A0A087YIC6_POEFO Loading...

Sushi domain containing 6

AlphaFold DB (A0A3B3VBC2), UniProt , Accession A0A087YIC6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 382 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
1M35.9Very low42Very low227 Ų227149.7 Ų149.7100%1.11884%0.836SS**  0147.10-72.668.1160.700108.4
2C38.8Very low42.4Very low114 Ų114143.4 Ų143.477%0.7782%0.817SS**  trans19.3145.6146.8-56.40000119.4
3D40.4Very low42.9Very low157 Ų157142.7 Ų142.784%0.8482%0.822SS**  cis177.9146.5-4.1-111.6-68.8000103.2
4G39.5Very low43.3Very low67 Ų67139.9 Ų139.969%0.69181%0.814SS**  trans-157.559.5-163.400000116.2
5M41.4Very low43.9Very low189 Ų189137.7 Ų137.793%0.93181%0.81SS**  trans0.6112.7166-74.5174.3-88.200118
6V46.6Very low44.5Very low119 Ų119135.4 Ų135.472%0.72180%0.804SS**  trans-95.5113157.2-174.80000108.3F8V6-F8 PolarHBondContact O-N 3.49Å
7A43.3Very low45.1Very low96 Ų96130.4 Ų130.479%0.79378%0.777SS**  trans-78.8115178.200000110.9
8F43.8Very low45.8Very low176 Ų176128.9 Ų128.977%0.77277%0.769SS**  trans-84.1132168.6-66.6-84.7000109.9V6 T10V6-F8 PolarHBondContact O-N 3.49Å; F8-T10 PolarHBondContact O-N 2.91Å
9P45Very low46.5Very low123 Ų123125.3 Ų125.380%0.79976%0.755SS**  trans-69.7116.917927.2-33000110.7R11P9-R11 PolarHBondContact O-N 3.33Å
10T43.7Very low47.1Very low141 Ų141126.1 Ų126.187%0.86575%0.749SS**  trans-68.895.117336.40000110.4F8 A12F8-T10 PolarHBondContact O-N 2.91Å; T10-A12 PolarHBondContact O-N 2.89Å; T10-A12 VanDerWaalsContact O-N 3.13Å
11R44.1Very low47.8Very low238 Ų238129.3 Ų129.390%0.89875%0.748SS**  trans-66111.7171.3-171.1172.9-175.5158.10.7109.2P9P9-R11 PolarHBondContact O-N 3.33Å
12A47Very low49Very low74 Ų74123.8 Ų123.861%0.61272%0.723SS**  trans-57.3144179.100000111.8T10 S14T10-A12 PolarHBondContact O-N 2.89Å; T10-A12 VanDerWaalsContact O-N 3.13Å; A12-S14 PolarHBondContact O-N 2.9Å
13P48.4Very low50.2Low134 Ų134120.6 Ų120.687%0.8771%0.705SS**  trans-73.189.4175.430.5-33.8000110S15P13-S15 PolarHBondContact O-N 3.29Å
14S48.6Very low51.5Low103 Ų103115.5 Ų115.572%0.7268%0.684SS**  trans-68.9116.6175.455.80000111.1A12A12-S14 PolarHBondContact O-N 2.9Å
15S52.4Low52.8Low107 Ų107115.2 Ų115.275%0.74867%0.672SS**  trans49.881.7161.9-168.30000115.2P13 S17P13-S15 PolarHBondContact O-N 3.29Å; S15-S17 PolarHBondContact O-N 3.44Å
16S53.3Low53.9Low102 Ų102108.2 Ų108.271%0.71364%0.644SS**  trans-65.590.4162.844.20000109.3
17S54.7Low54.8Low49 Ų49107.9 Ų107.934%0.34364%0.638SS.*  trans-45.8144.3-163.8-175.60000114.6S15 A19 H20 R21S15-S17 PolarHBondContact O-N 3.44Å; S17-A19 PolarHBondContact O-N 2.76Å; S17-A19 VanDerWaalsContact O-N 3.11Å; S17-A19 VanDerWaalsContact OG-CB 3.29Å; S17-A19 WeakPolarHBondContact OG-CB 3.35Å; S17-A19 PolarHBondContact OG-N 3.28Å; S17-H20 WeakPolarHBondContact O-CB 3.31Å; S17-H20 PolarHBondContact O-N 2.9Å; S17-R21 PolarHBondContact O-N 3.45Å
18V58.3Low55.7Low105 Ų105108.2 Ų108.264%0.63663%0.626SS**Hα-helixtrans-52.1-31.2165.1178.70000110.5H20 R21 L22V18-H20 VanDerWaalsContact C-N 3.33Å; V18-H20 PolarHBondContact O-N 3.5Å; V18-R21 PolarHBondContact O-N 2.84Å; V18-R21 VanDerWaalsContact O-N 3.16Å; V18-L22 HydrophobicContact CG1-CD1 3.96Å; V18-L22 HydrophobicContact CG1-CG 4.2Å; V18-L22 WeakPolarHBondContact O-CG 3.49Å; V18-L22 PolarHBondContact O-N 3.18Å
19A58Low56.6Low60 Ų60105.9 Ų105.950%0.49662%0.621SS.*Hα-helixtrans-61.2-34.3172.600000113.7S17 A23S17-A19 PolarHBondContact O-N 2.76Å; S17-A19 VanDerWaalsContact O-N 3.11Å; S17-A19 VanDerWaalsContact OG-CB 3.29Å; S17-A19 WeakPolarHBondContact OG-CB 3.35Å; S17-A19 PolarHBondContact OG-N 3.28Å; A19-A23 WeakPolarHBondContact O-CB 3.28Å; A19-A23 PolarHBondContact O-N 2.96Å
20H58.8Low57.3Low141 Ų141106.6 Ų106.665%0.65361%0.611SS**Hα-helixtrans-68.2-37.2173.7-97.3-72.2000111.9S17 V18 A24S17-H20 WeakPolarHBondContact O-CB 3.31Å; S17-H20 PolarHBondContact O-N 2.9Å; V18-H20 VanDerWaalsContact C-N 3.33Å; V18-H20 PolarHBondContact O-N 3.5Å; H20-A24 VanDerWaalsContact O-CB 3.27Å; H20-A24 WeakPolarHBondContact O-CB 3.31Å; H20-A24 PolarHBondContact O-N 3.36Å
21R61.5Low58.1Low193 Ų193105.7 Ų105.773%0.72860%0.6SS**Hα-helixtrans-70.1-42.3176.3-66.2-173.2179.7-126.31.4111.5S17 V18 A24 S25S17-R21 PolarHBondContact O-N 3.45Å; V18-R21 PolarHBondContact O-N 2.84Å; V18-R21 VanDerWaalsContact O-N 3.16Å; R21-A24 PolarHBondContact O-N 2.83Å; R21-S25 PolarHBondContact O-N 2.99Å; R21-S25 PolarHBondContact O-OG 3.47Å
22L61.9Low58.8Low111 Ų111100.7 Ų100.758%0.58159%0.59SS**Hα-helixtrans-66.2-40.3175.3-69.3173.9000112.3V18 S25 A26V18-L22 HydrophobicContact CG1-CD1 3.96Å; V18-L22 HydrophobicContact CG1-CG 4.2Å; V18-L22 WeakPolarHBondContact O-CG 3.49Å; V18-L22 PolarHBondContact O-N 3.18Å; L22-S25 WeakPolarHBondContact CA-OG 3.17Å; L22-S25 PolarHBondContact O-N 3.23Å; L22-S25 PolarHBondContact O-OG 3.11Å; L22-A26 VanDerWaalsContact O-CB 3.27Å; L22-A26 WeakPolarHBondContact O-CB 3.48Å; L22-A26 PolarHBondContact O-N 3.47Å
23A64.4Low59.2Low47 Ų47102 Ų10239%0.38859%0.586SS.*Hα-helixtrans-64.6-42.217400000111.6A19 A26 L27A19-A23 WeakPolarHBondContact O-CB 3.28Å; A19-A23 PolarHBondContact O-N 2.96Å; A23-A26 PolarHBondContact O-N 3.4Å; A23-L27 WeakPolarHBondContact O-CB 3.47Å; A23-L27 WeakPolarHBondContact O-CG 3.05Å; A23-L27 PolarHBondContact O-N 2.88Å
24A66.7Low59.6Low50 Ų50101.2 Ų101.241%0.41358%0.582SS.*Hα-helixtrans-64.4-41.7175.300000112.4H20 R21 L28H20-A24 VanDerWaalsContact O-CB 3.27Å; H20-A24 WeakPolarHBondContact O-CB 3.31Å; H20-A24 PolarHBondContact O-N 3.36Å; R21-A24 PolarHBondContact O-N 2.83Å; A24-L28 WeakPolarHBondContact O-CB 3.31Å; A24-L28 PolarHBondContact O-N 3.45Å
25S67.2Low59.9Low61 Ų61102.7 Ų102.743%0.42758%0.577SS.*Hα-helixtrans-68.5-35.717557.70000112.9R21 L22 L28 L29R21-S25 PolarHBondContact O-N 2.99Å; R21-S25 PolarHBondContact O-OG 3.47Å; L22-S25 WeakPolarHBondContact CA-OG 3.17Å; L22-S25 PolarHBondContact O-N 3.23Å; L22-S25 PolarHBondContact O-OG 3.11Å; S25-L28 PolarHBondContact O-N 2.98Å; S25-L29 PolarHBondContact O-N 2.83Å
26A65.2Low59.9Low42 Ų42100.7 Ų100.735%0.34757%0.573SS.*Hα-helixtrans-67.1-44.1174.900000111.2L22 A23 L28 L29 F30L22-A26 VanDerWaalsContact O-CB 3.27Å; L22-A26 WeakPolarHBondContact O-CB 3.48Å; L22-A26 PolarHBondContact O-N 3.47Å; A23-A26 PolarHBondContact O-N 3.4Å; A26-L28 VanDerWaalsContact C-N 3.35Å; A26-L28 PolarHBondContact O-N 3.05Å; A26-L29 WeakPolarHBondContact O-CB 3.49Å; A26-L29 PolarHBondContact O-N 3.28Å; A26-L29 VanDerWaalsContact O-N 3.12Å; A26-F30 VanDerWaalsContact O-CD2 3.26Å; A26-F30 WeakPolarHBondContact O-CD2 3.35Å; A26-F30 PolarHBondContact O-N 3.17Å
27L64.4Low60.1Low112 Ų112103.3 Ų103.359%0.58657%0.574SS**Hα-helixtrans-60-42.3173.4-82.3160.3000111.9A23 L29 F30 I31A23-L27 WeakPolarHBondContact O-CB 3.47Å; A23-L27 WeakPolarHBondContact O-CG 3.05Å; A23-L27 PolarHBondContact O-N 2.88Å; L27-L29 VanDerWaalsContact C-N 3.34Å; L27-L29 PolarHBondContact O-N 3.38Å; L27-F30 PolarHBondContact O-N 3.4Å; L27-I31 WeakPolarHBondContact O-CD1 3.26Å; L27-I31 VanDerWaalsContact O-CG1 3.25Å; L27-I31 WeakPolarHBondContact O-CG1 3.48Å; L27-I31 PolarHBondContact O-N 3.02Å
28L62.9Low60.2Low104 Ų104104.6 Ų104.655%0.54559%0.588SS.*Hα-helixtrans-61.6-39.8172-94.4154.8000112.4A24 S25 A26 I31 L32A24-L28 WeakPolarHBondContact O-CB 3.31Å; A24-L28 PolarHBondContact O-N 3.45Å; S25-L28 PolarHBondContact O-N 2.98Å; A26-L28 VanDerWaalsContact C-N 3.35Å; A26-L28 PolarHBondContact O-N 3.05Å; L28-I31 PolarHBondContact O-N 3.46Å; L28-L32 WeakPolarHBondContact O-CB 3.35Å; L28-L32 VanDerWaalsContact O-CG 3.3Å; L28-L32 WeakPolarHBondContact O-CG 3.3Å; L28-L32 PolarHBondContact O-N 3.19Å
29L61.2Low60.9Low127 Ų127103.3 Ų103.367%0.66558%0.583SS**Hα-helixtrans-64-39.5173.6-127.581.2000112.2S25 A26 L27 L32 L33S25-L29 PolarHBondContact O-N 2.83Å; A26-L29 WeakPolarHBondContact O-CB 3.49Å; A26-L29 PolarHBondContact O-N 3.28Å; A26-L29 VanDerWaalsContact O-N 3.12Å; L27-L29 VanDerWaalsContact C-N 3.34Å; L27-L29 PolarHBondContact O-N 3.38Å; L29-L32 PolarHBondContact O-N 3.4Å; L29-L33 PolarHBondContact O-N 2.93Å
30F60Low62Low137 Ų137101.2 Ų101.260%0.60157%0.568SS**Hα-helixtrans-67.6-33.2174.9-85.2-71.1000112.9A26 L27 L33 H35A26-F30 VanDerWaalsContact O-CD2 3.26Å; A26-F30 WeakPolarHBondContact O-CD2 3.35Å; A26-F30 PolarHBondContact O-N 3.17Å; L27-F30 PolarHBondContact O-N 3.4Å; F30-L33 HydrophobicContact CD1-CD1 3.95Å; F30-L33 HydrophobicContact CE1-CD1 4.3Å; F30-H35 PolarHBondContact O-CE1 3.35Å
31I61Low63.5Low122 Ų12294.5 Ų94.563%0.62654%0.537SS*.Hα-helixtrans-74-31.1174.7-66.7161.3000111.6L27 L28L27-I31 WeakPolarHBondContact O-CD1 3.26Å; L27-I31 VanDerWaalsContact O-CG1 3.25Å; L27-I31 WeakPolarHBondContact O-CG1 3.48Å; L27-I31 PolarHBondContact O-N 3.02Å; L28-I31 PolarHBondContact O-N 3.46Å
32L58.3Low64.7Low134 Ų13488.6 Ų88.670%0.70253%0.529SS*.Hα-helixtrans-83-14.9177.3-72.3174.7000114.2L28 L29L28-L32 WeakPolarHBondContact O-CB 3.35Å; L28-L32 VanDerWaalsContact O-CG 3.3Å; L28-L32 WeakPolarHBondContact O-CG 3.3Å; L28-L32 PolarHBondContact O-N 3.19Å; L29-L32 PolarHBondContact O-N 3.4Å
33L55.8Low65.9Low100 Ų10086.5 Ų86.552%0.52452%0.522SS..SBendtrans-61.5124.2163.2-85.1164000107.8L29 F30 H35L29-L33 PolarHBondContact O-N 2.93Å; F30-L33 HydrophobicContact CD1-CD1 3.95Å; F30-L33 HydrophobicContact CE1-CD1 4.3Å; L33-H35 PolarHBondContact O-N 3.45Å; L33-H35 PolarHBondContact O-ND1 2.93Å
34P57.8Low66.8Low119 Ų11985.5 Ų85.577%0.77351%0.511SS*.  trans-62.2108.6174.625.9-32000106.9G36P34-G36 PolarHBondContact O-N 3.37Å
35H53.6Low67.5Low133 Ų13390.2 Ų90.262%0.61653%0.529SS*.  trans-6976.1162.8-7176.4000106.4F30 L33 H37F30-H35 PolarHBondContact O-CE1 3.35Å; L33-H35 PolarHBondContact O-N 3.45Å; L33-H35 PolarHBondContact O-ND1 2.93Å; H35-H37 PolarHBondContact O-N 3.31Å; H35-H37 PolarHBondContact O-ND1 3.44Å
36G53.6Low68Low66 Ų6698.7 Ų98.768%0.6855%0.552SS**  trans-57.786.7156.800000105.8P34 A38P34-G36 PolarHBondContact O-N 3.37Å; G36-A38 VanDerWaalsContact C-N 3.33Å; G36-A38 PolarHBondContact O-N 2.9Å
37H55.8Low69Low157 Ų15797.7 Ų97.773%0.72754%0.541SS*.  trans-55.6110.5162.4-71.167.4000103.1H35 S39H35-H37 PolarHBondContact O-N 3.31Å; H35-H37 PolarHBondContact O-ND1 3.44Å; H37-S39 PolarHBondContact O-N 2.92Å
38A57.2Low70Confident76 Ų7699.2 Ų99.263%0.62855%0.545SS*.  trans-70.968.1175.500000107.6G36 G40 P65G36-A38 VanDerWaalsContact C-N 3.33Å; G36-A38 PolarHBondContact O-N 2.9Å; A38-G40 VanDerWaalsContact C-N 3.31Å; A38-G40 PolarHBondContact O-N 3.26Å; A38-P65 HydrophobicContact CB-CG 4.36Å
39S72.8Confident71.1Confident77 Ų7797.4 Ų97.454%0.53853%0.534SS..  trans-64.698171.850.40000105.9H37 G91H37-S39 PolarHBondContact O-N 2.92Å; S39-G91 WeakPolarHBondContact O-CA 3.45Å
40G82.7Confident72.4Confident17 Ų1792.3 Ų92.318%0.17551%0.512CS..PPolyproline II helixtrans-53.8153174.300000111.3A38 A42 Y63A38-G40 VanDerWaalsContact C-N 3.31Å; A38-G40 PolarHBondContact O-N 3.26Å; G40-A42 PolarHBondContact O-N 2.86Å; G40-Y63 CarbonylContact C-O 3.54Å; G40-Y63 WeakPolarHBondContact CA-O 3.31Å
41C88.5Confident73.7Confident0 Ų088.5 Ų88.50%050%0.502CS..BIsolated β-bridgetrans-56.7137.4-179.3-60.80000111.1S62 Y63 C87 G91 V92 W93C41-S62 WeakPolarHBondContact O-CA 3.21Å; C41-Y63 PolarHBondContact N-O 3.08Å; C41-Y63 PolarHBondContact O-N 3.03Å; C41-C87 HydrophobicContact CB-CB 3.92Å; C41-C87 WeakPolarHBondContact CB-SG 3.23Å; C41-C87 PolarHBondContact N-SG 3.15Å; C41-C87 WeakPolarHBondContact SG-CA 3.44Å; C41-C87 WeakPolarHBondContact SG-CB 3.3Å; C41-C87 CovalentContact SG-SG 2.03Å; C41-C87 PolarHBondContact SG-SG 3.38Å; C41-G91 WeakPolarHBondContact CA-O 3.49Å; C41-V92 PolarHBondContact SG-N 3.48Å; C41-V92 PolarHBondContact SG-O 2.91Å; C41-V92 VanDerWaalsContact SG-O 3.39Å; C41-W93 HydrophobicContact CB-CD2 3.92Å; C41-W93 VanDerWaalsContact CB-CE2 3.46Å; C41-W93 HydrophobicContact CB-CG 4.29Å; C41-W93 HydrophobicContact CB-CH2 4.31Å; C41-W93 HydrophobicContact CB-CZ2 3.68Å
42A88.3Confident74.9Confident68 Ų6883.9 Ų83.956%0.56248%0.479SS*.PPolyproline II helixtrans-63152172.700000110.5G40 W93G40-A42 PolarHBondContact O-N 2.86Å; A42-W93 PolarHBondContact O-NE1 2.89Å
43P86.6Confident76.2Confident67 Ų6782.3 Ų82.344%0.43547%0.47SS..PPolyproline II helixtrans-57.4134.2178.3-24.835.9000111.3Q60 V61 Y63P43-Q60 WeakPolarHBondContact CG-O 3.18Å; P43-V61 VanDerWaalsContact CD-O 3.31Å; P43-V61 WeakPolarHBondContact CD-O 3.11Å; P43-V61 WeakPolarHBondContact CG-O 3.33Å; P43-Y63 HydrophobicContact CB-CE2 4.08Å; P43-Y63 HydrophobicContact CG-CE2 4.23Å
44P82.4Confident76.9Confident26 Ų2680.7 Ų80.717%0.16946%0.462CS..PPolyproline II helixtrans-65.1150.8179.427.9-35.3000111L69 F71 P97P44-L69 HydrophobicContact CG-CD1 3.61Å; P44-F71 HydrophobicContact CB-CE1 4.46Å; P44-F71 HydrophobicContact CB-CZ 3.9Å; P44-F71 HydrophobicContact CG-CE1 4.29Å; P44-F71 HydrophobicContact CG-CZ 3.86Å; P44-P97 HydrophobicContact CB-CG 3.89Å
45L81.9Confident77Confident150 Ų15082.3 Ų82.379%0.78546%0.46SS*.PPolyproline II helixtrans-58.9145.8171.4-63.9175.7000110.4V47L45-V47 PolarHBondContact O-N 3.49Å
46R78.6Confident77.1Confident239 Ų23982.7 Ų82.790%0.90247%0.471SS*.PPolyproline II helixtrans-63.6128175.8-78-168.5168.6-175.1-3.7110.3
47V85Confident77.3Confident20 Ų2081 Ų8112%0.12145%0.446CS..PPolyproline II helixtrans-76.8128.9172.6179.10000108.7L45 H49 G50 F71 P97 P98 C100L45-V47 PolarHBondContact O-N 3.49Å; V47-H49 PolarHBondContact O-N 2.82Å; V47-G50 PolarHBondContact O-N 2.99Å; V47-F71 HydrophobicContact CG2-CD1 3.68Å; V47-F71 HydrophobicContact CG2-CE1 3.85Å; V47-F71 HydrophobicContact CG2-CG 4.47Å; V47-P97 HydrophobicContact CG2-CB 3.57Å; V47-P98 VanDerWaalsContact CG1-O 3.24Å; V47-P98 WeakPolarHBondContact CG1-O 3.21Å; V47-C100 HydrophobicContact CG1-CB 4.28Å
48Q86.5Confident77.3Confident144 Ų14476.2 Ų76.267%0.67343%0.43SS*.THydrogen-bonded Turntrans-69.9130.3175.6-172.361.447.600109.4G50 C100Q48-G50 VanDerWaalsContact C-N 3.26Å; Q48-G50 PolarHBondContact O-N 2.63Å; Q48-C100 WeakPolarHBondContact O-CB 3.48Å
49H86.1Confident77.5Confident67 Ų6780.4 Ų80.431%0.3144%0.442SS..THydrogen-bonded Turntrans57.833.7-170.4-47113.6000114.3V47 C73 D74 Y77 C100V47-H49 PolarHBondContact O-N 2.82Å; H49-C73 WeakPolarHBondContact O-CA 3.44Å; H49-D74 VanDerWaalsContact CA-OD2 3.22Å; H49-D74 WeakPolarHBondContact CA-OD2 3.32Å; H49-D74 HydrophobicContact CB-CB 4.43Å; H49-D74 PolarHBondContact O-N 3.29Å; H49-Y77 HydrophobicContact CB-CD1 3.79Å; H49-Y77 HydrophobicContact CB-CD2 3.86Å; H49-Y77 HydrophobicContact CB-CE1 3.87Å; H49-Y77 HydrophobicContact CB-CE2 3.91Å; H49-Y77 HydrophobicContact CB-CG 3.82Å; H49-Y77 AromaticContact CD2-CE2 4Å; H49-Y77 AromaticContact CD2-CZ 3.81Å; H49-Y77 AromaticContact CE1-CZ 3.86Å; H49-Y77 PolarHBondContact CE1-OH 3.36Å; H49-Y77 AromaticContact CG-CE1 3.64Å; H49-Y77 AromaticContact CG-CE2 3.8Å; H49-Y77 AromaticContact CG-CZ 3.47Å; H49-Y77 VanDerWaalsContact CG-CZ 3.47Å; H49-Y77 AromaticContact ND1-CE1 3.39Å; H49-Y77 WeakPolarHBondContact ND1-CE1 3.48Å; H49-Y77 AromaticContact ND1-CZ 3.51Å; H49-C100 HydrophobicContact CB-CB 4.28Å; H49-C100 WeakPolarHBondContact O-CB 3Å; H49-C100 PolarHBondContact O-SG 3.35Å; H49-C100 VanDerWaalsContact O-SG 3.34Å
