A0A5K4EEI9_SCHMA Loading...

Ig-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EEI9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 328 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
1M47.9Very low48.7Very low193 Ų193115.3 Ų115.395%0.95156%0.563SS**  0-56.70-134.4161.4172.500111F3 R4 D5M1-F3 VanDerWaalsContact C-N 3.29Å; M1-F3 PolarHBondContact O-N 3.43Å; M1-F3 VanDerWaalsContact O-N 3.08Å; M1-R4 PolarHBondContact O-N 3.05Å; M1-D5 PolarHBondContact O-N 3.39Å
2L46.8Very low49.4Very low155 Ų155111.3 Ų111.381%0.81255%0.551SS**Hα-helixtrans-45.5-39.5176.7-81154.9000116.4R4 F6L2-R4 PolarHBondContact O-N 3.13Å; L2-F6 WeakPolarHBondContact O-CB 3.23Å; L2-F6 PolarHBondContact O-N 3.5Å; L2-F6 VanDerWaalsContact O-N 3.15Å
3F42.6Very low49.9Very low126 Ų126111.3 Ų111.355%0.55355%0.553SS**Hα-helixtrans-68.7-33.1-178.1-158.8-100.2000113.5M1 L7 M305M1-F3 VanDerWaalsContact C-N 3.29Å; M1-F3 PolarHBondContact O-N 3.43Å; M1-F3 VanDerWaalsContact O-N 3.08Å; F3-L7 HydrophobicContact CD1-CD1 3.7Å; F3-L7 HydrophobicContact CE1-CD1 3.61Å; F3-L7 PolarHBondContact O-N 3.31Å; F3-M305 HydrophobicContact CE2-CE 4.06Å; F3-M305 HydrophobicContact CZ-CE 4.18Å
4R44.7Very low49.8Very low175 Ų175108.5 Ų108.566%0.6654%0.54SS*.Hα-helixtrans-74.5-40.2179.2-164.8178.779.2179.96.9111M1 L2 F6 L7 L8M1-R4 PolarHBondContact O-N 3.05Å; L2-R4 PolarHBondContact O-N 3.13Å; R4-F6 VanDerWaalsContact C-N 3.34Å; R4-L7 PolarHBondContact O-N 2.94Å; R4-L8 PolarHBondContact O-N 3.49Å
5D48.1Very low50Low84 Ų84106 Ų10645%0.44953%0.533SS..Hα-helixtrans-70.1-34-178.9-58.3-28.6000111.3M1 L8 T9M1-D5 PolarHBondContact O-N 3.39Å; D5-L8 PolarHBondContact O-N 2.98Å; D5-T9 PolarHBondContact O-N 2.83Å; D5-T9 VanDerWaalsContact O-N 3.12Å; D5-T9 PolarHBondContact O-OG1 3.44Å
6F48.3Very low50.1Low113 Ų113106.8 Ų106.850%0.49654%0.538SS..Hα-helixtrans-70-40.6173.9-161.4-103.9000113L2 R4 L8 T9 I10 M305L2-F6 WeakPolarHBondContact O-CB 3.23Å; L2-F6 PolarHBondContact O-N 3.5Å; L2-F6 VanDerWaalsContact O-N 3.15Å; R4-F6 VanDerWaalsContact C-N 3.34Å; F6-L8 VanDerWaalsContact C-N 3.32Å; F6-L8 PolarHBondContact O-N 2.82Å; F6-T9 VanDerWaalsContact CA-OG1 3.29Å; F6-T9 WeakPolarHBondContact CA-OG1 3.31Å; F6-T9 PolarHBondContact O-N 3.41Å; F6-T9 PolarHBondContact O-OG1 3.42Å; F6-T9 VanDerWaalsContact O-OG1 3.05Å; F6-I10 HydrophobicContact CD1-CD1 3.71Å; F6-I10 HydrophobicContact CD1-CG1 4.39Å; F6-I10 HydrophobicContact CE1-CD1 3.29Å; F6-I10 HydrophobicContact CE1-CG1 4.18Å; F6-I10 HydrophobicContact CZ-CD1 3.97Å; F6-I10 PolarHBondContact O-N 3.34Å; F6-M305 HydrophobicContact CE1-SD 4.33Å
7L44.3Very low50.1Low77 Ų77102.6 Ų102.640%0.40352%0.521SS..Hα-helixtrans-62.3-38.9172.5-91.2159.8000112F3 R4 T9 N11F3-L7 HydrophobicContact CD1-CD1 3.7Å; F3-L7 HydrophobicContact CE1-CD1 3.61Å; F3-L7 PolarHBondContact O-N 3.31Å; R4-L7 PolarHBondContact O-N 2.94Å; L7-T9 VanDerWaalsContact C-N 3.34Å; L7-N11 VanDerWaalsContact O-CB 3.29Å; L7-N11 WeakPolarHBondContact O-CB 3.23Å; L7-N11 PolarHBondContact O-N 3.32Å; L7-N11 PolarHBondContact O-ND2 3.2Å
8L51.7Low50.1Low110 Ų110102.1 Ų102.158%0.57652%0.519SS*.Hα-helixtrans-65.7-38176.7-130.6100.4000111.8R4 D5 F6 T12R4-L8 PolarHBondContact O-N 3.49Å; D5-L8 PolarHBondContact O-N 2.98Å; F6-L8 VanDerWaalsContact C-N 3.32Å; F6-L8 PolarHBondContact O-N 2.82Å; L8-T12 WeakPolarHBondContact O-CB 3.38Å; L8-T12 VanDerWaalsContact O-CG2 3.3Å; L8-T12 WeakPolarHBondContact O-CG2 3.49Å; L8-T12 PolarHBondContact O-N 3.43Å; L8-T12 PolarHBondContact O-OG1 2.87Å
9T57.3Low49.8Very low72 Ų72104.5 Ų104.544%0.44253%0.526SS..Hα-helixtrans-71.8-42178.421.30000112D5 F6 L7 T12 I13D5-T9 PolarHBondContact O-N 2.83Å; D5-T9 VanDerWaalsContact O-N 3.12Å; D5-T9 PolarHBondContact O-OG1 3.44Å; F6-T9 VanDerWaalsContact CA-OG1 3.29Å; F6-T9 WeakPolarHBondContact CA-OG1 3.31Å; F6-T9 PolarHBondContact O-N 3.41Å; F6-T9 PolarHBondContact O-OG1 3.42Å; F6-T9 VanDerWaalsContact O-OG1 3.05Å; L7-T9 VanDerWaalsContact C-N 3.34Å; T9-T12 VanDerWaalsContact CA-OG1 3.32Å; T9-T12 WeakPolarHBondContact CA-OG1 3.36Å; T9-T12 PolarHBondContact O-N 3.32Å; T9-T12 PolarHBondContact O-OG1 2.81Å; T9-I13 WeakPolarHBondContact O-CB 3.43Å; T9-I13 WeakPolarHBondContact O-CD1 3.48Å; T9-I13 WeakPolarHBondContact O-CG1 3.35Å; T9-I13 PolarHBondContact O-N 2.89Å
10I50.2Low49.5Very low73 Ų73101.2 Ų101.237%0.37452%0.515SS..Hα-helixtrans-65.8-45.8175.5-69.9178.6000110.8F6 T12 I13 L14F6-I10 HydrophobicContact CD1-CD1 3.71Å; F6-I10 HydrophobicContact CD1-CG1 4.39Å; F6-I10 HydrophobicContact CE1-CD1 3.29Å; F6-I10 HydrophobicContact CE1-CG1 4.18Å; F6-I10 HydrophobicContact CZ-CD1 3.97Å; F6-I10 PolarHBondContact O-N 3.34Å; I10-T12 VanDerWaalsContact C-N 3.33Å; I10-T12 PolarHBondContact O-N 2.95Å; I10-I13 PolarHBondContact O-N 3.14Å; I10-L14 VanDerWaalsContact O-CB 3.29Å; I10-L14 WeakPolarHBondContact O-CB 3.31Å; I10-L14 PolarHBondContact O-N 3.48Å
11N54.2Low49.2Very low90 Ų90100.4 Ų100.448%0.48151%0.51SS..Hα-helixtrans-64.4-38.2178.5-77.2-19.3000111.7L7 L14 V15L7-N11 VanDerWaalsContact O-CB 3.29Å; L7-N11 WeakPolarHBondContact O-CB 3.23Å; L7-N11 PolarHBondContact O-N 3.32Å; L7-N11 PolarHBondContact O-ND2 3.2Å; N11-L14 PolarHBondContact O-N 2.93Å; N11-V15 WeakPolarHBondContact O-CB 3.26Å; N11-V15 WeakPolarHBondContact O-CG2 3.35Å; N11-V15 PolarHBondContact O-N 2.93Å
12T57.1Low48.8Very low68 Ų6895 Ų9542%0.41749%0.489SS..Hα-helixtrans-67.8-39.9175.644.50000112.3L8 T9 I10 L16L8-T12 WeakPolarHBondContact O-CB 3.38Å; L8-T12 VanDerWaalsContact O-CG2 3.3Å; L8-T12 WeakPolarHBondContact O-CG2 3.49Å; L8-T12 PolarHBondContact O-N 3.43Å; L8-T12 PolarHBondContact O-OG1 2.87Å; T9-T12 VanDerWaalsContact CA-OG1 3.32Å; T9-T12 WeakPolarHBondContact CA-OG1 3.36Å; T9-T12 PolarHBondContact O-N 3.32Å; T9-T12 PolarHBondContact O-OG1 2.81Å; I10-T12 VanDerWaalsContact C-N 3.33Å; I10-T12 PolarHBondContact O-N 2.95Å; T12-L16 VanDerWaalsContact O-CB 3.25Å; T12-L16 WeakPolarHBondContact O-CB 3.13Å; T12-L16 WeakPolarHBondContact O-CD1 3.43Å; T12-L16 VanDerWaalsContact O-CG 3.3Å; T12-L16 WeakPolarHBondContact O-CG 3.22Å; T12-L16 PolarHBondContact O-N 3.39Å
13I55.8Low48.5Very low111 Ų11196.8 Ų96.857%0.56949%0.485SS*.Hα-helixtrans-65-42.3174.1-67164.8000110.9T9 I10 L16 S17T9-I13 WeakPolarHBondContact O-CB 3.43Å; T9-I13 WeakPolarHBondContact O-CD1 3.48Å; T9-I13 WeakPolarHBondContact O-CG1 3.35Å; T9-I13 PolarHBondContact O-N 2.89Å; I10-I13 PolarHBondContact O-N 3.14Å; I13-L16 PolarHBondContact O-N 3.01Å; I13-S17 WeakPolarHBondContact O-CB 3.34Å; I13-S17 PolarHBondContact O-N 3.46Å; I13-S17 PolarHBondContact O-OG 3.33Å
14L49.1Very low48.3Very low72 Ų7294.3 Ų94.338%0.37748%0.477SS..Hα-helixtrans-64-47.2177.9-159.3105000110.7I10 N11 S17 I18I10-L14 VanDerWaalsContact O-CB 3.29Å; I10-L14 WeakPolarHBondContact O-CB 3.31Å; I10-L14 PolarHBondContact O-N 3.48Å; N11-L14 PolarHBondContact O-N 2.93Å; L14-S17 WeakPolarHBondContact CA-OG 3.48Å; L14-S17 PolarHBondContact O-N 2.97Å; L14-S17 PolarHBondContact O-OG 3.29Å; L14-I18 HydrophobicContact CD2-CD1 3.88Å; L14-I18 HydrophobicContact CG-CD1 4.2Å; L14-I18 VanDerWaalsContact O-CG1 3.28Å; L14-I18 WeakPolarHBondContact O-CG1 3.45Å; L14-I18 PolarHBondContact O-N 3.49Å
15V52.9Low47.9Very low71 Ų7190.2 Ų90.243%0.4346%0.464SS..Hα-helixtrans-60.2-47.4175.41690000110.5N11 S17 I18 F19N11-V15 WeakPolarHBondContact O-CB 3.26Å; N11-V15 WeakPolarHBondContact O-CG2 3.35Å; N11-V15 PolarHBondContact O-N 2.93Å; V15-S17 VanDerWaalsContact C-N 3.31Å; V15-S17 PolarHBondContact O-N 3.42Å; V15-I18 PolarHBondContact O-N 3.04Å; V15-F19 HydrophobicContact CG1-CD2 3.52Å; V15-F19 HydrophobicContact CG1-CE2 3.58Å; V15-F19 WeakPolarHBondContact O-CB 3.46Å; V15-F19 WeakPolarHBondContact O-CD2 3.42Å; V15-F19 PolarHBondContact O-N 3.5Å
16L50.4Low47.4Very low118 Ų11889.3 Ų89.362%0.61847%0.469SS*.Hα-helixtrans-60.5-38.7175-81.2161.7000112.1T12 I13 F19 A20T12-L16 VanDerWaalsContact O-CB 3.25Å; T12-L16 WeakPolarHBondContact O-CB 3.13Å; T12-L16 WeakPolarHBondContact O-CD1 3.43Å; T12-L16 VanDerWaalsContact O-CG 3.3Å; T12-L16 WeakPolarHBondContact O-CG 3.22Å; T12-L16 PolarHBondContact O-N 3.39Å; I13-L16 PolarHBondContact O-N 3.01Å; L16-F19 PolarHBondContact O-N 3.36Å; L16-A20 WeakPolarHBondContact O-CB 3.26Å; L16-A20 PolarHBondContact O-N 2.91Å
