151120.8 Ų120.871%0.70668%0.677SS**THydrogen-bonded Turntrans-108.725179-76.7-173.59.400114.3N23 S24N23-Q26 PolarHBondContact O-N 3.49Å; S24-Q26 PolarHBondContact O-N 3.29Å
27M32.7Very low46Very low156 Ų156123.5 Ų123.577%0.76870%0.695SS**  trans-119.3101.4168.4-69.7-68149.900109.4
28P36.1Very low43.6Very low115 Ų115126 Ų12675%0.74770%0.703SS**  -133118.6112.630.5-16.4000112.6
29E34.3Very low41.4Very low172 Ų172128.1 Ų128.180%0.80471%0.712SS**  trans26.7105.9135.1-63.9178.3165.900118.6
30T33.2Very low39.4Very low148 Ų148137.4 Ų137.491%0.90874%0.74SS**  -151.878.1126.251.60000108.3
31T34.3Very low37.7Very low135 Ų135139.2 Ų139.283%0.82875%0.745SS**  trans-97.595.1167.928.60000109
32E30.3Very low36.6Very low183 Ų183138.9 Ų138.986%0.85575%0.752SS**  trans-137.795.2151.9-73.8-164.7175.300108.7
33T32.3Very low35.3Very low140 Ų140142.4 Ų142.486%0.85977%0.768SS**  trans-17095.9139.821.40000107.2I35T33-I35 PolarHBondContact O-N 3.35Å
34N32.9Very low34.4Very low154 Ų154142.2 Ų142.282%0.82478%0.775SS**  trans-54.9114.3174-67.7-44.5000110.8
35I35.5Very low33.5Very low158 Ų158145.7 Ų145.781%0.8179%0.788SS**  trans-128.587.3152-54.8179.6000106.4T33 C37T33-I35 PolarHBondContact O-N 3.35Å; I35-C37 PolarHBondContact O-N 2.85Å; I35-C37 VanDerWaalsContact O-N 3.12Å
36T27.8Very low32.7Very low109 Ų109146 Ų14667%0.66979%0.786SS**  trans-66.3101170.8-40.30000108.5E38T36-E38 HydrophobicContact CG2-CG 4.08Å
37C30.4Very low32.1Very low119 Ų119145.8 Ų145.880%0.80478%0.784SS**  trans-125.893.2157.7-93.60000106.3I35I35-C37 PolarHBondContact O-N 2.85Å; I35-C37 VanDerWaalsContact O-N 3.12Å
38E28.2Very low32.2Very low171 Ų171144.5 Ų144.580%0.79978%0.78SS**  trans-67.5136.4177.7-72.2178.5159.200111.9T36T36-E38 HydrophobicContact CG2-CG 4.08Å
39M29.4Very low32Very low156 Ų156144.7 Ų144.777%0.76878%0.78SS**  trans60.3108.3155.4-58.8-149.8101.900120
40R32.3Very low31.9Very low243 Ų243143.8 Ų143.892%0.91778%0.775SS**  -160.1111106.3-101.2170.4-173.9161.94109.6S42R40-S42 PolarHBondContact O-N 2.77Å
41E28.7Very low31.8Very low156 Ų156144.8 Ų144.873%0.72977%0.771SS**  trans-52.6124.8165.7-75.5165.7145.600109.3
42S33.3Very low31.8Very low105 Ų105144.1 Ų144.173%0.73476%0.763SS**  trans-14088.4159.2-690000105.1R40 S44R40-S42 PolarHBondContact O-N 2.77Å; S42-S44 VanDerWaalsContact C-N 3.32Å; S42-S44 PolarHBondContact O-N 2.97Å
43D30.8Very low31.8Very low156 Ų156142.2 Ų142.283%0.83476%0.764SS**  trans-50.595.2170.3-70.4-41.2000109.6
44S35.2Very low32.1Very low105 Ų105145 Ų14573%0.73476%0.764SS**  trans-116.687.8160.654.10000107S42 S46S42-S44 VanDerWaalsContact C-N 3.32Å; S42-S44 PolarHBondContact O-N 2.97Å; S44-S46 PolarHBondContact O-N 3.25Å
45N31.4Very low32.1Very low146 Ų146146.3 Ų146.378%0.78177%0.765SS**  trans-61.377.3174.8-156.14.5000109.6H47N45-H47 PolarHBondContact O-N 3.23Å
46S34.9Very low32Very low89 Ų89144.2 Ų144.262%0.62277%0.765SS**  trans-88.779.3176.71550000108.6S44 N48S44-S46 PolarHBondContact O-N 3.25Å; S46-N48 PolarHBondContact O-N 3.19Å
47H30.3Very low32.2Very low146 Ų146150.1 Ų150.168%0.67678%0.775SS**  trans-54.7101.8162.8-101.538.1000109.9N45N45-H47 PolarHBondContact O-N 3.23Å
48N35.2Very low32.1Very low128 Ų128153.6 Ų153.668%0.68478%0.779SS**  trans-127.467.9168.2-95.9-41.4000108.5S46 H50S46-N48 PolarHBondContact O-N 3.19Å; N48-H50 PolarHBondContact O-N 3.18Å
49T32.4Very low32.5Very low119 Ų119155.1 Ų155.173%0.7378%0.783SS**  trans-78.889.6167.848.10000108.8
50H31.7Very low32.5Very low154 Ų154156.1 Ų156.171%0.71379%0.786SS**  trans-108.889.7164.9-160-72.8000108.7N48 N52N48-H50 PolarHBondContact O-N 3.18Å; H50-N52 PolarHBondContact ND1-OD1 3.32Å; H50-N52 PolarHBondContact O-N 3.2Å
51M30.1Very low32.6Very low168 Ų168151.2 Ų151.283%0.82878%0.778SS**  trans-60.4115.6172.6-73.4-70.4178.600109.3
52N34.1Very low32.8Very low122 Ų122154.5 Ų154.565%0.65278%0.784SS**  trans-105.492.5174.8-85.1-23.2000109.2H50 K54H50-N52 PolarHBondContact ND1-OD1 3.32Å; H50-N52 PolarHBondContact O-N 3.2Å; N52-K54 PolarHBondContact O-N 3.24Å
53T32.1Very low32.9Very low142 Ų142156 Ų15687%0.87178%0.784SS**  trans-74.699.1166.79.20000109Q55T53-Q55 PolarHBondContact O-N 3.12Å
54K37.9Very low33.3Very low198 Ų198154.1 Ų154.186%0.86178%0.782SS**  trans-77.393.9175.1-67.1177.9-178.81750109.7N52 S56N52-K54 PolarHBondContact O-N 3.24Å; K54-S56 PolarHBondContact O-N 3.2Å
55Q33.6Very low33.1Very low182 Ų182158.1 Ų158.185%0.8579%0.789SS**  trans-77.9105.6161.4-80.4-173.8-6.100109.1T53 R57T53-Q55 PolarHBondContact O-N 3.12Å; Q55-R57 PolarHBondContact O-N 3.28Å
56S32Very low33.2Very low115 Ų115154.8 Ų154.880%0.80479%0.789SS**  trans-65.8110.3173.3-179.50000109.9K54K54-S56 PolarHBondContact O-N 3.2Å
57R32.7Very low33Very low233 Ų233157.8 Ų157.888%0.87980%0.799SS**  trans-99.5110.6165.3-88.7-178.3164.3164.7-4.2108.4Q55 K59Q55-R57 PolarHBondContact O-N 3.28Å; R57-K59 PolarHBondContact O-N 2.92Å
58Q28.4Very low33.2Very low192 Ų192162.4 Ų162.490%0.89781%0.81SS**  trans-54129171.6-76.2172-32.400110.2
59K36.1Very low33.1Very low203 Ų203161 Ų16188%0.88381%0.81SS**  trans-118108168.3-96.4-173.5172.8-172.90107.8R57R57-K59 PolarHBondContact O-N 2.92Å
60E29Very low33.2Very low176 Ų176162.4 Ų162.482%0.82281%0.813SS**  trans-67.7127.1169.3-70.7-177.5160.100109.8
61N34Very low33.5Very low141 Ų141164.1 Ų164.175%0.75482%0.822SS**  trans-96.6102.7-177.4-157.221.2000107.8
62R33Very low33.8Very low225 Ų225165.5 Ų165.585%0.84983%0.826SS**  trans-102.197.7169.1-77.8-173.2-179.6174.51.7108.9S64R62-S64 PolarHBondContact O-N 3.06Å
63N35.8Very low33.8Very low136 Ų136164.4 Ų164.473%0.72783%0.828SS**  trans-65.8118.5168.4-70.4-7.9000109.3
64S39Very low33.8Very low116 Ų116165.6 Ų165.681%0.81183%0.828SS**  trans-115.5104.7159.251.40000108.9R62R62-S64 PolarHBondContact O-N 3.06Å
65H31.7Very low33.7Very low189 Ų189165.2 Ų165.288%0.87582%0.821SS**  trans-58.4141.8165.8-90.5-3.9000111.6
66G33.5Very low33.8Very low76 Ų76163.2 Ų163.278%0.78482%0.817SS**  trans-169.588.4171.300000111.6
67N31Very low34Very low153 Ų153165.3 Ų165.382%0.81882%0.819SS**  trans-57.6151.1172.2-69.9-35000113.4
68R34.1Very low34.1Very low242 Ų242160 Ų16091%0.91381%0.812SS**  trans-17399.8138.3-100.5161.4-168.5-155.43.6112.5
69S31.9Very low34.6Very low98 Ų98157.9 Ų157.969%0.68581%0.812SS**  trans18.2128.1133.846.80000122.3
70D35.2Very low34.2Very low149 Ų149149.8 Ų149.880%0.79779%0.786SS**  trans51.6101130.1-57.4-25.6000121.1
71E37.2Very low34.3Very low191 Ų191151.8 Ų151.889%0.89379%0.793SS**  trans-140.4124.9143.2-72.9-168.416700111.2S73E71-S73 PolarHBondContact O-N 2.73Å
72H36.8Very low34.1Very low197 Ų197151.7 Ų151.791%0.91279%0.787SS**  trans-63.7106.6178.6-62.7-81.5000111.5
73S35.5Very low34Very low99 Ų99145.6 Ų145.669%0.69278%0.779SS**  trans-107110.6164.472.90000110.7E71 R75E71-S73 PolarHBondContact O-N 2.73Å; S73-R75 VanDerWaalsContact C-N 3.3Å; S73-R75 PolarHBondContact O-N 2.98Å
74N32.3Very low33.9Very low166 Ų166142.6 Ų142.689%0.88877%0.769SS**  trans-67.685173.5-159.99.6000108.4
75R34.5Very low33.7Very low190 Ų190144 Ų14472%0.71777%0.767SS**  trans-104.1103.6-174.7-153.6174.6-1701792.8109.5S73 D77S73-R75 VanDerWaalsContact C-N 3.3Å; S73-R75 PolarHBondContact O-N 2.98Å; R75-D77 PolarHBondContact O-N 2.95Å
76N36.7Very low33.9Very low141 Ų141143.7 Ų143.775%0.75477%0.766SS**  trans-43.4123.8166.1-74.8-28.6000110.1V78N76-V78 PolarHBondContact O-N 3.26Å
77D34.7Very low34Very low158 Ų158146.3 Ų146.385%0.84577%0.766SS**  trans-61.575.5-179.7-79.8-33.5000111.7R75 V79R75-D77 PolarHBondContact O-N 2.95Å; D77-V79 VanDerWaalsContact C-N 3.33Å; D77-V79 PolarHBondContact O-N 3.46Å; D77-V79 VanDerWaalsContact O-N 3.14Å
78V35.2Very low34Very low122 Ų122143.4 Ų143.474%0.73975%0.747SS**  trans-74.497.7155.5179.50000105.2N76 G80N76-V78 PolarHBondContact O-N 3.26Å; V78-G80 PolarHBondContact O-N 2.75Å