50G87.1Confident77.5Confident19 Ų1980.5 Ų80.520%0.19643%0.434CS..EExtended strand (participates in β ladder)trans-149.7163.1176.700000113.8V47 Q48 G72V47-G50 PolarHBondContact O-N 2.99Å; Q48-G50 VanDerWaalsContact C-N 3.26Å; Q48-G50 PolarHBondContact O-N 2.63Å; G50-G72 CarbonylContact C-O 3.51Å; G50-G72 WeakPolarHBondContact CA-O 3.42Å
51S87.8Confident77.4Confident58 Ų5885.8 Ų85.841%0.40646%0.463SS..EExtended strand (participates in β ladder)trans-142.2159.4-176.256.80000111.4F71 G72S51-F71 WeakPolarHBondContact O-CA 3.48Å; S51-G72 PolarHBondContact N-O 3.08Å; S51-G72 PolarHBondContact O-N 2.92Å
52L87.5Confident77.2Confident25 Ų2588.7 Ų88.713%0.13148%0.482CS..EExtended strand (participates in β ladder)trans-79.5122.1170.4-72.6171.6000109.1N54 Q55 L69 F71L52-N54 VanDerWaalsContact C-N 3.32Å; L52-Q55 WeakPolarHBondContact O-CG 3.37Å; L52-L69 HydrophobicContact CD1-CD1 4.44Å; L52-L69 HydrophobicContact CD1-CD2 4.36Å; L52-L69 HydrophobicContact CD2-CB 4.09Å; L52-L69 HydrophobicContact CD2-CD1 4.11Å; L52-L69 HydrophobicContact CD2-CD2 4.04Å; L52-L69 HydrophobicContact CD2-CG 4.32Å; L52-F71 HydrophobicContact CD2-CD1 3.63Å; L52-F71 HydrophobicContact CD2-CE1 3.43Å; L52-F71 VanDerWaalsContact CD2-CE1 3.43Å; L52-F71 HydrophobicContact CD2-CE2 4.35Å; L52-F71 HydrophobicContact CD2-CG 4.18Å; L52-F71 HydrophobicContact CD2-CZ 3.82Å; L52-F71 HydrophobicContact CG-CD1 4.4Å; L52-F71 HydrophobicContact CG-CE1 4.21Å
53L83.7Confident77.2Confident101 Ų10185.5 Ų85.553%0.52946%0.456SS..SBendtrans-69.7-34.2177-63.9178.3000111.2Q55 T70L53-Q55 PolarHBondContact O-N 3.49Å; L53-T70 HydrophobicContact CD1-CG2 3.99Å; L53-T70 PolarHBondContact N-O 3.37Å
54N72.4Confident77.3Confident65 Ų6585.6 Ų85.635%0.34846%0.457SS..  trans-79.866.9172.7-67.2-7.1000110.1L52 T56 E57 Q68L52-N54 VanDerWaalsContact C-N 3.32Å; N54-T56 PolarHBondContact O-N 3.47Å; N54-E57 PolarHBondContact O-N 3.33Å; N54-Q68 PolarHBondContact ND2-O 2.94Å
55Q59Low77.7Confident154 Ų15487 Ų8772%0.7247%0.465SS*.G310 helixtrans-58.9-23.1-171.8-65.7-1791700114.3L52 L53 E57 S58L52-Q55 WeakPolarHBondContact O-CG 3.37Å; L53-Q55 PolarHBondContact O-N 3.49Å; Q55-E57 PolarHBondContact O-N 2.77Å; Q55-S58 PolarHBondContact O-N 3.47Å
56T55.4Low78Confident141 Ų14182.8 Ų82.887%0.86546%0.458SS*.G310 helixtrans-60.5-24.6179.148.50000114.1N54N54-T56 PolarHBondContact O-N 3.47Å
57E57.9Low78.4Confident30 Ų3072.2 Ų72.214%0.1442%0.421CS..G310 helixtrans-103.2-8.7-175.9-132178.4176.500112.5N54 Q55 N59 Q60 Y63 S67N54-E57 PolarHBondContact O-N 3.33Å; Q55-E57 PolarHBondContact O-N 2.77Å; E57-N59 PolarHBondContact O-N 2.94Å; E57-Q60 HydrophobicContact CG-CB 4.3Å; E57-Q60 VanDerWaalsContact O-CB 3.23Å; E57-Q60 WeakPolarHBondContact O-CB 3.36Å; E57-Q60 PolarHBondContact O-N 2.84Å; E57-Y63 HydrophobicContact CB-CE1 3.71Å; E57-Y63 HydrophobicContact CG-CD1 3.9Å; E57-Y63 HydrophobicContact CG-CE1 3.45Å; E57-Y63 VanDerWaalsContact CG-CE1 3.45Å; E57-Y63 PolarHBondContact O-OH 2.85Å; E57-Y63 VanDerWaalsContact OE1-CD1 3.3Å; E57-Y63 WeakPolarHBondContact OE1-CD1 3.26Å; E57-Y63 WeakPolarHBondContact OE2-CE1 3.24Å; E57-S67 PolarHBondContact OE1-OG 3.43Å
58S56.9Low78.7Confident57 Ų5776.7 Ų76.740%0.39944%0.441SS..THydrogen-bonded Turntrans-63.5-14-172.1-175.80000115.8Q55Q55-S58 PolarHBondContact O-N 3.47Å
59N60.7Low78.8Confident164 Ų16469.8 Ų69.888%0.87741%0.409SS*.THydrogen-bonded Turntrans-107.18.6175.8-85.4-19.3000112.9E57E57-N59 PolarHBondContact O-N 2.94Å
60Q72.6Confident79Confident78 Ų7868.1 Ų68.136%0.36440%0.403SS..  trans-79136.1-178.9-151.2167.4-73.500111P43 E57 S62P43-Q60 WeakPolarHBondContact CG-O 3.18Å; E57-Q60 HydrophobicContact CG-CB 4.3Å; E57-Q60 VanDerWaalsContact O-CB 3.23Å; E57-Q60 WeakPolarHBondContact O-CB 3.36Å; E57-Q60 PolarHBondContact O-N 2.84Å; Q60-S62 VanDerWaalsContact C-N 3.33Å; Q60-S62 WeakPolarHBondContact CG-O 3.22Å; Q60-S62 PolarHBondContact NE2-O 3.31Å
61V79.8Confident79.1Confident129 Ų12967.7 Ų67.778%0.78240%0.396SS*.SBendtrans-73.8-25.5-177-179.40000112.1P43P43-V61 VanDerWaalsContact CD-O 3.31Å; P43-V61 WeakPolarHBondContact CD-O 3.11Å; P43-V61 WeakPolarHBondContact CG-O 3.33Å
62S85.9Confident79.2Confident60 Ų6065.5 Ų65.542%0.4238%0.382SS..  trans-157.4154173.7580000111.2C41 Q60C41-S62 WeakPolarHBondContact O-CA 3.21Å; Q60-S62 VanDerWaalsContact C-N 3.33Å; Q60-S62 WeakPolarHBondContact CG-O 3.22Å; Q60-S62 PolarHBondContact NE2-O 3.31Å
63Y86.8Confident79.3Confident2 Ų265.7 Ų65.71%0.00839%0.385CS..BIsolated β-bridgetrans-110.9117.2-173.5-72.2-101.3000110.3G40 C41 P43 E57 L69 C87 W93G40-Y63 CarbonylContact C-O 3.54Å; G40-Y63 WeakPolarHBondContact CA-O 3.31Å; C41-Y63 PolarHBondContact N-O 3.08Å; C41-Y63 PolarHBondContact O-N 3.03Å; P43-Y63 HydrophobicContact CB-CE2 4.08Å; P43-Y63 HydrophobicContact CG-CE2 4.23Å; E57-Y63 HydrophobicContact CB-CE1 3.71Å; E57-Y63 HydrophobicContact CG-CD1 3.9Å; E57-Y63 HydrophobicContact CG-CE1 3.45Å; E57-Y63 VanDerWaalsContact CG-CE1 3.45Å; E57-Y63 PolarHBondContact O-OH 2.85Å; E57-Y63 VanDerWaalsContact OE1-CD1 3.3Å; E57-Y63 WeakPolarHBondContact OE1-CD1 3.26Å; E57-Y63 WeakPolarHBondContact OE2-CE1 3.24Å; Y63-L69 HydrophobicContact CD1-CD1 4.18Å; Y63-L69 HydrophobicContact CD1-CD2 4.31Å; Y63-L69 HydrophobicContact CD1-CG 4.25Å; Y63-L69 HydrophobicContact CE1-CD1 3.65Å; Y63-L69 HydrophobicContact CE1-CD2 3.52Å; Y63-L69 HydrophobicContact CE1-CG 3.81Å; Y63-C87 PolarHBondContact O-SG 2.69Å; Y63-C87 VanDerWaalsContact O-SG 3.36Å; Y63-W93 AromaticContact CD1-CH2 3.77Å; Y63-W93 HydrophobicContact CD1-CH2 3.77Å; Y63-W93 HydrophobicContact CD1-CZ2 4.1Å; Y63-W93 HydrophobicContact CD2-CH2 4.29Å; Y63-W93 AromaticContact CD2-CZ2 3.78Å; Y63-W93 HydrophobicContact CD2-CZ2 3.78Å; Y63-W93 HydrophobicContact CE1-CH2 4.42Å; Y63-W93 HydrophobicContact CE2-CZ2 4.39Å; Y63-W93 AromaticContact CG-CH2 3.67Å; Y63-W93 HydrophobicContact CG-CH2 3.67Å; Y63-W93 AromaticContact CG-CZ2 3.62Å; Y63-W93 HydrophobicContact CG-CZ2 3.62Å
64P88.9Confident79.6Confident69 Ų6963.9 Ų63.945%0.44838%0.376SS..  trans-59.1151.9-178.725.1-34.4000112.1G66 S67P64-G66 PolarHBondContact O-N 2.88Å; P64-S67 WeakPolarHBondContact CD-OG 3.3Å; P64-S67 WeakPolarHBondContact CG-OG 3.16Å; P64-S67 WeakPolarHBondContact O-CB 3.42Å; P64-S67 PolarHBondContact O-N 3.09Å; P64-S67 PolarHBondContact O-OG 3.38Å
65P90.6Very high80Confident54 Ų5467 Ų6735%0.35140%0.4SS..THydrogen-bonded Turntrans-50.3130.5171.2-29.637.7000111.7A38 T88A38-P65 HydrophobicContact CB-CG 4.36Å; P65-T88 WeakPolarHBondContact CB-O 3.13Å
66G88.1Confident80.8Confident62 Ų6261.9 Ų61.964%0.63939%0.389SS*.THydrogen-bonded Turntrans93.4-12.1-172.200000115.8P64 C87P64-G66 PolarHBondContact O-N 2.88Å; G66-C87 PolarHBondContact N-O 3Å
67S88.4Confident82.2Confident17 Ų1758.1 Ų58.112%0.11936%0.359CS..  trans-57.9139.4170.6-83.30000111.1E57 P64 F86 C87E57-S67 PolarHBondContact OE1-OG 3.43Å; P64-S67 WeakPolarHBondContact CD-OG 3.3Å; P64-S67 WeakPolarHBondContact CG-OG 3.16Å; P64-S67 WeakPolarHBondContact O-CB 3.42Å; P64-S67 PolarHBondContact O-N 3.09Å; P64-S67 PolarHBondContact O-OG 3.38Å; S67-F86 CarbonylContact O-C 3.59Å; S67-F86 WeakPolarHBondContact O-CA 3.44Å; S67-C87 PolarHBondContact O-N 2.73Å
68Q90.3Very high83.4Confident114 Ų11458.1 Ų58.153%0.53336%0.361SS..EExtended strand (participates in β ladder)trans-120.8120.9-178-176-178.847.700110.6N54 T84 V85N54-Q68 PolarHBondContact ND2-O 2.94Å; Q68-T84 HydrophobicContact CG-CG2 3.57Å; Q68-V85 WeakPolarHBondContact CA-O 3.36Å
69L88.8Confident84.9Confident0 Ų057.9 Ų57.90%036%0.358CS..EExtended strand (participates in β ladder)trans-108.2132.8176.9-73-177.4000110.8P44 L52 Y63 T84 V85 W93P44-L69 HydrophobicContact CG-CD1 3.61Å; L52-L69 HydrophobicContact CD1-CD1 4.44Å; L52-L69 HydrophobicContact CD1-CD2 4.36Å; L52-L69 HydrophobicContact CD2-CB 4.09Å; L52-L69 HydrophobicContact CD2-CD1 4.11Å; L52-L69 HydrophobicContact CD2-CD2 4.04Å; L52-L69 HydrophobicContact CD2-CG 4.32Å; Y63-L69 HydrophobicContact CD1-CD1 4.18Å; Y63-L69 HydrophobicContact CD1-CD2 4.31Å; Y63-L69 HydrophobicContact CD1-CG 4.25Å; Y63-L69 HydrophobicContact CE1-CD1 3.65Å; Y63-L69 HydrophobicContact CE1-CD2 3.52Å; Y63-L69 HydrophobicContact CE1-CG 3.81Å; L69-T84 CarbonylContact O-C 3.48Å; L69-T84 WeakPolarHBondContact O-CA 3.35Å; L69-V85 HydrophobicContact CB-CG2 3.93Å; L69-V85 PolarHBondContact N-O 3.04Å; L69-V85 PolarHBondContact O-N 3.27Å; L69-W93 HydrophobicContact CB-CH2 4.49Å; L69-W93 HydrophobicContact CB-CZ3 4.47Å; L69-W93 HydrophobicContact CD1-CH2 3.41Å; L69-W93 VanDerWaalsContact CD1-CH2 3.41Å; L69-W93 HydrophobicContact CD1-CZ2 3.64Å; L69-W93 HydrophobicContact CD1-CZ3 4.11Å; L69-W93 HydrophobicContact CG-CH2 3.73Å; L69-W93 HydrophobicContact CG-CZ2 4.45Å; L69-W93 HydrophobicContact CG-CZ3 4.17Å
70T90.4Very high86Confident32 Ų3254.8 Ų54.820%0.19634%0.341CS..EExtended strand (participates in β ladder)trans-117.1124.2171.8-56.90000109.5L53 A83 T84L53-T70 HydrophobicContact CD1-CG2 3.99Å; L53-T70 PolarHBondContact N-O 3.37Å; T70-A83 WeakPolarHBondContact CA-O 3.33Å; T70-T84 PolarHBondContact OG1-OG1 2.95Å
71F89.3Confident86.4Confident10 Ų1053.1 Ų53.14%0.04435%0.346CS..EExtended strand (participates in β ladder)trans-91.1136.6176.4-62.9-89.9000110.2P44 V47 S51 L52 A83 V85 P97 P98P44-F71 HydrophobicContact CB-CE1 4.46Å; P44-F71 HydrophobicContact CB-CZ 3.9Å; P44-F71 HydrophobicContact CG-CE1 4.29Å; P44-F71 HydrophobicContact CG-CZ 3.86Å; V47-F71 HydrophobicContact CG2-CD1 3.68Å; V47-F71 HydrophobicContact CG2-CE1 3.85Å; V47-F71 HydrophobicContact CG2-CG 4.47Å; S51-F71 WeakPolarHBondContact O-CA 3.48Å; L52-F71 HydrophobicContact CD2-CD1 3.63Å; L52-F71 HydrophobicContact CD2-CE1 3.43Å; L52-F71 VanDerWaalsContact CD2-CE1 3.43Å; L52-F71 HydrophobicContact CD2-CE2 4.35Å; L52-F71 HydrophobicContact CD2-CG 4.18Å; L52-F71 HydrophobicContact CD2-CZ 3.82Å; L52-F71 HydrophobicContact CG-CD1 4.4Å; L52-F71 HydrophobicContact CG-CE1 4.21Å; F71-A83 PolarHBondContact N-O 3.49Å; F71-V85 HydrophobicContact CE2-CG1 4.37Å; F71-V85 HydrophobicContact CE2-CG2 3.82Å; F71-P97 HydrophobicContact CE1-CB 3.99Å; F71-P97 HydrophobicContact CE1-CG 4.34Å; F71-P97 HydrophobicContact CE2-CB 4.03Å; F71-P97 HydrophobicContact CE2-CG 4.36Å; F71-P97 HydrophobicContact CZ-CB 3.71Å; F71-P97 HydrophobicContact CZ-CG 3.8Å; F71-P98 HydrophobicContact CB-CG 3.84Å; F71-P98 HydrophobicContact CD2-CG 4.26Å; F71-P98 HydrophobicContact CG-CG 4.17Å
72G89.4Confident86.7Confident11 Ų1150.6 Ų50.611%0.11333%0.332CS..EExtended strand (participates in β ladder)trans-110.6149.2166.500000109.7G50 S51G50-G72 CarbonylContact C-O 3.51Å; G50-G72 WeakPolarHBondContact CA-O 3.42Å; S51-G72 PolarHBondContact N-O 3.08Å; S51-G72 PolarHBondContact O-N 2.92Å
73C90.3Very high86.9Confident29 Ų2949.1 Ų49.120%0.19632%0.323CS..EExtended strand (participates in β ladder)trans-97.1152.5170.8-63.40000110.8H49 T78 P79 C100H49-C73 WeakPolarHBondContact O-CA 3.44Å; C73-T78 VanDerWaalsContact SG-C 3.52Å; C73-P79 VanDerWaalsContact SG-N 3.38Å; C73-C100 WeakPolarHBondContact CA-SG 3.39Å; C73-C100 HydrophobicContact CB-CB 3.74Å; C73-C100 WeakPolarHBondContact CB-SG 3.3Å; C73-C100 VanDerWaalsContact SG-CA 3.51Å; C73-C100 WeakPolarHBondContact SG-CB 3.22Å; C73-C100 CovalentContact SG-SG 2.04Å; C73-C100 PolarHBondContact SG-SG 2.97Å
74D88.8Confident87.1Confident63 Ų6351.6 Ų51.634%0.33734%0.338SS..PPolyproline II helixtrans-63.1158.6178.3-68.5-17.8000111.5H49 G76 Y77H49-D74 VanDerWaalsContact CA-OD2 3.22Å; H49-D74 WeakPolarHBondContact CA-OD2 3.32Å; H49-D74 HydrophobicContact CB-CB 4.43Å; H49-D74 PolarHBondContact O-N 3.29Å; D74-G76 PolarHBondContact O-N 3.12Å; D74-Y77 HydrophobicContact CB-CD2 4.27Å; D74-Y77 WeakPolarHBondContact O-CB 3.47Å; D74-Y77 PolarHBondContact O-N 3.43Å
75P81.1Confident87.1Confident132 Ų13248.4 Ų48.486%0.85732%0.318SS*.THydrogen-bonded Turntrans-52.7125.5177.2-27.135.7000112.2
76G75.8Confident87.2Confident46 Ų4651.4 Ų51.447%0.47433%0.325SS..THydrogen-bonded Turntrans87.89.4-174.400000114.9D74 N103D74-G76 PolarHBondContact O-N 3.12Å; G76-N103 VanDerWaalsContact O-CB 3.27Å; G76-N103 WeakPolarHBondContact O-CB 3.35Å; G76-N103 PolarHBondContact O-N 3.1Å
77Y85.2Confident87.3Confident62 Ų6248.6 Ų48.624%0.24330%0.296CS..EExtended strand (participates in β ladder)trans-124.7155.9170.6-67.9-98.9000111.5H49 D74 C100 I101 K102H49-Y77 HydrophobicContact CB-CD1 3.79Å; H49-Y77 HydrophobicContact CB-CD2 3.86Å; H49-Y77 HydrophobicContact CB-CE1 3.87Å; H49-Y77 HydrophobicContact CB-CE2 3.91Å; H49-Y77 HydrophobicContact CB-CG 3.82Å; H49-Y77 AromaticContact CD2-CE2 4Å; H49-Y77 AromaticContact CD2-CZ 3.81Å; H49-Y77 AromaticContact CE1-CZ 3.86Å; H49-Y77 PolarHBondContact CE1-OH 3.36Å; H49-Y77 AromaticContact CG-CE1 3.64Å; H49-Y77 AromaticContact CG-CE2 3.8Å; H49-Y77 AromaticContact CG-CZ 3.47Å; H49-Y77 VanDerWaalsContact CG-CZ 3.47Å; H49-Y77 AromaticContact ND1-CE1 3.39Å; H49-Y77 WeakPolarHBondContact ND1-CE1 3.48Å; H49-Y77 AromaticContact ND1-CZ 3.51Å; D74-Y77 HydrophobicContact CB-CD2 4.27Å; D74-Y77 WeakPolarHBondContact O-CB 3.47Å; D74-Y77 PolarHBondContact O-N 3.43Å; Y77-C100 HydrophobicContact CD1-CB 4.41Å; Y77-C100 WeakPolarHBondContact CD1-O 3.49Å; Y77-I101 CarbonylContact C-O 3.18Å; Y77-I101 WeakPolarHBondContact CA-O 3.35Å; Y77-I101 WeakPolarHBondContact CB-O 3.3Å; Y77-I101 VanDerWaalsContact CD1-C 3.48Å; Y77-I101 WeakPolarHBondContact CD1-O 3.47Å; Y77-K102 VanDerWaalsContact CD1-CA 3.48Å; Y77-K102 HydrophobicContact CD1-CB 4.13Å; Y77-K102 HydrophobicContact CE1-CB 3.74Å; Y77-K102 HydrophobicContact CE1-CG 4.23Å
78T84Confident87.5Confident29 Ų2949.3 Ų49.318%0.17830%0.3CS..EExtended strand (participates in β ladder)trans-131.6146.7176.541.90000110.6C73 D80 C100 I101 N103C73-T78 VanDerWaalsContact SG-C 3.52Å; T78-D80 PolarHBondContact O-N 3.17Å; T78-C100 CarbonylContact O-C 3.59Å; T78-C100 WeakPolarHBondContact O-CA 3.25Å; T78-I101 PolarHBondContact N-O 3Å; T78-I101 VanDerWaalsContact O-CG1 3.26Å; T78-I101 WeakPolarHBondContact O-CG1 3.36Å; T78-I101 PolarHBondContact O-N 3.16Å; T78-N103 HydrophobicContact CG2-CB 4.12Å; T78-N103 WeakPolarHBondContact CG2-OD1 3.28Å