17S50.4Low46.9Very low36 Ų3690.5 Ų90.525%0.25248%0.479SS..Hα-helixtrans-68.2-40.217873.80000112.4I13 L14 V15 A20 Q21I13-S17 WeakPolarHBondContact O-CB 3.34Å; I13-S17 PolarHBondContact O-N 3.46Å; I13-S17 PolarHBondContact O-OG 3.33Å; L14-S17 WeakPolarHBondContact CA-OG 3.48Å; L14-S17 PolarHBondContact O-N 2.97Å; L14-S17 PolarHBondContact O-OG 3.29Å; V15-S17 VanDerWaalsContact C-N 3.31Å; V15-S17 PolarHBondContact O-N 3.42Å; S17-A20 PolarHBondContact O-N 3.45Å; S17-Q21 VanDerWaalsContact O-CB 3.3Å; S17-Q21 WeakPolarHBondContact O-CB 3.41Å; S17-Q21 WeakPolarHBondContact O-CG 3.43Å; S17-Q21 PolarHBondContact O-N 3.27Å
18I49.8Very low46.3Very low93 Ų9389.5 Ų89.548%0.47747%0.474SS..Hα-helixtrans-67.9-36.1175.5-66.4164.7000110.7L14 V15 P22L14-I18 HydrophobicContact CD2-CD1 3.88Å; L14-I18 HydrophobicContact CG-CD1 4.2Å; L14-I18 VanDerWaalsContact O-CG1 3.28Å; L14-I18 WeakPolarHBondContact O-CG1 3.45Å; L14-I18 PolarHBondContact O-N 3.49Å; V15-I18 PolarHBondContact O-N 3.04Å; I18-P22 WeakPolarHBondContact O-CD 3.48Å; I18-P22 WeakPolarHBondContact O-CG 3.38Å
19F44Very low45.3Very low149 Ų14991.5 Ų91.565%0.65448%0.475SS*.Hα-helixtrans-80.8-29.6176.9-80.3-67.8000113.5V15 L16V15-F19 HydrophobicContact CG1-CD2 3.52Å; V15-F19 HydrophobicContact CG1-CE2 3.58Å; V15-F19 WeakPolarHBondContact O-CB 3.46Å; V15-F19 WeakPolarHBondContact O-CD2 3.42Å; V15-F19 PolarHBondContact O-N 3.5Å; L16-F19 PolarHBondContact O-N 3.36Å
20A44.7Very low43.9Very low38 Ų3897 Ų9731%0.31449%0.492SS..Hα-helixtrans-79.6-33.1177.900000112.2L16 S17 R23 I24L16-A20 WeakPolarHBondContact O-CB 3.26Å; L16-A20 PolarHBondContact O-N 2.91Å; S17-A20 PolarHBondContact O-N 3.45Å; A20-R23 PolarHBondContact O-N 3.49Å; A20-I24 HydrophobicContact CB-CD1 4.2Å; A20-I24 WeakPolarHBondContact O-CB 3.5Å; A20-I24 VanDerWaalsContact O-CG1 3.29Å; A20-I24 WeakPolarHBondContact O-CG1 3.35Å; A20-I24 PolarHBondContact O-N 2.82Å
21Q44Very low42.7Very low85 Ų8597.4 Ų97.440%0.39750%0.502SS..Hα-helixtrans-57.4-49.2-179.1-91.5-176.9-26.100113.4S17 R23 I24 H25S17-Q21 VanDerWaalsContact O-CB 3.3Å; S17-Q21 WeakPolarHBondContact O-CB 3.41Å; S17-Q21 WeakPolarHBondContact O-CG 3.43Å; S17-Q21 PolarHBondContact O-N 3.27Å; Q21-R23 VanDerWaalsContact C-N 3.32Å; Q21-R23 PolarHBondContact O-N 2.98Å; Q21-I24 PolarHBondContact O-N 3.18Å; Q21-H25 WeakPolarHBondContact O-CB 3.42Å; Q21-H25 PolarHBondContact O-N 3.48Å
22P39.6Very low41.4Very low79 Ų7997.2 Ų97.251%0.51351%0.507SS..Hα-helixtrans-63.9-36.3176.2-1826.9000112.3I18 H25 A26I18-P22 WeakPolarHBondContact O-CD 3.48Å; I18-P22 WeakPolarHBondContact O-CG 3.38Å; P22-H25 PolarHBondContact O-N 2.93Å; P22-A26 WeakPolarHBondContact O-CB 3.41Å; P22-A26 PolarHBondContact O-N 3.45Å
23R38.8Very low39.7Very low193 Ų193100.7 Ų100.773%0.72852%0.524SS*.Hα-helixtrans-68.3-42.2177.5-76.3-170173.2-170.1-0.7111.8A20 Q21 A26 I27A20-R23 PolarHBondContact O-N 3.49Å; Q21-R23 VanDerWaalsContact C-N 3.32Å; Q21-R23 PolarHBondContact O-N 2.98Å; R23-A26 PolarHBondContact O-N 2.94Å; R23-I27 WeakPolarHBondContact O-CB 3.4Å; R23-I27 WeakPolarHBondContact O-CD1 3.3Å; R23-I27 WeakPolarHBondContact O-CG1 3.49Å; R23-I27 PolarHBondContact O-N 3.45Å
24I39.5Very low38.2Very low74 Ų74101.3 Ų101.338%0.37953%0.527SS..Hα-helixtrans-68.7-39.5176-66.3166.1000110.2A20 Q21 I27 L28A20-I24 HydrophobicContact CB-CD1 4.2Å; A20-I24 WeakPolarHBondContact O-CB 3.5Å; A20-I24 VanDerWaalsContact O-CG1 3.29Å; A20-I24 WeakPolarHBondContact O-CG1 3.35Å; A20-I24 PolarHBondContact O-N 2.82Å; Q21-I24 PolarHBondContact O-N 3.18Å; I24-I27 PolarHBondContact O-N 2.96Å; I24-L28 HydrophobicContact CG2-CD1 3.59Å; I24-L28 HydrophobicContact CG2-CG 4.4Å; I24-L28 VanDerWaalsContact O-CB 3.3Å; I24-L28 WeakPolarHBondContact O-CB 3.35Å; I24-L28 WeakPolarHBondContact O-CG 3.47Å; I24-L28 PolarHBondContact O-N 3.37Å
25H36.1Very low37Very low88 Ų88106.5 Ų106.541%0.40755%0.549SS..Hα-helixtrans-64.1-39.1172.2-117.1-81.8000112.1Q21 P22 L28 Y29Q21-H25 WeakPolarHBondContact O-CB 3.42Å; Q21-H25 PolarHBondContact O-N 3.48Å; P22-H25 PolarHBondContact O-N 2.93Å; H25-L28 PolarHBondContact O-N 2.91Å; H25-Y29 AromaticContact CE1-CD2 3.64Å; H25-Y29 AromaticContact CE1-CE2 3.88Å; H25-Y29 AromaticContact ND1-CD2 3.47Å; H25-Y29 WeakPolarHBondContact ND1-CD2 3.38Å; H25-Y29 WeakPolarHBondContact O-CA 3.33Å; H25-Y29 WeakPolarHBondContact O-CB 3.31Å; H25-Y29 PolarHBondContact O-N 2.92Å
26A37.1Very low35.7Very low65 Ų65108.8 Ų108.854%0.53755%0.553SS.*Hα-helixtrans-69.6-33176.900000112.4P22 R23P22-A26 WeakPolarHBondContact O-CB 3.41Å; P22-A26 PolarHBondContact O-N 3.45Å; R23-A26 PolarHBondContact O-N 2.94Å
27I37.8Very low34.6Very low139 Ų139107.9 Ų107.971%0.71355%0.549SS*.Hα-helixtrans-73.9-38174.6-67.5163.2000111.1R23 I24R23-I27 WeakPolarHBondContact O-CB 3.4Å; R23-I27 WeakPolarHBondContact O-CD1 3.3Å; R23-I27 WeakPolarHBondContact O-CG1 3.49Å; R23-I27 PolarHBondContact O-N 3.45Å; I24-I27 PolarHBondContact O-N 2.96Å
28L31.6Very low33.6Very low56 Ų56109.5 Ų109.529%0.29356%0.56SS.*Hα-helixtrans-86.6-32.2-176.8-75.1168.1000114.1I24 H25I24-L28 HydrophobicContact CG2-CD1 3.59Å; I24-L28 HydrophobicContact CG2-CG 4.4Å; I24-L28 VanDerWaalsContact O-CB 3.3Å; I24-L28 WeakPolarHBondContact O-CB 3.35Å; I24-L28 WeakPolarHBondContact O-CG 3.47Å; I24-L28 PolarHBondContact O-N 3.37Å; H25-L28 PolarHBondContact O-N 2.91Å
29Y30.2Very low32.6Very low152 Ų152108.6 Ų108.660%0.59656%0.561SS**  trans-124.253-175.1-69.6-84.3000110.8H25 S31H25-Y29 AromaticContact CE1-CD2 3.64Å; H25-Y29 AromaticContact CE1-CE2 3.88Å; H25-Y29 AromaticContact ND1-CD2 3.47Å; H25-Y29 WeakPolarHBondContact ND1-CD2 3.38Å; H25-Y29 WeakPolarHBondContact O-CA 3.33Å; H25-Y29 WeakPolarHBondContact O-CB 3.31Å; H25-Y29 PolarHBondContact O-N 2.92Å; Y29-S31 PolarHBondContact O-N 3.3Å
30K28.2Very low31.9Very low186 Ų186104.5 Ų104.581%0.80955%0.551SS**  trans-7152.4150.4-155.4179.4-176.1-174.50108.9S32K30-S32 PolarHBondContact O-N 2.85Å; K30-S32 VanDerWaalsContact O-N 3.16Å
31S26.6Very low31.3Very low82 Ų82107.3 Ų107.357%0.57356%0.561SS**  trans-73.9102.616459.60000105.6Y29 D33Y29-S31 PolarHBondContact O-N 3.3Å; S31-D33 PolarHBondContact O-N 3.36Å
32S25.2Very low30.8Very low86 Ų86109.1 Ų109.160%0.60157%0.567SS**  trans-67.275.1174.151.20000110.4K30 I34K30-S32 PolarHBondContact O-N 2.85Å; K30-S32 VanDerWaalsContact O-N 3.16Å; S32-I34 PolarHBondContact O-N 2.98Å
33D22Very low30.1Very low142 Ų142113.6 Ų113.676%0.75958%0.581SS**  trans-72.575143.5-77.6-27.9000105.9S31 H35S31-D33 PolarHBondContact O-N 3.36Å; D33-H35 PolarHBondContact O-N 2.89Å
34I24.1Very low29.5Very low123 Ų123111.1 Ų111.163%0.63158%0.578SS**  trans-77.182.6173.9-64.9162000106.2S32 F36S32-I34 PolarHBondContact O-N 2.98Å; I34-F36 HydrophobicContact CG2-CB 3.98Å; I34-F36 HydrophobicContact CG2-CD2 3.72Å; I34-F36 HydrophobicContact CG2-CG 4.36Å; I34-F36 PolarHBondContact O-N 2.98Å; I34-F36 VanDerWaalsContact O-N 3.09Å
35H23.7Very low28.9Very low182 Ų182113.9 Ų113.984%0.84360%0.598SS**  trans-65.798.2144.9-81.2-75.6000106.3D33 N37D33-H35 PolarHBondContact O-N 2.89Å; H35-N37 PolarHBondContact O-N 3.22Å
36F26.8Very low28.5Very low118 Ų118114.2 Ų114.252%0.51861%0.606SS.*  trans-69.1101.8-178.7-159.6-102.3000109.2I34 C38 L41I34-F36 HydrophobicContact CG2-CB 3.98Å; I34-F36 HydrophobicContact CG2-CD2 3.72Å; I34-F36 HydrophobicContact CG2-CG 4.36Å; I34-F36 PolarHBondContact O-N 2.98Å; I34-F36 VanDerWaalsContact O-N 3.09Å; F36-C38 PolarHBondContact O-N 3.5Å; F36-L41 HydrophobicContact CE1-CD1 3.31Å; F36-L41 HydrophobicContact CZ-CD1 3.29Å
37N26Very low27.9Very low99 Ų99121.5 Ų121.553%0.52962%0.621SS.*  trans-82.5103.2174-171.5-6.6000107.8H35 S39 S40H35-N37 PolarHBondContact O-N 3.22Å; N37-S39 PolarHBondContact ND2-OG 2.86Å; N37-S39 VanDerWaalsContact ND2-OG 3.15Å; N37-S39 PolarHBondContact O-N 3.37Å; N37-S39 PolarHBondContact OD1-N 3.46Å; N37-S39 PolarHBondContact OD1-OG 2.89Å; N37-S40 PolarHBondContact O-N 3.35Å; N37-S40 PolarHBondContact O-OG 3.03Å; N37-S40 VanDerWaalsContact O-OG 3.09Å
38C30.2Very low27.4Very low71 Ų71120.8 Ų120.848%0.4862%0.615SS.*G310 helixtrans-54.9-16.5-178.5-67.50000114F36 S40 L41 F42F36-C38 PolarHBondContact O-N 3.5Å; C38-S40 VanDerWaalsContact C-N 3.27Å; C38-S40 PolarHBondContact O-N 2.93Å; C38-L41 WeakPolarHBondContact O-CB 3.36Å; C38-L41 PolarHBondContact O-N 3.48Å; C38-F42 WeakPolarHBondContact O-CD2 3.49Å