79V40.3Very low33.9Very low148 Ų148143 Ų14390%0.89775%0.745SS**  trans-68.368.1170.8-171.20000108.5D77D77-V79 VanDerWaalsContact C-N 3.33Å; D77-V79 PolarHBondContact O-N 3.46Å; D77-V79 VanDerWaalsContact O-N 3.14Å
80G27.4Very low34Very low33 Ų33145.8 Ų145.834%0.3475%0.752SS.*  trans-105138.1171.300000108.6V78 H82V78-G80 PolarHBondContact O-N 2.75Å; G80-H82 PolarHBondContact O-N 2.98Å; G80-H82 PolarHBondContact O-ND1 2.93Å
81F31.1Very low34.4Very low218 Ų218144.4 Ų144.496%0.95674%0.739SS**  trans-41.2100.5-179.7-58.8-88.4000112.3
82H28.3Very low34.2Very low139 Ų139142 Ų14264%0.64472%0.722SS**  trans-91.1102.7167.7-77.718.4000106.8G80 S84G80-H82 PolarHBondContact O-N 2.98Å; G80-H82 PolarHBondContact O-ND1 2.93Å; H82-S84 PolarHBondContact O-N 3.09Å; H82-S84 VanDerWaalsContact O-N 3.13Å
83S31.6Very low34.2Very low96 Ų96137.2 Ų137.267%0.67171%0.711SS**  trans-69.3100.2163.647.60000107.1D85S83-D85 PolarHBondContact O-N 2.71Å
84S33Very low34.2Very low73 Ų73137.7 Ų137.751%0.5171%0.706SS.*  trans-69.9107.1165.735.20000108H82 E86H82-S84 PolarHBondContact O-N 3.09Å; H82-S84 VanDerWaalsContact O-N 3.13Å; S84-E86 PolarHBondContact O-N 2.76Å; S84-E86 VanDerWaalsContact O-N 3.15Å
85D36.6Very low34.6Very low146 Ų146135.8 Ų135.878%0.78169%0.692SS**THydrogen-bonded Turntrans-65-17-171.3-73.2-36.6000113.9S83S83-D85 PolarHBondContact O-N 2.71Å
86E34.5Very low34.9Very low183 Ų183138.6 Ų138.686%0.85570%0.702SS**THydrogen-bonded Turntrans-96.6-11-161.6-124.2176.1172.500117.3S84S84-E86 PolarHBondContact O-N 2.76Å; S84-E86 VanDerWaalsContact O-N 3.15Å
87V35.9Very low35Very low130 Ų130141 Ų14179%0.78870%0.701SS**THydrogen-bonded Turntrans-131.32.8-176.3-169.60000114.5
88F31.2Very low35.4Very low93 Ų93134.8 Ų134.841%0.40867%0.67SS.*G310 helixtrans-93.87.8-179.8-81-77.6000115.8L90 K91 Y92F88-L90 PolarHBondContact O-N 2.92Å; F88-K91 HydrophobicContact CD1-CB 4.38Å; F88-K91 HydrophobicContact CD1-CD 3.95Å; F88-K91 HydrophobicContact CD1-CG 4.34Å; F88-K91 HydrophobicContact CE1-CD 4Å; F88-K91 PolarHBondContact O-N 2.96Å; F88-Y92 HydrophobicContact CB-CE2 4.21Å
89R31.4Very low36Very low232 Ų232134.1 Ų134.188%0.87566%0.662SS**G310 helixtrans-59.6-17.4177.8-77-174.569.5-153-1.4114.1
90L33.9Very low36.3Very low158 Ų158127.8 Ų127.883%0.82762%0.623SS**G310 helixtrans-82.8-12.6175.6-137.180.2000114.8F88F88-L90 PolarHBondContact O-N 2.92Å
91K43.8Very low37.1Very low119 Ų119135.9 Ų135.952%0.51765%0.645SS.*THydrogen-bonded Turntrans-97.8-14.6-174.6-80-164.4-179.5-178.20115.7F88F88-K91 HydrophobicContact CD1-CB 4.38Å; F88-K91 HydrophobicContact CD1-CD 3.95Å; F88-K91 HydrophobicContact CD1-CG 4.34Å; F88-K91 HydrophobicContact CE1-CD 4Å; F88-K91 PolarHBondContact O-N 2.96Å
92Y32.7Very low38Very low140 Ų140126 Ų12655%0.54960%0.603SS.*SBendtrans-96-8.2-177.9-61.5-68.7000114.5F88 N94 Q95F88-Y92 HydrophobicContact CB-CE2 4.21Å; Y92-N94 PolarHBondContact O-N 3.06Å; Y92-Q95 HydrophobicContact CD1-CG 4.32Å; Y92-Q95 VanDerWaalsContact CD1-NE2 3.3Å; Y92-Q95 VanDerWaalsContact O-CB 3.28Å; Y92-Q95 WeakPolarHBondContact O-CB 3.35Å; Y92-Q95 PolarHBondContact O-N 3.36Å
93S37.6Very low39.1Very low98 Ų98128 Ų12869%0.68561%0.609SS**THydrogen-bonded Turntrans-63.9-27.9173.656.40000112.3
94N36.6Very low40.5Very low109 Ų109126.1 Ų126.158%0.58361%0.605SS**THydrogen-bonded Turntrans-9915.8177.1-71.8-23.3000113.8Y92 R96 R97Y92-N94 PolarHBondContact O-N 3.06Å; N94-R96 PolarHBondContact O-N 2.85Å; N94-R97 PolarHBondContact O-N 3.41Å
95Q40.3Very low42Very low125 Ų125123.1 Ų123.158%0.58458%0.583SS**THydrogen-bonded Turntrans-57.7-15.7-175.8-157173.634.100114Y92Y92-Q95 HydrophobicContact CD1-CG 4.32Å; Y92-Q95 VanDerWaalsContact CD1-NE2 3.3Å; Y92-Q95 VanDerWaalsContact O-CB 3.28Å; Y92-Q95 WeakPolarHBondContact O-CB 3.35Å; Y92-Q95 PolarHBondContact O-N 3.36Å
96R41.1Very low43.5Very low249 Ų249119.1 Ų119.194%0.9456%0.56SS**THydrogen-bonded Turntrans-87.9-17.9174.5-72.9-169.1162.7-164.4-4.6115.4N94N94-R96 PolarHBondContact O-N 2.85Å
97R37.1Very low45Very low193 Ų193112.5 Ų112.573%0.72853%0.531SS*.SBendtrans-112.896.8176.9-74-176.2167.6-172.4-3.7107.4N94 D99N94-R97 PolarHBondContact O-N 3.41Å; R97-D99 PolarHBondContact O-N 2.83Å
98S43.9Very low46.4Very low26 Ų26110.3 Ų110.318%0.18251%0.511CS..  trans-55138.4158.744.10000109.3I100 Y105S98-I100 CarbonylContact C-O 3.55Å; S98-I100 CarbonylContact O-C 3.58Å; S98-I100 PolarHBondContact O-N 3.45Å; S98-I100 PolarHBondContact OG-O 2.88Å; S98-Y105 WeakPolarHBondContact CB-O 3.26Å; S98-Y105 PolarHBondContact OG-O 3.28Å
99D48Very low48.1Very low109 Ų109110.6 Ų110.658%0.58352%0.517SS*.SBendtrans-62-11.7172.6-74.36.4000112.1R97 R153R97-D99 PolarHBondContact O-N 2.83Å; D99-R153 IonicContact OD2-NH1 3.4Å; D99-R153 PolarHBondContact OD2-NH1 2.94Å
100I45.5Very low49.7Very low14 Ų14101.2 Ų101.27%0.07249%0.492CS..SBendtrans-81.5118.9159.5-35.5169000107.7S98 T102 Y105 F124 F142 F160S98-I100 CarbonylContact C-O 3.55Å; S98-I100 CarbonylContact O-C 3.58Å; S98-I100 PolarHBondContact O-N 3.45Å; S98-I100 PolarHBondContact OG-O 2.88Å; I100-T102 WeakPolarHBondContact CB-OG1 3.48Å; I100-T102 HydrophobicContact CG2-CG2 3.68Å; I100-T102 WeakPolarHBondContact CG2-OG1 3.41Å; I100-T102 PolarHBondContact O-N 3.19Å; I100-Y105 HydrophobicContact CD1-CG 4.15Å; I100-F124 HydrophobicContact CD1-CB 3.84Å; I100-F124 HydrophobicContact CD1-CD1 3.16Å; I100-F124 HydrophobicContact CD1-CD2 4.28Å; I100-F124 HydrophobicContact CD1-CE1 3.52Å; I100-F124 HydrophobicContact CD1-CG 3.55Å; I100-F124 HydrophobicContact CD1-CZ 4.18Å; I100-F124 HydrophobicContact CG1-CD1 3.54Å; I100-F124 HydrophobicContact CG1-CE1 3.32Å; I100-F124 HydrophobicContact CG1-CG 4.31Å; I100-F124 HydrophobicContact CG1-CZ 3.96Å; I100-F142 HydrophobicContact CD1-CE1 3.73Å; I100-F142 HydrophobicContact CD1-CZ 3.53Å; I100-F160 HydrophobicContact CD1-CE2 4.45Å; I100-F160 HydrophobicContact CG2-CD2 4.04Å; I100-F160 HydrophobicContact CG2-CG 4.23Å
101Y45.8Very low51.4Low203 Ų203102.5 Ų102.580%0.79649%0.491SS*.SBendtrans-52-12.9173.8-73.3-85.6000114.3K103Y101-K103 PolarHBondContact O-N 2.87Å
102T49.5Very low52.2Low12 Ų12103.1 Ų103.17%0.07449%0.49CS..SBendtrans-79.2113.6-178.460.60000109.8I100 G104 Y105 F160 G164I100-T102 WeakPolarHBondContact CB-OG1 3.48Å; I100-T102 HydrophobicContact CG2-CG2 3.68Å; I100-T102 WeakPolarHBondContact CG2-OG1 3.41Å; I100-T102 PolarHBondContact O-N 3.19Å; T102-G104 PolarHBondContact O-N 3.29Å; T102-Y105 WeakPolarHBondContact OG1-CD2 3.34Å; T102-F160 HydrophobicContact CG2-CB 4.06Å; T102-F160 HydrophobicContact CG2-CD1 4.21Å; T102-F160 HydrophobicContact CG2-CG 4.14Å; T102-G164 VanDerWaalsContact CB-CA 3.47Å
103K51.7Low53.7Low179 Ų179106.3 Ų106.378%0.77850%0.501SS*.THydrogen-bonded Turntrans-52.1132.5179.8-68.4177.6179.7174.70110.8Y101Y101-K103 PolarHBondContact O-N 2.87Å
104G60.8Low55.1Low58 Ų58110.1 Ų110.160%0.59850%0.501SS*.THydrogen-bonded Turntrans99.3-8164.700000117.4T102T102-G104 PolarHBondContact O-N 3.29Å
105Y65.2Low57Low10 Ų10107.9 Ų107.94%0.03950%0.503CS..EExtended strand (participates in β ladder)trans-79.7132.1171.9-76.1-91.3000110.5S98 I100 T102 F124 R126 S140 F142 F160 G164S98-Y105 WeakPolarHBondContact CB-O 3.26Å; S98-Y105 PolarHBondContact OG-O 3.28Å; I100-Y105 HydrophobicContact CD1-CG 4.15Å; T102-Y105 WeakPolarHBondContact OG1-CD2 3.34Å; Y105-F124 HydrophobicContact CD1-CB 4.32Å; Y105-R126 HydrophobicContact CD1-CB 3.7Å; Y105-R126 HydrophobicContact CD2-CB 4.38Å; Y105-R126 HydrophobicContact CE1-CB 3.53Å; Y105-R126 HydrophobicContact CE2-CB 4.24Å; Y105-R126 HydrophobicContact CG-CB 4.12Å; Y105-S140 WeakPolarHBondContact CE1-OG 3.49Å; Y105-S140 PolarHBondContact OH-OG 3.25Å; Y105-F142 HydrophobicContact CD1-CD1 4.44Å; Y105-F142 HydrophobicContact CD1-CE1 4.06Å; Y105-F142 HydrophobicContact CE1-CD1 4.21Å; Y105-F142 HydrophobicContact CE1-CE1 4.15Å; Y105-F160 HydrophobicContact CE1-CE1 4.37Å; Y105-F160 HydrophobicContact CE2-CD1 4.48Å; Y105-F160 HydrophobicContact CE2-CE1 4.11Å; Y105-F160 AromaticContact CZ-CE1 3.93Å; Y105-G164 VanDerWaalsContact CE2-O 3.3Å; Y105-G164 WeakPolarHBondContact CE2-O 3.43Å; Y105-G164 PolarHBondContact OH-O 2.94Å