79P86.9Confident87.5Confident53 Ų5348.2 Ų48.234%0.34431%0.305SS..EExtended strand (participates in β ladder)trans-75.3126.6178.729-32.7000110.4C73 G81 A83 P98C73-P79 VanDerWaalsContact SG-N 3.38Å; P79-G81 PolarHBondContact O-N 3.29Å; P79-A83 HydrophobicContact CG-CB 4.35Å; P79-P98 HydrophobicContact CB-CB 4.09Å; P79-P98 HydrophobicContact CB-CG 4.32Å
80D85.4Confident87.5Confident98 Ų9854 Ų5452%0.52434%0.336SS..EExtended strand (participates in β ladder)trans-78.8102.2167.2-178.229.1000109.2T78 N99 I101T78-D80 PolarHBondContact O-N 3.17Å; D80-N99 HydrophobicContact CB-CB 4.41Å; D80-N99 WeakPolarHBondContact CB-O 3.14Å; D80-N99 PolarHBondContact N-O 2.8Å; D80-I101 HydrophobicContact CB-CG1 4.45Å; D80-I101 HydrophobicContact CB-CG2 4.06Å
81G80.6Confident87.3Confident44 Ų4453.3 Ų53.345%0.45434%0.335SS..SBendtrans93-163.7-178.600000115.1P79 A83P79-G81 PolarHBondContact O-N 3.29Å; G81-A83 PolarHBondContact O-N 3Å
82P85Confident87.3Confident75 Ų7557.2 Ų57.249%0.48736%0.359SS..  trans-65.6122.4-174.7-21.133.5000112.6T84P82-T84 PolarHBondContact O-N 3.49Å
83A90.1Very high87.4Confident29 Ų2958.8 Ų58.824%0.2436%0.362CS..SBendtrans-71.9-9.7177.900000114.5T70 F71 P79 G81T70-A83 WeakPolarHBondContact CA-O 3.33Å; F71-A83 PolarHBondContact N-O 3.49Å; P79-A83 HydrophobicContact CG-CB 4.35Å; G81-A83 PolarHBondContact O-N 3Å
84T90.9Very high87.5Confident54 Ų5459.2 Ų59.233%0.33137%0.365SS..EExtended strand (participates in β ladder)trans-123.1134.1-171.5-55.10000111.5Q68 L69 T70 P82Q68-T84 HydrophobicContact CG-CG2 3.57Å; L69-T84 CarbonylContact O-C 3.48Å; L69-T84 WeakPolarHBondContact O-CA 3.35Å; T70-T84 PolarHBondContact OG1-OG1 2.95Å; P82-T84 PolarHBondContact O-N 3.49Å
85V90.7Very high87.5Confident2 Ų263.9 Ų63.91%0.01238%0.378CS..EExtended strand (participates in β ladder)trans-128.3156.1176.1-560000110.4Q68 L69 F71 W93 R95Q68-V85 WeakPolarHBondContact CA-O 3.36Å; L69-V85 HydrophobicContact CB-CG2 3.93Å; L69-V85 PolarHBondContact N-O 3.04Å; L69-V85 PolarHBondContact O-N 3.27Å; F71-V85 HydrophobicContact CE2-CG1 4.37Å; F71-V85 HydrophobicContact CE2-CG2 3.82Å; V85-W93 HydrophobicContact CB-CE3 4.31Å; V85-W93 HydrophobicContact CG2-CD2 4.28Å; V85-W93 HydrophobicContact CG2-CE3 3.67Å; V85-W93 HydrophobicContact CG2-CZ3 4.05Å; V85-R95 HydrophobicContact CG1-CB 4.17Å
86F91.6Very high87.8Confident117 Ų11762.3 Ų62.351%0.51337%0.37SS..EExtended strand (participates in β ladder)trans-130.2149176.660.1-90.4000111.4S67 T88 S94S67-F86 CarbonylContact O-C 3.59Å; S67-F86 WeakPolarHBondContact O-CA 3.44Å; F86-T88 HydrophobicContact CE2-CG2 4.2Å; F86-S94 WeakPolarHBondContact CD1-OG 3.45Å; F86-S94 VanDerWaalsContact CE1-CB 3.41Å; F86-S94 VanDerWaalsContact CZ-CB 3.44Å; F86-S94 PolarHBondContact N-OG 2.94Å; F86-S94 WeakPolarHBondContact O-CB 3.37Å; F86-S94 PolarHBondContact O-N 2.76Å; F86-S94 PolarHBondContact O-OG 3.4Å
87C91.2Very high88.4Confident3 Ų361.9 Ų61.92%0.0236%0.359CS..BIsolated β-bridgetrans-81.5125.3176.1-174.80000110.2C41 Y63 G66 S67 W93C41-C87 HydrophobicContact CB-CB 3.92Å; C41-C87 WeakPolarHBondContact CB-SG 3.23Å; C41-C87 PolarHBondContact N-SG 3.15Å; C41-C87 WeakPolarHBondContact SG-CA 3.44Å; C41-C87 WeakPolarHBondContact SG-CB 3.3Å; C41-C87 CovalentContact SG-SG 2.03Å; C41-C87 PolarHBondContact SG-SG 3.38Å; Y63-C87 PolarHBondContact O-SG 2.69Å; Y63-C87 VanDerWaalsContact O-SG 3.36Å; G66-C87 PolarHBondContact N-O 3Å; S67-C87 PolarHBondContact O-N 2.73Å; C87-W93 HydrophobicContact CB-CE3 4.17Å; C87-W93 HydrophobicContact CB-CH2 4.22Å; C87-W93 HydrophobicContact CB-CZ3 3.84Å
88T91.5Very high88.6Confident32 Ų3259.3 Ų59.320%0.19635%0.35CS..  trans-77.6168.4178.3700000112.1P65 F86 D90 G91 V92P65-T88 WeakPolarHBondContact CB-O 3.13Å; F86-T88 HydrophobicContact CE2-CG2 4.2Å; T88-D90 PolarHBondContact O-N 2.73Å; T88-D90 VanDerWaalsContact O-N 3.13Å; T88-D90 PolarHBondContact OG1-N 3.16Å; T88-G91 PolarHBondContact O-N 3.31Å; T88-V92 WeakPolarHBondContact CG2-O 3.42Å; T88-V92 PolarHBondContact N-O 3.05Å; T88-V92 PolarHBondContact OG1-N 3.04Å; T88-V92 PolarHBondContact OG1-O 2.76Å; T88-V92 VanDerWaalsContact OG1-O 3.07Å
89S89.6Confident88.8Confident92 Ų9263.2 Ų63.264%0.64337%0.37SS*.THydrogen-bonded Turntrans-52.5-27168.445.60000113.5G91S89-G91 VanDerWaalsContact C-N 3.31Å; S89-G91 PolarHBondContact O-N 2.63Å
90D89Confident88.9Confident121 Ų12161.5 Ų61.565%0.64736%0.359SS*.THydrogen-bonded Turntrans-92.55.1-169.3-38.8-35.5000111.8T88 V92T88-D90 PolarHBondContact O-N 2.73Å; T88-D90 VanDerWaalsContact O-N 3.13Å; T88-D90 PolarHBondContact OG1-N 3.16Å; D90-V92 VanDerWaalsContact C-N 3.35Å
91G87Confident88.9Confident18 Ų1860.8 Ų60.819%0.18635%0.354CS..SBendtrans7718.1-179.900000114.6S39 C41 T88 S89S39-G91 WeakPolarHBondContact O-CA 3.45Å; C41-G91 WeakPolarHBondContact CA-O 3.49Å; T88-G91 PolarHBondContact O-N 3.31Å; S89-G91 VanDerWaalsContact C-N 3.31Å; S89-G91 PolarHBondContact O-N 2.63Å
92V89.9Confident89Confident91 Ų9164.2 Ų64.255%0.55236%0.357SS*.  trans-116.6142.6-177.9-174.20000110.1C41 T88 D90C41-V92 PolarHBondContact SG-N 3.48Å; C41-V92 PolarHBondContact SG-O 2.91Å; C41-V92 VanDerWaalsContact SG-O 3.39Å; T88-V92 WeakPolarHBondContact CG2-O 3.42Å; T88-V92 PolarHBondContact N-O 3.05Å; T88-V92 PolarHBondContact OG1-N 3.04Å; T88-V92 PolarHBondContact OG1-O 2.76Å; T88-V92 VanDerWaalsContact OG1-O 3.07Å; D90-V92 VanDerWaalsContact C-N 3.35Å
93W90.8Very high88.6Confident44 Ų4461.9 Ų61.917%0.16734%0.34CS..BIsolated β-bridgetrans-68.7137172.2-70.2110.7000110.8C41 A42 Y63 L69 V85 C87 R95C41-W93 HydrophobicContact CB-CD2 3.92Å; C41-W93 VanDerWaalsContact CB-CE2 3.46Å; C41-W93 HydrophobicContact CB-CG 4.29Å; C41-W93 HydrophobicContact CB-CH2 4.31Å; C41-W93 HydrophobicContact CB-CZ2 3.68Å; A42-W93 PolarHBondContact O-NE1 2.89Å; Y63-W93 AromaticContact CD1-CH2 3.77Å; Y63-W93 HydrophobicContact CD1-CH2 3.77Å; Y63-W93 HydrophobicContact CD1-CZ2 4.1Å; Y63-W93 HydrophobicContact CD2-CH2 4.29Å; Y63-W93 AromaticContact CD2-CZ2 3.78Å; Y63-W93 HydrophobicContact CD2-CZ2 3.78Å; Y63-W93 HydrophobicContact CE1-CH2 4.42Å; Y63-W93 HydrophobicContact CE2-CZ2 4.39Å; Y63-W93 AromaticContact CG-CH2 3.67Å; Y63-W93 HydrophobicContact CG-CH2 3.67Å; Y63-W93 AromaticContact CG-CZ2 3.62Å; Y63-W93 HydrophobicContact CG-CZ2 3.62Å; L69-W93 HydrophobicContact CB-CH2 4.49Å; L69-W93 HydrophobicContact CB-CZ3 4.47Å; L69-W93 HydrophobicContact CD1-CH2 3.41Å; L69-W93 VanDerWaalsContact CD1-CH2 3.41Å; L69-W93 HydrophobicContact CD1-CZ2 3.64Å; L69-W93 HydrophobicContact CD1-CZ3 4.11Å; L69-W93 HydrophobicContact CG-CH2 3.73Å; L69-W93 HydrophobicContact CG-CZ2 4.45Å; L69-W93 HydrophobicContact CG-CZ3 4.17Å; V85-W93 HydrophobicContact CB-CE3 4.31Å; V85-W93 HydrophobicContact CG2-CD2 4.28Å; V85-W93 HydrophobicContact CG2-CE3 3.67Å; V85-W93 HydrophobicContact CG2-CZ3 4.05Å; C87-W93 HydrophobicContact CB-CE3 4.17Å; C87-W93 HydrophobicContact CB-CH2 4.22Å; C87-W93 HydrophobicContact CB-CZ3 3.84Å; W93-R95 WeakPolarHBondContact CB-O 3.29Å; W93-R95 PolarHBondContact O-N 3.36Å
94S91.9Very high88.1Confident38 Ų3865.1 Ų65.127%0.26635%0.347SS..SBendtrans-53.5-30.9179.162.20000114.3F86F86-S94 WeakPolarHBondContact CD1-OG 3.45Å; F86-S94 VanDerWaalsContact CE1-CB 3.41Å; F86-S94 VanDerWaalsContact CZ-CB 3.44Å; F86-S94 PolarHBondContact N-OG 2.94Å; F86-S94 WeakPolarHBondContact O-CB 3.37Å; F86-S94 PolarHBondContact O-N 2.76Å; F86-S94 PolarHBondContact O-OG 3.4Å
95R88.8Confident87.8Confident161 Ų16166.2 Ų66.261%0.60835%0.353SS*.SBendtrans-153.7162.2-179.1-60.9-175.3-176.7-111.8-4109.1V85 W93V85-R95 HydrophobicContact CG1-CB 4.17Å; W93-R95 WeakPolarHBondContact CB-O 3.29Å; W93-R95 PolarHBondContact O-N 3.36Å
96S88.9Confident87.7Confident99 Ų9966.2 Ų66.269%0.69235%0.353SS*.PPolyproline II helixtrans-66.1156.3166.5540000111.5
97P86.4Confident87.5Confident37 Ų3764.8 Ų64.824%0.2436%0.358CS..PPolyproline II helixtrans-55.1149167.8-24.335.1000112.1P44 V47 F71P44-P97 HydrophobicContact CB-CG 3.89Å; V47-P97 HydrophobicContact CG2-CB 3.57Å; F71-P97 HydrophobicContact CE1-CB 3.99Å; F71-P97 HydrophobicContact CE1-CG 4.34Å; F71-P97 HydrophobicContact CE2-CB 4.03Å; F71-P97 HydrophobicContact CE2-CG 4.36Å; F71-P97 HydrophobicContact CZ-CB 3.71Å; F71-P97 HydrophobicContact CZ-CG 3.8Å
98P89.8Confident87.3Confident8 Ų869.6 Ų69.65%0.05239%0.389CS..PPolyproline II helixtrans-72155.1176.532.6-37.1000111.2V47 F71 P79V47-P98 VanDerWaalsContact CG1-O 3.24Å; V47-P98 WeakPolarHBondContact CG1-O 3.21Å; F71-P98 HydrophobicContact CB-CG 3.84Å; F71-P98 HydrophobicContact CD2-CG 4.26Å; F71-P98 HydrophobicContact CG-CG 4.17Å; P79-P98 HydrophobicContact CB-CB 4.09Å; P79-P98 HydrophobicContact CB-CG 4.32Å
99N89.1Confident87.1Confident112 Ų11268.8 Ų68.860%0.59938%0.384SS*.EExtended strand (participates in β ladder)trans-86.3133.1168.3-65.7-56.3000109.4D80 I101D80-N99 HydrophobicContact CB-CB 4.41Å; D80-N99 WeakPolarHBondContact CB-O 3.14Å; D80-N99 PolarHBondContact N-O 2.8Å; N99-I101 PolarHBondContact O-N 3.23Å
100C88.8Confident86.9Confident16 Ų1669.1 Ų69.111%0.10838%0.383CS..EExtended strand (participates in β ladder)trans-85.4104.1171.2-69.10000109.7V47 Q48 H49 C73 Y77 T78V47-C100 HydrophobicContact CG1-CB 4.28Å; Q48-C100 WeakPolarHBondContact O-CB 3.48Å; H49-C100 HydrophobicContact CB-CB 4.28Å; H49-C100 WeakPolarHBondContact O-CB 3Å; H49-C100 PolarHBondContact O-SG 3.35Å; H49-C100 VanDerWaalsContact O-SG 3.34Å; C73-C100 WeakPolarHBondContact CA-SG 3.39Å; C73-C100 HydrophobicContact CB-CB 3.74Å; C73-C100 WeakPolarHBondContact CB-SG 3.3Å; C73-C100 VanDerWaalsContact SG-CA 3.51Å; C73-C100 WeakPolarHBondContact SG-CB 3.22Å; C73-C100 CovalentContact SG-SG 2.04Å; C73-C100 PolarHBondContact SG-SG 2.97Å; Y77-C100 HydrophobicContact CD1-CB 4.41Å; Y77-C100 WeakPolarHBondContact CD1-O 3.49Å; T78-C100 CarbonylContact O-C 3.59Å; T78-C100 WeakPolarHBondContact O-CA 3.25Å
101I84.7Confident86.9Confident84 Ų8469.1 Ų69.143%0.43138%0.379SS..EExtended strand (participates in β ladder)trans-84.3143.6176.955.3167.2000110.4Y77 T78 D80 N99 N103Y77-I101 CarbonylContact C-O 3.18Å; Y77-I101 WeakPolarHBondContact CA-O 3.35Å; Y77-I101 WeakPolarHBondContact CB-O 3.3Å; Y77-I101 VanDerWaalsContact CD1-C 3.48Å; Y77-I101 WeakPolarHBondContact CD1-O 3.47Å; T78-I101 PolarHBondContact N-O 3Å; T78-I101 VanDerWaalsContact O-CG1 3.26Å; T78-I101 WeakPolarHBondContact O-CG1 3.36Å; T78-I101 PolarHBondContact O-N 3.16Å; D80-I101 HydrophobicContact CB-CG1 4.45Å; D80-I101 HydrophobicContact CB-CG2 4.06Å; N99-I101 PolarHBondContact O-N 3.23Å; I101-N103 PolarHBondContact O-N 2.78Å
102K82.8Confident87.1Confident116 Ų11668.8 Ų68.850%0.50437%0.373SS..EExtended strand (participates in β ladder)trans-65.2123.2178.6-172.7174.4-179.7-179.90108.7Y77 Y104Y77-K102 VanDerWaalsContact CD1-CA 3.48Å; Y77-K102 HydrophobicContact CD1-CB 4.13Å; Y77-K102 HydrophobicContact CE1-CB 3.74Å; Y77-K102 HydrophobicContact CE1-CG 4.23Å; K102-Y104 VanDerWaalsContact C-N 3.32Å; K102-Y104 HydrophobicContact CB-CD2 4.41Å; K102-Y104 HydrophobicContact CB-CE2 3.96Å; K102-Y104 HydrophobicContact CD-CE1 4.1Å; K102-Y104 HydrophobicContact CG-CE2 4.41Å; K102-Y104 WeakPolarHBondContact O-CD2 3.41Å; K102-Y104 PolarHBondContact O-N 3.37Å
103N78.1Confident87.2Confident26 Ų2672.5 Ų72.514%0.13939%0.385CS..  trans-80.285-178.7-163.853000108.7G76 T78 I101 V105 I128G76-N103 VanDerWaalsContact O-CB 3.27Å; G76-N103 WeakPolarHBondContact O-CB 3.35Å; G76-N103 PolarHBondContact O-N 3.1Å; T78-N103 HydrophobicContact CG2-CB 4.12Å; T78-N103 WeakPolarHBondContact CG2-OD1 3.28Å; I101-N103 PolarHBondContact O-N 2.78Å; N103-V105 WeakPolarHBondContact ND2-CG2 3.33Å; N103-V105 PolarHBondContact O-N 3.09Å; N103-I128 WeakPolarHBondContact OD1-CG2 3.2Å
104Y79.6Confident87.3Confident97 Ų9773.7 Ų73.738%0.3839%0.394SS..  trans-69102172.4-59.9-88.6000109K102 I128 H129 N154K102-Y104 VanDerWaalsContact C-N 3.32Å; K102-Y104 HydrophobicContact CB-CD2 4.41Å; K102-Y104 HydrophobicContact CB-CE2 3.96Å; K102-Y104 HydrophobicContact CD-CE1 4.1Å; K102-Y104 HydrophobicContact CG-CE2 4.41Å; K102-Y104 WeakPolarHBondContact O-CD2 3.41Å; K102-Y104 PolarHBondContact O-N 3.37Å; Y104-I128 CarbonylContact O-C 3.55Å; Y104-I128 WeakPolarHBondContact O-CA 3.41Å; Y104-H129 PolarHBondContact O-N 2.77Å; Y104-N154 HydrophobicContact CD1-CB 4.32Å; Y104-N154 WeakPolarHBondContact CD1-O 3.01Å; Y104-N154 HydrophobicContact CG-CB 4.47Å
105V84.4Confident87.4Confident77 Ų7772.2 Ų72.247%0.46739%0.385SS..BIsolated β-bridgetrans-95121.1179.3-177.70000108.7N103 L127N103-V105 WeakPolarHBondContact ND2-CG2 3.33Å; N103-V105 PolarHBondContact O-N 3.09Å; V105-L127 CarbonylContact C-O 3.36Å; V105-L127 WeakPolarHBondContact CA-O 3.44Å
106C87.4Confident87.6Confident1 Ų164.6 Ų64.61%0.00736%0.357CS..PPolyproline II helixtrans-73.8139.8168.8-65.20000110.5L127 C152 G155 E156 W157C106-L127 HydrophobicContact CB-CB 4.44Å; C106-L127 PolarHBondContact N-O 2.82Å; C106-C152 HydrophobicContact CB-CB 3.89Å; C106-C152 WeakPolarHBondContact CB-SG 3.34Å; C106-C152 WeakPolarHBondContact SG-CA 3.43Å; C106-C152 WeakPolarHBondContact SG-CB 3.34Å; C106-C152 CovalentContact SG-SG 2.03Å; C106-C152 PolarHBondContact SG-SG 2.89Å; C106-G155 WeakPolarHBondContact CA-O 3.48Å; C106-G155 VanDerWaalsContact SG-CA 3.57Å; C106-E156 PolarHBondContact SG-N 2.8Å; C106-E156 PolarHBondContact SG-O 3.38Å; C106-W157 HydrophobicContact CB-CD2 4.18Å; C106-W157 HydrophobicContact CB-CH2 4.21Å; C106-W157 HydrophobicContact CB-CZ2 3.6Å
107S87.4Confident87.8Confident88 Ų8862.5 Ų62.562%0.61533%0.334SS*.PPolyproline II helixtrans-58.1142.6171.1-65.10000110.5W157S107-W157 PolarHBondContact O-NE1 3.3Å
108P87.8Confident88.1Confident103 Ų10366.4 Ų66.467%0.66934%0.344SS*.PPolyproline II helixtrans-50.5129.3173.5-28.236.1000111.3
109P86.6Confident88.2Confident15 Ų1566 Ų6610%0.09734%0.342CS..PPolyproline II helixtrans-71.3153.9-178.434.5-40.4000110.3Q111 Y117 I133 Y135 W157P109-Q111 PolarHBondContact O-N 2.88Å; P109-Y117 HydrophobicContact CG-CD1 3.95Å; P109-Y117 HydrophobicContact CG-CD2 4.19Å; P109-Y117 HydrophobicContact CG-CE1 3.6Å; P109-Y117 HydrophobicContact CG-CE2 3.85Å; P109-Y117 HydrophobicContact CG-CG 4.23Å; P109-I133 HydrophobicContact CB-CD1 3.8Å; P109-I133 HydrophobicContact CG-CD1 3.52Å; P109-Y135 WeakPolarHBondContact CB-OH 3.46Å; P109-W157 HydrophobicContact CG-CZ2 4.42Å
110T86.6Confident88.2Confident99 Ų9964.3 Ų64.361%0.60733%0.33SS*.PPolyproline II helixtrans-63.2124.5173.4-50.30000110Y135T110-Y135 PolarHBondContact O-OH 2.03Å
111Q88.6Confident88.1Confident121 Ų12168.4 Ų68.457%0.56536%0.356SS*.PPolyproline II helixtrans-77.6131.8175.1-167.3171-14.400110.1P109 G115 Y117P109-Q111 PolarHBondContact O-N 2.88Å; Q111-G115 PolarHBondContact NE2-O 2.92Å; Q111-Y117 HydrophobicContact CB-CE1 4.2Å; Q111-Y117 HydrophobicContact CG-CD1 4.4Å; Q111-Y117 HydrophobicContact CG-CE1 4.43Å