39S28.3Very low27.1Very low73 Ų73123.3 Ų123.351%0.5164%0.637SS.*G310 helixtrans-65.4-24.7172.756.90000113.9N37N37-S39 PolarHBondContact ND2-OG 2.86Å; N37-S39 VanDerWaalsContact ND2-OG 3.15Å; N37-S39 PolarHBondContact O-N 3.37Å; N37-S39 PolarHBondContact OD1-N 3.46Å; N37-S39 PolarHBondContact OD1-OG 2.89Å
40S29.5Very low27.1Very low64 Ų64123.4 Ų123.445%0.44864%0.638SS.*G310 helixtrans-79.5-17.3176.168.50000113.8N37 C38 F42 H43 Q44N37-S40 PolarHBondContact O-N 3.35Å; N37-S40 PolarHBondContact O-OG 3.03Å; N37-S40 VanDerWaalsContact O-OG 3.09Å; C38-S40 VanDerWaalsContact C-N 3.27Å; C38-S40 PolarHBondContact O-N 2.93Å; S40-F42 PolarHBondContact O-N 3.01Å; S40-H43 PolarHBondContact O-N 3.3Å; S40-Q44 PolarHBondContact O-N 3.15Å
41L32.9Very low27Very low97 Ų97121.6 Ų121.651%0.50864%0.636SS.*G310 helixtrans-66.6-26.9177.5-144.8122.4000112F36 C38F36-L41 HydrophobicContact CE1-CD1 3.31Å; F36-L41 HydrophobicContact CZ-CD1 3.29Å; C38-L41 WeakPolarHBondContact O-CB 3.36Å; C38-L41 PolarHBondContact O-N 3.48Å
42F31.9Very low27Very low122 Ų122120.6 Ų120.654%0.53562%0.624SS.*G310 helixtrans-85.6-11-178.6-65.6-75.5000113.7C38 S40C38-F42 WeakPolarHBondContact O-CD2 3.49Å; S40-F42 PolarHBondContact O-N 3.01Å
43H26.6Very low27.3Very low173 Ų173118.4 Ų118.480%0.80161%0.609SS**THydrogen-bonded Turntrans-111-14.2-179.7-103.9-62.7000115.3S40S40-H43 PolarHBondContact O-N 3.3Å
44Q25.2Very low27.5Very low141 Ų141121.3 Ų121.366%0.65962%0.618SS**SBendtrans-115.9111170.8-83.7179.1-14.400109.1S40 V46S40-Q44 PolarHBondContact O-N 3.15Å; Q44-V46 PolarHBondContact O-N 3.08Å
45T27Very low27.7Very low133 Ų133119.6 Ų119.682%0.81663%0.63SS**  trans-44.382.5161.148.40000110.5Y47T45-Y47 PolarHBondContact O-N 3.29Å
46V28.3Very low28Very low94 Ų94115 Ų11557%0.5761%0.612SS**  trans-95.691.2166.1-176.60000105.5Q44 E48Q44-V46 PolarHBondContact O-N 3.08Å; V46-E48 HydrophobicContact CG1-CB 4.07Å; V46-E48 HydrophobicContact CG1-CG 3.64Å; V46-E48 PolarHBondContact O-N 3.23Å
47Y25Very low28.1Very low218 Ų218111.9 Ų111.986%0.85561%0.613SS**  trans-60.371.8155.6-83.9-91.8000108.4T45 S49T45-Y47 PolarHBondContact O-N 3.29Å; Y47-S49 VanDerWaalsContact C-N 3.31Å; Y47-S49 PolarHBondContact O-N 3.04Å
48E27Very low28.4Very low124 Ų124111.3 Ų111.358%0.57961%0.609SS**  trans-82.590.3157.5-93.8177.5-163.600106.5V46 Y50V46-E48 HydrophobicContact CG1-CB 4.07Å; V46-E48 HydrophobicContact CG1-CG 3.64Å; V46-E48 PolarHBondContact O-N 3.23Å; E48-Y50 HydrophobicContact CB-CD2 4.37Å; E48-Y50 HydrophobicContact CB-CE2 3.73Å; E48-Y50 WeakPolarHBondContact O-CD2 3.31Å; E48-Y50 PolarHBondContact O-N 3.33Å; E48-Y50 PolarHBondContact OE2-OH 2.8Å
49S25.6Very low28.6Very low109 Ų109111.6 Ų111.676%0.76261%0.609SS**  trans-74.7102.3170.750.80000108.8Y47 L51Y47-S49 VanDerWaalsContact C-N 3.31Å; Y47-S49 PolarHBondContact O-N 3.04Å; S49-L51 PolarHBondContact O-N 3.2Å
50Y29.8Very low28.9Very low154 Ų154113.6 Ų113.660%0.60461%0.613SS**  trans-77.4114.7166.8-66.9-90.8000108.3E48 L52 L58E48-Y50 HydrophobicContact CB-CD2 4.37Å; E48-Y50 HydrophobicContact CB-CE2 3.73Å; E48-Y50 WeakPolarHBondContact O-CD2 3.31Å; E48-Y50 PolarHBondContact O-N 3.33Å; E48-Y50 PolarHBondContact OE2-OH 2.8Å; Y50-L52 VanDerWaalsContact C-N 3.29Å; Y50-L52 PolarHBondContact O-N 3.42Å; Y50-L58 HydrophobicContact CG-CD1 4.4Å
51L24.7Very low29.1Very low148 Ų148114.9 Ų114.978%0.77562%0.622SS**  trans-69.690.1166.5-89.4157.6000108.4S49S49-L51 PolarHBondContact O-N 3.2Å
52L28.2Very low29.2Very low61 Ų61112.6 Ų112.632%0.31961%0.613SS.*PPolyproline II helixtrans-67.5132.9166.3-66.9169.6000108.9Y50 D56 L58Y50-L52 VanDerWaalsContact C-N 3.29Å; Y50-L52 PolarHBondContact O-N 3.42Å; L52-D56 HydrophobicContact CB-CB 4.26Å; L52-D56 HydrophobicContact CD2-CB 3.78Å; L52-L58 HydrophobicContact CD1-CD1 4.02Å; L52-L58 HydrophobicContact CD1-CG 4.44Å; L52-L58 HydrophobicContact CD2-CD1 3.82Å; L52-L58 HydrophobicContact CD2-CG 3.96Å; L52-L58 HydrophobicContact CG-CD1 4.13Å
53S30.2Very low29.4Very low41 Ų41112.9 Ų112.929%0.28762%0.621SS.*PPolyproline II helixtrans-79.6158.5170.2-46.60000108.4G55 D56 R134S53-G55 PolarHBondContact O-N 3.12Å; S53-G55 VanDerWaalsContact O-N 3.16Å; S53-D56 WeakPolarHBondContact CB-OD2 3.31Å; S53-D56 PolarHBondContact N-OD2 3.05Å; S53-D56 WeakPolarHBondContact O-CB 3.49Å; S53-D56 PolarHBondContact O-N 2.85Å; S53-R134 PolarHBondContact OG-NH2 3.41Å
54E26.5Very low29.8Very low203 Ų203109.1 Ų109.195%0.94961%0.61SS**THydrogen-bonded Turntrans-48.8123.5175.5-73.7177.7167.600111.1
55G29.2Very low30.4Very low86 Ų86104.4 Ų104.489%0.88759%0.592SS**THydrogen-bonded Turntrans92.7-9.2-179.600000116.2S53S53-G55 PolarHBondContact O-N 3.12Å; S53-G55 VanDerWaalsContact O-N 3.16Å
56D29.4Very low31Very low87 Ų87100.2 Ų100.247%0.46557%0.568SS.*PPolyproline II helixtrans-82.9120.1174.4-64.2-31.8000110.1L52 S53L52-D56 HydrophobicContact CB-CB 4.26Å; L52-D56 HydrophobicContact CD2-CB 3.78Å; S53-D56 WeakPolarHBondContact CB-OD2 3.31Å; S53-D56 PolarHBondContact N-OD2 3.05Å; S53-D56 WeakPolarHBondContact O-CB 3.49Å; S53-D56 PolarHBondContact O-N 2.85Å
57G29.5Very low31.4Very low51 Ų51102 Ų10253%0.52657%0.57SS.*PPolyproline II helixtrans-103.4141.1171.200000111.6
58L32.3Very low31.9Very low88 Ų8898 Ų9846%0.46155%0.554SS.*PPolyproline II helixtrans-100.3118.9169.3-94158.8000108.7Y50 L52Y50-L58 HydrophobicContact CG-CD1 4.4Å; L52-L58 HydrophobicContact CD1-CD1 4.02Å; L52-L58 HydrophobicContact CD1-CG 4.44Å; L52-L58 HydrophobicContact CD2-CD1 3.82Å; L52-L58 HydrophobicContact CD2-CG 3.96Å; L52-L58 HydrophobicContact CG-CD1 4.13Å
59V33Very low32.4Very low77 Ų7794.6 Ų94.647%0.46754%0.538SS..  trans-97.6106.8172.3-179.80000108.6S61 I121V59-S61 PolarHBondContact O-N 3.06Å; V59-I121 HydrophobicContact CG2-CD1 4.5Å
60L34.4Very low32.8Very low114 Ų11495.2 Ų95.260%0.59753%0.527SS*.  trans-8990.3171.8-73.4163.6000109C62 L84L60-C62 PolarHBondContact O-N 2.74Å; L60-L84 HydrophobicContact CD1-CD2 4.27Å
61S34.3Very low33Very low91 Ų9195.4 Ų95.464%0.63654%0.538SS*.  trans-84.198.6171.2-168.80000109.3V59V59-S61 PolarHBondContact O-N 3.06Å
62C34.6Very low33.3Very low49 Ų4994.8 Ų94.833%0.33153%0.529SS..  trans-124.6118.8170175.40000108L60 V64 C65 S66L60-C62 PolarHBondContact O-N 2.74Å; C62-V64 PolarHBondContact O-N 2.89Å; C62-C65 HydrophobicContact CB-CB 3.81Å; C62-C65 VanDerWaalsContact CB-SG 3.56Å; C62-C65 PolarHBondContact O-N 3.48Å; C62-S66 PolarHBondContact O-N 2.82Å
63N35.9Very low33.2Very low129 Ų12999.6 Ų99.669%0.6955%0.55SS**Hα-helixtrans-56.6-35.1178.8-79.4-6000111.7S66N63-S66 PolarHBondContact O-N 3.42Å; N63-S66 PolarHBondContact O-OG 2.89Å
64V36.9Very low33.1Very low94 Ų94101.9 Ų101.957%0.5756%0.562SS**Hα-helixtrans-68.3-41.4176.7-174.30000111.4C62 S66C62-V64 PolarHBondContact O-N 2.89Å; V64-S66 VanDerWaalsContact C-N 3.33Å
65C37.1Very low33Very low42 Ų42103 Ų10328%0.28456%0.558SS.*Hα-helixtrans-69.8-33.7176.3-580000111.4C62 E67 Y68 F69C62-C65 HydrophobicContact CB-CB 3.81Å; C62-C65 VanDerWaalsContact CB-SG 3.56Å; C62-C65 PolarHBondContact O-N 3.48Å; C65-E67 VanDerWaalsContact C-N 3.27Å; C65-E67 PolarHBondContact O-N 3.28Å; C65-Y68 PolarHBondContact O-N 2.98Å; C65-F69 HydrophobicContact CB-CD2 4.42Å; C65-F69 HydrophobicContact CB-CE2 4.34Å; C65-F69 WeakPolarHBondContact O-CD2 3.47Å; C65-F69 PolarHBondContact O-N 3.31Å
66S38.8Very low32.7Very low45 Ų45103.2 Ų103.232%0.31554%0.536SS..Hα-helixtrans-61.3-32.6-17779.70000113.4C62 N63 V64 K70C62-S66 PolarHBondContact O-N 2.82Å; N63-S66 PolarHBondContact O-N 3.42Å; N63-S66 PolarHBondContact O-OG 2.89Å; V64-S66 VanDerWaalsContact C-N 3.33Å; S66-K70 PolarHBondContact O-N 3.44Å
67E36.9Very low32.6Very low130 Ų130108.1 Ų108.161%0.60756%0.556SS**Hα-helixtrans-74.3-31.2175.5-73.5-152128.200113.1C65 F69 K70C65-E67 VanDerWaalsContact C-N 3.27Å; C65-E67 PolarHBondContact O-N 3.28Å; E67-F69 PolarHBondContact O-N 2.99Å; E67-K70 IonicContact OE1-NZ 3.08Å; E67-K70 PolarHBondContact OE1-NZ 2.95Å; E67-K70 VanDerWaalsContact OE1-NZ 3.08Å
68Y35.1Very low32.5Very low134 Ų134109.9 Ų109.953%0.52557%0.574SS.*Hα-helixtrans-70.2-23.6176.8-156.6-93.8000112.6C65C65-Y68 PolarHBondContact O-N 2.98Å