106Q67.1Low58.7Low62 Ų62107.9 Ų107.929%0.2952%0.517SS..EExtended strand (participates in β ladder)trans-90.9128.7166.8-171.2171.319.900108.8F108 F124 R125Q106-F108 HydrophobicContact CB-CE2 3.77Å; Q106-F108 HydrophobicContact CB-CZ 4.18Å; Q106-F108 HydrophobicContact CG-CD2 4.33Å; Q106-F108 HydrophobicContact CG-CE1 4.3Å; Q106-F108 HydrophobicContact CG-CE2 3.59Å; Q106-F108 HydrophobicContact CG-CZ 3.6Å; Q106-F124 WeakPolarHBondContact O-CA 3.41Å; Q106-R125 PolarHBondContact N-O 2.77Å; Q106-R125 PolarHBondContact O-N 3.49Å
107T65.5Low60Low43 Ų43101.6 Ų101.626%0.26450%0.496SS..EExtended strand (participates in β ladder)trans-94.5129.5178.6-53.90000110.2T122 F124T107-T122 HydrophobicContact CG2-CG2 3.51Å; T107-F124 HydrophobicContact CG2-CD1 3.64Å; T107-F124 HydrophobicContact CG2-CE1 3.39Å; T107-F124 HydrophobicContact CG2-CZ 4.26Å; T107-F124 WeakPolarHBondContact OG1-CD1 3.29Å; T107-F124 VanDerWaalsContact OG1-CE1 3.32Å; T107-F124 WeakPolarHBondContact OG1-CE1 3.45Å
108F65.5Low61.4Low84 Ų8495.9 Ų95.937%0.36849%0.486SS..EExtended strand (participates in β ladder)trans-120.6126.1176.5-61.6-89.4000109Q106 T122 T123 R125Q106-F108 HydrophobicContact CB-CE2 3.77Å; Q106-F108 HydrophobicContact CB-CZ 4.18Å; Q106-F108 HydrophobicContact CG-CD2 4.33Å; Q106-F108 HydrophobicContact CG-CE1 4.3Å; Q106-F108 HydrophobicContact CG-CE2 3.59Å; Q106-F108 HydrophobicContact CG-CZ 3.6Å; F108-T122 CarbonylContact O-C 3.59Å; F108-T122 WeakPolarHBondContact O-CA 3.45Å; F108-T123 PolarHBondContact N-O 3.49Å; F108-T123 PolarHBondContact O-N 3.12Å; F108-R125 HydrophobicContact CD2-CB 4.43Å; F108-R125 HydrophobicContact CE2-CB 4.02Å
109L66.5Low62.4Low100 Ų10096.4 Ų96.452%0.52449%0.486SS..EExtended strand (participates in β ladder)trans-103.3131.3176.9-64.4169.4000109.2V120 T122L109-V120 HydrophobicContact CD2-CG1 4.2Å; L109-T122 HydrophobicContact CD2-CG2 3.71Å; L109-T122 VanDerWaalsContact CD2-OG1 3.25Å; L109-T122 WeakPolarHBondContact CD2-OG1 3.42Å
110G66.1Low63.2Low34 Ų3492.6 Ų92.635%0.35147%0.466SS..EExtended strand (participates in β ladder)trans-135.6160.3173.500000111.1V120 R121G110-V120 WeakPolarHBondContact O-CA 3.28Å; G110-R121 PolarHBondContact N-O 3.03Å; G110-R121 PolarHBondContact O-N 3.14Å
111K69Low64.2Low185 Ų18596 Ų9680%0.80448%0.478SS*.EExtended strand (participates in β ladder)trans-102.6132.5168.6-66.3-176.1-179.8-177.20108.4H119K111-H119 CarbonylContact C-O 3.56Å; K111-H119 WeakPolarHBondContact CA-O 3.32Å
112R61Low65.1Low133 Ų13386.5 Ų86.550%0.50244%0.441SS..EExtended strand (participates in β ladder)trans-124.1129.6172.9-176177.8178.8-177.60.5109H119 Y145R112-H119 PolarHBondContact N-O 2.94Å; R112-H119 PolarHBondContact O-N 3.08Å; R112-Y145 PolarHBondContact NH1-OH 3.1Å
113R65.2Low65.8Low207 Ų20787 Ų8778%0.78144%0.444SS*.EExtended strand (participates in β ladder)trans-84.5129.9172.5-162.8171.677.3137.50.4109.5G115R113-G115 WeakPolarHBondContact CG-O 3.29Å
114R66.7Low66.5Low178 Ų17878.8 Ų78.867%0.67241%0.408SS*.EExtended strand (participates in β ladder)trans-130.5104.9170.2-170.8177.9-175.7-178.20107.6K117R114-K117 PolarHBondContact N-O 3.09Å; R114-K117 PolarHBondContact O-N 3.43Å
115G76.3Confident66.7Low62 Ų6281.6 Ų81.664%0.63940%0.401SS*.THydrogen-bonded Turntrans64.5-135.1-169.300000111.5R113 K117R113-G115 WeakPolarHBondContact CG-O 3.29Å; G115-K117 VanDerWaalsContact C-N 3.3Å
116S74.6Confident66.9Low125 Ų12582.3 Ų82.387%0.87440%0.404SS*.THydrogen-bonded Turntrans-77.9-10.8175.551.40000114
117K69.4Low66.8Low116 Ų11687.3 Ų87.350%0.50442%0.42SS..EExtended strand (participates in β ladder)trans-100134.6-175.6-74-174.6168.9-167.50112.6R114 G115 H119 E147R114-K117 PolarHBondContact N-O 3.09Å; R114-K117 PolarHBondContact O-N 3.43Å; G115-K117 VanDerWaalsContact C-N 3.3Å; K117-H119 PolarHBondContact O-ND1 3.24Å; K117-E147 IonicContact NZ-OE1 3.02Å; K117-E147 PolarHBondContact NZ-OE1 2.79Å
118S66.1Low66.9Low73 Ų7388.7 Ų88.751%0.5143%0.431SS..EExtended strand (participates in β ladder)trans-88.9132.5168.380.90000110.1
119H66Low67.1Low38 Ų3886 Ų8618%0.17643%0.427CS..EExtended strand (participates in β ladder)trans-117.7146.2-179.9-60.973.6000109K111 R112 K117K111-H119 CarbonylContact C-O 3.56Å; K111-H119 WeakPolarHBondContact CA-O 3.32Å; R112-H119 PolarHBondContact N-O 2.94Å; R112-H119 PolarHBondContact O-N 3.08Å; K117-H119 PolarHBondContact O-ND1 3.24Å
120V63.7Low67.1Low29 Ų2989.1 Ų89.118%0.17643%0.433CS..EExtended strand (participates in β ladder)trans-86.2120169.41750000107.5L109 G110 G146 A148L109-V120 HydrophobicContact CD2-CG1 4.2Å; G110-V120 WeakPolarHBondContact O-CA 3.28Å; V120-G146 PolarHBondContact N-O 2.82Å; V120-G146 PolarHBondContact O-N 2.85Å; V120-G146 VanDerWaalsContact O-N 3.11Å; V120-A148 HydrophobicContact CG2-CB 3.77Å
121R66.3Low67.1Low86 Ų8689.3 Ų89.333%0.32543%0.426SS..EExtended strand (participates in β ladder)trans-95.3121.6169.1180-179.2-180-157.85.1107.1G110 E143 Y145G110-R121 PolarHBondContact N-O 3.03Å; G110-R121 PolarHBondContact O-N 3.14Å; R121-E143 IonicContact CZ-OE1 3.46Å; R121-E143 IonicContact CZ-OE2 2.86Å; R121-E143 VanDerWaalsContact CZ-OE2 3.31Å; R121-E143 IonicContact NE-OE1 3.6Å; R121-E143 IonicContact NE-OE2 2.61Å; R121-E143 PolarHBondContact NE-OE2 2.7Å; R121-E143 IonicContact NH2-OE1 3.01Å; R121-E143 PolarHBondContact NH2-OE1 3.08Å; R121-E143 IonicContact NH2-OE2 3.31Å; R121-E143 PolarHBondContact NH2-OE2 2.65Å; R121-Y145 HydrophobicContact CB-CD1 4.26Å; R121-Y145 HydrophobicContact CB-CE1 4.1Å; R121-Y145 HydrophobicContact CG-CD1 4.27Å; R121-Y145 HydrophobicContact CG-CE1 3.77Å; R121-Y145 PolarHBondContact NE-OH 2.95Å
122T65.1Low66.9Low3 Ų391.2 Ų91.22%0.01843%0.43CS..EExtended strand (participates in β ladder)trans-111.1107.8172.2-51.50000107.7T107 F108 L109 F124 S144 F151T107-T122 HydrophobicContact CG2-CG2 3.51Å; F108-T122 CarbonylContact O-C 3.59Å; F108-T122 WeakPolarHBondContact O-CA 3.45Å; L109-T122 HydrophobicContact CD2-CG2 3.71Å; L109-T122 VanDerWaalsContact CD2-OG1 3.25Å; L109-T122 WeakPolarHBondContact CD2-OG1 3.42Å; T122-F124 HydrophobicContact CG2-CD1 4.27Å; T122-F124 HydrophobicContact CG2-CD2 4.06Å; T122-F124 HydrophobicContact CG2-CE1 3.69Å; T122-F124 HydrophobicContact CG2-CE2 3.47Å; T122-F124 VanDerWaalsContact CG2-CE2 3.47Å; T122-F124 HydrophobicContact CG2-CG 4.48Å; T122-F124 HydrophobicContact CG2-CZ 3.28Å; T122-S144 WeakPolarHBondContact CB-OG 3.1Å; T122-S144 PolarHBondContact N-O 2.98Å; T122-S144 PolarHBondContact O-N 3.03Å; T122-S144 PolarHBondContact O-OG 3.06Å; T122-F151 HydrophobicContact CG2-CZ 4.02Å; T122-F151 WeakPolarHBondContact OG1-CE2 3.32Å; T122-F151 WeakPolarHBondContact OG1-CZ 3.37Å
123T63.6Low67.6Low23 Ų2391 Ų9114%0.14144%0.439CS..EExtended strand (participates in β ladder)trans-96.1132.3175.7-61.90000108.5F108 T141 E143F108-T123 PolarHBondContact N-O 3.49Å; F108-T123 PolarHBondContact O-N 3.12Å; T123-T141 HydrophobicContact CG2-CG2 3.69Å; T123-E143 HydrophobicContact CG2-CG 4.13Å