112P90.9Very high88.1Confident11 Ų1169.3 Ų69.37%0.07137%0.365CS..PPolyproline II helixtrans-68.6142.917428.9-35.1000110.5G115 Y135P112-G115 PolarHBondContact O-N 3.46Å; P112-Y135 HydrophobicContact CG-CD1 4.07Å; P112-Y135 HydrophobicContact CG-CE1 4.5Å
113E91.8Very high88.2Confident169 Ų16967.8 Ų67.879%0.7937%0.368SS*.THydrogen-bonded Turntrans-60143.2163.6-63.2-176.116200109.5G115 C165E113-G115 VanDerWaalsContact C-N 3.31Å; E113-G115 PolarHBondContact O-N 3.42Å; E113-C165 WeakPolarHBondContact O-CB 3.27Å
114N93.4Very high88.4Confident69 Ų6969.4 Ų69.437%0.36938%0.38SS..THydrogen-bonded Turntrans54.244.4-175-56.7115.1000113.6D138 Y141 C165N114-D138 VanDerWaalsContact C-CG 3.42Å; N114-D138 WeakPolarHBondContact CA-OD2 3.48Å; N114-D138 PolarHBondContact O-N 3.11Å; N114-Y141 HydrophobicContact CB-CD1 3.43Å; N114-Y141 VanDerWaalsContact CB-CD1 3.43Å; N114-Y141 HydrophobicContact CB-CD2 3.9Å; N114-Y141 HydrophobicContact CB-CE1 3.36Å; N114-Y141 HydrophobicContact CB-CE2 3.85Å; N114-Y141 HydrophobicContact CB-CG 3.72Å; N114-Y141 PolarHBondContact ND2-OH 3.16Å; N114-Y141 WeakPolarHBondContact OD1-CE1 3.19Å; N114-Y141 PolarHBondContact OD1-OH 2.87Å; N114-C165 WeakPolarHBondContact O-CB 3.07Å
115G93.5Very high88.4Confident8 Ų872.5 Ų72.58%0.08240%0.398CS..EExtended strand (participates in β ladder)trans-179.6-162.1175.400000113.4Q111 P112 E113 F136 D138Q111-G115 PolarHBondContact NE2-O 2.92Å; P112-G115 PolarHBondContact O-N 3.46Å; E113-G115 VanDerWaalsContact C-N 3.31Å; E113-G115 PolarHBondContact O-N 3.42Å; G115-F136 VanDerWaalsContact CA-O 3.3Å; G115-F136 WeakPolarHBondContact CA-O 3.15Å; G115-D138 PolarHBondContact N-OD2 2.86Å
116G92.6Very high88.2Confident0 Ų077.2 Ų77.20%041%0.407CS..EExtended strand (participates in β ladder)trans-167.6-166.9-178.900000113.5Y135 F136G116-Y135 CarbonylContact O-C 3.46Å; G116-Y135 WeakPolarHBondContact O-CA 3.34Å; G116-F136 VanDerWaalsContact C-CD1 3.5Å; G116-F136 PolarHBondContact N-O 3.41Å; G116-F136 WeakPolarHBondContact O-CD1 3.08Å; G116-F136 PolarHBondContact O-N 2.87Å
117Y92.6Very high88.2Confident56 Ų5677.7 Ų77.722%0.2241%0.41CS..EExtended strand (participates in β ladder)trans-138.7156.5170.160.3-92.4000111.8P109 Q111 I133 E134 Y135P109-Y117 HydrophobicContact CG-CD1 3.95Å; P109-Y117 HydrophobicContact CG-CD2 4.19Å; P109-Y117 HydrophobicContact CG-CE1 3.6Å; P109-Y117 HydrophobicContact CG-CE2 3.85Å; P109-Y117 HydrophobicContact CG-CG 4.23Å; Q111-Y117 HydrophobicContact CB-CE1 4.2Å; Q111-Y117 HydrophobicContact CG-CD1 4.4Å; Q111-Y117 HydrophobicContact CG-CE1 4.43Å; Y117-I133 HydrophobicContact CD2-CB 4.45Å; Y117-I133 HydrophobicContact CD2-CG2 4.32Å; Y117-E134 CarbonylContact C-O 3.56Å; Y117-E134 WeakPolarHBondContact CA-O 3.29Å; Y117-Y135 HydrophobicContact CD1-CE1 4.2Å
118R92.9Very high88.1Confident118 Ų11876.3 Ų76.345%0.44540%0.395SS..EExtended strand (participates in β ladder)trans-122.7133.4178.5-62.1169.365.8-118.61.1108.3I133 E134 F136R118-I133 CarbonylContact O-C 3.6Å; R118-I133 VanDerWaalsContact O-CA 3.29Å; R118-I133 WeakPolarHBondContact O-CA 3.18Å; R118-E134 PolarHBondContact N-O 2.89Å; R118-E134 IonicContact NH1-OE2 2.89Å; R118-E134 PolarHBondContact NH1-OE2 3.41Å; R118-E134 PolarHBondContact O-N 2.74Å; R118-F136 HydrophobicContact CG-CD1 3.91Å; R118-F136 HydrophobicContact CG-CE1 3.84Å
119C92.4Very high88Confident1 Ų174.8 Ų74.81%0.00738%0.379CS..EExtended strand (participates in β ladder)trans-94.5147.8180-48.80000112.1P121 T122 C124 L127 T131 V132 I133C119-P121 CarbonylContact C-O 3.52Å; C119-P121 CarbonylContact O-C 3.59Å; C119-P121 VanDerWaalsContact O-C 3.25Å; C119-T122 WeakPolarHBondContact O-CG2 3.15Å; C119-T122 PolarHBondContact O-N 2.76Å; C119-C124 HydrophobicContact CB-CB 3.96Å; C119-C124 WeakPolarHBondContact CB-SG 3.13Å; C119-C124 PolarHBondContact N-SG 2.94Å; C119-C124 VanDerWaalsContact N-SG 3.43Å; C119-C124 VanDerWaalsContact SG-CA 3.6Å; C119-C124 WeakPolarHBondContact SG-CB 3.43Å; C119-C124 CovalentContact SG-SG 2.03Å; C119-C124 PolarHBondContact SG-SG 2.8Å; C119-L127 HydrophobicContact CB-CD2 4.46Å; C119-T131 HydrophobicContact CB-CG2 4.42Å; C119-V132 CarbonylContact C-O 3.59Å; C119-I133 HydrophobicContact CB-CG2 4.31Å
120H90Very high87.9Confident76 Ų7679 Ų7935%0.35240%0.4SS..EExtended strand (participates in β ladder)trans-126.3109.1174.4-64.7-80.6000107.6V132H120-V132 HydrophobicContact CB-CB 4.36Å; H120-V132 PolarHBondContact N-O 2.78Å; H120-V132 PolarHBondContact O-N 3.49Å
121P85.3Confident88Confident101 Ų10174.5 Ų74.566%0.65637%0.372SS*.SBendcis-70.1155.2230.6-36000114.1C119C119-P121 CarbonylContact C-O 3.52Å; C119-P121 CarbonylContact O-C 3.59Å; C119-P121 VanDerWaalsContact O-C 3.25Å
122T85.4Confident88.2Confident103 Ų10370.9 Ų70.963%0.63236%0.359SS*.SBendtrans-85151.2165.744.80000110.5C119C119-T122 WeakPolarHBondContact O-CG2 3.15Å; C119-T122 PolarHBondContact O-N 2.76Å
123P84.4Confident88.3Confident85 Ų8570.4 Ų70.455%0.55236%0.355SS*.SBendcis-82.6166.5-8.535.2-37.2000113.3H125P123-H125 VanDerWaalsContact CG-CD2 3.46Å; P123-H125 WeakPolarHBondContact CG-CD2 3Å; P123-H125 WeakPolarHBondContact CG-NE2 2.99Å; P123-H125 PolarHBondContact O-N 2.71Å
124C82.7Confident88.3Confident59 Ų5963.9 Ų63.940%0.39933%0.325SS..  trans-68.243.3-179.1-62.30000115.5C119C119-C124 HydrophobicContact CB-CB 3.96Å; C119-C124 WeakPolarHBondContact CB-SG 3.13Å; C119-C124 PolarHBondContact N-SG 2.94Å; C119-C124 VanDerWaalsContact N-SG 3.43Å; C119-C124 VanDerWaalsContact SG-CA 3.6Å; C119-C124 WeakPolarHBondContact SG-CB 3.43Å; C119-C124 CovalentContact SG-SG 2.03Å; C119-C124 PolarHBondContact SG-SG 2.8Å
125H79.7Confident88.3Confident162 Ų16261.2 Ų61.275%0.7531%0.31SS*.SBendtrans-77-33.1-176.6-71.3-26.9000114.4P123P123-H125 VanDerWaalsContact CG-CD2 3.46Å; P123-H125 WeakPolarHBondContact CG-CD2 3Å; P123-H125 WeakPolarHBondContact CG-NE2 2.99Å; P123-H125 PolarHBondContact O-N 2.71Å
126R79.9Confident88.3Confident177 Ų17764.8 Ų64.867%0.66832%0.323SS*.  trans-146.4120.3178.3-61.8-176.5-178.9174.10.5109.2I128R126-I128 VanDerWaalsContact C-N 3.32Å; R126-I128 HydrophobicContact CB-CG2 3.77Å; R126-I128 PolarHBondContact O-N 2.88Å; R126-I128 VanDerWaalsContact O-N 3.16Å
127L86.9Confident88.4Confident11 Ų1166.1 Ų66.16%0.05833%0.332CS..  trans-89.873.8179.2-52.9180000108.7V105 C106 C119 T131 C152 W157V105-L127 CarbonylContact C-O 3.36Å; V105-L127 WeakPolarHBondContact CA-O 3.44Å; C106-L127 HydrophobicContact CB-CB 4.44Å; C106-L127 PolarHBondContact N-O 2.82Å; C119-L127 HydrophobicContact CB-CD2 4.46Å; L127-T131 HydrophobicContact CD2-CG2 4.03Å; L127-C152 PolarHBondContact O-SG 3.46Å; L127-W157 HydrophobicContact CB-CH2 4.22Å; L127-W157 HydrophobicContact CB-CZ2 4.24Å; L127-W157 HydrophobicContact CD1-CH2 4.14Å; L127-W157 HydrophobicContact CD1-CZ2 3.75Å
128I86.1Confident88.5Confident59 Ų5966.8 Ų66.830%0.30334%0.34SS..BIsolated β-bridgetrans-83.8165.5-176.567.2175.1000111.2N103 Y104 R126 N130 T131 C152N103-I128 WeakPolarHBondContact OD1-CG2 3.2Å; Y104-I128 CarbonylContact O-C 3.55Å; Y104-I128 WeakPolarHBondContact O-CA 3.41Å; R126-I128 VanDerWaalsContact C-N 3.32Å; R126-I128 HydrophobicContact CB-CG2 3.77Å; R126-I128 PolarHBondContact O-N 2.88Å; R126-I128 VanDerWaalsContact O-N 3.16Å; I128-N130 PolarHBondContact O-N 2.88Å; I128-T131 PolarHBondContact N-OG1 3.3Å; I128-T131 WeakPolarHBondContact O-CB 3.46Å; I128-T131 PolarHBondContact O-N 3.3Å; I128-T131 PolarHBondContact O-OG1 3.48Å; I128-C152 VanDerWaalsContact C-SG 3.59Å; I128-C152 WeakPolarHBondContact O-CB 3.31Å; I128-C152 PolarHBondContact O-SG 3.42Å
129H84.8Confident88.5Confident71 Ų7170.5 Ų70.533%0.32936%0.362SS..THydrogen-bonded Turntrans-43.6134.8171.2-178.8105.9000112.1Y104 T131 C152 N154Y104-H129 PolarHBondContact O-N 2.77Å; H129-T131 VanDerWaalsContact C-N 3.26Å; H129-T131 PolarHBondContact O-N 3.43Å; H129-C152 CarbonylContact C-O 3.58Å; H129-C152 WeakPolarHBondContact CA-O 3.18Å; H129-N154 PolarHBondContact CE1-OD1 2.79Å; H129-N154 PolarHBondContact ND1-N 2.03Å; H129-N154 PolarHBondContact ND1-OD1 3.46Å
130N85.9Confident88.4Confident103 Ų10372.7 Ų72.755%0.55138%0.384SS*.THydrogen-bonded Turntrans65.79.3-170.9-62-28.5000116.6I128 V132 C152I128-N130 PolarHBondContact O-N 2.88Å; N130-V132 PolarHBondContact O-N 3.23Å; N130-C152 PolarHBondContact N-O 2.03Å
131T88.9Confident88.5Confident4 Ų472.4 Ų72.43%0.02538%0.381CS..  trans-67.5127.1164-55.30000109C119 L127 I128 H129 C152C119-T131 HydrophobicContact CB-CG2 4.42Å; L127-T131 HydrophobicContact CD2-CG2 4.03Å; I128-T131 PolarHBondContact N-OG1 3.3Å; I128-T131 WeakPolarHBondContact O-CB 3.46Å; I128-T131 PolarHBondContact O-N 3.3Å; I128-T131 PolarHBondContact O-OG1 3.48Å; H129-T131 VanDerWaalsContact C-N 3.26Å; H129-T131 PolarHBondContact O-N 3.43Å; T131-C152 PolarHBondContact O-N 3.13Å
132V92Very high88.7Confident46 Ų4671 Ų7128%0.27937%0.37SS..EExtended strand (participates in β ladder)trans-102.4137.1172.2178.90000108.6C119 H120 N130 Y149 L150 T151C119-V132 CarbonylContact C-O 3.59Å; H120-V132 HydrophobicContact CB-CB 4.36Å; H120-V132 PolarHBondContact N-O 2.78Å; H120-V132 PolarHBondContact O-N 3.49Å; N130-V132 PolarHBondContact O-N 3.23Å; V132-Y149 HydrophobicContact CG1-CD1 4.18Å; V132-L150 CarbonylContact C-O 3.59Å; V132-L150 WeakPolarHBondContact CA-O 3.22Å; V132-T151 HydrophobicContact CG2-CG2 4.16Å
133I92.8Very high89Confident0 Ų068.9 Ų68.90%035%0.354CS..EExtended strand (participates in β ladder)trans-111.8144.9168.463.3174.9000110.2P109 Y117 R118 C119 Y135 Y149 L150 W157P109-I133 HydrophobicContact CB-CD1 3.8Å; P109-I133 HydrophobicContact CG-CD1 3.52Å; Y117-I133 HydrophobicContact CD2-CB 4.45Å; Y117-I133 HydrophobicContact CD2-CG2 4.32Å; R118-I133 CarbonylContact O-C 3.6Å; R118-I133 VanDerWaalsContact O-CA 3.29Å; R118-I133 WeakPolarHBondContact O-CA 3.18Å; C119-I133 HydrophobicContact CB-CG2 4.31Å; I133-Y135 HydrophobicContact CD1-CE2 3.88Å; I133-Y135 HydrophobicContact CG1-CE2 4.43Å; I133-Y149 WeakPolarHBondContact O-CA 3.46Å; I133-L150 HydrophobicContact CD1-CB 3.97Å; I133-L150 HydrophobicContact CD1-CD1 4.17Å; I133-L150 HydrophobicContact CD1-CG 4.4Å; I133-L150 HydrophobicContact CG1-CB 3.76Å; I133-L150 PolarHBondContact N-O 3.04Å; I133-L150 PolarHBondContact O-N 3.04Å; I133-L150 VanDerWaalsContact O-N 3.11Å; I133-W157 HydrophobicContact CD1-CE3 4.45Å; I133-W157 HydrophobicContact CD1-CH2 4.03Å; I133-W157 HydrophobicContact CD1-CZ2 4.38Å; I133-W157 HydrophobicContact CD1-CZ3 4.06Å; I133-W157 HydrophobicContact CG1-CH2 4.29Å; I133-W157 HydrophobicContact CG1-CZ3 4.01Å; I133-W157 HydrophobicContact CG2-CH2 3.85Å; I133-W157 HydrophobicContact CG2-CZ3 4.2Å
134E92.8Very high89.2Confident32 Ų3270.6 Ų70.615%0.1535%0.353CS..EExtended strand (participates in β ladder)trans-114.6118.7172.5178.4174.4-126.600109Y117 R118 K148 Y149Y117-E134 CarbonylContact C-O 3.56Å; Y117-E134 WeakPolarHBondContact CA-O 3.29Å; R118-E134 PolarHBondContact N-O 2.89Å; R118-E134 IonicContact NH1-OE2 2.89Å; R118-E134 PolarHBondContact NH1-OE2 3.41Å; R118-E134 PolarHBondContact O-N 2.74Å; E134-K148 HydrophobicContact CG-CD 4.47Å; E134-K148 IonicContact OE1-NZ 2.71Å; E134-K148 PolarHBondContact OE1-NZ 2.87Å; E134-Y149 HydrophobicContact CB-CD1 3.75Å; E134-Y149 HydrophobicContact CB-CE1 3.58Å; E134-Y149 HydrophobicContact CG-CD1 4.03Å; E134-Y149 HydrophobicContact CG-CE1 3.5Å; E134-Y149 VanDerWaalsContact CG-CE1 3.5Å; E134-Y149 WeakPolarHBondContact OE1-CE1 3.27Å; E134-Y149 PolarHBondContact OE1-OH 2.86Å
135Y93.1Very high89.2Confident14 Ų1469.4 Ų69.46%0.05535%0.351CS..EExtended strand (participates in β ladder)trans-77.5150.1171.2-72.3-89.9000111.8P109 T110 P112 G116 Y117 I133 M143 K148 L150 I163P109-Y135 WeakPolarHBondContact CB-OH 3.46Å; T110-Y135 PolarHBondContact O-OH 2.03Å; P112-Y135 HydrophobicContact CG-CD1 4.07Å; P112-Y135 HydrophobicContact CG-CE1 4.5Å; G116-Y135 CarbonylContact O-C 3.46Å; G116-Y135 WeakPolarHBondContact O-CA 3.34Å; Y117-Y135 HydrophobicContact CD1-CE1 4.2Å; I133-Y135 HydrophobicContact CD1-CE2 3.88Å; I133-Y135 HydrophobicContact CG1-CE2 4.43Å; Y135-M143 WeakPolarHBondContact O-CE 3.41Å; Y135-K148 PolarHBondContact N-O 3.39Å; Y135-L150 HydrophobicContact CE2-CD1 3.77Å; Y135-L150 HydrophobicContact CE2-CG 3.99Å; Y135-I163 HydrophobicContact CD1-CB 4.48Å; Y135-I163 HydrophobicContact CD2-CD1 3.41Å; Y135-I163 VanDerWaalsContact CD2-CD1 3.41Å; Y135-I163 HydrophobicContact CD2-CG1 4.17Å; Y135-I163 HydrophobicContact CE2-CD1 3.85Å; Y135-I163 HydrophobicContact CE2-CG1 4.19Å; Y135-I163 HydrophobicContact CG-CB 4.45Å; Y135-I163 HydrophobicContact CG-CD1 3.8Å; Y135-I163 HydrophobicContact CG-CG1 4.47Å; Y135-I163 HydrophobicContact CG-CG2 4.45Å
136F92.9Very high89.1Confident82 Ų8268.5 Ų68.536%0.3635%0.352SS..EExtended strand (participates in β ladder)trans-138.3158.5171.566-90.3000110G115 G116 R118G115-F136 VanDerWaalsContact CA-O 3.3Å; G115-F136 WeakPolarHBondContact CA-O 3.15Å; G116-F136 VanDerWaalsContact C-CD1 3.5Å; G116-F136 PolarHBondContact N-O 3.41Å; G116-F136 WeakPolarHBondContact O-CD1 3.08Å; G116-F136 PolarHBondContact O-N 2.87Å; R118-F136 HydrophobicContact CG-CD1 3.91Å; R118-F136 HydrophobicContact CG-CE1 3.84Å
137C94.6Very high89.4Confident28 Ų2866.5 Ų66.519%0.18935%0.345CS..EExtended strand (participates in β ladder)trans-113.6154.3170.5-62.60000109.6M143 C165C137-M143 VanDerWaalsContact SG-CA 3.55Å; C137-C165 WeakPolarHBondContact CA-SG 3.42Å; C137-C165 HydrophobicContact CB-CB 3.69Å; C137-C165 WeakPolarHBondContact CB-SG 3.38Å; C137-C165 VanDerWaalsContact SG-CA 3.57Å; C137-C165 WeakPolarHBondContact SG-CB 3.42Å; C137-C165 CovalentContact SG-SG 2.03Å; C137-C165 PolarHBondContact SG-SG 3.1Å
138D94.9Very high89.5Confident71 Ų7169.9 Ų69.938%0.3836%0.359SS..  trans-70.4165.7177.3-62.7-26.4000111.3N114 G115 G140 Y141N114-D138 VanDerWaalsContact C-CG 3.42Å; N114-D138 WeakPolarHBondContact CA-OD2 3.48Å; N114-D138 PolarHBondContact O-N 3.11Å; G115-D138 PolarHBondContact N-OD2 2.86Å; D138-G140 PolarHBondContact O-N 2.68Å; D138-Y141 HydrophobicContact CB-CD2 4.45Å; D138-Y141 WeakPolarHBondContact O-CB 3.1Å; D138-Y141 PolarHBondContact O-N 2.71Å
139E93Very high89.8Confident196 Ų19670.3 Ų70.392%0.91636%0.358SS*.THydrogen-bonded Turntrans-57.9134.6179.4-64-171.8165.300111.6Y141E139-Y141 VanDerWaalsContact C-N 3.31Å
140G89.6Confident90.1Very high46 Ų4667.4 Ų67.447%0.47435%0.345SS..THydrogen-bonded Turntrans80.34.5-173.200000114.7D138 T168D138-G140 PolarHBondContact O-N 2.68Å; G140-T168 WeakPolarHBondContact O-CB 3.06Å; G140-T168 PolarHBondContact O-N 3.28Å; G140-T168 PolarHBondContact O-OG1 3.02Å; G140-T168 VanDerWaalsContact O-OG1 3.09Å