69F38.1Very low32Very low54 Ų54110 Ų11024%0.23758%0.582CS.*THydrogen-bonded Turntrans-106.37.7-178.4-63.9-71.5000114.1C65 E67 D71 K72 L84C65-F69 HydrophobicContact CB-CD2 4.42Å; C65-F69 HydrophobicContact CB-CE2 4.34Å; C65-F69 WeakPolarHBondContact O-CD2 3.47Å; C65-F69 PolarHBondContact O-N 3.31Å; E67-F69 PolarHBondContact O-N 2.99Å; F69-D71 PolarHBondContact O-N 3.45Å; F69-K72 HydrophobicContact CD1-CB 4.43Å; F69-K72 HydrophobicContact CD1-CD 4.16Å; F69-K72 HydrophobicContact CE1-CD 4.45Å; F69-K72 PolarHBondContact O-N 2.95Å; F69-K72 VanDerWaalsContact O-N 3.11Å; F69-L84 HydrophobicContact CD1-CD1 4.2Å; F69-L84 HydrophobicContact CD2-CD1 4.12Å; F69-L84 HydrophobicContact CE1-CD1 3.89Å; F69-L84 HydrophobicContact CE2-CD1 3.85Å; F69-L84 HydrophobicContact CG-CD1 4.33Å; F69-L84 HydrophobicContact CZ-CD1 3.73Å
70K34.2Very low31.5Very low121 Ų121111.5 Ų111.553%0.52660%0.602SS.*THydrogen-bonded Turntrans-52-24.5179.8-103.2176.5-180165.50114.1S66 E67S66-K70 PolarHBondContact O-N 3.44Å; E67-K70 IonicContact OE1-NZ 3.08Å; E67-K70 PolarHBondContact OE1-NZ 2.95Å; E67-K70 VanDerWaalsContact OE1-NZ 3.08Å
71D33.3Very low31.1Very low158 Ų158113.2 Ų113.285%0.84561%0.605SS**THydrogen-bonded Turntrans-119.69.8-176.6-56.9-41.3000114.5F69F69-D71 PolarHBondContact O-N 3.45Å
72K31.3Very low30.7Very low136 Ų136114.8 Ų114.859%0.59161%0.606SS**  trans-100.987.1173.3-73.4-169.9179.6179.80109.6F69 T74F69-K72 HydrophobicContact CD1-CB 4.43Å; F69-K72 HydrophobicContact CD1-CD 4.16Å; F69-K72 HydrophobicContact CE1-CD 4.45Å; F69-K72 PolarHBondContact O-N 2.95Å; F69-K72 VanDerWaalsContact O-N 3.11Å; K72-T74 PolarHBondContact O-N 3.3Å
73E26.1Very low30.4Very low162 Ų162115.4 Ų115.476%0.75761%0.606SS**  trans-54.1107166.2-75.2-176.7156.600109.3
74T28.1Very low30Very low88 Ų88112.3 Ų112.354%0.5459%0.589SS.*  trans-97.1120.8167.3430000107.7K72 E76 D83K72-T74 PolarHBondContact O-N 3.3Å; T74-E76 PolarHBondContact O-N 3.12Å; T74-D83 PolarHBondContact OG1-O 3.46Å
75W23.4Very low29.6Very low227 Ų227113.4 Ų113.486%0.8659%0.587SS**  trans-81.7104-173.9-68.870.8000109.1
76E24.9Very low29.1Very low90 Ų90117.6 Ų117.642%0.42161%0.605SS.*  trans-145114152.1-114.5-178.6-174.500110.5T74 G78 Q87T74-E76 PolarHBondContact O-N 3.12Å; E76-G78 PolarHBondContact O-N 2.68Å; E76-Q87 PolarHBondContact OE1-NE2 2.91Å
77H27Very low28.4Very low191 Ų191121.7 Ų121.788%0.88462%0.619SS**THydrogen-bonded Turntrans3676.8160.4-68.876.1000117.3S79H77-S79 PolarHBondContact O-N 2.93Å
78G25.8Very low27.9Very low88 Ų88124.3 Ų124.391%0.90762%0.623SS**THydrogen-bonded Turntrans94.9-1.6136.700000118.2E76E76-G78 PolarHBondContact O-N 2.68Å
79S22.8Very low27.4Very low90 Ų90123 Ų12363%0.62963%0.632SS**  trans-153.6117.1165.657.60000111H77 K81H77-S79 PolarHBondContact O-N 2.93Å; S79-K81 PolarHBondContact O-N 3.5Å
80A23Very low26.8Very low108 Ų108128.6 Ų128.689%0.89366%0.658SS**  trans-57.5109.717300000109.7
81K25.6Very low26.3Very low151 Ų151129.7 Ų129.766%0.65768%0.675SS**  trans-126.8142.3159.4-79.3-176175.7177.70107S79 D83S79-K81 PolarHBondContact O-N 3.5Å; K81-D83 WeakPolarHBondContact CB-OD2 3.32Å; K81-D83 PolarHBondContact O-N 3.47Å
82N26.4Very low25.9Very low123 Ų123127.8 Ų127.866%0.65867%0.669SS**  trans-7256.6-174.5-61.5-14.5000110.8
83D28.6Very low25.5Very low63 Ų63125.5 Ų125.534%0.33768%0.684SS.*  trans-107.7121.2-167.3-66-24.2000108.9T74 K81 F85T74-D83 PolarHBondContact OG1-O 3.46Å; K81-D83 WeakPolarHBondContact CB-OD2 3.32Å; K81-D83 PolarHBondContact O-N 3.47Å; D83-F85 PolarHBondContact O-N 3.01Å
84L27Very low25.4Very low64 Ų64120.9 Ų120.934%0.33568%0.681SS.*  trans-7694.2175.2-167.988000109.1L60 F69 I86L60-L84 HydrophobicContact CD1-CD2 4.27Å; F69-L84 HydrophobicContact CD1-CD1 4.2Å; F69-L84 HydrophobicContact CD2-CD1 4.12Å; F69-L84 HydrophobicContact CE1-CD1 3.89Å; F69-L84 HydrophobicContact CE2-CD1 3.85Å; F69-L84 HydrophobicContact CG-CD1 4.33Å; F69-L84 HydrophobicContact CZ-CD1 3.73Å; L84-I86 HydrophobicContact CD2-CD1 4.46Å; L84-I86 HydrophobicContact CD2-CG1 4.36Å
85F27.9Very low25.1Very low117 Ų117126.5 Ų126.551%0.51370%0.701SS.*  trans-87113.2172.1-124.8-95.6000110D83 Q87D83-F85 PolarHBondContact O-N 3.01Å; F85-Q87 PolarHBondContact O-N 2.7Å
86I27Very low25.1Very low130 Ų130119.2 Ų119.267%0.66770%0.696SS**  trans-87.991170.4-57.7175000107.2L84L84-I86 HydrophobicContact CD2-CD1 4.46Å; L84-I86 HydrophobicContact CD2-CG1 4.36Å
87Q24.7Very low25.1Very low130 Ų130123.9 Ų123.961%0.60772%0.723SS**PPolyproline II helixtrans-72.2129.5172.1-121.8179.89.700109.4E76 F85E76-Q87 PolarHBondContact OE1-NE2 2.91Å; F85-Q87 PolarHBondContact O-N 2.7Å
88R26.7Very low24.9Very low185 Ų185118 Ų11870%0.69872%0.715SS**PPolyproline II helixtrans-71.9130.3169.7-161.7179.5-151.3151.44.5107.3E90R88-E90 PolarHBondContact O-N 3.18Å; R88-E90 VanDerWaalsContact O-N 3.1Å
89P24.4Very low24.9Very low108 Ų108118.4 Ų118.470%0.70171%0.709SS**PPolyproline II helixtrans-59.5121.4176.921.3-29.7000108.8T91P89-T91 PolarHBondContact O-N 2.83Å
90E24.8Very low24.9Very low171 Ų171118.9 Ų118.980%0.79971%0.712SS**  trans-58.2110.3172.4-71.5-175.5161.200107.9R88 T92R88-E90 PolarHBondContact O-N 3.18Å; R88-E90 VanDerWaalsContact O-N 3.1Å; E90-T92 PolarHBondContact O-N 3.43Å
91T23.9Very low24.9Very low144 Ų144120.3 Ų120.388%0.88371%0.705SS**  trans-73.973.1168.952.20000108.3P89 G93P89-T91 PolarHBondContact O-N 2.83Å; T91-G93 PolarHBondContact O-N 3.14Å
92T25.1Very low24.9Very low117 Ų117119.9 Ų119.972%0.71871%0.708SS**  trans-74.5117.9157.928.90000107E90 G94E90-T92 PolarHBondContact O-N 3.43Å; T92-G94 PolarHBondContact O-N 3.47Å
93G22.5Very low24.6Very low88 Ų88121.2 Ų121.291%0.90772%0.716SS**  trans-55.1122-179.800000111.3T91T91-G93 PolarHBondContact O-N 3.14Å
94G23.5Very low24.3Very low66 Ų66124 Ų12468%0.6873%0.73SS**  trans17399177.500000111.5T92T92-G94 PolarHBondContact O-N 3.47Å
95Q22.3Very low24Very low205 Ų205125.7 Ų125.796%0.95875%0.747SS**  trans24.9123.2150.9-63.4176.6-4.400119.1
96G23.3Very low23.8Very low75 Ų75124.2 Ų124.277%0.77375%0.747SS**  trans136.2125.2147.500000115
97L23.8Very low23.6Very low188 Ų188121.5 Ų121.598%0.98474%0.744SS**  trans-52.6143.5175.5-74.277.3000113.2
98G23.3Very low23.6Very low68 Ų68121 Ų12170%0.70175%0.753SS**  trans145.784.1159.900000112.7S100G98-S100 PolarHBondContact O-N 2.92Å
99A25.2Very low23.4Very low95 Ų95122.5 Ų122.579%0.78576%0.76SS**  trans-61.799.6163.900000108.3D101A99-D101 PolarHBondContact O-N 3.06Å
100S23.8Very low23.6Very low101 Ų101122.1 Ų122.171%0.70676%0.757SS**  trans-83.393.4168.660.90000107.9G98 I102G98-S100 PolarHBondContact O-N 2.92Å; S100-I102 PolarHBondContact O-N 3.26Å; S100-I102 VanDerWaalsContact O-N 3.12Å
101D23.2Very low23.6Very low138 Ų138119.8 Ų119.874%0.73875%0.754SS**  trans-64.4106.2167.7-69.1-33.9000108.5A99 N103A99-D101 PolarHBondContact O-N 3.06Å; D101-N103 PolarHBondContact O-N 3.29Å; D101-N103 VanDerWaalsContact O-N 3.09Å
102I24.7Very low23.6Very low142 Ų142118.1 Ų118.173%0.72875%0.749SS**  trans-78.793.7173.4-57.4175.1000107.4S100 L104S100-I102 PolarHBondContact O-N 3.26Å; S100-I102 VanDerWaalsContact O-N 3.12Å; I102-L104 HydrophobicContact CG2-CD1 3.95Å; I102-L104 PolarHBondContact O-N 3.41Å
103N21.3Very low23.6Very low151 Ų151120 Ų12081%0.80775%0.753SS**  trans-74.1106.4172.5-80-24.7000110.1D101D101-N103 PolarHBondContact O-N 3.29Å; D101-N103 VanDerWaalsContact O-N 3.09Å
104L22.7Very low23.7Very low121 Ų121124.2 Ų124.263%0.63475%0.75SS**  trans-87.2112.5165.5-107.488.7000109.6I102I102-L104 HydrophobicContact CG2-CD1 3.95Å; I102-L104 PolarHBondContact O-N 3.41Å
105S20.4Very low23.7Very low99 Ų99129.6 Ų129.669%0.69276%0.757SS**  trans-93.7125166.851.40000109.6
106V23.5Very low23.8Very low87 Ų87126.7 Ų126.753%0.52775%0.746SS.*  trans-121.4126.3179.8-1790000109.2
107A22.2Very low23.7Very low72 Ų72133.7 Ų133.760%0.59575%0.749SS**  trans-84.6147.5-177.900000111.8
108P23.9Very low23.7Very low121 Ų121132.8 Ų132.879%0.78675%0.745SS**  trans-86.3117.2-173.532-31.1000111.7
109Y24.4Very low23.7Very low216 Ų216134.2 Ų134.285%0.84774%0.744SS**  trans-131.1149158.4-90-84.3000111.3
110P27.1Very low23.6Very low99 Ų99135 Ų13564%0.64374%0.735SS**  trans-94.4147.4-176.935.9-27.4000110.8