124F67.5Low67.7Low5 Ų583.5 Ų83.52%0.02243%0.426CS..EExtended strand (participates in β ladder)trans-121.9126.2179.5-61.1-84.8000108.2I100 Y105 Q106 T107 T122 T141 F142 S144 I156I100-F124 HydrophobicContact CD1-CB 3.84Å; I100-F124 HydrophobicContact CD1-CD1 3.16Å; I100-F124 HydrophobicContact CD1-CD2 4.28Å; I100-F124 HydrophobicContact CD1-CE1 3.52Å; I100-F124 HydrophobicContact CD1-CG 3.55Å; I100-F124 HydrophobicContact CD1-CZ 4.18Å; I100-F124 HydrophobicContact CG1-CD1 3.54Å; I100-F124 HydrophobicContact CG1-CE1 3.32Å; I100-F124 HydrophobicContact CG1-CG 4.31Å; I100-F124 HydrophobicContact CG1-CZ 3.96Å; Y105-F124 HydrophobicContact CD1-CB 4.32Å; Q106-F124 WeakPolarHBondContact O-CA 3.41Å; T107-F124 HydrophobicContact CG2-CD1 3.64Å; T107-F124 HydrophobicContact CG2-CE1 3.39Å; T107-F124 HydrophobicContact CG2-CZ 4.26Å; T107-F124 WeakPolarHBondContact OG1-CD1 3.29Å; T107-F124 VanDerWaalsContact OG1-CE1 3.32Å; T107-F124 WeakPolarHBondContact OG1-CE1 3.45Å; T122-F124 HydrophobicContact CG2-CD1 4.27Å; T122-F124 HydrophobicContact CG2-CD2 4.06Å; T122-F124 HydrophobicContact CG2-CE1 3.69Å; T122-F124 HydrophobicContact CG2-CE2 3.47Å; T122-F124 VanDerWaalsContact CG2-CE2 3.47Å; T122-F124 HydrophobicContact CG2-CG 4.48Å; T122-F124 HydrophobicContact CG2-CZ 3.28Å; F124-T141 WeakPolarHBondContact O-CA 3.3Å; F124-F142 HydrophobicContact CB-CD1 3.58Å; F124-F142 HydrophobicContact CB-CE1 3Å; F124-F142 HydrophobicContact CB-CE2 4.08Å; F124-F142 HydrophobicContact CB-CG 4.32Å; F124-F142 HydrophobicContact CB-CZ 3.32Å; F124-F142 HydrophobicContact CD1-CZ 4.18Å; F124-F142 HydrophobicContact CD2-CD1 4.43Å; F124-F142 AromaticContact CD2-CD2 3.92Å; F124-F142 HydrophobicContact CD2-CD2 3.92Å; F124-F142 AromaticContact CD2-CE1 3.74Å; F124-F142 HydrophobicContact CD2-CE1 3.74Å; F124-F142 AromaticContact CD2-CE2 3.12Å; F124-F142 HydrophobicContact CD2-CE2 3.12Å; F124-F142 AromaticContact CD2-CZ 3.01Å; F124-F142 HydrophobicContact CD2-CZ 3.01Å; F124-F142 AromaticContact CE2-CE2 3.59Å; F124-F142 HydrophobicContact CE2-CE2 3.59Å; F124-F142 AromaticContact CE2-CZ 3.64Å; F124-F142 HydrophobicContact CE2-CZ 3.64Å; F124-F142 HydrophobicContact CG-CD1 4.42Å; F124-F142 AromaticContact CG-CE1 3.59Å; F124-F142 HydrophobicContact CG-CE1 3.59Å; F124-F142 AromaticContact CG-CE2 3.89Å; F124-F142 HydrophobicContact CG-CE2 3.89Å; F124-F142 AromaticContact CG-CZ 3.28Å; F124-F142 HydrophobicContact CG-CZ 3.28Å; F124-F142 HydrophobicContact CZ-CZ 4.42Å; F124-F142 PolarHBondContact N-O 3.35Å; F124-F142 PolarHBondContact O-N 2.79Å; F124-S144 WeakPolarHBondContact CE2-OG 2.98Å; F124-I156 HydrophobicContact CE2-CD1 3.78Å; F124-I156 HydrophobicContact CE2-CG1 4.24Å; F124-I156 HydrophobicContact CE2-CG2 3.94Å; F124-I156 HydrophobicContact CZ-CD1 3.65Å; F124-I156 HydrophobicContact CZ-CG1 4.49Å; F124-I156 HydrophobicContact CZ-CG2 4.05Å
125R65.2Low67.9Low117 Ų11783.7 Ų83.744%0.44243%0.427SS..EExtended strand (participates in β ladder)trans-132.5121.7-171.7179.7177.6-179.8-169.52.1110.2Q106 F108 S140 T141Q106-R125 PolarHBondContact N-O 2.77Å; Q106-R125 PolarHBondContact O-N 3.49Å; F108-R125 HydrophobicContact CD2-CB 4.43Å; F108-R125 HydrophobicContact CE2-CB 4.02Å; R125-S140 CarbonylContact C-O 3.32Å; R125-S140 WeakPolarHBondContact CA-O 3.41Å; R125-T141 HydrophobicContact CB-CG2 4.4Å
126R69.6Low67.5Low25 Ų2588.3 Ų88.39%0.09443%0.429CS..EExtended strand (participates in β ladder)trans-96.4123.1165.5-164.6166104.8-177.115.7108.1Y105 E137 S139 S140Y105-R126 HydrophobicContact CD1-CB 3.7Å; Y105-R126 HydrophobicContact CD2-CB 4.38Å; Y105-R126 HydrophobicContact CE1-CB 3.53Å; Y105-R126 HydrophobicContact CE2-CB 4.24Å; Y105-R126 HydrophobicContact CG-CB 4.12Å; R126-E137 IonicContact CZ-OE1 3.23Å; R126-E137 IonicContact CZ-OE2 2.79Å; R126-E137 IonicContact NE-OE2 2.65Å; R126-E137 IonicContact NH2-OE1 2.87Å; R126-E137 PolarHBondContact NH2-OE1 2.95Å; R126-E137 IonicContact NH2-OE2 2.7Å; R126-E137 PolarHBondContact NH2-OE2 2.85Å; R126-S139 VanDerWaalsContact O-CA 3.23Å; R126-S139 WeakPolarHBondContact O-CA 3.39Å; R126-S139 WeakPolarHBondContact O-CB 3.47Å; R126-S140 PolarHBondContact N-O 3.01Å; R126-S140 PolarHBondContact O-N 2.91Å; R126-S140 VanDerWaalsContact O-N 3.1Å
127R64.9Low67.1Low167 Ų16784.4 Ų84.463%0.6340%0.397SS*.PPolyproline II helixtrans-71.7146.7174.3-65.7-175.7-178.4-167.5-0.7108.7G129R127-G129 PolarHBondContact O-N 3.08Å
128S66Low66.7Low72 Ų7288.2 Ų88.250%0.50341%0.408SS..PPolyproline II helixtrans-59.5135.717356.30000109E137S128-E137 VanDerWaalsContact CA-O 3.27Å; S128-E137 WeakPolarHBondContact CA-O 3.05Å; S128-E137 WeakPolarHBondContact CB-O 3.5Å
129G69.5Low66.8Low27 Ų2787.1 Ų87.128%0.27840%0.4SS..EExtended strand (participates in β ladder)trans-152.1-156.3-175.500000110.9R127 K136 E137R127-G129 PolarHBondContact O-N 3.08Å; G129-K136 CarbonylContact O-C 3.57Å; G129-K136 WeakPolarHBondContact O-CA 3.47Å; G129-E137 PolarHBondContact N-O 3.43Å; G129-E137 VanDerWaalsContact N-O 3.08Å; G129-E137 PolarHBondContact O-N 3.27Å
130Y66.5Low66.8Low166 Ų16686.6 Ų86.665%0.65140%0.401SS*.EExtended strand (participates in β ladder)trans-124.4138.3172.2-65-83.5000108.6G134 R135 K136Y130-G134 WeakPolarHBondContact CD1-O 3.35Å; Y130-R135 VanDerWaalsContact CA-O 3.29Å; Y130-R135 WeakPolarHBondContact CA-O 3.27Å; Y130-K136 HydrophobicContact CD1-CB 4.25Å; Y130-K136 HydrophobicContact CE1-CB 3.93Å; Y130-K136 HydrophobicContact CE1-CG 4.4Å
131D67.1Low66.8Low39 Ų3987.6 Ų87.621%0.20941%0.407CS..  trans-71.4174.7170.669.64.7000110.1N133 G134 R135 E137D131-N133 PolarHBondContact O-N 2.93Å; D131-N133 VanDerWaalsContact OD1-CA 3.26Å; D131-N133 WeakPolarHBondContact OD1-CA 3.44Å; D131-N133 WeakPolarHBondContact OD1-CB 3.3Å; D131-N133 PolarHBondContact OD1-N 3Å; D131-G134 PolarHBondContact O-N 2.78Å; D131-G134 PolarHBondContact OD1-N 3.06Å; D131-R135 PolarHBondContact N-O 3.44Å; D131-R135 WeakPolarHBondContact OD1-CA 3.37Å; D131-R135 WeakPolarHBondContact OD1-CB 3.46Å; D131-R135 PolarHBondContact OD1-N 3.44Å; D131-E137 HydrophobicContact CB-CG 3.82Å
132Y64.4Low66.6Low224 Ų22483.8 Ų83.888%0.87839%0.393SS*.THydrogen-bonded Turntrans-59.6-17.3175.3-67.5-79.9000113.3
133N76.1Confident66.5Low129 Ų12985.7 Ų85.769%0.6940%0.402SS*.THydrogen-bonded Turntrans-93.87.7177.4-55.9-41.6000112.4D131 R135D131-N133 PolarHBondContact O-N 2.93Å; D131-N133 VanDerWaalsContact OD1-CA 3.26Å; D131-N133 WeakPolarHBondContact OD1-CA 3.44Å; D131-N133 WeakPolarHBondContact OD1-CB 3.3Å; D131-N133 PolarHBondContact OD1-N 3Å; N133-R135 HydrophobicContact CB-CG 4.34Å; N133-R135 PolarHBondContact O-N 3.01Å
134G66.8Low66.4Low49 Ų4985.5 Ų85.551%0.50540%0.402SS..SBendtrans70.410.9-178.800000114.2Y130 D131Y130-G134 WeakPolarHBondContact CD1-O 3.35Å; D131-G134 PolarHBondContact O-N 2.78Å; D131-G134 PolarHBondContact OD1-N 3.06Å
135R71Confident66.1Low183 Ų18388.5 Ų88.569%0.69141%0.413SS*.  trans-80.3134.6175.5-58.9-179.1174.3-175.3-0.9109.1Y130 D131 N133 E137Y130-R135 VanDerWaalsContact CA-O 3.29Å; Y130-R135 WeakPolarHBondContact CA-O 3.27Å; D131-R135 PolarHBondContact N-O 3.44Å; D131-R135 WeakPolarHBondContact OD1-CA 3.37Å; D131-R135 WeakPolarHBondContact OD1-CB 3.46Å; D131-R135 PolarHBondContact OD1-N 3.44Å; N133-R135 HydrophobicContact CB-CG 4.34Å; N133-R135 PolarHBondContact O-N 3.01Å; R135-E137 PolarHBondContact O-N 3.02Å
136K68.7Low65.9Low159 Ų15983.5 Ų83.569%0.69140%0.398SS*.EExtended strand (participates in β ladder)trans-62.9111.7177.8-174.1177-179.2177.60109.8G129 Y130G129-K136 CarbonylContact O-C 3.57Å; G129-K136 WeakPolarHBondContact O-CA 3.47Å; Y130-K136 HydrophobicContact CD1-CB 4.25Å; Y130-K136 HydrophobicContact CE1-CB 3.93Å; Y130-K136 HydrophobicContact CE1-CG 4.4Å
137E65.6Low65.3Low43 Ų4386.3 Ų86.320%0.20141%0.412CS..EExtended strand (participates in β ladder)trans-82.6130.5170.5-67.4-163.613800110R126 S128 G129 D131 R135R126-E137 IonicContact CZ-OE1 3.23Å; R126-E137 IonicContact CZ-OE2 2.79Å; R126-E137 IonicContact NE-OE2 2.65Å; R126-E137 IonicContact NH2-OE1 2.87Å; R126-E137 PolarHBondContact NH2-OE1 2.95Å; R126-E137 IonicContact NH2-OE2 2.7Å; R126-E137 PolarHBondContact NH2-OE2 2.85Å; S128-E137 VanDerWaalsContact CA-O 3.27Å; S128-E137 WeakPolarHBondContact CA-O 3.05Å; S128-E137 WeakPolarHBondContact CB-O 3.5Å; G129-E137 PolarHBondContact N-O 3.43Å; G129-E137 VanDerWaalsContact N-O 3.08Å; G129-E137 PolarHBondContact O-N 3.27Å; D131-E137 HydrophobicContact CB-CG 3.82Å; R135-E137 PolarHBondContact O-N 3.02Å
138R61.5Low64.7Low195 Ų19580.6 Ų80.674%0.73640%0.401SS*.PPolyproline II helixtrans-71.9146177.5-67.7-178173.7132.2-1110.2