141Y92.8Very high90.3Very high70 Ų7064.1 Ų64.128%0.27533%0.328SS..EExtended strand (participates in β ladder)trans-117.6141.8173.9-68.2-107.1000112.3N114 D138 E139 C165 R166 L167N114-Y141 HydrophobicContact CB-CD1 3.43Å; N114-Y141 VanDerWaalsContact CB-CD1 3.43Å; N114-Y141 HydrophobicContact CB-CD2 3.9Å; N114-Y141 HydrophobicContact CB-CE1 3.36Å; N114-Y141 HydrophobicContact CB-CE2 3.85Å; N114-Y141 HydrophobicContact CB-CG 3.72Å; N114-Y141 PolarHBondContact ND2-OH 3.16Å; N114-Y141 WeakPolarHBondContact OD1-CE1 3.19Å; N114-Y141 PolarHBondContact OD1-OH 2.87Å; D138-Y141 HydrophobicContact CB-CD2 4.45Å; D138-Y141 WeakPolarHBondContact O-CB 3.1Å; D138-Y141 PolarHBondContact O-N 2.71Å; E139-Y141 VanDerWaalsContact C-N 3.31Å; Y141-C165 HydrophobicContact CD1-CB 4.38Å; Y141-R166 CarbonylContact C-O 3.5Å; Y141-R166 VanDerWaalsContact CA-O 3.29Å; Y141-R166 WeakPolarHBondContact CA-O 3.48Å; Y141-R166 VanDerWaalsContact CD1-C 3.43Å; Y141-L167 HydrophobicContact CD1-CB 4.46Å; Y141-L167 VanDerWaalsContact CD1-N 3.3Å; Y141-L167 HydrophobicContact CE1-CB 4.22Å; Y141-L167 HydrophobicContact CE1-CD1 4.39Å; Y141-L167 HydrophobicContact CE2-CD1 4.07Å
142T90.3Very high90.4Very high71 Ų7163.9 Ų63.944%0.43633%0.327SS..EExtended strand (participates in β ladder)trans-109.3139.6174.6350000110.8K144 R166 T168T142-K144 PolarHBondContact O-N 3.4Å; T142-R166 PolarHBondContact N-O 3.06Å; T142-R166 PolarHBondContact O-N 3.22Å; T142-R166 PolarHBondContact OG1-O 2.92Å; T142-T168 HydrophobicContact CG2-CG2 4.06Å; T142-T168 WeakPolarHBondContact CG2-OG1 3.12Å; T142-T168 PolarHBondContact N-OG1 2.88Å
143M90.4Very high90.2Very high59 Ų5965.4 Ų65.429%0.29133%0.333SS..EExtended strand (participates in β ladder)trans-72.8128.2177-171179.3-67.300110.9Y135 C137 K148 I163Y135-M143 WeakPolarHBondContact O-CE 3.41Å; C137-M143 VanDerWaalsContact SG-CA 3.55Å; M143-K148 HydrophobicContact CE-CB 3.82Å; M143-K148 HydrophobicContact SD-CB 3.43Å; M143-K148 WeakPolarHBondContact SD-CB 3.34Å; M143-I163 HydrophobicContact CE-CG2 4.15Å; M143-I163 HydrophobicContact CG-CG2 3.49Å; M143-I163 VanDerWaalsContact CG-CG2 3.49Å; M143-I163 HydrophobicContact SD-CD1 3.92Å; M143-I163 HydrophobicContact SD-CG2 3.74Å
144K88.8Confident89.9Confident121 Ų12170.1 Ų70.153%0.52636%0.358SS..EExtended strand (participates in β ladder)trans-102.2103.3165.1-172.4-177177-172.20109.1T142 S164 R166T142-K144 PolarHBondContact O-N 3.4Å; K144-S164 WeakPolarHBondContact CB-O 3.26Å; K144-S164 PolarHBondContact N-O 3.03Å; K144-S164 PolarHBondContact O-N 3.06Å; K144-R166 HydrophobicContact CB-CG 4.49Å
145G82.4Confident89.5Confident35 Ų3569.7 Ų69.736%0.36136%0.362SS..SBendtrans176.4149174.300000109.2Y147G145-Y147 VanDerWaalsContact C-N 3.26Å; G145-Y147 PolarHBondContact O-N 2.82Å
146D79.2Confident89.3Confident143 Ų14376.3 Ų76.377%0.76539%0.393SS*.SBendtrans-75.6-19.7-177.3-60.9-32.3000112.3M161D146-M161 HydrophobicContact CB-CE 4.32Å; D146-M161 HydrophobicContact CB-SD 4.04Å; D146-M161 WeakPolarHBondContact OD2-CE 3.41Å
147Y84.8Confident89.2Confident135 Ų13575 Ų7553%0.52939%0.386SS..  trans-145.3140.1-180-157-122.1000110.7G145 Y149 I163G145-Y147 VanDerWaalsContact C-N 3.26Å; G145-Y147 PolarHBondContact O-N 2.82Å; Y147-Y149 WeakPolarHBondContact CD1-O 2.98Å; Y147-Y149 HydrophobicContact CE1-CD2 4.15Å; Y147-Y149 HydrophobicContact CE1-CG 4.44Å; Y147-Y149 HydrophobicContact CE2-CD2 4.31Å; Y147-Y149 AromaticContact CZ-CD2 3.89Å; Y147-I163 WeakPolarHBondContact O-CD1 3.45Å
148K89.6Confident88.9Confident82 Ų8276.9 Ų76.936%0.35739%0.394SS..SBendtrans-102.4-0.4-174.367.4162.1173149.80115.2E134 Y135 M143E134-K148 HydrophobicContact CG-CD 4.47Å; E134-K148 IonicContact OE1-NZ 2.71Å; E134-K148 PolarHBondContact OE1-NZ 2.87Å; Y135-K148 PolarHBondContact N-O 3.39Å; M143-K148 HydrophobicContact CE-CB 3.82Å; M143-K148 HydrophobicContact SD-CB 3.43Å; M143-K148 WeakPolarHBondContact SD-CB 3.34Å
149Y91.6Very high88.2Confident68 Ų6875.7 Ų75.727%0.26739%0.388SS..EExtended strand (participates in β ladder)trans-113.3148178.7-56.3-80.7000110.2V132 I133 E134 Y147V132-Y149 HydrophobicContact CG1-CD1 4.18Å; I133-Y149 WeakPolarHBondContact O-CA 3.46Å; E134-Y149 HydrophobicContact CB-CD1 3.75Å; E134-Y149 HydrophobicContact CB-CE1 3.58Å; E134-Y149 HydrophobicContact CG-CD1 4.03Å; E134-Y149 HydrophobicContact CG-CE1 3.5Å; E134-Y149 VanDerWaalsContact CG-CE1 3.5Å; E134-Y149 WeakPolarHBondContact OE1-CE1 3.27Å; E134-Y149 PolarHBondContact OE1-OH 2.86Å; Y147-Y149 WeakPolarHBondContact CD1-O 2.98Å; Y147-Y149 HydrophobicContact CE1-CD2 4.15Å; Y147-Y149 HydrophobicContact CE1-CG 4.44Å; Y147-Y149 HydrophobicContact CE2-CD2 4.31Å; Y147-Y149 AromaticContact CZ-CD2 3.89Å
150L90.9Very high87.2Confident10 Ų1072.8 Ų72.85%0.05239%0.386CS..EExtended strand (participates in β ladder)trans-127.2141.7162.6-60.8176.4000109.3V132 I133 Y135 W157 D158 N159V132-L150 CarbonylContact C-O 3.59Å; V132-L150 WeakPolarHBondContact CA-O 3.22Å; I133-L150 HydrophobicContact CD1-CB 3.97Å; I133-L150 HydrophobicContact CD1-CD1 4.17Å; I133-L150 HydrophobicContact CD1-CG 4.4Å; I133-L150 HydrophobicContact CG1-CB 3.76Å; I133-L150 PolarHBondContact N-O 3.04Å; I133-L150 PolarHBondContact O-N 3.04Å; I133-L150 VanDerWaalsContact O-N 3.11Å; Y135-L150 HydrophobicContact CE2-CD1 3.77Å; Y135-L150 HydrophobicContact CE2-CG 3.99Å; L150-W157 HydrophobicContact CB-CD2 4.19Å; L150-W157 HydrophobicContact CB-CE3 3.55Å; L150-W157 HydrophobicContact CB-CZ3 4.16Å; L150-W157 HydrophobicContact CD1-CB 4.27Å; L150-W157 HydrophobicContact CD1-CD2 4.42Å; L150-W157 HydrophobicContact CD1-CG 4.28Å; L150-D158 VanDerWaalsContact CA-OD1 3.31Å; L150-D158 WeakPolarHBondContact CA-OD1 3.32Å; L150-N159 HydrophobicContact CD2-CB 3.65Å; L150-N159 WeakPolarHBondContact CD2-O 3.41Å
151T91.5Very high86.1Confident33 Ų3374.5 Ų74.520%0.20238%0.383CS..EExtended strand (participates in β ladder)trans-108.7128.9176.7-41.10000109.1V132 L153 D158V132-T151 HydrophobicContact CG2-CG2 4.16Å; T151-L153 HydrophobicContact CG2-CD2 3.92Å; T151-L153 HydrophobicContact CG2-CG 4.28Å; T151-L153 PolarHBondContact O-N 3.09Å; T151-D158 WeakPolarHBondContact CB-OD2 3.42Å; T151-D158 PolarHBondContact N-OD1 3.32Å; T151-D158 PolarHBondContact N-OD2 3.23Å; T151-D158 VanDerWaalsContact N-OD2 3.09Å; T151-D158 PolarHBondContact O-N 2.99Å; T151-D158 PolarHBondContact OG1-OD2 3.37Å
152C90.3Very high85.3Confident0 Ų078.8 Ų78.80%041%0.405CS..EExtended strand (participates in β ladder)trans-75.4107.6173.1179.80000110C106 L127 I128 H129 N130 T131 W157C106-C152 HydrophobicContact CB-CB 3.89Å; C106-C152 WeakPolarHBondContact CB-SG 3.34Å; C106-C152 WeakPolarHBondContact SG-CA 3.43Å; C106-C152 WeakPolarHBondContact SG-CB 3.34Å; C106-C152 CovalentContact SG-SG 2.03Å; C106-C152 PolarHBondContact SG-SG 2.89Å; L127-C152 PolarHBondContact O-SG 3.46Å; I128-C152 VanDerWaalsContact C-SG 3.59Å; I128-C152 WeakPolarHBondContact O-CB 3.31Å; I128-C152 PolarHBondContact O-SG 3.42Å; H129-C152 CarbonylContact C-O 3.58Å; H129-C152 WeakPolarHBondContact CA-O 3.18Å; N130-C152 PolarHBondContact N-O 2.03Å; T131-C152 PolarHBondContact O-N 3.13Å; C152-W157 HydrophobicContact CB-CE3 4.19Å; C152-W157 HydrophobicContact CB-CH2 4.12Å; C152-W157 HydrophobicContact CB-CZ3 3.78Å
153L88.7Confident85.1Confident77 Ų7776 Ų7640%0.40339%0.388SS..EExtended strand (participates in β ladder)trans-114.4110179.6-63.8-178.1000109.4T151 G155 E156 D158T151-L153 HydrophobicContact CG2-CD2 3.92Å; T151-L153 HydrophobicContact CG2-CG 4.28Å; T151-L153 PolarHBondContact O-N 3.09Å; L153-G155 PolarHBondContact O-N 2.86Å; L153-E156 CarbonylContact C-O 3.25Å; L153-E156 PolarHBondContact N-O 2.82Å; L153-E156 PolarHBondContact O-N 3.4Å; L153-E156 VanDerWaalsContact O-O 3.08Å; L153-D158 HydrophobicContact CD1-CB 3.76Å; L153-D158 HydrophobicContact CG-CB 4.26Å
154N85.3Confident85.1Confident100 Ų10075.5 Ų75.554%0.53539%0.39SS..THydrogen-bonded Turntrans54.925.3176.2-59.4-29.3000115.2Y104 H129Y104-N154 HydrophobicContact CD1-CB 4.32Å; Y104-N154 WeakPolarHBondContact CD1-O 3.01Å; Y104-N154 HydrophobicContact CG-CB 4.47Å; H129-N154 PolarHBondContact CE1-OD1 2.79Å; H129-N154 PolarHBondContact ND1-N 2.03Å; H129-N154 PolarHBondContact ND1-OD1 3.46Å
155G84.8Confident85.3Confident22 Ų2270.2 Ų70.223%0.22737%0.368CS..THydrogen-bonded Turntrans98.6-1.7176.800000113.6C106 L153C106-G155 WeakPolarHBondContact CA-O 3.48Å; C106-G155 VanDerWaalsContact SG-CA 3.57Å; L153-G155 PolarHBondContact O-N 2.86Å
156E89Confident85.8Confident154 Ų15475.3 Ų75.372%0.7238%0.376SS*.EExtended strand (participates in β ladder)trans-115.7154.3172.2-63-177.2158.600110C106 L153C106-E156 PolarHBondContact SG-N 2.8Å; C106-E156 PolarHBondContact SG-O 3.38Å; L153-E156 CarbonylContact C-O 3.25Å; L153-E156 PolarHBondContact N-O 2.82Å; L153-E156 PolarHBondContact O-N 3.4Å; L153-E156 VanDerWaalsContact O-O 3.08Å
157W90.1Very high86.4Confident53 Ų5374 Ų7420%0.20137%0.369CS..EExtended strand (participates in β ladder)trans-81.9137.5172.8-65.4107.4000109.8C106 S107 P109 L127 I133 L150 C152 N159C106-W157 HydrophobicContact CB-CD2 4.18Å; C106-W157 HydrophobicContact CB-CH2 4.21Å; C106-W157 HydrophobicContact CB-CZ2 3.6Å; S107-W157 PolarHBondContact O-NE1 3.3Å; P109-W157 HydrophobicContact CG-CZ2 4.42Å; L127-W157 HydrophobicContact CB-CH2 4.22Å; L127-W157 HydrophobicContact CB-CZ2 4.24Å; L127-W157 HydrophobicContact CD1-CH2 4.14Å; L127-W157 HydrophobicContact CD1-CZ2 3.75Å; I133-W157 HydrophobicContact CD1-CE3 4.45Å; I133-W157 HydrophobicContact CD1-CH2 4.03Å; I133-W157 HydrophobicContact CD1-CZ2 4.38Å; I133-W157 HydrophobicContact CD1-CZ3 4.06Å; I133-W157 HydrophobicContact CG1-CH2 4.29Å; I133-W157 HydrophobicContact CG1-CZ3 4.01Å; I133-W157 HydrophobicContact CG2-CH2 3.85Å; I133-W157 HydrophobicContact CG2-CZ3 4.2Å; L150-W157 HydrophobicContact CB-CD2 4.19Å; L150-W157 HydrophobicContact CB-CE3 3.55Å; L150-W157 HydrophobicContact CB-CZ3 4.16Å; L150-W157 HydrophobicContact CD1-CB 4.27Å; L150-W157 HydrophobicContact CD1-CD2 4.42Å; L150-W157 HydrophobicContact CD1-CG 4.28Å; C152-W157 HydrophobicContact CB-CE3 4.19Å; C152-W157 HydrophobicContact CB-CH2 4.12Å; C152-W157 HydrophobicContact CB-CZ3 3.78Å; W157-N159 PolarHBondContact O-N 3.49Å; W157-N159 VanDerWaalsContact O-N 3.13Å
158D88.9Confident86.2Confident69 Ų6970 Ų7037%0.36936%0.358SS..SBendtrans-59-20.3-177.860.5-11.2000115.6L150 T151 L153L150-D158 VanDerWaalsContact CA-OD1 3.31Å; L150-D158 WeakPolarHBondContact CA-OD1 3.32Å; T151-D158 WeakPolarHBondContact CB-OD2 3.42Å; T151-D158 PolarHBondContact N-OD1 3.32Å; T151-D158 PolarHBondContact N-OD2 3.23Å; T151-D158 VanDerWaalsContact N-OD2 3.09Å; T151-D158 PolarHBondContact O-N 2.99Å; T151-D158 PolarHBondContact OG1-OD2 3.37Å; L153-D158 HydrophobicContact CD1-CB 3.76Å; L153-D158 HydrophobicContact CG-CB 4.26Å
159N81.3Confident85.4Confident46 Ų4674.7 Ų74.725%0.24638%0.381CS..  trans-138.3129.9179.4-170.5-27.9000112.2L150 W157 M161L150-N159 HydrophobicContact CD2-CB 3.65Å; L150-N159 WeakPolarHBondContact CD2-O 3.41Å; W157-N159 PolarHBondContact O-N 3.49Å; W157-N159 VanDerWaalsContact O-N 3.13Å; N159-M161 VanDerWaalsContact C-N 3.27Å; N159-M161 PolarHBondContact O-N 3.32Å; N159-M161 VanDerWaalsContact OD1-CB 3.27Å; N159-M161 WeakPolarHBondContact OD1-CB 3.33Å; N159-M161 WeakPolarHBondContact OD1-CG 3.49Å; N159-M161 PolarHBondContact OD1-N 3.21Å
160P70.2Confident83.8Confident134 Ų13477.3 Ų77.387%0.8740%0.4SS*.  trans-79.33.2177.933.8-38000114.9Q162P160-Q162 PolarHBondContact O-N 2.9Å
161M67.9Low81.9Confident82 Ų8285.9 Ų85.940%0.40444%0.437SS..  trans-66.2125.7-178.3-80.8179.117200112.9D146 N159 I163D146-M161 HydrophobicContact CB-CE 4.32Å; D146-M161 HydrophobicContact CB-SD 4.04Å; D146-M161 WeakPolarHBondContact OD2-CE 3.41Å; N159-M161 VanDerWaalsContact C-N 3.27Å; N159-M161 PolarHBondContact O-N 3.32Å; N159-M161 VanDerWaalsContact OD1-CB 3.27Å; N159-M161 WeakPolarHBondContact OD1-CB 3.33Å; N159-M161 WeakPolarHBondContact OD1-CG 3.49Å; N159-M161 PolarHBondContact OD1-N 3.21Å; M161-I163 PolarHBondContact O-N 2.81Å
162Q75.1Confident79.6Confident160 Ų16092.5 Ų92.575%0.74847%0.466SS*.  trans-83.6109.9175.1-168.8166.818.400110.7P160P160-Q162 PolarHBondContact O-N 2.9Å
163I87.1Confident77.4Confident13 Ų1397 Ų977%0.06750%0.495CS..  trans-73.7136176-55.8-155.3000110Y135 M143 Y147 M161Y135-I163 HydrophobicContact CD1-CB 4.48Å; Y135-I163 HydrophobicContact CD2-CD1 3.41Å; Y135-I163 VanDerWaalsContact CD2-CD1 3.41Å; Y135-I163 HydrophobicContact CD2-CG1 4.17Å; Y135-I163 HydrophobicContact CE2-CD1 3.85Å; Y135-I163 HydrophobicContact CE2-CG1 4.19Å; Y135-I163 HydrophobicContact CG-CB 4.45Å; Y135-I163 HydrophobicContact CG-CD1 3.8Å; Y135-I163 HydrophobicContact CG-CG1 4.47Å; Y135-I163 HydrophobicContact CG-CG2 4.45Å; M143-I163 HydrophobicContact CE-CG2 4.15Å; M143-I163 HydrophobicContact CG-CG2 3.49Å; M143-I163 VanDerWaalsContact CG-CG2 3.49Å; M143-I163 HydrophobicContact SD-CD1 3.92Å; M143-I163 HydrophobicContact SD-CG2 3.74Å; Y147-I163 WeakPolarHBondContact O-CD1 3.45Å; M161-I163 PolarHBondContact O-N 2.81Å
164S90.3Very high75.6Confident48 Ų4898 Ų9834%0.33651%0.509SS..EExtended strand (participates in β ladder)trans-133.8130.7175.7163.80000109.4K144K144-S164 WeakPolarHBondContact CB-O 3.26Å; K144-S164 PolarHBondContact N-O 3.03Å; K144-S164 PolarHBondContact O-N 3.06Å
165C93.1Very high73.6Confident11 Ų11100.3 Ų100.37%0.07452%0.52CS..EExtended strand (participates in β ladder)trans-84.5132.3168.4-60.40000108.8E113 N114 C137 Y141E113-C165 WeakPolarHBondContact O-CB 3.27Å; N114-C165 WeakPolarHBondContact O-CB 3.07Å; C137-C165 WeakPolarHBondContact CA-SG 3.42Å; C137-C165 HydrophobicContact CB-CB 3.69Å; C137-C165 WeakPolarHBondContact CB-SG 3.38Å; C137-C165 VanDerWaalsContact SG-CA 3.57Å; C137-C165 WeakPolarHBondContact SG-CB 3.42Å; C137-C165 CovalentContact SG-SG 2.03Å; C137-C165 PolarHBondContact SG-SG 3.1Å; Y141-C165 HydrophobicContact CD1-CB 4.38Å
166R91.9Very high71.8Confident142 Ų142105.2 Ų105.254%0.53655%0.548SS..EExtended strand (participates in β ladder)trans-119142.1176.1-67.4-171.5170.4-144.7-9.8108.3Y141 T142 K144 T168Y141-R166 CarbonylContact C-O 3.5Å; Y141-R166 VanDerWaalsContact CA-O 3.29Å; Y141-R166 WeakPolarHBondContact CA-O 3.48Å; Y141-R166 VanDerWaalsContact CD1-C 3.43Å; T142-R166 PolarHBondContact N-O 3.06Å; T142-R166 PolarHBondContact O-N 3.22Å; T142-R166 PolarHBondContact OG1-O 2.92Å; K144-R166 HydrophobicContact CB-CG 4.49Å; R166-T168 PolarHBondContact O-N 2.82Å; R166-T168 VanDerWaalsContact O-N 3.1Å