111T25.5Very low23.7Very low122 Ų122135.4 Ų135.475%0.74873%0.728SS**  163145.1124.5390000115.5
112S24.2Very low23.7Very low110 Ų110134.6 Ų134.677%0.76973%0.728SS**  trans37.3118.5161.165.70000122.1E114S112-E114 PolarHBondContact O-N 2.84Å
113L24.4Very low23.7Very low155 Ų155134 Ų13481%0.81273%0.731SS**  trans-52.3123.1164.2-81.984.1000112.3
114E24.3Very low23.9Very low177 Ų177131.6 Ų131.683%0.82773%0.727SS**  trans-141.4128.2144.9-75.5-165.4154.700111.1S112S112-E114 PolarHBondContact O-N 2.84Å
115H23.6Very low24.6Very low179 Ų179134 Ų13483%0.82974%0.739SS**  trans9.4113168.9-66-77.3000120.2R117H115-R117 PolarHBondContact O-N 3.45Å
116I24.7Very low25Very low144 Ų144139.3 Ų139.374%0.73875%0.75SS**  trans-69.4110160.7-58.2168.6000108.3
117R22.7Very low25.4Very low222 Ų222138.3 Ų138.384%0.83875%0.747SS**  trans-100.6114.5167.9-94-176.8175.6162.60.4109.6H115 S119H115-R117 PolarHBondContact O-N 3.45Å; R117-S119 PolarHBondContact O-N 2.91Å
118L23.1Very low26.1Very low170 Ų170140.5 Ų140.589%0.8976%0.757SS**  trans-77.6102.6165.3-68.2113.8000108.6
119S22.8Very low26.6Very low97 Ų97139.3 Ų139.368%0.67875%0.752SS**  trans-95.4120.3169.355.40000109.9R117R117-S119 PolarHBondContact O-N 2.91Å
120N23.8Very low27.2Very low111 Ų111134.7 Ų134.759%0.59474%0.742SS**  trans-77.2122179.1-147.3-7.5000109.7T122 F158N120-T122 PolarHBondContact O-N 3.49Å; N120-F158 HydrophobicContact CB-CE1 4.18Å; N120-F158 WeakPolarHBondContact ND2-CE1 3.45Å; N120-F158 WeakPolarHBondContact ND2-CZ 3.43Å
121I24.9Very low28Very low111 Ų111136.6 Ų136.657%0.56974%0.74SS**  trans-75.3109.2172.6-64.1173.9000107.1V59 T123V59-I121 HydrophobicContact CG2-CD1 4.5Å; I121-T123 VanDerWaalsContact C-N 3.32Å; I121-T123 HydrophobicContact CG2-CG2 4.4Å; I121-T123 PolarHBondContact O-N 3.46Å
122T23.7Very low29Very low121 Ų121135.7 Ų135.774%0.74273%0.73SS**  trans-67.785.6171.246.40000110.1N120N120-T122 PolarHBondContact O-N 3.49Å
123T24.7Very low30.2Very low128 Ų128135.2 Ų135.279%0.78573%0.727SS**  trans-79.6118.315544.20000108.3I121I121-T123 VanDerWaalsContact C-N 3.32Å; I121-T123 HydrophobicContact CG2-CG2 4.4Å; I121-T123 PolarHBondContact O-N 3.46Å
124S26.4Very low32Very low102 Ų102134.9 Ų134.971%0.71372%0.715SS**  trans-58.9137.2-167.465.60000114.7K126S124-K126 PolarHBondContact O-N 2.96Å
125L36.4Very low34.3Very low170 Ų170132.6 Ų132.689%0.8970%0.702SS**SBendtrans6.993.5148.1-71.2119.8000116.5
126K29Very low36.9Very low212 Ų212124.6 Ų124.692%0.92267%0.666SS**  trans-168.350.7154.7-109.8170.5-166.2-176.50113.9S124S124-K126 PolarHBondContact O-N 2.96Å
127S33Very low39.6Very low66 Ų66123.4 Ų123.446%0.46266%0.656SS.*  trans-160.250.8160.969.30000114.2S129S127-S129 PolarHBondContact O-N 2.92Å
128S36Very low42.3Very low117 Ų117119.5 Ų119.582%0.81864%0.641SS**SBendtrans-66.3-24170.473.90000112.5
129S34.8Very low45.2Very low97 Ų97113.6 Ų113.668%0.67861%0.61SS**SBendtrans-78.9-26.5-177.957.40000114.8S127S127-S129 PolarHBondContact O-N 2.92Å
130N36.4Very low48.1Very low119 Ų119113.4 Ų113.464%0.63661%0.605SS**G310 helixtrans-89.1-3.9-178-77.1-1.4000113.9L132 S133N130-L132 VanDerWaalsContact C-N 3.29Å; N130-L132 PolarHBondContact O-N 2.93Å; N130-S133 PolarHBondContact O-OG 3.41Å
131K44.3Very low50.9Low139 Ų139109.9 Ų109.960%0.60459%0.585SS**G310 helixtrans-70-20.7-179.3-77.6-172.9176.8-174.70114.3S133K131-S133 PolarHBondContact O-N 2.81Å
132L46.6Very low53.7Low103 Ų103111 Ų11154%0.53959%0.588SS.*G310 helixtrans-71.8-14.3-177.3-147.474.9000113.5N130 I188N130-L132 VanDerWaalsContact C-N 3.29Å; N130-L132 PolarHBondContact O-N 2.93Å; L132-I188 HydrophobicContact CD2-CD1 4.17Å
133S48.6Very low56.5Low99 Ų99105.6 Ų105.669%0.69256%0.555SS**G310 helixtrans-87.1-9.8-167.966.30000115.5N130 K131N130-S133 PolarHBondContact O-OG 3.41Å; K131-S133 PolarHBondContact O-N 2.81Å
134R63.1Low59.2Low148 Ų148103 Ų10356%0.55854%0.536SS*.  trans-98.9108.8-173.3-154.3170.1-172.1165.54.3111S53 R156S53-R134 PolarHBondContact OG-NH2 3.41Å; R134-R156 PolarHBondContact O-NH1 3.36Å
135F72.6Confident61.9Low130 Ų13099.1 Ų99.157%0.5751%0.507SS*.PPolyproline II helixtrans-51146.4168.5-72.5-72.2000111.9R156 I179 Y183F135-R156 VanDerWaalsContact C-NH1 3.33Å; F135-R156 PolarHBondContact O-NH1 3.42Å; F135-R156 PolarHBondContact O-NH2 2.92Å; F135-I179 HydrophobicContact CD1-CG2 3.68Å; F135-I179 HydrophobicContact CE1-CG2 3.92Å; F135-Y183 HydrophobicContact CD1-CD2 4.21Å; F135-Y183 HydrophobicContact CD1-CE2 4.32Å; F135-Y183 HydrophobicContact CE1-CD2 4.29Å
136P78Confident64Low10 Ų1092.7 Ų92.77%0.06548%0.482CS..PPolyproline II helixtrans-56.9151.7-177.527.1-39.4000113.6R138 R156 W265 I268P136-R138 PolarHBondContact O-N 3.27Å; P136-R156 VanDerWaalsContact CA-NH2 3.28Å; P136-W265 HydrophobicContact CB-CD2 3.76Å; P136-W265 HydrophobicContact CB-CE3 4.45Å; P136-W265 HydrophobicContact CB-CG 3.93Å; P136-W265 HydrophobicContact CB-CZ2 4.27Å; P136-W265 HydrophobicContact CG-CD2 3.71Å; P136-W265 VanDerWaalsContact CG-CE2 3.49Å; P136-W265 HydrophobicContact CG-CE3 3.98Å; P136-W265 HydrophobicContact CG-CG 4.4Å; P136-W265 HydrophobicContact CG-CH2 4.03Å; P136-W265 HydrophobicContact CG-CZ2 3.69Å; P136-W265 HydrophobicContact CG-CZ3 4.14Å; P136-I268 HydrophobicContact CB-CD1 4.28Å; P136-I268 HydrophobicContact CB-CG1 4.12Å; P136-I268 HydrophobicContact CG-CD1 3.65Å; P136-I268 HydrophobicContact CG-CG1 4.02Å
137K80.3Confident66.5Low120 Ų12086.4 Ų86.452%0.52246%0.455SS..EExtended strand (participates in β ladder)trans-79.3123.6-178.1-174175.4178.8179.20107.7I139 P154 S266 G267 I268K137-I139 HydrophobicContact CD-CD1 4.3Å; K137-I139 HydrophobicContact CD-CG1 4.35Å; K137-I139 HydrophobicContact CG-CG1 4.16Å; K137-P154 HydrophobicContact CB-CB 4.37Å; K137-P154 HydrophobicContact CB-CG 4.22Å; K137-P154 HydrophobicContact CD-CB 3.97Å; K137-S266 PolarHBondContact N-O 2.98Å; K137-S266 VanDerWaalsContact N-O 3.15Å; K137-G267 CarbonylContact O-C 3.57Å; K137-G267 VanDerWaalsContact O-CA 3.25Å; K137-G267 WeakPolarHBondContact O-CA 3.08Å; K137-I268 PolarHBondContact O-N 3.31Å
138R80.7Confident68.9Low140 Ų14087.9 Ų87.953%0.52846%0.463SS..EExtended strand (participates in β ladder)trans-88.6127.3173.7-65.3-176-66.5-175.21.8109P136 I268P136-R138 PolarHBondContact O-N 3.27Å; R138-I268 CarbonylContact C-O 3.5Å; R138-I268 WeakPolarHBondContact CA-O 3.49Å; R138-I268 HydrophobicContact CG-CB 4.23Å; R138-I268 HydrophobicContact CG-CD1 4.13Å
139I83.6Confident71.3Confident46 Ų4683.2 Ų83.224%0.23643%0.429CS..EExtended strand (participates in β ladder)trans-126.2130.4177.3-62178.3000107.6K137 I141 P154 I268 I269 Y270K137-I139 HydrophobicContact CD-CD1 4.3Å; K137-I139 HydrophobicContact CD-CG1 4.35Å; K137-I139 HydrophobicContact CG-CG1 4.16Å; I139-I141 HydrophobicContact CG2-CG1 3.95Å; I139-P154 HydrophobicContact CD1-CB 3.75Å; I139-P154 HydrophobicContact CD1-CG 3.68Å; I139-I268 PolarHBondContact N-O 2.8Å; I139-I269 HydrophobicContact CB-CG1 4.37Å; I139-I269 CarbonylContact O-C 3.58Å; I139-I269 WeakPolarHBondContact O-CA 3.41Å; I139-Y270 PolarHBondContact O-N 3.24Å
140T84Confident73.8Confident93 Ų9383.4 Ų83.457%0.57142%0.422SS*.EExtended strand (participates in β ladder)trans-111.2124.8170.5-54.80000108Y270T140-Y270 CarbonylContact C-O 3.56Å; T140-Y270 WeakPolarHBondContact CA-O 3.22Å
141I82.8Confident76.2Confident36 Ų3677.8 Ų77.819%0.18539%0.392CS..EExtended strand (participates in β ladder)trans-109.3121.3177.3-56176.9000106.9I139 L149 I269 Y270 I271 D272I139-I141 HydrophobicContact CG2-CG1 3.95Å; I141-L149 HydrophobicContact CG2-CD1 3.73Å; I141-L149 HydrophobicContact CG2-CD2 4.24Å; I141-I269 HydrophobicContact CD1-CG2 3.94Å; I141-I269 HydrophobicContact CG1-CG2 4.44Å; I141-Y270 PolarHBondContact N-O 3.31Å; I141-I271 HydrophobicContact CB-CG1 4.3Å; I141-I271 HydrophobicContact CD1-CG1 4.47Å; I141-I271 CarbonylContact O-C 3.55Å; I141-I271 WeakPolarHBondContact O-CA 3.48Å; I141-D272 PolarHBondContact O-N 3.34Å
142Q83.5Confident78.2Confident135 Ų13574.7 Ų74.763%0.63138%0.384SS*.EExtended strand (participates in β ladder)trans-99.1130.1171.4-71.7-178.6-12.900109D272Q142-D272 WeakPolarHBondContact CA-O 3.46Å; Q142-D272 HydrophobicContact CG-CB 4.15Å