139S68.2Low63.9Low50 Ų5085.1 Ų85.135%0.3542%0.419SS..PPolyproline II helixtrans-63.9139.8166.643.50000109.4R126R126-S139 VanDerWaalsContact O-CA 3.23Å; R126-S139 WeakPolarHBondContact O-CA 3.39Å; R126-S139 WeakPolarHBondContact O-CB 3.47Å
140S65.2Low62.9Low28 Ų2886.7 Ų86.720%0.19643%0.426CS..EExtended strand (participates in β ladder)trans-132.3138.5172.356.10000109.7Y105 R125 R126Y105-S140 WeakPolarHBondContact CE1-OG 3.49Å; Y105-S140 PolarHBondContact OH-OG 3.25Å; R125-S140 CarbonylContact C-O 3.32Å; R125-S140 WeakPolarHBondContact CA-O 3.41Å; R126-S140 PolarHBondContact N-O 3.01Å; R126-S140 PolarHBondContact O-N 2.91Å; R126-S140 VanDerWaalsContact O-N 3.1Å
141T64.6Low62.3Low49 Ų4981.3 Ų81.330%0.30141%0.406SS..EExtended strand (participates in β ladder)trans-129.7132.1175.9-540000108.4T123 F124 R125T123-T141 HydrophobicContact CG2-CG2 3.69Å; F124-T141 WeakPolarHBondContact O-CA 3.3Å; R125-T141 HydrophobicContact CB-CG2 4.4Å
142F62.7Low61.7Low6 Ų682.9 Ų82.93%0.02642%0.415CS..EExtended strand (participates in β ladder)trans-137.8158171.478.3-82.9000110.2I100 Y105 F124 I156 F160 I166 I179I100-F142 HydrophobicContact CD1-CE1 3.73Å; I100-F142 HydrophobicContact CD1-CZ 3.53Å; Y105-F142 HydrophobicContact CD1-CD1 4.44Å; Y105-F142 HydrophobicContact CD1-CE1 4.06Å; Y105-F142 HydrophobicContact CE1-CD1 4.21Å; Y105-F142 HydrophobicContact CE1-CE1 4.15Å; F124-F142 HydrophobicContact CB-CD1 3.58Å; F124-F142 HydrophobicContact CB-CE1 3Å; F124-F142 HydrophobicContact CB-CE2 4.08Å; F124-F142 HydrophobicContact CB-CG 4.32Å; F124-F142 HydrophobicContact CB-CZ 3.32Å; F124-F142 HydrophobicContact CD1-CZ 4.18Å; F124-F142 HydrophobicContact CD2-CD1 4.43Å; F124-F142 AromaticContact CD2-CD2 3.92Å; F124-F142 HydrophobicContact CD2-CD2 3.92Å; F124-F142 AromaticContact CD2-CE1 3.74Å; F124-F142 HydrophobicContact CD2-CE1 3.74Å; F124-F142 AromaticContact CD2-CE2 3.12Å; F124-F142 HydrophobicContact CD2-CE2 3.12Å; F124-F142 AromaticContact CD2-CZ 3.01Å; F124-F142 HydrophobicContact CD2-CZ 3.01Å; F124-F142 AromaticContact CE2-CE2 3.59Å; F124-F142 HydrophobicContact CE2-CE2 3.59Å; F124-F142 AromaticContact CE2-CZ 3.64Å; F124-F142 HydrophobicContact CE2-CZ 3.64Å; F124-F142 HydrophobicContact CG-CD1 4.42Å; F124-F142 AromaticContact CG-CE1 3.59Å; F124-F142 HydrophobicContact CG-CE1 3.59Å; F124-F142 AromaticContact CG-CE2 3.89Å; F124-F142 HydrophobicContact CG-CE2 3.89Å; F124-F142 AromaticContact CG-CZ 3.28Å; F124-F142 HydrophobicContact CG-CZ 3.28Å; F124-F142 HydrophobicContact CZ-CZ 4.42Å; F124-F142 PolarHBondContact N-O 3.35Å; F124-F142 PolarHBondContact O-N 2.79Å; F142-I156 HydrophobicContact CE2-CG2 3.94Å; F142-I156 HydrophobicContact CZ-CG2 4.01Å; F142-F160 HydrophobicContact CD1-CE1 4.14Å; F142-F160 HydrophobicContact CD1-CE2 4.19Å; F142-F160 AromaticContact CD1-CZ 3.36Å; F142-F160 HydrophobicContact CD1-CZ 3.36Å; F142-F160 HydrophobicContact CD2-CE2 4.24Å; F142-F160 HydrophobicContact CD2-CZ 4.09Å; F142-F160 AromaticContact CE1-CE1 3.65Å; F142-F160 HydrophobicContact CE1-CE1 3.65Å; F142-F160 AromaticContact CE1-CE2 3.41Å; F142-F160 HydrophobicContact CE1-CE2 3.41Å; F142-F160 VanDerWaalsContact CE1-CE2 3.41Å; F142-F160 AromaticContact CE1-CZ 2.82Å; F142-F160 HydrophobicContact CE1-CZ 2.82Å; F142-F160 AromaticContact CE2-CE2 3.48Å; F142-F160 HydrophobicContact CE2-CE2 3.48Å; F142-F160 VanDerWaalsContact CE2-CE2 3.48Å; F142-F160 AromaticContact CE2-CZ 3.67Å; F142-F160 HydrophobicContact CE2-CZ 3.67Å; F142-F160 AromaticContact CG-CZ 3.94Å; F142-F160 HydrophobicContact CG-CZ 3.94Å; F142-F160 HydrophobicContact CZ-CD2 4.2Å; F142-F160 HydrophobicContact CZ-CE1 4.14Å; F142-F160 AromaticContact CZ-CE2 2.98Å; F142-F160 HydrophobicContact CZ-CE2 2.98Å; F142-F160 AromaticContact CZ-CZ 3.01Å; F142-F160 HydrophobicContact CZ-CZ 3.01Å; F142-I166 HydrophobicContact CB-CD1 4.17Å; F142-I166 HydrophobicContact CD1-CD1 4.12Å; F142-I166 HydrophobicContact CG-CD1 4.47Å; F142-I179 HydrophobicContact CB-CG1 4.31Å
143E61.9Low60.9Low43 Ų4379.2 Ų79.220%0.20140%0.399CS..EExtended strand (participates in β ladder)trans-130.6131.4-173.1-59.8-176.9-17900110.1R121 T123 Y145R121-E143 IonicContact CZ-OE1 3.46Å; R121-E143 IonicContact CZ-OE2 2.86Å; R121-E143 VanDerWaalsContact CZ-OE2 3.31Å; R121-E143 IonicContact NE-OE1 3.6Å; R121-E143 IonicContact NE-OE2 2.61Å; R121-E143 PolarHBondContact NE-OE2 2.7Å; R121-E143 IonicContact NH2-OE1 3.01Å; R121-E143 PolarHBondContact NH2-OE1 3.08Å; R121-E143 IonicContact NH2-OE2 3.31Å; R121-E143 PolarHBondContact NH2-OE2 2.65Å; T123-E143 HydrophobicContact CG2-CG 4.13Å; E143-Y145 HydrophobicContact CB-CE2 3.84Å; E143-Y145 PolarHBondContact OE2-OH 2.68Å
144S62.5Low59.8Low20 Ų2079.9 Ų79.914%0.1440%0.396CS..EExtended strand (participates in β ladder)trans-113142.3170.363.90000109.5T122 F124 F151T122-S144 WeakPolarHBondContact CB-OG 3.1Å; T122-S144 PolarHBondContact N-O 2.98Å; T122-S144 PolarHBondContact O-N 3.03Å; T122-S144 PolarHBondContact O-OG 3.06Å; F124-S144 WeakPolarHBondContact CE2-OG 2.98Å; S144-F151 WeakPolarHBondContact OG-CE2 3.22Å; S144-F151 WeakPolarHBondContact OG-CZ 3.41Å
145Y61.1Low59.2Low68 Ų6884.4 Ų84.427%0.26740%0.402SS..EExtended strand (participates in β ladder)trans-120.7124.5179.9-65.3-91.6000107.5R112 R121 E143R112-Y145 PolarHBondContact NH1-OH 3.1Å; R121-Y145 HydrophobicContact CB-CD1 4.26Å; R121-Y145 HydrophobicContact CB-CE1 4.1Å; R121-Y145 HydrophobicContact CG-CD1 4.27Å; R121-Y145 HydrophobicContact CG-CE1 3.77Å; R121-Y145 PolarHBondContact NE-OH 2.95Å; E143-Y145 HydrophobicContact CB-CE2 3.84Å; E143-Y145 PolarHBondContact OE2-OH 2.68Å
146G59.9Low58.4Low12 Ų1276.4 Ų76.412%0.12437%0.372CS..EExtended strand (participates in β ladder)trans-130.9157.3170.300000110.4V120V120-G146 PolarHBondContact N-O 2.82Å; V120-G146 PolarHBondContact O-N 2.85Å; V120-G146 VanDerWaalsContact O-N 3.11Å
147E56.8Low57.5Low84 Ų8475.8 Ų75.839%0.39337%0.366SS..EExtended strand (participates in β ladder)trans-64.3149.1161.6-53-179.8132.600107.7K117 D149 S150 F151K117-E147 IonicContact NZ-OE1 3.02Å; K117-E147 PolarHBondContact NZ-OE1 2.79Å; E147-D149 PolarHBondContact O-N 2.89Å; E147-D149 VanDerWaalsContact O-N 3.1Å; E147-S150 WeakPolarHBondContact CB-OG 3.46Å; E147-S150 CarbonylContact O-C 3.56Å; E147-S150 PolarHBondContact O-N 2.74Å; E147-S150 PolarHBondContact OE2-OG 3.04Å; E147-F151 PolarHBondContact O-N 3.22Å
148A52.7Low56.8Low47 Ų4778.4 Ų78.439%0.38838%0.381SS..THydrogen-bonded Turntrans-55.7-33.9-172.600000112.8V120V120-A148 HydrophobicContact CG2-CB 3.77Å
149D50.3Low56.5Low166 Ų16671.1 Ų71.189%0.88836%0.358SS*.THydrogen-bonded Turntrans-92.5-14.8-176.8-52-33.5000112.9E147E147-D149 PolarHBondContact O-N 2.89Å; E147-D149 VanDerWaalsContact O-N 3.1Å
150S48.5Very low55.7Low61 Ų6169.7 Ų69.743%0.42735%0.346SS..  trans-125.230.6-172.673.80000113.3E147 D152E147-S150 WeakPolarHBondContact CB-OG 3.46Å; E147-S150 CarbonylContact O-C 3.56Å; E147-S150 PolarHBondContact O-N 2.74Å; E147-S150 PolarHBondContact OE2-OG 3.04Å; S150-D152 PolarHBondContact O-N 3.23Å
151F52.7Low55.2Low52 Ų5271.3 Ų71.323%0.22835%0.352CS..  trans-64.384.9174.6-170.1-101.1000110.7T122 S144 E147 R153 I156T122-F151 HydrophobicContact CG2-CZ 4.02Å; T122-F151 WeakPolarHBondContact OG1-CE2 3.32Å; T122-F151 WeakPolarHBondContact OG1-CZ 3.37Å; S144-F151 WeakPolarHBondContact OG-CE2 3.22Å; S144-F151 WeakPolarHBondContact OG-CZ 3.41Å; E147-F151 PolarHBondContact O-N 3.22Å; F151-R153 HydrophobicContact CD1-CG 3.86Å; F151-R153 HydrophobicContact CE1-CG 4.1Å; F151-R153 PolarHBondContact O-N 3.27Å; F151-I156 HydrophobicContact CE1-CD1 3.4Å; F151-I156 HydrophobicContact CE2-CD1 4.17Å; F151-I156 HydrophobicContact CZ-CD1 3.17Å; F151-I156 HydrophobicContact CZ-CG1 4.3Å