167L91.3Very high70Confident116 Ų116105 Ų10561%0.60755%0.551SS**EExtended strand (participates in β ladder)trans-49.1126.8172.2-172.576.2000107.7Y141 Q169Y141-L167 HydrophobicContact CD1-CB 4.46Å; Y141-L167 VanDerWaalsContact CD1-N 3.3Å; Y141-L167 HydrophobicContact CE1-CB 4.22Å; Y141-L167 HydrophobicContact CE1-CD1 4.39Å; Y141-L167 HydrophobicContact CE2-CD1 4.07Å; L167-Q169 PolarHBondContact O-N 2.89Å
168T80.9Confident68Low50 Ų50105 Ų10531%0.30757%0.568SS.*  trans-61.397.8167.2-48.70000104.7G140 T142 R166 D170G140-T168 WeakPolarHBondContact O-CB 3.06Å; G140-T168 PolarHBondContact O-N 3.28Å; G140-T168 PolarHBondContact O-OG1 3.02Å; G140-T168 VanDerWaalsContact O-OG1 3.09Å; T142-T168 HydrophobicContact CG2-CG2 4.06Å; T142-T168 WeakPolarHBondContact CG2-OG1 3.12Å; T142-T168 PolarHBondContact N-OG1 2.88Å; R166-T168 PolarHBondContact O-N 2.82Å; R166-T168 VanDerWaalsContact O-N 3.1Å; T168-D170 PolarHBondContact O-N 3.31Å
169Q73.6Confident66.6Low180 Ų180108.5 Ų108.584%0.84158%0.583SS**  trans-64.498.3166.7-168.7170.924.800103.6L167 K171L167-Q169 PolarHBondContact O-N 2.89Å; Q169-K171 PolarHBondContact O-N 2.92Å
170D57.7Low65.3Low123 Ų123110.4 Ų110.466%0.65860%0.598SS**  trans-44.4114.8169.3-81.8-42.8000105T168 E172T168-D170 PolarHBondContact O-N 3.31Å; D170-E172 WeakPolarHBondContact O-CA 3.12Å; D170-E172 PolarHBondContact O-N 3.48Å
171K50.4Low64.4Low191 Ų191106.8 Ų106.883%0.8358%0.58SS**  trans-57.2104.9169.8172.2-178.6176.21800103.4Q169 P173Q169-K171 PolarHBondContact O-N 2.92Å; K171-P173 VanDerWaalsContact O-N 3.15Å
172E44.2Very low63.7Low171 Ų171107.2 Ų107.280%0.79958%0.583SS**  trans-29.2113.8-158.9177.1172.8107.600109.5D170 S174D170-E172 WeakPolarHBondContact O-CA 3.12Å; D170-E172 PolarHBondContact O-N 3.48Å; E172-S174 VanDerWaalsContact O-CA 3.23Å; E172-S174 WeakPolarHBondContact O-CA 3.49Å; E172-S174 PolarHBondContact O-N 2.79Å
173P44.2Very low62.8Low94 Ų94103.3 Ų103.361%0.6157%0.574SS**  trans-48.3108.6-160.918.6-32.9000106.7K171 L175K171-P173 VanDerWaalsContact O-N 3.15Å; P173-L175 PolarHBondContact O-N 3.23Å
174S49.8Very low61.4Low100 Ų100107.4 Ų107.470%0.69960%0.595SS**  trans-73.886.3-159.550.40000106.8E172 P176E172-S174 VanDerWaalsContact O-CA 3.23Å; E172-S174 WeakPolarHBondContact O-CA 3.49Å; E172-S174 PolarHBondContact O-N 2.79Å; S174-P176 VanDerWaalsContact O-CD 3.3Å; S174-P176 WeakPolarHBondContact O-CD 3.34Å
175L44Very low59.9Low147 Ų147108.9 Ų108.977%0.7760%0.601SS**  trans-51115.1-170.5-79.7167.3000105.6P173 L177P173-L175 PolarHBondContact O-N 3.23Å; L175-L177 PolarHBondContact O-N 3.05Å
176P47.9Very low58.3Low126 Ų126114 Ų11482%0.81863%0.627SS**  trans-78.252-176.932.3-34.8000109.6S174S174-P176 VanDerWaalsContact O-CD 3.3Å; S174-P176 WeakPolarHBondContact O-CD 3.34Å
177L49.7Very low57.1Low149 Ų149111.4 Ų111.478%0.7863%0.627SS**SBendtrans-128.760.7-174.2-123.773.1000110.7L175 M179L175-L177 PolarHBondContact O-N 3.05Å; L177-M179 PolarHBondContact O-N 2.96Å
178G48.2Very low56Low54 Ų54109 Ų10956%0.55762%0.618SS**  trans67.748.1134.800000119.3
179M60.3Low55.7Low141 Ų141109.5 Ų109.570%0.69563%0.627SS**THydrogen-bonded Turntrans-113.351.6174.6-69.1-64.4-149.400116.6L177 L182L177-M179 PolarHBondContact O-N 2.96Å; M179-L182 HydrophobicContact CE-CB 4.47Å; M179-L182 HydrophobicContact CE-CD1 3.67Å; M179-L182 HydrophobicContact SD-CB 3.73Å; M179-L182 HydrophobicContact SD-CD1 3.76Å; M179-L182 HydrophobicContact SD-CG 4.1Å
180P53.9Low56.2Low86 Ų86104.3 Ų104.356%0.55861%0.61SS**THydrogen-bonded Turntrans-100-31.6140.4-2.420.1000110.9L182 S183 I184P180-L182 PolarHBondContact O-N 2.82Å; P180-S183 PolarHBondContact O-N 3.37Å; P180-I184 HydrophobicContact CB-CD1 4.21Å; P180-I184 VanDerWaalsContact O-CG1 3.28Å; P180-I184 WeakPolarHBondContact O-CG1 3.4Å; P180-I184 PolarHBondContact O-N 2.92Å
181A52Low57.6Low58 Ų58101 Ų10148%0.47960%0.597SS.*Hα-helixtrans-62.6-47.5-170.800000112.6S183 I184 V185A181-S183 PolarHBondContact O-N 3.39Å; A181-I184 PolarHBondContact O-N 2.86Å; A181-V185 VanDerWaalsContact O-CB 3.31Å; A181-V185 WeakPolarHBondContact O-CB 3.04Å; A181-V185 WeakPolarHBondContact O-CG2 3.47Å; A181-V185 PolarHBondContact O-N 3.47Å
182L53.1Low59.5Low91 Ų9195.9 Ų95.948%0.47658%0.581SS.*Hα-helixtrans-71.2-28.1178.6-71.6175.7000113.5M179 P180 V185 L186M179-L182 HydrophobicContact CE-CB 4.47Å; M179-L182 HydrophobicContact CE-CD1 3.67Å; M179-L182 HydrophobicContact SD-CB 3.73Å; M179-L182 HydrophobicContact SD-CD1 3.76Å; M179-L182 HydrophobicContact SD-CG 4.1Å; P180-L182 PolarHBondContact O-N 2.82Å; L182-V185 PolarHBondContact O-N 2.78Å; L182-L186 WeakPolarHBondContact O-CB 3.45Å; L182-L186 VanDerWaalsContact O-CD1 3.25Å; L182-L186 WeakPolarHBondContact O-CD1 3.39Å; L182-L186 PolarHBondContact O-N 2.82Å
183S55.5Low61.7Low78 Ų7893.5 Ų93.555%0.54557%0.573SS.*Hα-helixtrans-68.8-41.3171.9-170.30000111.5P180 A181 T187P180-S183 PolarHBondContact O-N 3.37Å; A181-S183 PolarHBondContact O-N 3.39Å; S183-T187 WeakPolarHBondContact O-CB 3.46Å; S183-T187 WeakPolarHBondContact O-CG2 3.44Å; S183-T187 PolarHBondContact O-N 3.2Å; S183-T187 PolarHBondContact O-OG1 3.47Å
184I57.4Low63.9Low100 Ų10093.6 Ų93.651%0.51357%0.568SS.*Hα-helixtrans-68.2-37.5174-64.7164.5000111P180 A181 T187 T188P180-I184 HydrophobicContact CB-CD1 4.21Å; P180-I184 VanDerWaalsContact O-CG1 3.28Å; P180-I184 WeakPolarHBondContact O-CG1 3.4Å; P180-I184 PolarHBondContact O-N 2.92Å; A181-I184 PolarHBondContact O-N 2.86Å; I184-T187 WeakPolarHBondContact CA-OG1 3Å; I184-T187 PolarHBondContact O-OG1 3.28Å; I184-T187 VanDerWaalsContact O-OG1 3.08Å; I184-T188 HydrophobicContact CG2-CG2 4.35Å; I184-T188 WeakPolarHBondContact O-CB 3.36Å; I184-T188 VanDerWaalsContact O-CG2 3.3Å; I184-T188 WeakPolarHBondContact O-CG2 3.45Å; I184-T188 PolarHBondContact O-N 3.07Å; I184-T188 PolarHBondContact O-OG1 2.95Å
185V59.7Low65.9Low78 Ų7893.6 Ų93.647%0.47356%0.56SS.*Hα-helixtrans-72.7-39.5178.31690000111.8A181 L182 T188 A189A181-V185 VanDerWaalsContact O-CB 3.31Å; A181-V185 WeakPolarHBondContact O-CB 3.04Å; A181-V185 WeakPolarHBondContact O-CG2 3.47Å; A181-V185 PolarHBondContact O-N 3.47Å; L182-V185 PolarHBondContact O-N 2.78Å; V185-T188 WeakPolarHBondContact CA-OG1 3.03Å; V185-T188 PolarHBondContact O-OG1 3.2Å; V185-A189 WeakPolarHBondContact O-CB 3.47Å; V185-A189 PolarHBondContact O-N 2.94Å
186L59.7Low68.3Low119 Ų11991.6 Ų91.662%0.62355%0.549SS*.Hα-helixtrans-65.2-41.7172.9-96.871.5000111.5L182 S190L182-L186 WeakPolarHBondContact O-CB 3.45Å; L182-L186 VanDerWaalsContact O-CD1 3.25Å; L182-L186 WeakPolarHBondContact O-CD1 3.39Å; L182-L186 PolarHBondContact O-N 2.82Å; L186-S190 WeakPolarHBondContact O-CB 3.16Å; L186-S190 PolarHBondContact O-N 2.9Å
187T65.2Low70.5Confident87 Ų8790.9 Ų90.953%0.53454%0.538SS..Hα-helixtrans-70.5-37.2178.548.50000113S183 I184 S191S183-T187 WeakPolarHBondContact O-CB 3.46Å; S183-T187 WeakPolarHBondContact O-CG2 3.44Å; S183-T187 PolarHBondContact O-N 3.2Å; S183-T187 PolarHBondContact O-OG1 3.47Å; I184-T187 WeakPolarHBondContact CA-OG1 3Å; I184-T187 PolarHBondContact O-OG1 3.28Å; I184-T187 VanDerWaalsContact O-OG1 3.08Å; T187-S191 WeakPolarHBondContact O-CB 3.45Å; T187-S191 PolarHBondContact O-N 2.86Å; T187-S191 PolarHBondContact O-OG 2.95Å
188T69.8Low72.5Confident67 Ų6788.3 Ų88.341%0.41152%0.524SS..Hα-helixtrans-74.8-37.3174.952.10000113.1I184 V185 S191 V192I184-T188 HydrophobicContact CG2-CG2 4.35Å; I184-T188 WeakPolarHBondContact O-CB 3.36Å; I184-T188 VanDerWaalsContact O-CG2 3.3Å; I184-T188 WeakPolarHBondContact O-CG2 3.45Å; I184-T188 PolarHBondContact O-N 3.07Å; I184-T188 PolarHBondContact O-OG1 2.95Å; V185-T188 WeakPolarHBondContact CA-OG1 3.03Å; V185-T188 PolarHBondContact O-OG1 3.2Å; T188-S191 PolarHBondContact O-N 3.29Å; T188-S191 PolarHBondContact O-OG 2.9Å; T188-S191 VanDerWaalsContact O-OG 3.09Å; T188-V192 WeakPolarHBondContact O-CB 3.05Å; T188-V192 VanDerWaalsContact O-CG2 3.3Å; T188-V192 WeakPolarHBondContact O-CG2 3.36Å; T188-V192 PolarHBondContact O-N 2.9Å
189A73.8Confident74.7Confident59 Ų5989.6 Ų89.649%0.48852%0.521SS..Hα-helixtrans-64.3-41.5171.700000111.4V185 L193V185-A189 WeakPolarHBondContact O-CB 3.47Å; V185-A189 PolarHBondContact O-N 2.94Å; A189-L193 WeakPolarHBondContact O-CB 3.49Å; A189-L193 PolarHBondContact O-N 2.04Å
190S83.7Confident76.3Confident72 Ų7287 Ų8750%0.50351%0.513SS..Hα-helixtrans-64.1-43.6175-173.90000112L186 L193 L194L186-S190 WeakPolarHBondContact O-CB 3.16Å; L186-S190 PolarHBondContact O-N 2.9Å; S190-L193 PolarHBondContact O-N 2.03Å; S190-L194 WeakPolarHBondContact O-CB 3.22Å; S190-L194 PolarHBondContact O-N 3.34Å
191S86.6Confident77.9Confident53 Ų5387.2 Ų87.237%0.37151%0.509SS..Hα-helixtrans-67.3-41.1179.670.80000112.6T187 T188 L194 I195T187-S191 WeakPolarHBondContact O-CB 3.45Å; T187-S191 PolarHBondContact O-N 2.86Å; T187-S191 PolarHBondContact O-OG 2.95Å; T188-S191 PolarHBondContact O-N 3.29Å; T188-S191 PolarHBondContact O-OG 2.9Å; T188-S191 VanDerWaalsContact O-OG 3.09Å; S191-L194 PolarHBondContact O-N 2.83Å; S191-I195 WeakPolarHBondContact O-CB 3.39Å; S191-I195 WeakPolarHBondContact O-CD1 3.41Å; S191-I195 VanDerWaalsContact O-CG1 3.22Å; S191-I195 WeakPolarHBondContact O-CG1 3.47Å; S191-I195 PolarHBondContact O-N 3.29Å
192V91.4Very high79.7Confident83 Ų8390.6 Ų90.650%0.50351%0.513SS..Hα-helixtrans-62.8-44.5174.8171.80000111T188 L194 I195 L196T188-V192 WeakPolarHBondContact O-CB 3.05Å; T188-V192 VanDerWaalsContact O-CG2 3.3Å; T188-V192 WeakPolarHBondContact O-CG2 3.36Å; T188-V192 PolarHBondContact O-N 2.9Å; V192-L194 VanDerWaalsContact C-N 3.34Å; V192-L194 PolarHBondContact O-N 3.5Å; V192-I195 PolarHBondContact O-N 3.28Å; V192-L196 HydrophobicContact CG1-CD1 4Å; V192-L196 HydrophobicContact CG1-CG 4.43Å; V192-L196 WeakPolarHBondContact O-CB 3.07Å; V192-L196 VanDerWaalsContact O-CG 3.31Å; V192-L196 WeakPolarHBondContact O-CG 3.4Å; V192-L196 PolarHBondContact O-N 3.13Å
193L90.8Very high81.3Confident121 Ų12190.6 Ų90.663%0.63452%0.517SS*.Hα-helixtrans-63.3-40.2177.9-172.965000112A189 S190 L196 L197A189-L193 WeakPolarHBondContact O-CB 3.49Å; A189-L193 PolarHBondContact O-N 2.04Å; S190-L193 PolarHBondContact O-N 2.03Å; L193-L196 PolarHBondContact O-N 3.07Å; L193-L197 WeakPolarHBondContact O-CB 3.24Å; L193-L197 PolarHBondContact O-N 3.2Å
194L90.3Very high82.6Confident96 Ų9692.6 Ų92.650%0.50352%0.52SS..Hα-helixtrans-67.5-42178-153.2163.5000111.2S190 S191 V192 L197 L198S190-L194 WeakPolarHBondContact O-CB 3.22Å; S190-L194 PolarHBondContact O-N 3.34Å; S191-L194 PolarHBondContact O-N 2.83Å; V192-L194 VanDerWaalsContact C-N 3.34Å; V192-L194 PolarHBondContact O-N 3.5Å; L194-L197 PolarHBondContact O-N 3.45Å; L194-L198 HydrophobicContact CD2-CD1 3.59Å; L194-L198 HydrophobicContact CD2-CG 3.95Å; L194-L198 WeakPolarHBondContact O-CG 3.41Å; L194-L198 PolarHBondContact O-N 3.49Å
195I91.8Very high83.7Confident101 Ų10190.4 Ų90.452%0.51851%0.512SS..Hα-helixtrans-62-46.2174-69163.2000110.9S191 V192 L197 L198 V199S191-I195 WeakPolarHBondContact O-CB 3.39Å; S191-I195 WeakPolarHBondContact O-CD1 3.41Å; S191-I195 VanDerWaalsContact O-CG1 3.22Å; S191-I195 WeakPolarHBondContact O-CG1 3.47Å; S191-I195 PolarHBondContact O-N 3.29Å; V192-I195 PolarHBondContact O-N 3.28Å; I195-L197 VanDerWaalsContact C-N 3.34Å; I195-L197 PolarHBondContact O-N 2.93Å; I195-L198 PolarHBondContact O-N 3.46Å; I195-V199 HydrophobicContact CG2-CG2 4.5Å; I195-V199 WeakPolarHBondContact O-CG2 3.38Å; I195-V199 PolarHBondContact O-N 3.39Å
196L93.5Very high84.2Confident104 Ų10490.1 Ų90.155%0.54551%0.505SS..Hα-helixtrans-61.3-42.1176.9-71.5172.5000111.7V192 L193 V199 V200V192-L196 HydrophobicContact CG1-CD1 4Å; V192-L196 HydrophobicContact CG1-CG 4.43Å; V192-L196 WeakPolarHBondContact O-CB 3.07Å; V192-L196 VanDerWaalsContact O-CG 3.31Å; V192-L196 WeakPolarHBondContact O-CG 3.4Å; V192-L196 PolarHBondContact O-N 3.13Å; L193-L196 PolarHBondContact O-N 3.07Å; L196-V199 PolarHBondContact O-N 2.93Å; L196-V200 WeakPolarHBondContact O-CG2 3.23Å; L196-V200 PolarHBondContact O-N 2.74Å
197L93.9Very high84.5Confident112 Ų11288.5 Ų88.559%0.58650%0.502SS*.Hα-helixtrans-64-39.9176.2-174.3132.8000112.1L193 L194 I195 V200 L201L193-L197 WeakPolarHBondContact O-CB 3.24Å; L193-L197 PolarHBondContact O-N 3.2Å; L194-L197 PolarHBondContact O-N 3.45Å; I195-L197 VanDerWaalsContact C-N 3.34Å; I195-L197 PolarHBondContact O-N 2.93Å; L197-V200 PolarHBondContact O-N 3.07Å; L197-L201 VanDerWaalsContact O-CB 3.26Å; L197-L201 WeakPolarHBondContact O-CB 3.3Å; L197-L201 PolarHBondContact O-N 2.83Å
198L92.3Very high84.4Confident94 Ų9491.8 Ų91.849%0.49251%0.509SS..Hα-helixtrans-66-39.5174-73.3173.7000112.5L194 I195 L201 F202L194-L198 HydrophobicContact CD2-CD1 3.59Å; L194-L198 HydrophobicContact CD2-CG 3.95Å; L194-L198 WeakPolarHBondContact O-CG 3.41Å; L194-L198 PolarHBondContact O-N 3.49Å; I195-L198 PolarHBondContact O-N 3.46Å; L198-L201 PolarHBondContact O-N 2.93Å; L198-F202 WeakPolarHBondContact O-CB 3.41Å; L198-F202 PolarHBondContact O-N 3.12Å
199V94.1Very high83.8Confident81 Ų8192.6 Ų92.649%0.49151%0.51SS..Hα-helixtrans-65.7-44.9175.5171.20000110.9I195 L196 F202 V203I195-V199 HydrophobicContact CG2-CG2 4.5Å; I195-V199 WeakPolarHBondContact O-CG2 3.38Å; I195-V199 PolarHBondContact O-N 3.39Å; L196-V199 PolarHBondContact O-N 2.93Å; V199-F202 PolarHBondContact O-N 3.01Å; V199-V203 HydrophobicContact CG1-CG2 4.5Å; V199-V203 WeakPolarHBondContact O-CB 3.36Å; V199-V203 VanDerWaalsContact O-CG2 3.31Å; V199-V203 WeakPolarHBondContact O-CG2 3.3Å; V199-V203 PolarHBondContact O-N 3.36Å
200V93Very high83.2Confident87 Ų8797.4 Ų97.453%0.52752%0.52SS..Hα-helixtrans-61.8-46.9175.4170.60000110.7L196 L197 F202 V203 L204L196-V200 WeakPolarHBondContact O-CG2 3.23Å; L196-V200 PolarHBondContact O-N 2.74Å; L197-V200 PolarHBondContact O-N 3.07Å; V200-F202 VanDerWaalsContact C-N 3.35Å; V200-F202 PolarHBondContact O-N 3.31Å; V200-V203 PolarHBondContact O-N 3.21Å; V200-L204 HydrophobicContact CG1-CD1 3.84Å; V200-L204 HydrophobicContact CG1-CG 4.37Å; V200-L204 WeakPolarHBondContact O-CB 3.26Å; V200-L204 VanDerWaalsContact O-CG 3.28Å; V200-L204 WeakPolarHBondContact O-CG 3.47Å; V200-L204 PolarHBondContact O-N 3.24Å
201L89.5Confident82Confident91 Ų9197.8 Ų97.848%0.47652%0.522SS..Hα-helixtrans-59.8-45176.3-176.865.1000111.2L197 L198 V203 L204 V205L197-L201 VanDerWaalsContact O-CB 3.26Å; L197-L201 WeakPolarHBondContact O-CB 3.3Å; L197-L201 PolarHBondContact O-N 2.83Å; L198-L201 PolarHBondContact O-N 2.93Å; L201-V203 PolarHBondContact O-N 2.99Å; L201-L204 PolarHBondContact O-N 2.78Å; L201-V205 HydrophobicContact CD1-CG2 4.04Å; L201-V205 HydrophobicContact CG-CG2 4.29Å; L201-V205 VanDerWaalsContact O-CB 3.24Å; L201-V205 WeakPolarHBondContact O-CB 2.88Å; L201-V205 WeakPolarHBondContact O-CG2 3.22Å; L201-V205 PolarHBondContact O-N 2.87Å