143V82.6Confident79.9Confident8 Ų870.1 Ų70.15%0.04836%0.361CS..EExtended strand (participates in β ladder)trans-140.9143.8-177.6630000109.9E147 L149 T231 I271 D272 V273 L274V143-E147 HydrophobicContact CG2-CB 3.87Å; V143-L149 HydrophobicContact CG1-CD2 4.32Å; V143-L149 HydrophobicContact CG2-CB 4.48Å; V143-T231 HydrophobicContact CG1-CG2 3.77Å; V143-T231 HydrophobicContact CG2-CG2 4.02Å; V143-I271 HydrophobicContact CG1-CG2 3.94Å; V143-D272 PolarHBondContact N-O 3.33Å; V143-V273 HydrophobicContact CG1-CB 4.49Å; V143-V273 HydrophobicContact CG1-CG2 3.94Å; V143-V273 CarbonylContact O-C 3.53Å; V143-V273 WeakPolarHBondContact O-CA 3.42Å; V143-L274 PolarHBondContact O-N 3.27Å
144N81.5Confident81.3Confident74 Ų7466.1 Ų66.140%0.39633%0.333SS..EExtended strand (participates in β ladder)trans-79.2142.5175.8-56.2-54.4000110.5G146 E147 T231N144-G146 PolarHBondContact O-N 3.43Å; N144-E147 HydrophobicContact CB-CG 4.12Å; N144-E147 PolarHBondContact N-OE2 3.08Å; N144-E147 PolarHBondContact ND2-OE1 2.86Å; N144-E147 PolarHBondContact ND2-OE2 3.39Å; N144-E147 WeakPolarHBondContact O-CB 3.34Å; N144-E147 PolarHBondContact O-N 3.41Å; N144-T231 PolarHBondContact O-OG1 2.75Å
145E82.3Confident81.7Confident20 Ų2063.9 Ų63.99%0.09333%0.331CS..THydrogen-bonded Turntrans-51.8129.3172.2-172.9-172.2173.600110.6V273 L274 Q276 R281E145-V273 HydrophobicContact CB-CG1 3.98Å; E145-L274 WeakPolarHBondContact CB-O 3.16Å; E145-L274 PolarHBondContact N-O 3.26Å; E145-Q276 HydrophobicContact CB-CB 4.37Å; E145-Q276 PolarHBondContact OE2-N 3.2Å; E145-R281 IonicContact OE1-CZ 3.67Å; E145-R281 IonicContact OE1-NH1 3.73Å; E145-R281 IonicContact OE1-NH2 2.76Å; E145-R281 PolarHBondContact OE1-NH2 3.41Å
146G80.3Confident81.1Confident35 Ų3560.9 Ų60.936%0.36132%0.316SS..THydrogen-bonded Turntrans97.3-16.6-178.400000114.4N144 T231N144-G146 PolarHBondContact O-N 3.43Å; G146-T231 PolarHBondContact N-O 3.4Å
147E81.4Confident79.9Confident79 Ų7962.3 Ų62.337%0.36933%0.333SS..  trans-81.4145.3-179.4-69.7176.217400111.6V143 N144 T231V143-E147 HydrophobicContact CG2-CB 3.87Å; N144-E147 HydrophobicContact CB-CG 4.12Å; N144-E147 PolarHBondContact N-OE2 3.08Å; N144-E147 PolarHBondContact ND2-OE1 2.86Å; N144-E147 PolarHBondContact ND2-OE2 3.39Å; N144-E147 WeakPolarHBondContact O-CB 3.34Å; N144-E147 PolarHBondContact O-N 3.41Å; E147-T231 WeakPolarHBondContact O-CG2 3.48Å; E147-T231 PolarHBondContact O-N 3.35Å; E147-T231 VanDerWaalsContact O-N 3.09Å; E147-T231 PolarHBondContact O-OG1 3.47Å; E147-T231 VanDerWaalsContact O-OG1 3.08Å
148P84.6Confident78.7Confident97 Ų9762.2 Ų62.263%0.6333%0.332SS*.  trans-70.1148.5169.731-34.4000110.7V228P148-V228 CarbonylContact C-O 3.45Å; P148-V228 VanDerWaalsContact CA-O 3.27Å; P148-V228 WeakPolarHBondContact CA-O 3.4Å
149L85.3Confident77.5Confident20 Ų2060.2 Ų60.211%0.10533%0.331CS..EExtended strand (participates in β ladder)trans-138.4134.5179.9174.364.5000110.7I141 V143 I151 V228 T231 I271I141-L149 HydrophobicContact CG2-CD1 3.73Å; I141-L149 HydrophobicContact CG2-CD2 4.24Å; V143-L149 HydrophobicContact CG1-CD2 4.32Å; V143-L149 HydrophobicContact CG2-CB 4.48Å; L149-I151 HydrophobicContact CD2-CD1 4.45Å; L149-I151 HydrophobicContact CD2-CG1 3.87Å; L149-I151 HydrophobicContact CG-CG1 3.98Å; L149-V228 HydrophobicContact CB-CB 4.17Å; L149-V228 HydrophobicContact CB-CG2 4.46Å; L149-V228 PolarHBondContact N-O 3.38Å; L149-V228 WeakPolarHBondContact O-CB 3.17Å; L149-V228 PolarHBondContact O-N 2.72Å; L149-T231 HydrophobicContact CB-CG2 3.87Å; L149-T231 HydrophobicContact CD2-CG2 4.37Å; L149-I271 HydrophobicContact CD2-CD1 3.96Å; L149-I271 HydrophobicContact CD2-CG1 4.12Å; L149-I271 HydrophobicContact CD2-CG2 3.82Å
150I87Confident76.3Confident101 Ų10164.5 Ų64.552%0.51835%0.35SS..EExtended strand (participates in β ladder)trans-104.9118.5167.8-55.1177.4000108.1T152 N225 I226 I227I150-T152 HydrophobicContact CG2-CG2 4.08Å; I150-N225 HydrophobicContact CG2-CB 4.22Å; I150-I226 CarbonylContact C-O 3.56Å; I150-I226 WeakPolarHBondContact CA-O 3.32Å; I150-I227 HydrophobicContact CG1-CG1 4.45Å
151I86.2Confident75.5Confident0 Ų062.5 Ų62.50%033%0.334CS..EExtended strand (participates in β ladder)trans-97.6107.9179.9-47.7165.3000107.8L149 W165 N225 I226 V228 L245 I269 I271L149-I151 HydrophobicContact CD2-CD1 4.45Å; L149-I151 HydrophobicContact CD2-CG1 3.87Å; L149-I151 HydrophobicContact CG-CG1 3.98Å; I151-W165 HydrophobicContact CG2-CH2 3.85Å; I151-W165 HydrophobicContact CG2-CZ3 4.08Å; I151-N225 WeakPolarHBondContact O-CB 3.17Å; I151-I226 HydrophobicContact CB-CB 4.1Å; I151-I226 HydrophobicContact CD1-CB 4.09Å; I151-I226 HydrophobicContact CD1-CD1 4.49Å; I151-I226 HydrophobicContact CD1-CG2 4.15Å; I151-I226 HydrophobicContact CG1-CB 4.42Å; I151-I226 PolarHBondContact N-O 3.08Å; I151-I226 PolarHBondContact O-N 3.38Å; I151-V228 HydrophobicContact CD1-CG2 3.73Å; I151-V228 HydrophobicContact CG1-CG2 4.22Å; I151-L245 HydrophobicContact CD1-CD1 4.03Å; I151-L245 HydrophobicContact CG2-CD1 4.27Å; I151-I269 HydrophobicContact CG2-CD1 4.08Å; I151-I269 HydrophobicContact CG2-CG2 3.93Å; I151-I271 HydrophobicContact CD1-CD1 3.28Å; I151-I271 HydrophobicContact CG1-CD1 3.7Å; I151-I271 HydrophobicContact CG2-CD1 4.31Å
152T86.4Confident75.3Confident74 Ų7463.4 Ų63.445%0.45434%0.342SS..PPolyproline II helixtrans-100140.5177.758.90000110.7I150 N225 I269I150-T152 HydrophobicContact CG2-CG2 4.08Å; T152-N225 WeakPolarHBondContact CA-OD1 3.44Å; T152-N225 HydrophobicContact CG2-CB 4.3Å; T152-I269 WeakPolarHBondContact O-CD1 3.5Å
153C83.3Confident75.4Confident7 Ų757.8 Ų57.85%0.04732%0.316CS..PPolyproline II helixtrans-80.2130.5173-174.80000109.5I155 I163 W165 C247C153-I155 PolarHBondContact O-N 2.81Å; C153-I163 HydrophobicContact CB-CD1 3.82Å; C153-I163 HydrophobicContact CB-CG1 4.36Å; C153-I163 HydrophobicContact CB-CG2 3.93Å; C153-W165 HydrophobicContact CB-CH2 4.06Å; C153-W165 HydrophobicContact CB-CZ2 4.13Å; C153-C247 VanDerWaalsContact CA-SG 3.57Å; C153-C247 HydrophobicContact CB-CB 3.67Å; C153-C247 WeakPolarHBondContact CB-SG 3.4Å; C153-C247 WeakPolarHBondContact SG-CB 3.34Å; C153-C247 CovalentContact SG-SG 2.04Å; C153-C247 PolarHBondContact SG-SG 3.02Å
154P78.6Confident75.7Confident15 Ų1558.1 Ų58.110%0.09732%0.318CS..PPolyproline II helixtrans-58.8140.7172.422-31.3000110.8K137 I139 H249 S266K137-P154 HydrophobicContact CB-CB 4.37Å; K137-P154 HydrophobicContact CB-CG 4.22Å; K137-P154 HydrophobicContact CD-CB 3.97Å; I139-P154 HydrophobicContact CD1-CB 3.75Å; I139-P154 HydrophobicContact CD1-CG 3.68Å; P154-H249 PolarHBondContact O-NE2 2.93Å; P154-S266 VanDerWaalsContact O-CB 3.31Å; P154-S266 WeakPolarHBondContact O-CB 3.42Å
155I70Confident76.2Confident102 Ų10254.8 Ų54.852%0.52330%0.3SS..PPolyproline II helixtrans-93.7132.5-179.1-59160.5000108.7C153 G157 I159C153-I155 PolarHBondContact O-N 2.81Å; I155-G157 WeakPolarHBondContact CG2-O 3.4Å; I155-I159 HydrophobicContact CB-CG1 4.45Å; I155-I159 HydrophobicContact CD1-CD1 3.26Å; I155-I159 HydrophobicContact CD1-CG1 4.06Å; I155-I159 HydrophobicContact CG1-CD1 3.51Å; I155-I159 HydrophobicContact CG1-CG1 3.84Å; I155-I159 HydrophobicContact CG2-CD1 4.23Å; I155-I159 HydrophobicContact CG2-CG1 3.77Å
156R60.1Low76.6Confident66 Ų6653.8 Ų53.825%0.24930%0.295CS..SBendtrans-112.810.1176.3-71.8-165.3172.7-143.3-32.7114.3R134 F135 P136 D264 S266R134-R156 PolarHBondContact O-NH1 3.36Å; F135-R156 VanDerWaalsContact C-NH1 3.33Å; F135-R156 PolarHBondContact O-NH1 3.42Å; F135-R156 PolarHBondContact O-NH2 2.92Å; P136-R156 VanDerWaalsContact CA-NH2 3.28Å; R156-D264 WeakPolarHBondContact CB-OD2 3.45Å; R156-S266 PolarHBondContact NE-O 3.23Å
157G53.4Low77.2Confident41 Ų4154.2 Ų54.242%0.42329%0.286SS..SBendtrans167.4-149.7-177.200000111.2I155 I159I155-G157 WeakPolarHBondContact CG2-O 3.4Å; G157-I159 PolarHBondContact O-N 3.48Å
158F54.4Low77.7Confident118 Ų11850.8 Ų50.852%0.51827%0.272SS..  trans-70.8126.6176.9-64.6-93.5000110.5N120 E160N120-F158 HydrophobicContact CB-CE1 4.18Å; N120-F158 WeakPolarHBondContact ND2-CE1 3.45Å; N120-F158 WeakPolarHBondContact ND2-CZ 3.43Å; F158-E160 HydrophobicContact CB-CG 4.36Å; F158-E160 PolarHBondContact O-N 2.77Å