152D53.9Low54.5Low73 Ų7376.2 Ų76.239%0.3938%0.382SS..  trans-73.194-179.7-1776.3000109.1S150 K154 K155S150-D152 PolarHBondContact O-N 3.23Å; D152-K154 PolarHBondContact O-N 3.21Å; D152-K154 VanDerWaalsContact O-N 3.08Å; D152-K154 VanDerWaalsContact OD1-CB 3.3Å; D152-K154 WeakPolarHBondContact OD1-CB 3.33Å; D152-K154 PolarHBondContact OD1-N 3.34Å; D152-K154 VanDerWaalsContact OD1-N 3.12Å; D152-K155 HydrophobicContact CB-CD 4.22Å; D152-K155 HydrophobicContact CB-CG 4.24Å; D152-K155 WeakPolarHBondContact O-CB 3.23Å; D152-K155 PolarHBondContact O-N 3.29Å
153R48.1Very low53.8Low146 Ų14681.7 Ų81.755%0.55141%0.411SS*.THydrogen-bonded Turntrans-58.3-20.5-179.9-57.1-178.2-163.5-135.15.4112.3D99 F151 K155 I156D99-R153 IonicContact OD2-NH1 3.4Å; D99-R153 PolarHBondContact OD2-NH1 2.94Å; F151-R153 HydrophobicContact CD1-CG 3.86Å; F151-R153 HydrophobicContact CE1-CG 4.1Å; F151-R153 PolarHBondContact O-N 3.27Å; R153-K155 VanDerWaalsContact C-N 3.31Å; R153-K155 PolarHBondContact O-N 3.02Å; R153-I156 PolarHBondContact O-N 2.82Å
154K52.9Low53.2Low143 Ų14379.7 Ų79.762%0.62240%0.402SS*.Hα-helixtrans-64.7-36.4176.3-65.3-176.5176.5-178.20111.4D152 I156 R157 D158D152-K154 PolarHBondContact O-N 3.21Å; D152-K154 VanDerWaalsContact O-N 3.08Å; D152-K154 VanDerWaalsContact OD1-CB 3.3Å; D152-K154 WeakPolarHBondContact OD1-CB 3.33Å; D152-K154 PolarHBondContact OD1-N 3.34Å; D152-K154 VanDerWaalsContact OD1-N 3.12Å; K154-I156 PolarHBondContact O-N 3.06Å; K154-I156 VanDerWaalsContact O-N 3.14Å; K154-R157 WeakPolarHBondContact O-CB 3.41Å; K154-R157 PolarHBondContact O-N 3.11Å; K154-D158 PolarHBondContact O-N 3.1Å
155K55.4Low52.7Low145 Ų14584.1 Ų84.163%0.6342%0.417SS*.Hα-helixtrans-62.1-24.4178.9-65-178.8-177.7173.10113.7D152 R153D152-K155 HydrophobicContact CB-CD 4.22Å; D152-K155 HydrophobicContact CB-CG 4.24Å; D152-K155 WeakPolarHBondContact O-CB 3.23Å; D152-K155 PolarHBondContact O-N 3.29Å; R153-K155 VanDerWaalsContact C-N 3.31Å; R153-K155 PolarHBondContact O-N 3.02Å
156I53.7Low52.3Low14 Ų1482.2 Ų82.27%0.07241%0.411CS..Hα-helixtrans-78.3-39.5176-61.1163.2000110.5F124 F142 F151 R153 K154 D158 V159 F160F124-I156 HydrophobicContact CE2-CD1 3.78Å; F124-I156 HydrophobicContact CE2-CG1 4.24Å; F124-I156 HydrophobicContact CE2-CG2 3.94Å; F124-I156 HydrophobicContact CZ-CD1 3.65Å; F124-I156 HydrophobicContact CZ-CG1 4.49Å; F124-I156 HydrophobicContact CZ-CG2 4.05Å; F142-I156 HydrophobicContact CE2-CG2 3.94Å; F142-I156 HydrophobicContact CZ-CG2 4.01Å; F151-I156 HydrophobicContact CE1-CD1 3.4Å; F151-I156 HydrophobicContact CE2-CD1 4.17Å; F151-I156 HydrophobicContact CZ-CD1 3.17Å; F151-I156 HydrophobicContact CZ-CG1 4.3Å; R153-I156 PolarHBondContact O-N 2.82Å; K154-I156 PolarHBondContact O-N 3.06Å; K154-I156 VanDerWaalsContact O-N 3.14Å; I156-D158 PolarHBondContact O-N 2.8Å; I156-V159 WeakPolarHBondContact O-CB 3.25Å; I156-V159 PolarHBondContact O-N 2.82Å; I156-F160 HydrophobicContact CG2-CD2 4.21Å; I156-F160 HydrophobicContact CG2-CE2 3.99Å; I156-F160 VanDerWaalsContact O-CD2 3.29Å; I156-F160 WeakPolarHBondContact O-CD2 3.47Å
157R49.5Very low51.8Low147 Ų14783.7 Ų83.756%0.55542%0.419SS*.Hα-helixtrans-57.3-38-179.5-60.9-177.1-166.6-169.71.6111.1K154 V159 F160K154-R157 WeakPolarHBondContact O-CB 3.41Å; K154-R157 PolarHBondContact O-N 3.11Å; R157-V159 PolarHBondContact O-N 2.89Å; R157-V159 VanDerWaalsContact O-N 3.09Å; R157-F160 PolarHBondContact O-N 2.87Å; R157-F160 VanDerWaalsContact O-N 3.08Å
158D51.4Low51.2Low98 Ų9886.2 Ų86.252%0.52443%0.431SS..THydrogen-bonded Turntrans-64-11.7178.8-76.23000115.4K154 I156 R170K154-D158 PolarHBondContact O-N 3.1Å; I156-D158 PolarHBondContact O-N 2.8Å; D158-R170 PolarHBondContact O-NH1 2.87Å
159V54Low50.5Low41 Ų4187.3 Ų87.325%0.24845%0.447CS..THydrogen-bonded Turntrans-91.9-24.5177-177.80000111.5I156 R157 I166 S167I156-V159 WeakPolarHBondContact O-CB 3.25Å; I156-V159 PolarHBondContact O-N 2.82Å; R157-V159 PolarHBondContact O-N 2.89Å; R157-V159 VanDerWaalsContact O-N 3.09Å; V159-I166 HydrophobicContact CG1-CG2 4.02Å; V159-I166 WeakPolarHBondContact O-CA 3.36Å; V159-S167 PolarHBondContact O-N 2.72Å; V159-S167 PolarHBondContact O-OG 2.84Å
160F52.6Low50Low21 Ų2187.2 Ų87.29%0.09243%0.434CS..BIsolated β-bridgetrans-100.5136-178.7-66.6-77.2000110.4I100 T102 Y105 F142 I156 R157 G164 Y165 I166I100-F160 HydrophobicContact CD1-CE2 4.45Å; I100-F160 HydrophobicContact CG2-CD2 4.04Å; I100-F160 HydrophobicContact CG2-CG 4.23Å; T102-F160 HydrophobicContact CG2-CB 4.06Å; T102-F160 HydrophobicContact CG2-CD1 4.21Å; T102-F160 HydrophobicContact CG2-CG 4.14Å; Y105-F160 HydrophobicContact CE1-CE1 4.37Å; Y105-F160 HydrophobicContact CE2-CD1 4.48Å; Y105-F160 HydrophobicContact CE2-CE1 4.11Å; Y105-F160 AromaticContact CZ-CE1 3.93Å; F142-F160 HydrophobicContact CD1-CE1 4.14Å; F142-F160 HydrophobicContact CD1-CE2 4.19Å; F142-F160 AromaticContact CD1-CZ 3.36Å; F142-F160 HydrophobicContact CD1-CZ 3.36Å; F142-F160 HydrophobicContact CD2-CE2 4.24Å; F142-F160 HydrophobicContact CD2-CZ 4.09Å; F142-F160 AromaticContact CE1-CE1 3.65Å; F142-F160 HydrophobicContact CE1-CE1 3.65Å; F142-F160 AromaticContact CE1-CE2 3.41Å; F142-F160 HydrophobicContact CE1-CE2 3.41Å; F142-F160 VanDerWaalsContact CE1-CE2 3.41Å; F142-F160 AromaticContact CE1-CZ 2.82Å; F142-F160 HydrophobicContact CE1-CZ 2.82Å; F142-F160 AromaticContact CE2-CE2 3.48Å; F142-F160 HydrophobicContact CE2-CE2 3.48Å; F142-F160 VanDerWaalsContact CE2-CE2 3.48Å; F142-F160 AromaticContact CE2-CZ 3.67Å; F142-F160 HydrophobicContact CE2-CZ 3.67Å; F142-F160 AromaticContact CG-CZ 3.94Å; F142-F160 HydrophobicContact CG-CZ 3.94Å; F142-F160 HydrophobicContact CZ-CD2 4.2Å; F142-F160 HydrophobicContact CZ-CE1 4.14Å; F142-F160 AromaticContact CZ-CE2 2.98Å; F142-F160 HydrophobicContact CZ-CE2 2.98Å; F142-F160 AromaticContact CZ-CZ 3.01Å; F142-F160 HydrophobicContact CZ-CZ 3.01Å; I156-F160 HydrophobicContact CG2-CD2 4.21Å; I156-F160 HydrophobicContact CG2-CE2 3.99Å; I156-F160 VanDerWaalsContact O-CD2 3.29Å; I156-F160 WeakPolarHBondContact O-CD2 3.47Å; R157-F160 PolarHBondContact O-N 2.87Å; R157-F160 VanDerWaalsContact O-N 3.08Å; F160-G164 WeakPolarHBondContact CD1-O 3.18Å; F160-Y165 WeakPolarHBondContact CA-O 3.42Å; F160-I166 HydrophobicContact CD1-CG1 4.45Å; F160-I166 HydrophobicContact CE1-CG1 3.52Å; F160-I166 HydrophobicContact CZ-CG1 3.87Å
161D54.9Low49.5Very low62 Ų6293.9 Ų93.933%0.33246%0.455SS..  trans-69.9172.3159.671.810.8000110.6N163 G164 Y165D161-N163 PolarHBondContact O-N 3.15Å; D161-N163 VanDerWaalsContact O-N 3.09Å; D161-N163 VanDerWaalsContact OD1-C 3.26Å; D161-N163 WeakPolarHBondContact OD1-CA 3.49Å; D161-N163 WeakPolarHBondContact OD1-CB 3.37Å; D161-N163 PolarHBondContact OD1-N 3.24Å; D161-G164 PolarHBondContact O-N 2.85Å; D161-G164 PolarHBondContact OD1-N 3.17Å; D161-Y165 PolarHBondContact N-O 2.83Å; D161-Y165 PolarHBondContact OD1-N 3.19Å; D161-Y165 WeakPolarHBondContact OD2-CB 3.2Å
162V49.7Very low48.7Very low151 Ų15199.4 Ų99.492%0.91548%0.475SS*.THydrogen-bonded Turntrans-57.3-26178.9-1780000111.9
163N46.9Very low47.9Very low122 Ų12299.8 Ų99.865%0.65248%0.483SS*.THydrogen-bonded Turntrans-88.6-8.2179.9-60.5-38000112.9D161 Y165D161-N163 PolarHBondContact O-N 3.15Å; D161-N163 VanDerWaalsContact O-N 3.09Å; D161-N163 VanDerWaalsContact OD1-C 3.26Å; D161-N163 WeakPolarHBondContact OD1-CA 3.49Å; D161-N163 WeakPolarHBondContact OD1-CB 3.37Å; D161-N163 PolarHBondContact OD1-N 3.24Å; N163-Y165 HydrophobicContact CB-CD2 3.67Å; N163-Y165 HydrophobicContact CB-CE2 3.74Å
164G49.6Very low47.4Very low1 Ų1102.5 Ų102.51%0.0150%0.499CS..  trans81.318.3-178.100000116.8T102 Y105 F160 D161T102-G164 VanDerWaalsContact CB-CA 3.47Å; Y105-G164 VanDerWaalsContact CE2-O 3.3Å; Y105-G164 WeakPolarHBondContact CE2-O 3.43Å; Y105-G164 PolarHBondContact OH-O 2.94Å; F160-G164 WeakPolarHBondContact CD1-O 3.18Å; D161-G164 PolarHBondContact O-N 2.85Å; D161-G164 PolarHBondContact OD1-N 3.17Å