202F87.9Confident80.5Confident129 Ų129102.4 Ų102.457%0.56654%0.536SS*.Hα-helixtrans-59.5-47.4176.4-175.8-99000111.2L198 V199 V200 L204 V205 Q206L198-F202 WeakPolarHBondContact O-CB 3.41Å; L198-F202 PolarHBondContact O-N 3.12Å; V199-F202 PolarHBondContact O-N 3.01Å; V200-F202 VanDerWaalsContact C-N 3.35Å; V200-F202 PolarHBondContact O-N 3.31Å; F202-L204 VanDerWaalsContact C-N 3.35Å; F202-L204 PolarHBondContact O-N 3.36Å; F202-V205 CarbonylContact O-C 3.53Å; F202-V205 PolarHBondContact O-N 3.25Å; F202-Q206 HydrophobicContact CD1-CG 4Å; F202-Q206 HydrophobicContact CE1-CG 3.91Å; F202-Q206 VanDerWaalsContact CE1-NE2 3.33Å; F202-Q206 HydrophobicContact CZ-CG 4.45Å; F202-Q206 VanDerWaalsContact O-CG 3.31Å; F202-Q206 WeakPolarHBondContact O-CG 3.27Å; F202-Q206 PolarHBondContact O-N 2.91Å
203V87.9Confident78.8Confident90 Ų90104.6 Ų104.655%0.54554%0.541SS..Hα-helixtrans-63.6-36.6177.6171.30000112.3V199 V200 L201 P207V199-V203 HydrophobicContact CG1-CG2 4.5Å; V199-V203 WeakPolarHBondContact O-CB 3.36Å; V199-V203 VanDerWaalsContact O-CG2 3.31Å; V199-V203 WeakPolarHBondContact O-CG2 3.3Å; V199-V203 PolarHBondContact O-N 3.36Å; V200-V203 PolarHBondContact O-N 3.21Å; L201-V203 PolarHBondContact O-N 2.99Å; V203-P207 WeakPolarHBondContact O-CD 3.29Å
204L82.2Confident77Confident120 Ų120105.2 Ų105.263%0.62854%0.54SS*.Hα-helixtrans-73.3-28.7174.7-68.1173.4000113V200 L201 F202V200-L204 HydrophobicContact CG1-CD1 3.84Å; V200-L204 HydrophobicContact CG1-CG 4.37Å; V200-L204 WeakPolarHBondContact O-CB 3.26Å; V200-L204 VanDerWaalsContact O-CG 3.28Å; V200-L204 WeakPolarHBondContact O-CG 3.47Å; V200-L204 PolarHBondContact O-N 3.24Å; L201-L204 PolarHBondContact O-N 2.78Å; F202-L204 VanDerWaalsContact C-N 3.35Å; F202-L204 PolarHBondContact O-N 3.36Å
205V80.5Confident75.1Confident55 Ų55105.5 Ų105.533%0.33354%0.542SS..Hα-helixtrans-86.6-23.6178.1171.90000112L201 F202 K208 L209L201-V205 HydrophobicContact CD1-CG2 4.04Å; L201-V205 HydrophobicContact CG-CG2 4.29Å; L201-V205 VanDerWaalsContact O-CB 3.24Å; L201-V205 WeakPolarHBondContact O-CB 2.88Å; L201-V205 WeakPolarHBondContact O-CG2 3.22Å; L201-V205 PolarHBondContact O-N 2.87Å; F202-V205 CarbonylContact O-C 3.53Å; F202-V205 PolarHBondContact O-N 3.25Å; V205-K208 CarbonylContact O-C 3.59Å; V205-K208 WeakPolarHBondContact O-CA 3.4Å; V205-K208 WeakPolarHBondContact O-CB 3.13Å; V205-K208 PolarHBondContact O-N 3.45Å; V205-L209 HydrophobicContact CG1-CD1 3.64Å; V205-L209 HydrophobicContact CG1-CG 3.7Å; V205-L209 PolarHBondContact O-N 3.49Å
206Q70.4Confident73.2Confident72 Ų72110.2 Ų110.234%0.33655%0.553SS.*Hα-helixtrans-52.3-49.1175.3-82.7-49.2-5600112.9F202 K208 L209 K210F202-Q206 HydrophobicContact CD1-CG 4Å; F202-Q206 HydrophobicContact CE1-CG 3.91Å; F202-Q206 VanDerWaalsContact CE1-NE2 3.33Å; F202-Q206 HydrophobicContact CZ-CG 4.45Å; F202-Q206 VanDerWaalsContact O-CG 3.31Å; F202-Q206 WeakPolarHBondContact O-CG 3.27Å; F202-Q206 PolarHBondContact O-N 2.91Å; Q206-K208 VanDerWaalsContact C-N 3.3Å; Q206-K208 PolarHBondContact O-N 3.41Å; Q206-L209 PolarHBondContact O-N 3.05Å; Q206-K210 WeakPolarHBondContact O-CB 3.27Å; Q206-K210 PolarHBondContact O-N 2.95Å
207P65.4Low71.1Confident84 Ų84114.8 Ų114.855%0.54556%0.563SS.*Hα-helixtrans-57.2-40.4173.2-25.632.6000113.5V203 S211V203-P207 WeakPolarHBondContact O-CD 3.29Å; P207-S211 VanDerWaalsContact O-CB 3.26Å; P207-S211 WeakPolarHBondContact O-CB 3.43Å; P207-S211 PolarHBondContact O-N 3.45Å
208K62.7Low68.9Low157 Ų157116.7 Ų116.768%0.68357%0.569SS**Hα-helixtrans-71.8-43.7-177.4-69.9-79.5-178.7168.20111.9V205 Q206 F212V205-K208 CarbonylContact O-C 3.59Å; V205-K208 WeakPolarHBondContact O-CA 3.4Å; V205-K208 WeakPolarHBondContact O-CB 3.13Å; V205-K208 PolarHBondContact O-N 3.45Å; Q206-K208 VanDerWaalsContact C-N 3.3Å; Q206-K208 PolarHBondContact O-N 3.41Å; K208-F212 PolarHBondContact O-N 2.77Å
209L58.9Low66.9Low83 Ų83120 Ų12044%0.43558%0.582SS.*Hα-helixtrans-69.5-37.9175-75.8175.9000112.2V205 Q206 S211 F212 H213V205-L209 HydrophobicContact CG1-CD1 3.64Å; V205-L209 HydrophobicContact CG1-CG 3.7Å; V205-L209 PolarHBondContact O-N 3.49Å; Q206-L209 PolarHBondContact O-N 3.05Å; L209-S211 VanDerWaalsContact C-N 3.35Å; L209-F212 PolarHBondContact O-N 3.34Å; L209-H213 WeakPolarHBondContact O-CB 3.46Å; L209-H213 PolarHBondContact O-CD2 2.69Å; L209-H213 PolarHBondContact O-N 3.4Å
210K61.4Low64.4Low161 Ų161118.7 Ų118.770%0.759%0.585SS**Hα-helixtrans-68.7-34.9177.1-160.5162.3-173.2171.40111.8Q206 H214Q206-K210 WeakPolarHBondContact O-CB 3.27Å; Q206-K210 PolarHBondContact O-N 2.95Å; K210-H214 PolarHBondContact O-N 2.93Å; K210-H214 VanDerWaalsContact O-N 3.11Å
211S58.1Low62.2Low79 Ų79121.2 Ų121.255%0.55260%0.6SS**Hα-helixtrans-63.4-45.6167.3175.10000112.1P207 L209 H213 H214 N215P207-S211 VanDerWaalsContact O-CB 3.26Å; P207-S211 WeakPolarHBondContact O-CB 3.43Å; P207-S211 PolarHBondContact O-N 3.45Å; L209-S211 VanDerWaalsContact C-N 3.35Å; S211-H213 PolarHBondContact O-N 2.84Å; S211-H214 PolarHBondContact O-N 3.11Å; S211-N215 PolarHBondContact O-N 3.46Å
212F54.7Low60.1Low150 Ų150121.6 Ų121.666%0.65861%0.61SS**Hα-helixtrans-62.6-40176.4-115.8-89.4000113.2K208 L209 N215 R216K208-F212 PolarHBondContact O-N 2.77Å; L209-F212 PolarHBondContact O-N 3.34Å; F212-N215 PolarHBondContact O-N 2.83Å; F212-R216 WeakPolarHBondContact O-CB 3.36Å; F212-R216 PolarHBondContact O-N 2.95Å
213H55Low58.6Low130 Ų130119.4 Ų119.460%0.60263%0.625SS**Hα-helixtrans-70.6-29.3176.9-93.3-90.2000113.3L209 S211 R217L209-H213 WeakPolarHBondContact O-CB 3.46Å; L209-H213 PolarHBondContact O-CD2 2.69Å; L209-H213 PolarHBondContact O-N 3.4Å; S211-H213 PolarHBondContact O-N 2.84Å; H213-R217 WeakPolarHBondContact O-CB 3.25Å; H213-R217 PolarHBondContact O-N 3.38Å; H213-R217 VanDerWaalsContact O-N 3.17Å
214H53.5Low56.5Low134 Ų134123.7 Ų123.762%0.6264%0.639SS**Hα-helixtrans-71.9-44.6172.4-14461.8000110.8K210 S211 R216 R217 E218K210-H214 PolarHBondContact O-N 2.93Å; K210-H214 VanDerWaalsContact O-N 3.11Å; S211-H214 PolarHBondContact O-N 3.11Å; H214-R216 VanDerWaalsContact C-N 3.34Å; H214-R216 PolarHBondContact O-N 2.87Å; H214-R217 PolarHBondContact O-N 2.9Å; H214-E218 PolarHBondContact O-N 3.16Å
215N51.1Low54.9Low102 Ų102123.4 Ų123.455%0.54564%0.642SS.*Hα-helixtrans-62.1-39.4176-157.47.7000112.1S211 F212 R217 Q219S211-N215 PolarHBondContact O-N 3.46Å; F212-N215 PolarHBondContact O-N 2.83Å; N215-R217 VanDerWaalsContact C-N 3.29Å; N215-R217 PolarHBondContact O-N 2.92Å; N215-Q219 PolarHBondContact O-N 3.39Å
216R50.4Low53.7Low199 Ų199125.4 Ų125.475%0.75166%0.658SS**Hα-helixtrans-71.1-19.1174.5-162.8176.5-173.5-168.12.3113.7F212 H214F212-R216 WeakPolarHBondContact O-CB 3.36Å; F212-R216 PolarHBondContact O-N 2.95Å; H214-R216 VanDerWaalsContact C-N 3.34Å; H214-R216 PolarHBondContact O-N 2.87Å
217R49.2Very low52.9Low201 Ų201124.3 Ų124.376%0.75866%0.659SS**Hα-helixtrans-85.6-30.7178.4-163.5173.2-165.81764.6112.8H213 H214 N215H213-R217 WeakPolarHBondContact O-CB 3.25Å; H213-R217 PolarHBondContact O-N 3.38Å; H213-R217 VanDerWaalsContact O-N 3.17Å; H214-R217 PolarHBondContact O-N 2.9Å; N215-R217 VanDerWaalsContact C-N 3.29Å; N215-R217 PolarHBondContact O-N 2.92Å
218E48.2Very low52.6Low151 Ų151124.8 Ų124.871%0.70666%0.656SS**Hα-helixtrans-79.5-27.2176.3-68.3-67.412600112.8H214H214-E218 PolarHBondContact O-N 3.16Å
219Q51.6Low52.4Low165 Ų165121.2 Ų121.277%0.77165%0.647SS**THydrogen-bonded Turntrans-93.819.5177.8-135.294.136.700114N215N215-Q219 PolarHBondContact O-N 3.39Å
220G41.3Very low52.1Low53 Ų53121.9 Ų121.955%0.54665%0.654SS.*  trans-114.884.5-175.900000113.2
221V46.3Very low52Low140 Ų140123.7 Ų123.785%0.84867%0.665SS**  trans-57.8137.3177.9166.60000112.5
222S46.5Very low52.2Low98 Ų98123.3 Ų123.369%0.68567%0.674SS**  trans34.3124.5155.3-158.50000119.5Q224S222-Q224 PolarHBondContact O-N 2.86Å
223G55.1Low52.4Low84 Ų84121 Ų12187%0.86667%0.671SS**  trans-63.7103.9172.400000113
224Q43.8Very low52Low180 Ų180121.4 Ų121.484%0.84167%0.673SS**  trans-106.3129159.4-80.8-172-80.400109.8S222S222-Q224 PolarHBondContact O-N 2.86Å
225T49.2Very low52.5Low113 Ų113118.9 Ų118.969%0.69367%0.667SS**  trans-66.7136.7166.944.30000109.9S227T225-S227 PolarHBondContact O-N 3.43Å
226S54.5Low53Low97 Ų97118 Ų11868%0.67867%0.67SS**  trans-65.4103.7177.7-54.30000110.2L237S226-L237 PolarHBondContact O-N 3.24Å
227S53.7Low53.5Low50 Ų50113.4 Ų113.435%0.3566%0.659SS.*EExtended strand (participates in β ladder)trans-108141.8174.8590000110.8T225 V235T225-S227 PolarHBondContact O-N 3.43Å; S227-V235 WeakPolarHBondContact CA-O 3.46Å
228I60Low54Low94 Ų94107.7 Ų107.748%0.48265%0.648SS.*EExtended strand (participates in β ladder)trans-110.5140.1171.9-167.6158.9000108.6V235 L237I228-V235 PolarHBondContact N-O 2.87Å; I228-V235 VanDerWaalsContact N-O 3.15Å; I228-V235 PolarHBondContact O-N 3.19Å; I228-L237 HydrophobicContact CG2-CD1 4.32Å; I228-L237 HydrophobicContact CG2-CD2 4.32Å; I228-L237 HydrophobicContact CG2-CG 4.33Å
229V57.6Low54.7Low82 Ų82103.2 Ų103.250%0.49763%0.634SS.*EExtended strand (participates in β ladder)trans-106.2122.6177.1179.80000108.1Q234V229-Q234 HydrophobicContact CG2-CB 4.12Å; V229-Q234 HydrophobicContact CG2-CG 4.03Å
230V53.1Low54.9Low96 Ų96104.1 Ų104.158%0.58263%0.631SS**EExtended strand (participates in β ladder)trans-124.2125.3172.3-174.70000106.7G232 V233V230-G232 PolarHBondContact O-N 2.96Å; V230-V233 PolarHBondContact N-O 3.47Å; V230-V233 PolarHBondContact O-N 2.91Å; V230-V233 VanDerWaalsContact O-N 3.16Å
231E58.5Low55.7Low200 Ų200107.2 Ų107.294%0.93563%0.631SS**THydrogen-bonded Turntrans50.433.7179-61.1-175.3159.300115.1
232G62.1Low56.4Low71 Ų71105.5 Ų105.573%0.73261%0.614SS**THydrogen-bonded Turntrans87.4-3.3173.900000115.7V230V230-G232 PolarHBondContact O-N 2.96Å
233V58.9Low57Low100 Ų100104.4 Ų104.461%0.60661%0.611SS**EExtended strand (participates in β ladder)trans-100.2129.5172.3-1750000109.4V230V230-V233 PolarHBondContact N-O 3.47Å; V230-V233 PolarHBondContact O-N 2.91Å; V230-V233 VanDerWaalsContact O-N 3.16Å
234Q48.4Very low56.8Low139 Ų139103.9 Ų103.965%0.6559%0.591SS**EExtended strand (participates in β ladder)trans-92.6119.4-178.5-171.1172.798.900109.9V229V229-Q234 HydrophobicContact CG2-CB 4.12Å; V229-Q234 HydrophobicContact CG2-CG 4.03Å
235V62.8Low57.4Low81 Ų81104.7 Ų104.749%0.49159%0.587SS.*EExtended strand (participates in β ladder)trans-114.5123.6-179.8-174.10000109.2S227 I228S227-V235 WeakPolarHBondContact CA-O 3.46Å; I228-V235 PolarHBondContact N-O 2.87Å; I228-V235 VanDerWaalsContact N-O 3.15Å; I228-V235 PolarHBondContact O-N 3.19Å
236S62.8Low57.4Low85 Ų85101.4 Ų101.459%0.59458%0.576SS**EExtended strand (participates in β ladder)trans-74.6124.7172.151.70000110.1
237L59.5Low57.2Low102 Ų102101.8 Ų101.853%0.53458%0.579SS.*PPolyproline II helixtrans-79.9139.4173.6-63.9172.1000109.8S226 I228S226-L237 PolarHBondContact O-N 3.24Å; I228-L237 HydrophobicContact CG2-CD1 4.32Å; I228-L237 HydrophobicContact CG2-CD2 4.32Å; I228-L237 HydrophobicContact CG2-CG 4.33Å
238P60.6Low57Low81 Ų81105.1 Ų105.153%0.52660%0.602SS.*PPolyproline II helixtrans-65.1152.3175.228.3-34.5000110.8E242P238-E242 HydrophobicContact CB-CB 4.3Å; P238-E242 HydrophobicContact CB-CG 4.42Å; P238-E242 WeakPolarHBondContact CB-OE2 3.34Å
239S62.4Low56.1Low57 Ų57103.5 Ų103.540%0.39961%0.609SS.*PPolyproline II helixtrans-71.3159.6175.8-163.80000111.2E241 E242 A243S239-E241 VanDerWaalsContact C-N 3.29Å; S239-E241 WeakPolarHBondContact CB-OE1 3.48Å; S239-E241 PolarHBondContact O-N 2.91Å; S239-E241 PolarHBondContact OG-OE1 2.75Å; S239-E241 PolarHBondContact OG-OE2 2.97Å; S239-E241 VanDerWaalsContact OG-OE2 3.08Å; S239-E242 WeakPolarHBondContact O-CB 3.31Å; S239-E242 PolarHBondContact O-N 2.81Å; S239-A243 PolarHBondContact O-N 2.92Å; S239-A243 VanDerWaalsContact O-N 3.16Å
240Y56.1Low55.4Low183 Ų183105.4 Ų105.472%0.71862%0.623SS**Hα-helixtrans-57.8-41-176.6174.9-100.5000112.1E242 A243 V244Y240-E242 VanDerWaalsContact C-N 3.29Å; Y240-E242 PolarHBondContact O-N 3.31Å; Y240-A243 PolarHBondContact O-N 3.2Å; Y240-V244 HydrophobicContact CD1-CG2 4.48Å; Y240-V244 HydrophobicContact CD2-CG2 4.1Å; Y240-V244 HydrophobicContact CE1-CG2 4.15Å; Y240-V244 HydrophobicContact CE2-CG2 3.74Å; Y240-V244 HydrophobicContact CG-CG2 4.46Å; Y240-V244 WeakPolarHBondContact O-CB 3.34Å; Y240-V244 VanDerWaalsContact O-CG2 3.3Å; Y240-V244 WeakPolarHBondContact O-CG2 3.46Å; Y240-V244 PolarHBondContact O-N 2.86Å; Y240-V244 VanDerWaalsContact O-N 3.12Å
241E58.1Low54.5Low118 Ų118107.2 Ų107.255%0.55164%0.638SS**Hα-helixtrans-61.5-32.8175.156.3-82.4-179.100113.9S239 Y245S239-E241 VanDerWaalsContact C-N 3.29Å; S239-E241 WeakPolarHBondContact CB-OE1 3.48Å; S239-E241 PolarHBondContact O-N 2.91Å; S239-E241 PolarHBondContact OG-OE1 2.75Å; S239-E241 PolarHBondContact OG-OE2 2.97Å; S239-E241 VanDerWaalsContact OG-OE2 3.08Å; E241-Y245 PolarHBondContact O-N 3Å; E241-Y245 VanDerWaalsContact O-N 3.17Å
242E59.7Low53.2Low105 Ų105100.8 Ų100.849%0.49163%0.625SS.*Hα-helixtrans-78-35.4-178-166.8173.1-15300111.7P238 S239 Y240 G246P238-E242 HydrophobicContact CB-CB 4.3Å; P238-E242 HydrophobicContact CB-CG 4.42Å; P238-E242 WeakPolarHBondContact CB-OE2 3.34Å; S239-E242 WeakPolarHBondContact O-CB 3.31Å; S239-E242 PolarHBondContact O-N 2.81Å; Y240-E242 VanDerWaalsContact C-N 3.29Å; Y240-E242 PolarHBondContact O-N 3.31Å; E242-G246 PolarHBondContact O-N 3.3Å
243A59.1Low51.8Low75 Ų75106.7 Ų106.762%0.6264%0.636SS**Hα-helixtrans-74.2-2817500000113.9S239 Y240S239-A243 PolarHBondContact O-N 2.92Å; S239-A243 VanDerWaalsContact O-N 3.16Å; Y240-A243 PolarHBondContact O-N 3.2Å
244V51.5Low50.8Low72 Ų72107.6 Ų107.644%0.43665%0.647SS.*Hα-helixtrans-89.5-36.4-177.2173.50000113Y240Y240-V244 HydrophobicContact CD1-CG2 4.48Å; Y240-V244 HydrophobicContact CD2-CG2 4.1Å; Y240-V244 HydrophobicContact CE1-CG2 4.15Å; Y240-V244 HydrophobicContact CE2-CG2 3.74Å; Y240-V244 HydrophobicContact CG-CG2 4.46Å; Y240-V244 WeakPolarHBondContact O-CB 3.34Å; Y240-V244 VanDerWaalsContact O-CG2 3.3Å; Y240-V244 WeakPolarHBondContact O-CG2 3.46Å; Y240-V244 PolarHBondContact O-N 2.86Å; Y240-V244 VanDerWaalsContact O-N 3.12Å
245Y56.6Low50.3Low197 Ų197104.6 Ų104.677%0.77365%0.653SS**Hα-helixtrans-106.5-14.8-173.6-72-74.5000115.4E241E241-Y245 PolarHBondContact O-N 3Å; E241-Y245 VanDerWaalsContact O-N 3.17Å
246G50Low49.3Very low44 Ų44107.2 Ų107.245%0.45467%0.672SS.*  trans72.7135.1179.100000113.2E242 S248E242-G246 PolarHBondContact O-N 3.3Å; G246-S248 PolarHBondContact O-N 3.13Å
247S50.7Low48.1Very low106 Ų106108.7 Ų108.774%0.74168%0.683SS**  trans-68.898.1-179.2-1670000111.2G249S247-G249 PolarHBondContact O-N 3.21Å