159I56.7Low77.9Confident97 Ų9747 Ų4750%0.49725%0.247SC..  trans-83.798.4170.5-51.4164.9000107.3I155 G157I155-I159 HydrophobicContact CB-CG1 4.45Å; I155-I159 HydrophobicContact CD1-CD1 3.26Å; I155-I159 HydrophobicContact CD1-CG1 4.06Å; I155-I159 HydrophobicContact CG1-CD1 3.51Å; I155-I159 HydrophobicContact CG1-CG1 3.84Å; I155-I159 HydrophobicContact CG2-CD1 4.23Å; I155-I159 HydrophobicContact CG2-CG1 3.77Å; G157-I159 PolarHBondContact O-N 3.48Å
160E57.4Low77.9Confident136 Ų13652.5 Ų52.564%0.63628%0.276SS*.  trans-108.7-12.6173.9-69.9-175.4-17500112.9F158 I261F158-E160 HydrophobicContact CB-CG 4.36Å; F158-E160 PolarHBondContact O-N 2.77Å; E160-I261 VanDerWaalsContact CD-CD1 3.47Å; E160-I261 HydrophobicContact CG-CD1 4.32Å; E160-I261 WeakPolarHBondContact OE2-CD1 3.43Å
161K68.2Low77.9Confident52 Ų5251.7 Ų51.723%0.22627%0.273CS..SBendtrans-135.9155.5-166.6-68.5-175.7-180179.80111.5G250 D260 I261K161-G250 VanDerWaalsContact CB-CA 3.48Å; K161-D260 IonicContact NZ-OD1 2.89Å; K161-D260 PolarHBondContact NZ-OD1 3.3Å; K161-I261 PolarHBondContact NZ-O 3.42Å
162P78.8Confident77.9Confident55 Ų5556.9 Ų56.936%0.35730%0.296SS..PPolyproline II helixtrans-61.2156.4-178.526.1-36.2000112.6Y224 G250P162-Y224 HydrophobicContact CB-CD1 3.9Å; P162-Y224 HydrophobicContact CB-CD2 3.99Å; P162-Y224 HydrophobicContact CB-CE1 3.72Å; P162-Y224 HydrophobicContact CB-CE2 3.83Å; P162-Y224 HydrophobicContact CB-CG 4.03Å; P162-G250 CarbonylContact O-C 3.57Å; P162-G250 PolarHBondContact O-N 2.9Å
163I85.4Confident78Confident17 Ų1758.9 Ų58.99%0.08730%0.304CS..EExtended strand (participates in β ladder)trans-86.5124.6178.3-56.8166.9000109.3C153 W165 C247 I248C153-I163 HydrophobicContact CB-CD1 3.82Å; C153-I163 HydrophobicContact CB-CG1 4.36Å; C153-I163 HydrophobicContact CB-CG2 3.93Å; I163-W165 HydrophobicContact CG2-CD2 4.14Å; I163-W165 HydrophobicContact CG2-CG 4.4Å; I163-W165 HydrophobicContact CG2-CZ2 3.89Å; I163-C247 HydrophobicContact CG2-CB 3.95Å; I163-I248 WeakPolarHBondContact CA-O 3.29Å
164T88Confident78.4Confident14 Ų1464 Ų649%0.08633%0.327CS..EExtended strand (participates in β ladder)trans-97.3125.1170.9-58.90000110.5L166 Q204 C247 I248 G250 P252T164-L166 HydrophobicContact CG2-CD2 4.36Å; T164-Q204 HydrophobicContact CG2-CG 4.18Å; T164-C247 WeakPolarHBondContact O-CA 3.17Å; T164-I248 PolarHBondContact N-O 3.29Å; T164-I248 PolarHBondContact O-N 2.61Å; T164-G250 PolarHBondContact OG1-O 3.38Å; T164-P252 HydrophobicContact CG2-CG 3.81Å; T164-P252 WeakPolarHBondContact OG1-CD 3.4Å
165W91.6Very high78.9Confident4 Ų463.3 Ų63.32%0.01532%0.322CS..EExtended strand (participates in β ladder)trans-104.2127.9-178.2-65.797.3000111.4I151 C153 I163 Q204 V205 F207 Y224 I226 L245 I246 C247 I269I151-W165 HydrophobicContact CG2-CH2 3.85Å; I151-W165 HydrophobicContact CG2-CZ3 4.08Å; C153-W165 HydrophobicContact CB-CH2 4.06Å; C153-W165 HydrophobicContact CB-CZ2 4.13Å; I163-W165 HydrophobicContact CG2-CD2 4.14Å; I163-W165 HydrophobicContact CG2-CG 4.4Å; I163-W165 HydrophobicContact CG2-CZ2 3.89Å; W165-Q204 WeakPolarHBondContact O-CG 3.25Å; W165-V205 HydrophobicContact CB-CB 4.02Å; W165-V205 HydrophobicContact CB-CG2 3.97Å; W165-V205 PolarHBondContact O-N 2.76Å; W165-F207 HydrophobicContact CB-CE2 4.2Å; W165-F207 HydrophobicContact CB-CZ 4.13Å; W165-F207 AromaticContact CD1-CE2 3.79Å; W165-F207 AromaticContact CD1-CZ 3.63Å; W165-F207 HydrophobicContact CG-CE2 4.26Å; W165-F207 AromaticContact CG-CZ 3.97Å; W165-F207 HydrophobicContact CG-CZ 3.97Å; W165-Y224 PolarHBondContact NE1-O 3.34Å; W165-I226 HydrophobicContact CB-CD1 4.5Å; W165-I226 HydrophobicContact CD2-CD1 3.59Å; W165-I226 HydrophobicContact CD2-CG1 4.04Å; W165-I226 HydrophobicContact CE3-CD1 3.87Å; W165-I226 HydrophobicContact CG-CD1 3.87Å; W165-I226 HydrophobicContact CG-CG1 4.35Å; W165-I226 HydrophobicContact CZ2-CD1 4.28Å; W165-I226 HydrophobicContact CZ2-CG1 4.02Å; W165-I226 HydrophobicContact CZ3-CD1 4.3Å; W165-L245 HydrophobicContact CE3-CB 4.06Å; W165-L245 HydrophobicContact CE3-CD1 3.97Å; W165-L245 HydrophobicContact CZ3-CB 4.16Å; W165-L245 HydrophobicContact CZ3-CD1 3.96Å; W165-I246 WeakPolarHBondContact CA-O 3.2Å; W165-C247 HydrophobicContact CD2-CB 4.19Å; W165-C247 HydrophobicContact CE3-CB 3.71Å; W165-C247 HydrophobicContact CH2-CB 3.93Å; W165-C247 HydrophobicContact CZ2-CB 4.38Å; W165-C247 HydrophobicContact CZ3-CB 3.6Å; W165-I269 HydrophobicContact CH2-CD1 3.71Å; W165-I269 HydrophobicContact CZ3-CD1 3.58Å
166L92.5Very high79.8Confident0 Ų060.6 Ų60.60%031%0.308CS..EExtended strand (participates in β ladder)trans-120.6148.6177.3-54.3175.9000109.8T164 A168 L198 I199 L202 Q204 L245 I246 I248T164-L166 HydrophobicContact CG2-CD2 4.36Å; L166-A168 PolarHBondContact O-N 3.39Å; L166-L198 HydrophobicContact CD1-CB 3.79Å; L166-I199 HydrophobicContact CD1-CG1 4.14Å; L166-I199 HydrophobicContact CD2-CG1 4.18Å; L166-L202 HydrophobicContact CB-CB 4.31Å; L166-L202 HydrophobicContact CB-CD1 4.2Å; L166-L202 HydrophobicContact CD1-CB 4.42Å; L166-L202 HydrophobicContact CD1-CD1 4.2Å; L166-Q204 HydrophobicContact CD2-CB 3.8Å; L166-Q204 HydrophobicContact CD2-CG 4.12Å; L166-L245 WeakPolarHBondContact O-CA 3.45Å; L166-I246 HydrophobicContact CB-CB 4.23Å; L166-I246 HydrophobicContact CD1-CG2 4.44Å; L166-I246 PolarHBondContact N-O 2.82Å; L166-I246 PolarHBondContact O-N 3.2Å; L166-I248 HydrophobicContact CD1-CD1 3.74Å
167Y92.5Very high81.3Confident43 Ų4364.7 Ų64.717%0.16933%0.328CS..EExtended strand (participates in β ladder)trans-71.8126.8169.6-69.4-80.5000109.7K203 V205 K240 L242Y167-K203 HydrophobicContact CD2-CB 4.24Å; Y167-K203 HydrophobicContact CD2-CG 4.39Å; Y167-K203 WeakPolarHBondContact CD2-O 3.26Å; Y167-K203 PolarHBondContact N-O 3.43Å; Y167-V205 HydrophobicContact CD1-CG2 4.49Å; Y167-V205 HydrophobicContact CD2-CG2 4.02Å; Y167-V205 HydrophobicContact CE1-CG2 4.32Å; Y167-V205 HydrophobicContact CE2-CB 4.31Å; Y167-V205 HydrophobicContact CE2-CG2 3.81Å; Y167-V205 HydrophobicContact CG-CG2 4.35Å; Y167-K240 HydrophobicContact CE1-CB 4.35Å; Y167-L242 HydrophobicContact CE1-CD2 3.68Å
168A91.3Very high83.1Confident8 Ų863.3 Ų63.37%0.06631%0.311CS..PPolyproline II helixtrans-85.9151.5171.900000110.3L166 L175 N244 I246L166-A168 PolarHBondContact O-N 3.39Å; A168-L175 HydrophobicContact CB-CD1 4.45Å; A168-N244 HydrophobicContact CB-CB 3.98Å; A168-N244 PolarHBondContact N-O 2.98Å; A168-I246 HydrophobicContact CB-CD1 3.86Å; A168-I246 HydrophobicContact CB-CG1 3.77Å
169P89.4Confident84.7Confident16 Ų1658 Ų5810%0.10429%0.288CS..PPolyproline II helixtrans-59.4140.4169.7-22.332.8000112N171 E174 L175 L178 L202P169-N171 VanDerWaalsContact C-N 3.35Å; P169-E174 HydrophobicContact CB-CB 4.07Å; P169-E174 HydrophobicContact CB-CG 3.88Å; P169-E174 HydrophobicContact CG-CG 4.13Å; P169-L175 HydrophobicContact CB-CB 4.48Å; P169-L178 HydrophobicContact CG-CD2 4.33Å; P169-L202 HydrophobicContact CG-CD2 4.36Å
170D85.1Confident86.2Confident136 Ų13660.3 Ų60.373%0.72729%0.294SS*.SBendtrans-73.4-29.4177.9-60.4-34.6000112.2N244D170-N244 WeakPolarHBondContact CA-ND2 3.38Å; D170-N244 PolarHBondContact OD1-ND2 2.76Å
171N86.8Confident87.8Confident84 Ų8455.9 Ų55.945%0.44928%0.276SS..SBendtrans-81.3124177.8-174.3-5.3000110.7P169 D173 E174 L175P169-N171 VanDerWaalsContact C-N 3.35Å; N171-D173 VanDerWaalsContact C-N 3.27Å; N171-D173 PolarHBondContact O-N 3.08Å; N171-D173 PolarHBondContact OD1-N 2.92Å; N171-E174 HydrophobicContact CB-CB 4Å; N171-E174 PolarHBondContact O-N 3.38Å; N171-L175 PolarHBondContact O-N 3.19Å
172F86.3Confident88.7Confident109 Ų10953.4 Ų53.448%0.47827%0.266SS..Hα-helixtrans-56.2-39.3176-177.5-98.8000112.9L175 M176F172-L175 PolarHBondContact O-N 3.42Å; F172-M176 HydrophobicContact CD1-CG 4.06Å; F172-M176 HydrophobicContact CE1-CG 3.59Å; F172-M176 HydrophobicContact CE2-CG 4.15Å; F172-M176 HydrophobicContact CE2-SD 4.34Å; F172-M176 HydrophobicContact CZ-CG 3.64Å; F172-M176 HydrophobicContact CZ-SD 3.98Å; F172-M176 WeakPolarHBondContact O-CB 3.29Å; F172-M176 WeakPolarHBondContact O-CG 3.32Å; F172-M176 PolarHBondContact O-N 2.82Å
173D89.4Confident89Confident117 Ų11753.1 Ų53.163%0.62626%0.258SS*.Hα-helixtrans-67.5-41.1180-68.9-33.8000111.9N171 M176 K177N171-D173 VanDerWaalsContact C-N 3.27Å; N171-D173 PolarHBondContact O-N 3.08Å; N171-D173 PolarHBondContact OD1-N 2.92Å; D173-M176 PolarHBondContact O-N 3.08Å; D173-K177 WeakPolarHBondContact O-CB 3.3Å; D173-K177 PolarHBondContact O-N 3.44Å