165Y52.4Low46.6Very low113 Ų113104.4 Ų104.444%0.44351%0.507SS..  trans-78.3139163.7-58.6-75.7000109.4F160 D161 N163 S167F160-Y165 WeakPolarHBondContact CA-O 3.42Å; D161-Y165 PolarHBondContact N-O 2.83Å; D161-Y165 PolarHBondContact OD1-N 3.19Å; D161-Y165 WeakPolarHBondContact OD2-CB 3.2Å; N163-Y165 HydrophobicContact CB-CD2 3.67Å; N163-Y165 HydrophobicContact CB-CE2 3.74Å; Y165-S167 PolarHBondContact O-N 3.14Å
166I51.7Low45.6Very low27 Ų2798.4 Ų98.414%0.13849%0.487CS..BIsolated β-bridgetrans-64.7121.1170.2-60.4172.5000106F142 V159 F160 E168F142-I166 HydrophobicContact CB-CD1 4.17Å; F142-I166 HydrophobicContact CD1-CD1 4.12Å; F142-I166 HydrophobicContact CG-CD1 4.47Å; V159-I166 HydrophobicContact CG1-CG2 4.02Å; V159-I166 WeakPolarHBondContact O-CA 3.36Å; F160-I166 HydrophobicContact CD1-CG1 4.45Å; F160-I166 HydrophobicContact CE1-CG1 3.52Å; F160-I166 HydrophobicContact CZ-CG1 3.87Å; I166-E168 PolarHBondContact O-N 2.74Å
167S50.2Low44.7Very low43 Ų4398.8 Ų98.830%0.30149%0.494SS..  trans-63.5100.7175.164.70000108.4V159 Y165 G169 R170V159-S167 PolarHBondContact O-N 2.72Å; V159-S167 PolarHBondContact O-OG 2.84Å; Y165-S167 PolarHBondContact O-N 3.14Å; S167-G169 PolarHBondContact O-N 2.92Å; S167-R170 PolarHBondContact O-N 3.28Å
168E44.4Very low44.1Very low137 Ų137100.3 Ų100.364%0.6450%0.501SS*.THydrogen-bonded Turntrans-55-22.1-175.5-65.3-174.6163.600112.9I166 R183I166-E168 PolarHBondContact O-N 2.74Å; E168-R183 VanDerWaalsContact CG-NH2 3.32Å; E168-R183 IonicContact OE1-CZ 3.57Å; E168-R183 IonicContact OE1-NH1 3.46Å; E168-R183 PolarHBondContact OE1-NH1 3.45Å; E168-R183 IonicContact OE1-NH2 2.93Å; E168-R183 PolarHBondContact OE1-NH2 3.31Å; E168-R183 IonicContact OE2-CZ 2.71Å; E168-R183 VanDerWaalsContact OE2-CZ 3.23Å; E168-R183 IonicContact OE2-NH1 3.03Å; E168-R183 PolarHBondContact OE2-NH1 2.78Å; E168-R183 IonicContact OE2-NH2 2.92Å; E168-R183 PolarHBondContact OE2-NH2 3.23Å
169G38.1Very low43.4Very low70 Ų7099 Ų9972%0.72249%0.494SS*.THydrogen-bonded Turntrans-83-14.5-17500000116.7S167 K171S167-G169 PolarHBondContact O-N 2.92Å; G169-K171 PolarHBondContact O-N 2.95Å
170R39.9Very low42.7Very low165 Ų165104.7 Ų104.762%0.62352%0.517SS*.  trans-8590.4-176.9-91.3-176.2162.7179.6-5.9111.3D158 S167 R172D158-R170 PolarHBondContact O-NH1 2.87Å; S167-R170 PolarHBondContact O-N 3.28Å; R170-R172 PolarHBondContact O-N 3.31Å
171K37.7Very low41.9Very low201 Ų201107.6 Ų107.687%0.87453%0.534SS*.  trans-45121168.2-77.6-177.4176.5177.10110.6G169G169-K171 PolarHBondContact O-N 2.95Å
172R35.8Very low41Very low168 Ų168112.5 Ų112.563%0.63456%0.555SS**  trans15.3107157.7-62.3169.189.8178.3-0.2113.8R170 K174 Y178R170-R172 PolarHBondContact O-N 3.31Å; R172-K174 PolarHBondContact O-N 2.6Å; R172-Y178 PolarHBondContact NH2-OH 2.84Å
173S36.7Very low40.2Very low81 Ų81109.5 Ų109.557%0.56653%0.527SS*.BIsolated β-bridgetrans-57130.6162.883.20000107.9F175 G176S173-F175 PolarHBondContact O-N 2.86Å; S173-G176 PolarHBondContact O-N 3.46Å; S173-G176 VanDerWaalsContact O-N 3.14Å; S173-G176 WeakPolarHBondContact OG-CA 3.34Å; S173-G176 PolarHBondContact OG-N 3.44Å; S173-G176 PolarHBondContact OG-O 3.02Å
174K38.2Very low39.5Very low203 Ų203113.2 Ų113.288%0.88354%0.54SS*.THydrogen-bonded Turntrans-52.7-19.3-177.7-78.5-172.2176.2-177.70113.3R172R172-K174 PolarHBondContact O-N 2.6Å
175F35.9Very low38.4Very low182 Ų182116 Ų11680%0.79857%0.57SS**THydrogen-bonded Turntrans-117.3-1.3-174.8-70.1-77.9000115.4S173S173-F175 PolarHBondContact O-N 2.86Å
176G35.4Very low37.1Very low19 Ų19116.5 Ų116.520%0.19658%0.584CS.*BIsolated β-bridgetrans-141.8110.9-169.600000112.9S173S173-G176 PolarHBondContact O-N 3.46Å; S173-G176 VanDerWaalsContact O-N 3.14Å; S173-G176 WeakPolarHBondContact OG-CA 3.34Å; S173-G176 PolarHBondContact OG-N 3.44Å; S173-G176 PolarHBondContact OG-O 3.02Å
177G34.6Very low35.9Very low23 Ų23123.8 Ų123.824%0.23762%0.619CS.*  trans66.6125.214500000118.2I179G177-I179 PolarHBondContact O-N 2.61Å
178Y36.5Very low34.8Very low178 Ų178128.7 Ų128.770%0.69864%0.642SS**  trans-70.7113.5163.9-65.1-97.4000108.3R172 Q180R172-Y178 PolarHBondContact NH2-OH 2.84Å; Y178-Q180 PolarHBondContact O-N 2.8Å
179I36.4Very low33.9Very low71 Ų71125.9 Ų125.936%0.36465%0.649SS.*  trans-72111.4159.4-64.2164.9000104.8F142 G177 D181F142-I179 HydrophobicContact CB-CG1 4.31Å; G177-I179 PolarHBondContact O-N 2.61Å; I179-D181 PolarHBondContact O-N 3.13Å
180Q39.6Very low33.2Very low160 Ų160125.2 Ų125.275%0.74864%0.643SS**  trans-73.988.5165.8-82.3-178.6-6.600107Y178 E182Y178-Q180 PolarHBondContact O-N 2.8Å; Q180-E182 PolarHBondContact O-N 2.86Å
181D35.7Very low32.6Very low83 Ų83125.8 Ų125.844%0.44465%0.652SS.*  trans-72.5104162-115.320.6000106.2I179 R183I179-D181 PolarHBondContact O-N 3.13Å; D181-R183 PolarHBondContact O-N 3.02Å; D181-R183 IonicContact OD2-CZ 3.94Å; D181-R183 IonicContact OD2-NE 2.91Å; D181-R183 PolarHBondContact OD2-NE 3.4Å; D181-R183 IonicContact OD2-NH2 3.23Å; D181-R183 PolarHBondContact OD2-NH2 2.9Å
182E34.8Very low32.1Very low164 Ų164126.4 Ų126.477%0.76665%0.654SS**  trans-71.649.4169.6-72.5-180161.300111Q180Q180-E182 PolarHBondContact O-N 2.86Å
183R33.5Very low32Very low88 Ų88123.3 Ų123.333%0.33266%0.659SS.*  trans-104.6138.8161.6-68.8-172.9-83.1-1758106E168 D181E168-R183 VanDerWaalsContact CG-NH2 3.32Å; E168-R183 IonicContact OE1-CZ 3.57Å; E168-R183 IonicContact OE1-NH1 3.46Å; E168-R183 PolarHBondContact OE1-NH1 3.45Å; E168-R183 IonicContact OE1-NH2 2.93Å; E168-R183 PolarHBondContact OE1-NH2 3.31Å; E168-R183 IonicContact OE2-CZ 2.71Å; E168-R183 VanDerWaalsContact OE2-CZ 3.23Å; E168-R183 IonicContact OE2-NH1 3.03Å; E168-R183 PolarHBondContact OE2-NH1 2.78Å; E168-R183 IonicContact OE2-NH2 2.92Å; E168-R183 PolarHBondContact OE2-NH2 3.23Å; D181-R183 PolarHBondContact O-N 3.02Å; D181-R183 IonicContact OD2-CZ 3.94Å; D181-R183 IonicContact OD2-NE 2.91Å; D181-R183 PolarHBondContact OD2-NE 3.4Å; D181-R183 IonicContact OD2-NH2 3.23Å; D181-R183 PolarHBondContact OD2-NH2 2.9Å
184H31.4Very low31.6Very low200 Ų200128.9 Ų128.993%0.92667%0.673SS**SBendtrans89.446.3-169.5-39.4-59000115.5
185G26.5Very low31.3Very low61 Ų61125 Ų12563%0.62967%0.666SS**  trans-146.257.815800000108.5M187G185-M187 PolarHBondContact O-N 2.72Å
186V26.3Very low31.2Very low122 Ų122121 Ų12174%0.73966%0.661SS**  trans-65.774161-177.50000105.9L188V186-L188 HydrophobicContact CG1-CB 4.14Å; V186-L188 HydrophobicContact CG1-CD1 3.51Å; V186-L188 HydrophobicContact CG1-CG 3.52Å; V186-L188 PolarHBondContact O-N 3.34Å
187M25.5Very low31.2Very low180 Ų180131.1 Ų131.189%0.88769%0.693SS**  trans-72.971.3155-71.4-173.9114.800105.1G185 G189G185-M187 PolarHBondContact O-N 2.72Å; M187-G189 PolarHBondContact O-N 3.14Å
188L28.2Very low31Very low147 Ų147136.7 Ų136.777%0.7772%0.718SS**  trans-56.992.8144.4-82.2160.3000103.8V186 G190V186-L188 HydrophobicContact CG1-CB 4.14Å; V186-L188 HydrophobicContact CG1-CD1 3.51Å; V186-L188 HydrophobicContact CG1-CG 3.52Å; V186-L188 PolarHBondContact O-N 3.34Å; L188-G190 PolarHBondContact O-N 3.25Å
189G24.9Very low30.9Very low78 Ų78135.4 Ų135.480%0.80472%0.723SS**  trans-65.163162.400000108.4M187M187-G189 PolarHBondContact O-N 3.14Å
190G24.1Very low30.8Very low56 Ų56141.9 Ų141.958%0.57775%0.748SS**  trans-87.7112.716600000106.7L188L188-G190 PolarHBondContact O-N 3.25Å
191H26.3Very low30.4Very low177 Ų177143.7 Ų143.782%0.81976%0.757SS**  trans8.9116.7158.1-63.7-83.5000116.6S193H191-S193 VanDerWaalsContact C-N 3.25Å; H191-S193 PolarHBondContact O-N 2.71Å
192K28.4Very low30.4Very low213 Ų213145.5 Ų145.593%0.92678%0.776SS**  trans-61.380.7168.5-62.7178.9177.5-177.70110.5K194K192-K194 PolarHBondContact O-N 3.21Å
193S33.2Very low30.5Very low104 Ų104142.5 Ų142.573%0.72777%0.773SS**  trans-81.1102.1160.352.80000107.9H191 T195H191-S193 VanDerWaalsContact C-N 3.25Å; H191-S193 PolarHBondContact O-N 2.71Å; S193-T195 PolarHBondContact O-N 2.92Å
194K29Very low30.4Very low198 Ų198146 Ų14686%0.86179%0.793SS**  trans-58123.1166.9-64.4178.2175.8-179.30109.1K192K192-K194 PolarHBondContact O-N 3.21Å