248S48.5Very low47.6Very low120 Ų120109.9 Ų109.984%0.83970%0.696SS**  trans-99.861.1175.339.80000111G246G246-S248 PolarHBondContact O-N 3.13Å
249G40.4Very low46.4Very low60 Ų60111.5 Ų111.562%0.61971%0.71SS**  trans-78.5148.4165.500000111.9S247S247-G249 PolarHBondContact O-N 3.21Å
250P44.3Very low45.8Very low121 Ų121114.5 Ų114.579%0.78673%0.728SS**  trans-99.4172.7-154.738.3-38000116.6
251C33.1Very low45.8Very low134 Ų134111.6 Ų111.691%0.90573%0.731SS**  trans105121.4168.7-60.60000114.8
252G32.4Very low45.2Very low65 Ų65112.2 Ų112.267%0.6775%0.746SS**  cis-176.9-173-2.100000112.2
253M31.6Very low44.1Very low195 Ų195111.8 Ų111.896%0.96176%0.76SS**  trans73.4130-170.4-48.5171.774.500113.5
254S37.7Very low43.4Very low120 Ų120113.2 Ų113.284%0.83977%0.772SS**  cis-163.7144.2-6.446.70000110.3
255G37.6Very low42.7Very low75 Ų75114.5 Ų114.577%0.77379%0.79SS**  trans140.7141.5171.300000114.2
256P42.6Very low42.2Very low137 Ų137111 Ų11189%0.8979%0.791SS**PPolyproline II helixtrans-100.6172.7-157.538.5-35.7000117
257S38.5Very low42.3Very low116 Ų116114.7 Ų114.781%0.81181%0.807SS**PPolyproline II helixtrans-60.8163.1-172.1-79.40000118.1
258P47.8Very low41.5Very low127 Ų127118.9 Ų118.983%0.82582%0.815SS**PPolyproline II helixtrans-87.6168.7-173.837-38.4000114.6
259S35.4Very low40.9Very low115 Ų115118.2 Ų118.280%0.80481%0.811SS**  trans-135158.9165.560.70000111.1
260P50.7Low40.9Very low119 Ų119127.5 Ų127.577%0.77383%0.827SS**  trans-93.9174.9-150.438.7-38.1000114.7
261P56Low40.6Very low122 Ų122127.3 Ų127.379%0.79282%0.823SS**  trans-89.1164.6-16336.7-36.5000114
262P44.3Very low41Very low132 Ų132126.2 Ų126.286%0.85782%0.815SS**  trans-118.9167.1151.829.4-13.4000113
263A37.8Very low41.3Very low95 Ų95130.5 Ų130.579%0.78582%0.821SS**  trans-100.7163.1-16600000115
264A43.8Very low41.5Very low106 Ų106127 Ų12788%0.87681%0.809SS**  trans48.4119.7150.300000120.5
265A37.4Very low41.3Very low99 Ų99129.3 Ų129.382%0.81881%0.812SS**  trans-143.5154.7157.500000110.9
266P45.2Very low41.2Very low123 Ų123131.4 Ų131.480%0.79982%0.815SS**  trans-92.8-177.7-166.340.7-38.5000113.3
267P51.8Low41Very low122 Ų122134.5 Ų134.579%0.79282%0.817SS**  trans-95.1139-161.235.7-31.9000114.3
268E33.6Very low40.8Very low194 Ų194132.4 Ų132.491%0.90781%0.814SS**  trans-140.9146.6164.8-72-159.5138.600114.3
269S36.9Very low40.1Very low106 Ų106134.6 Ų134.674%0.74182%0.818SS**  trans50.997.4156.4-152.70000119.9
270R40.6Very low40.4Very low254 Ų254134.9 Ų134.996%0.95882%0.817SS**  trans-107.2111.6151.5-75.4-171.5178.3-132.40.7109.8
271V38.1Very low39.8Very low117 Ų117138.9 Ų138.971%0.70983%0.825SS**PPolyproline II helixtrans-87.1132.8169.1178.20000108.9
272P40.3Very low38.7Very low112 Ų112136.8 Ų136.873%0.72783%0.826SS**PPolyproline II helixtrans-80138.5177.331.7-33.6000111.8
273I39.4Very low38.2Very low155 Ų155135.2 Ų135.280%0.79582%0.824SS**PPolyproline II helixtrans-98.7126.1169.1-62.6174.2000108.1
274V35.5Very low38Very low120 Ų120135.9 Ų135.973%0.72783%0.83SS**PPolyproline II helixtrans-87.3133175.5176.80000109
275L33.6Very low37.3Very low169 Ų169135 Ų13589%0.88583%0.831SS**PPolyproline II helixtrans-102.6125.2169.6-74.6167.6000109.3
276S36.6Very low37Very low120 Ų120133.6 Ų133.684%0.83983%0.826SS**PPolyproline II helixtrans-100.8122.5176.2-54.60000109.2
277E37.7Very low36.2Very low201 Ų201137 Ų13794%0.93983%0.831SS**  trans-106.1116.6177.5-143.8171.9162.900110.2
278G34.3Very low35.2Very low72 Ų72135.7 Ų135.774%0.74283%0.825SS**PPolyproline II helixtrans-99.2140-179.600000111.8
279L33.6Very low34.9Very low174 Ų174131.9 Ų131.991%0.91182%0.82SS**PPolyproline II helixtrans-84.4130.1-179.1-15279.8000111.5
280P41.4Very low34.7Very low120 Ų120132 Ų13278%0.77982%0.821SS**PPolyproline II helixtrans-85.9158.2-179.332.9-34000113.9
281Q36.7Very low34.1Very low203 Ų203130.8 Ų130.895%0.94982%0.816SS**  trans-108.3154.5-179.8-70.9178.6-21.800113.3
282G32.9Very low33.7Very low78 Ų78129.5 Ų129.580%0.80481%0.813SS**  trans133.7143.5154.400000115
283A34.1Very low33.2Very low100 Ų100134.5 Ų134.583%0.82682%0.817SS**  cis-167168.4-9.200000112.3
284A34.4Very low32.7Very low109 Ų109134.1 Ų134.190%0.90181%0.812SS**  trans94.3133.4147.900000122.1
285G29.1Very low32.4Very low87 Ų87136.4 Ų136.490%0.89781%0.814SS**  trans119114.2169.900000113.4
286G30.6Very low32.2Very low70 Ų70138 Ų13872%0.72281%0.808SS**  cis159133.9-8.600000111.4
287Q29.7Very low31.9Very low194 Ų194138.2 Ų138.291%0.90780%0.796SS**  trans67.7154.5174.3-56.9-178.233.100116.6
288S29Very low31.7Very low94 Ų94135.2 Ų135.266%0.65779%0.786SS**  cis172.9127-41.450.80000107.7
289S28.7Very low31.4Very low114 Ų114138 Ų13880%0.79778%0.784SS**  trans154.8132.4132.4-730000115
290S31.2Very low31.1Very low110 Ų110138.8 Ų138.877%0.76978%0.78SS**  trans-30.8155.1163.449.60000117
291R29.3Very low30.5Very low228 Ų228138.6 Ų138.686%0.8678%0.78SS**  -177.612662.3-179.5166.8-173.4174.83.7114.5
292S29.5Very low30.1Very low90 Ų90136.8 Ų136.863%0.62978%0.776SS**  trans27.6136150.372.60000121.5
293R29.4Very low30.5Very low216 Ų216138 Ų13882%0.81577%0.77SS**  -173.6140.971.9-105.5-176.2169.6162.5-2.4114.5
294Q29.9Very low30.7Very low148 Ų148139.2 Ų139.269%0.69277%0.773SS**  trans52.9107.5136.9-70.7170.7-74.100123.5
295H27.7Very low30.4Very low167 Ų167139.5 Ų139.577%0.77376%0.763SS**  72.3131.9113.6-108.2-64.3000124.2
296R30.1Very low30.6Very low202 Ų202140.1 Ų140.176%0.76275%0.754SS**  trans76.8149.1154.5-64.7-160122.7125.18.8118.9
297E30.6Very low30.6Very low126 Ų126141.9 Ų141.959%0.58976%0.755SS**  cis-172.1171.6-27.6-157.3162.6135.500107.3
298L33.4Very low30.6Very low138 Ų138138.2 Ų138.272%0.72375%0.751SS**  trans74.1106.3170.1-50.4169000114.9
299D27.3Very low30.6Very low131 Ų131139.1 Ų139.170%0.70176%0.757SS**  91.6121.464.8-83.1-38.6000112.8
300F28.8Very low30.5Very low190 Ų190142.9 Ų142.983%0.83376%0.76SS**  178.6132.1109-110.5-93.8000114
301C27.3Very low30.4Very low115 Ų115143.1 Ų143.178%0.77776%0.761SS**  trans53.2106.9153-74.60000124.1
302L30.2Very low30.4Very low165 Ų165137 Ų13786%0.86475%0.753SS**  trans-55.9-178.4140.1-60169.6000112.5
303P40.8Very low30.5Very low104 Ų104143.4 Ų143.468%0.67576%0.763SS**  cis-135.9169.12.834.9-14.6000117.3
304S37.2Very low30.6Very low126 Ų126144.8 Ų144.888%0.88177%0.769SS**  trans-98.7136.2147.5-60.80000109.5
305T28.8Very low30.7Very low115 Ų115146.9 Ų146.971%0.70678%0.778SS**  trans-126.5107.816935.40000107.5
306S33.5Very low30.8Very low100 Ų100143.6 Ų143.670%0.69978%0.78SS**  63.7128.487.174.90000112.6
307S30.1Very low31Very low106 Ų106142.7 Ų142.774%0.74179%0.785SS**  cis156.6130.90.244.40000105.5
308S29.1Very low31.1Very low118 Ų118143.7 Ų143.783%0.82580%0.799SS**  trans-170.789.1158.335.70000114.5
309S29.7Very low31Very low113 Ų113143.3 Ų143.379%0.7980%0.803SS**  36.1128.2124.7-49.60000123.1
310F27.5Very low31.3Very low193 Ų193145.2 Ų145.285%0.84681%0.812SS**  trans80.1106.9134.3-109.8-101.7000121.1
311S27.5Very low31.4Very low115 Ų115142.2 Ų142.280%0.80481%0.808SS**  -177154.499.4-82.50000116.1
312S30Very low31.7Very low98 Ų98145.6 Ų145.669%0.68581%0.812SS**  trans-61.2153.3-174.5-111.40000118.8
313R31.4Very low31.7Very low225 Ų225146.8 Ų146.885%0.84981%0.814SS**  trans60.5118.5146.4-61.2174.2-174.8-168.71119
314R31.3Very low31.2Very low246 Ų246145.9 Ų145.993%0.92882%0.815SS**  -179159.793.8-91179.5-162.1-145.54.2110.8
315H33Very low31.2Very low191 Ų191146.3 Ų146.388%0.88482%0.815SS**  trans-62.7142.6169.4-83.1-96.1000112
316A29.9Very low31.2Very low99 Ų99146.4 Ų146.482%0.81882%0.82SS**  trans-156.5127.6143.400000109
317E32.9Very low31Very low183 Ų183147.3 Ų147.386%0.85583%0.827SS**  trans-85.1145.3172.5-62.3165.5118.200110.3
318T33.7Very low31.1Very low146 Ų146147.9 Ų147.990%0.89683%0.83SS**  trans-146.8112.8152.148.60000109.5
319V31.8Very low31.3Very low131 Ų131147.8 Ų147.879%0.79483%0.83SS**  trans-109.8129.3167.8175.20000107.9V321V319-V321 PolarHBondContact O-N 3.43Å
320L32.2Very low31Very low171 Ų171148.9 Ų148.990%0.89584%0.836SS**  trans-74.2115.6178-75.5160000110
321V32Very low31.3Very low126 Ų126145.3 Ų145.376%0.76484%0.835SS**PPolyproline II helixtrans-96.8119.5174.4178.60000109.4V319V319-V321 PolarHBondContact O-N 3.43Å
322H32.3Very low31.3Very low186 Ų186145.3 Ų145.386%0.86184%0.835SS**PPolyproline II helixtrans-79130165.1-83.6-85.7000110.1
323Q31Very low31.4Very low190 Ų190145.4 Ų145.489%0.88884%0.835SS**PPolyproline II helixtrans-80142177.2-67.8175-17.400111.4
324A31.1Very low31.4Very low85 Ų85140.8 Ų140.870%0.70283%0.833SS**  trans-111.2142.7158.600000108.7
325P36.7Very low31.3Very low136 Ų136134.9 Ų134.988%0.88383%0.829SS**  trans-78.3146.2-177.531.3-34.4000112.4
326S28.6Very low31.2Very low117 Ų117138.2 Ų138.282%0.81883%0.834SS**  trans-117127.5-176.9-43.20000112.3
327S30.2Very low31.1Very low119 Ų119138 Ų13883%0.83283%0.832SS**  trans-178.5148.7152.650.20000108.7
328S32.3Very low31.1Very low117 Ų117140 Ų14082%0.81883%0.832SS**  cis-163.1144.7-14.942.30000107.9
329S31.7Very low31Very low116 Ų116141.8 Ų141.881%0.81183%0.83SS**  trans-71.3146.6-176.5-40.20000113.9
330C24.6Very low30.9Very low136 Ų136143.2 Ų143.292%0.91983%0.828SS**  trans-163.3143.3140.9-101.90000111.6
331S32.3Very low30.9Very low119 Ų119143.6 Ų143.683%0.83283%0.83SS**  trans-116.3134.7-174.2-46.50000111.3
332S29.3Very low31Very low115 Ų115142.1 Ų142.180%0.80483%0.831SS**  trans-170.8110.3155.339.70000115.2
333S31.7Very low31Very low99 Ų99137 Ų13769%0.69283%0.828SS**  trans32.7123.6134.7590000123.5
334T30.3Very low31.1Very low129 Ų129132.4 Ų132.479%0.79182%0.823SS**  trans56.5125.6137.854.60000122.3
335S29.8Very low31.1Very low121 Ų121140.9 Ų140.985%0.84684%0.837SS**  172.3169.2112.648.10000112.8
336W31.1Very low30.9Very low262 Ų262139.3 Ų139.399%0.99284%0.835SS**  trans-99.9139-174.4-60.4-6.5000113.8
337A27.9Very low31.1Very low95 Ų95137 Ų13779%0.78583%0.83SS**  trans-175.2140.9149.800000107
338R33Very low32.1Very low223 Ų223138 Ų13884%0.84283%0.833SS**  cis79.470.217.1-152.6-172.4-172.1138.54.9117.6
339E30.3Very low32.3Very low185 Ų185140 Ų14086%0.86484%0.835SS**  trans-134.7123.8148-62.7-172.612000106.6
340H30.3Very low33.2Very low160 Ų160139.8 Ų139.874%0.74183%0.83SS**  57.8103.566.2-89.4-79.8000115.2
341L33.4Very low33.5Very low180 Ų180140.2 Ų140.294%0.94282%0.823SS**  trans-143.9121.9149.1-118.9160.8000108.7
342A33.7Very low33.4Very low94 Ų94144.8 Ų144.878%0.77782%0.822SS**  trans-110.2144.8178.300000109.5
343G31Very low33.5Very low79 Ų79150.6 Ų150.681%0.81483%0.826SS**  trans-164.596.6176.800000110
344A33.3Very low33.6Very low93 Ų93152.5 Ų152.577%0.76983%0.828SS**  trans-76.9173.517800000111.9
345W31.2Very low34Very low264 Ų264152.2 Ų152.2100%183%0.832SS**  -168.4168.3121-103.645.9000109.5
346A32.9Very low34.4Very low102 Ų102155.4 Ų155.484%0.84383%0.833SS**  trans-89.2166.2-152.900000117.2
347G33.1Very low34.5Very low70 Ų70147.7 Ų147.772%0.72282%0.819SS**  trans-78.8-161.6175.400000115.1
348P50.6Low34.9Very low138 Ų138148.2 Ų148.290%0.89682%0.817SS**  -143.4173.267.137.4-18.7000117.8
349L37.6Very low35.6Very low161 Ų161144.6 Ų144.684%0.84381%0.814SS**  trans-76.8158.7177.8-91166.9000113.8
350P50.8Low36.1Very low111 Ų111143.8 Ų143.872%0.72181%0.811SS**  -146.4-168.182.543.3-23.7000113.5
351L29.6Very low36.4Very low145 Ų145143.3 Ų143.376%0.75981%0.809SS**  cis-158.3106.97.1-144.2163.7000113
352R31.1Very low36.5Very low214 Ų214140.5 Ų140.581%0.80880%0.804SS**  trans33.2126.9144-154.6-174.2-157148.24.3121.8
353R30.8Very low36.8Very low237 Ų237143.4 Ų143.489%0.89481%0.806SS**  -172.4136.4112.6-135.5179.2-163.5103.4-0.3114.7
354D33.6Very low37.2Very low139 Ų139146.9 Ų146.974%0.74381%0.805SS**  trans-96.9165.8176.5-42-88.3000112.8
355S38Very low37.3Very low124 Ų124147.3 Ų147.387%0.86780%0.802SS**  trans-166.2114.5145.6-1230000113.6
356E38.2Very low37.5Very low187 Ų187140.8 Ų140.887%0.87479%0.791SS**  trans-64.9175.5149.4-71168.756.700110.1
357S35.1Very low38Very low100 Ų100142 Ų14270%0.69979%0.788SS**  cis-162.3164.56.9109.70000109.9
358S36.1Very low38.2Very low106 Ų106144.4 Ų144.474%0.74179%0.794SS**  149.1123.9121.8-165.80000114
359D47.1Very low38Very low147 Ų147143.9 Ų143.979%0.78679%0.788SS**  trans-73.7163.4164.9-53.8-81.7000112.5
360Q41.3Very low38.4Very low168 Ų168144.1 Ų144.179%0.78579%0.79SS**  -179.9143.4113.4-100.3178.332.500116.4
361H35.3Very low38Very low151 Ų151145.7 Ų145.770%0.69979%0.788SS**  trans54.1113.2153.2-70.9-73.2000122.3
362S36.5Very low38.4Very low121 Ų121147.7 Ų147.785%0.84679%0.791SS**  -162.7147.696.1-790000112.6
363L40.3Very low38.8Very low155 Ų155141.5 Ų141.581%0.81279%0.785SS**  trans-109.2171.9-175.7-76.3169.7000112.2
364L38.7Very low39.6Very low152 Ų152137.1 Ų137.180%0.79678%0.78SS**  trans119.9105.3154.3-62.3176.2000112.1
365S35.7Very low40.2Very low102 Ų102138.2 Ų138.271%0.71379%0.786SS**  78.8140.676.4-65.90000112
366V35.7Very low40.8Very low127 Ų127138.9 Ų138.977%0.7778%0.778SS**  cis-157.9172.20.4117.80000109.5
367T42.4Very low41.6Very low126 Ų126136 Ų13677%0.77378%0.776SS**  trans-54.6150.9176.6560000116.5
368S37.2Very low42.1Very low122 Ų122138.1 Ų138.185%0.85378%0.778SS**  trans-150.6126.4142.859.10000111.4
369V47.2Very low42.6Very low127 Ų127140.7 Ų140.777%0.7778%0.783SS**  trans-87138.9163.8175.20000106.9
370D46.7Very low42.7Very low166 Ų166143.4 Ų143.489%0.88879%0.788SS**  trans-157.9158.4147.9-115.2-45.4000112.2
371E40.9Very low43.1Very low144 Ų144144.2 Ų144.267%0.67379%0.792SS**  trans-123.2171.9-162.1-164.1171.3116.200110.3
372F37.7Very low43.7Very low186 Ų186145.5 Ų145.582%0.81683%0.828SS**  trans69.9150176.4-67.3-86.7000116.9
373A40.7Very low44.1Very low84 Ų84146.7 Ų146.769%0.69483%0.827SS**  cis-148.3174.7-1.700000111.4
374D47Very low44.3Very low145 Ų145146.3 Ų146.378%0.77583%0.828SS**  trans-50.2153.5167.3-55.7-99.6000115
375D46.8Very low44.6Very low162 Ų162145.9 Ų145.987%0.86683%0.83SS**  -161.5141.2123.2-118.4-32.3000113.9
376I50.8Low45.1Very low139 Ų139148.5 Ų148.571%0.71384%0.836SS**  trans-108.6142.8175.3-67.5164.7000108.2
377P55.3Low45.7Very low126 Ų126149.9 Ų149.982%0.81884%0.841SS**  trans-122.5132.6146.6713.9000113.2
378L44.3Very low45.9Very low145 Ų145151.5 Ų151.576%0.75985%0.845SS**  trans-78.7153.5169.5-75.4162.1000112
379L47Very low46.6Very low159 Ų159153.6 Ų153.683%0.83285%0.845SS**  trans43.9116.4143.1-68.4162.6000119.2
380K49.3Very low46.5Very low204 Ų204155.6 Ų155.689%0.88785%0.85SS**  trans-130.4128.5147.6-166.670.1-179.9177.70109.8
381E49.8Very low46.5Very low186 Ų186154.8 Ų154.887%0.86985%0.847SS**  trans-69.4148.3176.6-56.8-179.513500112.5
382A48.3Very low47Very low177 Ų177155.7 Ų155.7100%1.46386%0.863SS**  trans-157.90151.800000109

Retrieved 382 of 382 residues in 194.3 ms (Link to these results)