195T30Very low30.5Very low120 Ų120142.8 Ų142.874%0.73679%0.793SS**  trans-177.195.9154.930.70000105.8S193S193-T195 PolarHBondContact O-N 2.92Å
196S34.9Very low30.5Very low100 Ų100150.1 Ų150.170%0.69980%0.802SS**  57.3106.294.570.80000113.4
197R34.2Very low30.7Very low231 Ų231154.8 Ų154.887%0.87281%0.806SS**  trans16997.4136-93.4168.8-175.9-179.32.3110
198D31.5Very low31.1Very low140 Ų140154.5 Ų154.575%0.74980%0.802SS**  36.7127.9121.5-50.9-31000120.4
199D33.7Very low31.4Very low151 Ų151153.2 Ų153.281%0.80781%0.806SS**  trans59.8106.1137.4-61.5-24.3000120.2
200K35.8Very low31.9Very low206 Ų206158.1 Ų158.190%0.89681%0.808SS**  -161.8110.2121.3-113.6166.5-179.5176.30112.4S202K200-S202 PolarHBondContact O-N 3.45Å
201Q31.1Very low32.3Very low199 Ų199164.8 Ų164.893%0.9382%0.821SS**  trans-45.4130.3150.6-88.3167.8-51.200109.7
202S34.7Very low32.6Very low120 Ų120161.5 Ų161.584%0.83982%0.818SS**  trans-127.7123.3150.263.30000108.2K200K200-S202 PolarHBondContact O-N 3.45Å
203S37.3Very low32.7Very low102 Ų102157.9 Ų157.971%0.71381%0.814SS**  trans-84.3143.3-173.646.20000110.9
204E30.6Very low32.7Very low161 Ų161160.9 Ų160.975%0.75282%0.816SS**  trans66.8105.6130.6-156.1163.1-149.900117.9
205S34.3Very low33Very low132 Ų132162.8 Ų162.892%0.92382%0.818SS**  trans-149.1112.8142.1-80.50000110.6
206R27.3Very low33.2Very low215 Ų215166.3 Ų166.381%0.81183%0.826SS**  trans-82.7164.6-178.6-165.3176.8-170.3174.72.2109.8
207R30.8Very low33.2Very low220 Ų220169.5 Ų169.583%0.8383%0.834SS**  trans96.9118.2172.1-53.4171.1-171.4-151.12.5111.9
208H33.2Very low33.4Very low174 Ų174163.6 Ų163.681%0.80683%0.828SS**  cis-142.7134.145-74.5-85000112.6
209S34.2Very low33.5Very low120 Ų120161.4 Ų161.484%0.83983%0.829SS**  trans-86.3110.1168.8173.90000108.1
210E34.4Very low33.5Very low181 Ų181161 Ų16185%0.84683%0.828SS**  trans-94.9112.2166.8-74-177.2177.100108.6S212E210-S212 PolarHBondContact O-N 3.01Å
211K32.8Very low33.6Very low196 Ų196159.8 Ų159.885%0.85282%0.824SS**  trans-56.6101.6172.3-87.8176.6170.3176.40110
212S33Very low33.8Very low108 Ų108155.9 Ų155.976%0.75582%0.815SS**  trans-94.487.5159.2167.20000108.8E210 H214E210-S212 PolarHBondContact O-N 3.01Å; S212-H214 VanDerWaalsContact C-N 3.34Å; S212-H214 PolarHBondContact O-N 3.46Å
213T30.5Very low34.1Very low137 Ų137155.3 Ų155.384%0.8481%0.81SS**  trans-68.791.4162.5340000108.9
214H34.2Very low33.9Very low168 Ų168158.4 Ų158.478%0.77881%0.814SS**  trans-121.5114.8161.5-149.127.7000108.9S212 Q216S212-H214 VanDerWaalsContact C-N 3.34Å; S212-H214 PolarHBondContact O-N 3.46Å; H214-Q216 PolarHBondContact O-N 3.33Å
215R34.7Very low34.2Very low238 Ų238158.1 Ų158.190%0.89882%0.817SS**  trans-43118.7-177.5-79.1178.4166.5-164.6-4.1110.8L217R215-L217 PolarHBondContact O-N 3.04Å; R215-L217 VanDerWaalsContact O-N 3.15Å
216Q34.5Very low34.3Very low193 Ų193159.1 Ų159.190%0.90281%0.811SS**  trans-61.2108.5163.1-74.8172.7-26.300108.2H214H214-Q216 PolarHBondContact O-N 3.33Å
217L35.4Very low34.7Very low167 Ų167153.1 Ų153.187%0.87481%0.807SS**  trans-91.7106.3154.4-74.7170.1000106.3R215 A219R215-L217 PolarHBondContact O-N 3.04Å; R215-L217 VanDerWaalsContact O-N 3.15Å; L217-A219 PolarHBondContact O-N 3.22Å
218S36.7Very low34.9Very low107 Ų107153.5 Ų153.575%0.74881%0.809SS**  trans-54.4115.9172.845.90000111.3
219A35.2Very low35Very low94 Ų94156.4 Ų156.478%0.77781%0.813SS**  trans-124.587.5156.800000107.1L217 H221L217-A219 PolarHBondContact O-N 3.22Å; A219-H221 PolarHBondContact O-N 3.15Å
220N34Very low34.9Very low144 Ų144158 Ų15877%0.7781%0.811SS**  trans-64.7111.9167.9-75-21.8000108.4
221H37.1Very low35Very low179 Ų179154.5 Ų154.583%0.82981%0.807SS**  trans-147.795.1150.4-82.4-62.2000109.1A219A219-H221 PolarHBondContact O-N 3.15Å
222T34.3Very low35.1Very low118 Ų118150 Ų15072%0.72480%0.8SS**  trans33.893.2143.1-29.40000116.8E224T222-E224 PolarHBondContact O-N 3.12Å; T222-E224 VanDerWaalsContact O-N 3.16Å
223S40.7Very low35.1Very low107 Ų107153.2 Ų153.275%0.74880%0.803SS**  trans-71.397.6158.1540000108.9N225S223-N225 PolarHBondContact O-N 3.25Å
224E34.6Very low35.3Very low167 Ų167158.7 Ų158.778%0.7881%0.808SS**  trans-66.4113.9162.8-74.6-174.6170.600108.3T222 I226T222-E224 PolarHBondContact O-N 3.12Å; T222-E224 VanDerWaalsContact O-N 3.16Å; E224-I226 VanDerWaalsContact C-N 3.33Å; E224-I226 PolarHBondContact O-N 3.22Å
225N36.7Very low35.5Very low156 Ų156155.5 Ų155.583%0.83481%0.805SS**  trans-58.492.6171.7-84-56000109.4S223 A227S223-N225 PolarHBondContact O-N 3.25Å; N225-A227 PolarHBondContact O-N 3.3Å
226I35.5Very low35.6Very low153 Ų153155.5 Ų155.579%0.78581%0.805SS**  trans-71.288.5162.3-58.1174.4000106.3E224 R228E224-I226 VanDerWaalsContact C-N 3.33Å; E224-I226 PolarHBondContact O-N 3.22Å; I226-R228 PolarHBondContact O-N 3.35Å
227A36.9Very low35.9Very low89 Ų89152.3 Ų152.374%0.73680%0.801SS**  trans-57100.7165.700000107.9N225 R229N225-A227 PolarHBondContact O-N 3.3Å; A227-R229 VanDerWaalsContact C-N 3.31Å; A227-R229 PolarHBondContact O-N 2.87Å
228R35.2Very low36.1Very low228 Ų228147.6 Ų147.686%0.8679%0.793SS**  trans-66.296.8166-75.3-176.2-174.9177.42106.9I226 D230I226-R228 PolarHBondContact O-N 3.35Å; R228-D230 VanDerWaalsContact C-N 3.34Å; R228-D230 PolarHBondContact O-N 3.16Å
229R33.4Very low36.2Very low235 Ų235151.5 Ų151.589%0.88780%0.801SS**  trans-68.397.4167-132-178.3-167.7-176.63.9106.9A227 S231A227-R229 VanDerWaalsContact C-N 3.31Å; A227-R229 PolarHBondContact O-N 2.87Å; R229-S231 PolarHBondContact O-N 2.88Å; R229-S231 VanDerWaalsContact O-N 3.1Å
230D33.4Very low36.6Very low152 Ų152155.1 Ų155.181%0.81381%0.806SS**  trans-59.3105.3161.1-86.6-32.9000108R228R228-D230 VanDerWaalsContact C-N 3.34Å; R228-D230 PolarHBondContact O-N 3.16Å
231S35.8Very low36.6Very low109 Ų109153.6 Ų153.676%0.76281%0.806SS**  trans-12062.2164.256.50000109.6R229 H233R229-S231 PolarHBondContact O-N 2.88Å; R229-S231 VanDerWaalsContact O-N 3.1Å; S231-H233 VanDerWaalsContact C-N 3.28Å; S231-H233 PolarHBondContact O-N 2.91Å; S231-H233 VanDerWaalsContact O-N 3.12Å
232S35.9Very low36.9Very low100 Ų100158.1 Ų158.170%0.69982%0.824SS**  trans-7778.6160.658.90000109.7
233H32.7Very low37Very low177 Ų177160.2 Ų160.282%0.81983%0.829SS**  trans-164.188.2156.9-96.5-19.4000109.7S231S231-H233 VanDerWaalsContact C-N 3.28Å; S231-H233 PolarHBondContact O-N 2.91Å; S231-H233 VanDerWaalsContact O-N 3.12Å
234R33.9Very low36.8Very low252 Ų252162.9 Ų162.995%0.95183%0.833SS**  trans-122.388.2152.1-127.1177.8-172.9-155.80.9108.2
235S39.6Very low37Very low101 Ų101162.7 Ų162.771%0.70684%0.836SS**PPolyproline II helixtrans-49.5131.3168.7-53.30000109.8
236R36.9Very low37Very low238 Ų238163.1 Ų163.190%0.89884%0.836SS**PPolyproline II helixtrans-56.8136.4173.3-75.8175.5166.2-176-5.8109.9G238R236-G238 PolarHBondContact O-N 2.94Å
237P40.1Very low37.1Very low125 Ų125163.8 Ų163.881%0.81284%0.839SS**PPolyproline II helixtrans-61.5122.8166.4-15.128.5000108.8M239P237-M239 PolarHBondContact O-N 3.1Å
238G39.6Very low37.1Very low69 Ų69168.7 Ų168.771%0.71185%0.846SS**PPolyproline II helixtrans-63.3128.9171.300000109.9R236 I240R236-G238 PolarHBondContact O-N 2.94Å; G238-I240 PolarHBondContact O-N 3.02Å
239M38.7Very low37.2Very low188 Ų188164.5 Ų164.593%0.92685%0.845SS**  trans-69.5108162.1-73.3-179.568.300107.5P237 S241P237-M239 PolarHBondContact O-N 3.1Å; M239-S241 PolarHBondContact O-N 3.19Å
240I44.2Very low37.5Very low170 Ų170159.1 Ų159.187%0.87284%0.842SS**  trans-73.4111.8166.3-64.9169.2000106.1G238G238-I240 PolarHBondContact O-N 3.02Å
241S33.5Very low37.8Very low112 Ų112159.7 Ų159.778%0.78385%0.845SS**  trans-112110.7165.3168.10000107.1M239M239-S241 PolarHBondContact O-N 3.19Å
242K43.3Very low38Very low275 Ų275164.3 Ų164.3100%1.19685%0.852SS**  trans-148.90142.2-88-167.2179.5179.60107

Retrieved 242 of 242 residues in 54.9 ms (Link to these results)

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