174E91.4Very high89.1Confident113 Ų11355.9 Ų55.953%0.52827%0.273SS..Hα-helixtrans-65.4-43.3177-173.8177-17500110.9P169 N171 K177 L178P169-E174 HydrophobicContact CB-CB 4.07Å; P169-E174 HydrophobicContact CB-CG 3.88Å; P169-E174 HydrophobicContact CG-CG 4.13Å; N171-E174 HydrophobicContact CB-CB 4Å; N171-E174 PolarHBondContact O-N 3.38Å; E174-K177 WeakPolarHBondContact O-CB 3.35Å; E174-K177 PolarHBondContact O-N 3.19Å; E174-L178 WeakPolarHBondContact O-CB 3.29Å; E174-L178 PolarHBondContact O-N 3.07Å
175L89.3Confident89Confident1 Ų163.3 Ų63.31%0.00530%0.3CS..Hα-helixtrans-63.2-44.5174.1178.174.6000111.8A168 P169 N171 F172 K177 L178 I179 I246 I268 Y270A168-L175 HydrophobicContact CB-CD1 4.45Å; P169-L175 HydrophobicContact CB-CB 4.48Å; N171-L175 PolarHBondContact O-N 3.19Å; F172-L175 PolarHBondContact O-N 3.42Å; L175-K177 VanDerWaalsContact C-N 3.27Å; L175-K177 PolarHBondContact O-N 3.38Å; L175-L178 HydrophobicContact CD1-CD2 4.33Å; L175-L178 WeakPolarHBondContact O-CB 3.07Å; L175-L178 PolarHBondContact O-N 3.5Å; L175-L178 VanDerWaalsContact O-N 3.11Å; L175-I179 HydrophobicContact CD1-CG1 4.47Å; L175-I179 HydrophobicContact CD2-CD1 4.43Å; L175-I179 HydrophobicContact CG-CD1 4.04Å; L175-I179 HydrophobicContact CG-CG1 4.39Å; L175-I179 WeakPolarHBondContact O-CG1 3.49Å; L175-I179 PolarHBondContact O-N 2.96Å; L175-I246 HydrophobicContact CD1-CD1 4.12Å; L175-I268 HydrophobicContact CD1-CD1 4.41Å; L175-I268 HydrophobicContact CD2-CD1 4.35Å; L175-I268 HydrophobicContact CD2-CG2 4.07Å; L175-Y270 HydrophobicContact CD2-CE1 4.26Å; L175-Y270 WeakPolarHBondContact CD2-OH 3.28Å
176M88.2Confident88.9Confident46 Ų4666.7 Ų66.723%0.22732%0.321CS..Hα-helixtrans-63.4-37.2178.8-78.5-52.2-3700111.9F172 D173 I179 K180F172-M176 HydrophobicContact CD1-CG 4.06Å; F172-M176 HydrophobicContact CE1-CG 3.59Å; F172-M176 HydrophobicContact CE2-CG 4.15Å; F172-M176 HydrophobicContact CE2-SD 4.34Å; F172-M176 HydrophobicContact CZ-CG 3.64Å; F172-M176 HydrophobicContact CZ-SD 3.98Å; F172-M176 WeakPolarHBondContact O-CB 3.29Å; F172-M176 WeakPolarHBondContact O-CG 3.32Å; F172-M176 PolarHBondContact O-N 2.82Å; D173-M176 PolarHBondContact O-N 3.08Å; M176-I179 HydrophobicContact CE-CB 4.48Å; M176-I179 HydrophobicContact CE-CD1 4.18Å; M176-I179 HydrophobicContact SD-CD1 3.89Å; M176-K180 WeakPolarHBondContact O-CB 3.46Å; M176-K180 VanDerWaalsContact O-CG 3.32Å; M176-K180 WeakPolarHBondContact O-CG 3.33Å; M176-K180 PolarHBondContact O-N 2.61Å
177K91.3Very high88.6Confident151 Ų15167.1 Ų67.166%0.65732%0.324SS*.Hα-helixtrans-61.6-46.1170.9-175.1-179.5178.8-177.10110.8D173 E174 L175 I179 K180 T181D173-K177 WeakPolarHBondContact O-CB 3.3Å; D173-K177 PolarHBondContact O-N 3.44Å; E174-K177 WeakPolarHBondContact O-CB 3.35Å; E174-K177 PolarHBondContact O-N 3.19Å; L175-K177 VanDerWaalsContact C-N 3.27Å; L175-K177 PolarHBondContact O-N 3.38Å; K177-I179 PolarHBondContact O-N 3.31Å; K177-K180 PolarHBondContact O-N 2.83Å; K177-T181 WeakPolarHBondContact O-CB 3.34Å; K177-T181 PolarHBondContact O-N 3.43Å; K177-T181 PolarHBondContact O-OG1 3.37Å
178L91.5Very high88.2Confident13 Ų1366.6 Ų66.67%0.06832%0.324CS..Hα-helixtrans-58.1-48176.9-174.779.2000112P169 E174 L175 T181 A182 Y197 L198 T201 L202 I246P169-L178 HydrophobicContact CG-CD2 4.33Å; E174-L178 WeakPolarHBondContact O-CB 3.29Å; E174-L178 PolarHBondContact O-N 3.07Å; L175-L178 HydrophobicContact CD1-CD2 4.33Å; L175-L178 WeakPolarHBondContact O-CB 3.07Å; L175-L178 PolarHBondContact O-N 3.5Å; L175-L178 VanDerWaalsContact O-N 3.11Å; L178-T181 PolarHBondContact O-N 3.02Å; L178-A182 WeakPolarHBondContact O-CB 3.18Å; L178-A182 PolarHBondContact O-N 2.8Å; L178-Y197 HydrophobicContact CD1-CE1 3.76Å; L178-Y197 HydrophobicContact CG-CE1 4.46Å; L178-L198 HydrophobicContact CD1-CD2 4.35Å; L178-L198 HydrophobicContact CD2-CD2 3.71Å; L178-L198 HydrophobicContact CG-CD2 3.95Å; L178-T201 HydrophobicContact CD1-CG2 3.82Å; L178-L202 HydrophobicContact CD2-CD1 3.83Å; L178-L202 HydrophobicContact CD2-CD2 4Å; L178-L202 HydrophobicContact CD2-CG 4.18Å; L178-I246 HydrophobicContact CD2-CD1 4.21Å
179I88.3Confident87.9Confident7 Ų771 Ų714%0.03635%0.345CS..Hα-helixtrans-58.8-50.4177.2-64165000109.9F135 L175 M176 K177 T181 A182 Y183 W265 I268F135-I179 HydrophobicContact CD1-CG2 3.68Å; F135-I179 HydrophobicContact CE1-CG2 3.92Å; L175-I179 HydrophobicContact CD1-CG1 4.47Å; L175-I179 HydrophobicContact CD2-CD1 4.43Å; L175-I179 HydrophobicContact CG-CD1 4.04Å; L175-I179 HydrophobicContact CG-CG1 4.39Å; L175-I179 WeakPolarHBondContact O-CG1 3.49Å; L175-I179 PolarHBondContact O-N 2.96Å; M176-I179 HydrophobicContact CE-CB 4.48Å; M176-I179 HydrophobicContact CE-CD1 4.18Å; M176-I179 HydrophobicContact SD-CD1 3.89Å; K177-I179 PolarHBondContact O-N 3.31Å; I179-T181 VanDerWaalsContact C-N 3.32Å; I179-T181 PolarHBondContact O-N 2.89Å; I179-A182 PolarHBondContact O-N 2.94Å; I179-Y183 HydrophobicContact CG2-CD2 4.14Å; I179-Y183 HydrophobicContact CG2-CE2 4.41Å; I179-Y183 WeakPolarHBondContact O-CD2 3.45Å; I179-Y183 PolarHBondContact O-N 3.48Å; I179-Y183 VanDerWaalsContact O-N 3.15Å; I179-W265 HydrophobicContact CB-CH2 4.18Å; I179-W265 HydrophobicContact CG1-CH2 3.48Å; I179-W265 VanDerWaalsContact CG1-CH2 3.48Å; I179-W265 HydrophobicContact CG1-CZ2 4.17Å; I179-W265 HydrophobicContact CG1-CZ3 4.26Å; I179-W265 HydrophobicContact CG2-CH2 4.48Å; I179-W265 HydrophobicContact CG2-CZ3 4.48Å; I179-I268 HydrophobicContact CD1-CD1 3.56Å; I179-I268 HydrophobicContact CG1-CD1 4.08Å
180K88.2Confident87.9Confident145 Ų14577.1 Ų77.163%0.6337%0.373SS*.Hα-helixtrans-60.9-40.8-179.7-74.3176.8179.8-179.20112.1M176 K177 N184M176-K180 WeakPolarHBondContact O-CB 3.46Å; M176-K180 VanDerWaalsContact O-CG 3.32Å; M176-K180 WeakPolarHBondContact O-CG 3.33Å; M176-K180 PolarHBondContact O-N 2.61Å; K177-K180 PolarHBondContact O-N 2.83Å; K180-N184 PolarHBondContact O-N 3.06Å
181T90.2Very high87.8Confident43 Ų4372.8 Ų72.826%0.26435%0.348SS..Hα-helixtrans-68-43.4176.8-580000111.4K177 L178 I179 Y183 N184 T187 Y197K177-T181 WeakPolarHBondContact O-CB 3.34Å; K177-T181 PolarHBondContact O-N 3.43Å; K177-T181 PolarHBondContact O-OG1 3.37Å; L178-T181 PolarHBondContact O-N 3.02Å; I179-T181 VanDerWaalsContact C-N 3.32Å; I179-T181 PolarHBondContact O-N 2.89Å; T181-Y183 VanDerWaalsContact C-N 3.28Å; T181-Y183 PolarHBondContact O-N 2.83Å; T181-N184 VanDerWaalsContact O-CB 3.24Å; T181-N184 WeakPolarHBondContact O-CB 3.3Å; T181-N184 PolarHBondContact O-N 3.35Å; T181-T187 WeakPolarHBondContact O-CB 3.32Å; T181-T187 WeakPolarHBondContact O-CG2 3.47Å; T181-T187 PolarHBondContact O-OG1 2.83Å; T181-T187 VanDerWaalsContact O-OG1 3.05Å; T181-Y197 HydrophobicContact CG2-CE1 4.19Å; T181-Y197 HydrophobicContact CG2-CE2 4.05Å; T181-Y197 VanDerWaalsContact CG2-OH 3.28Å; T181-Y197 WeakPolarHBondContact CG2-OH 2.86Å
182A87.5Confident87.5Confident0 Ų076 Ų760%036%0.358CS..Hα-helixtrans-60.2-37.3-179.500000112.9L178 I179 P194 Y197 W265L178-A182 WeakPolarHBondContact O-CB 3.18Å; L178-A182 PolarHBondContact O-N 2.8Å; I179-A182 PolarHBondContact O-N 2.94Å; A182-P194 HydrophobicContact CB-CB 4.15Å; A182-Y197 HydrophobicContact CB-CD1 3.53Å; A182-Y197 HydrophobicContact CB-CE1 3.92Å; A182-W265 HydrophobicContact CB-CZ3 4.05Å
183Y85.3Confident87.3Confident48 Ų4871.3 Ų71.319%0.18834%0.338CS..THydrogen-bonded Turntrans-91.56.2176.8-74-84.2000113.8F135 I179 T181 P194 W265F135-Y183 HydrophobicContact CD1-CD2 4.21Å; F135-Y183 HydrophobicContact CD1-CE2 4.32Å; F135-Y183 HydrophobicContact CE1-CD2 4.29Å; I179-Y183 HydrophobicContact CG2-CD2 4.14Å; I179-Y183 HydrophobicContact CG2-CE2 4.41Å; I179-Y183 WeakPolarHBondContact O-CD2 3.45Å; I179-Y183 PolarHBondContact O-N 3.48Å; I179-Y183 VanDerWaalsContact O-N 3.15Å; T181-Y183 VanDerWaalsContact C-N 3.28Å; T181-Y183 PolarHBondContact O-N 2.83Å; Y183-P194 HydrophobicContact CD1-CG 4.04Å; Y183-P194 HydrophobicContact CE1-CB 4.49Å; Y183-P194 HydrophobicContact CE1-CG 3.98Å; Y183-W265 HydrophobicContact CD2-CE3 4.47Å; Y183-W265 HydrophobicContact CD2-CZ3 4.22Å; Y183-W265 AromaticContact CE2-CE3 3.53Å; Y183-W265 HydrophobicContact CE2-CE3 3.53Å; Y183-W265 AromaticContact CE2-CZ3 3.64Å; Y183-W265 HydrophobicContact CE2-CZ3 3.64Å
184N86.6Confident87.1Confident76 Ų7666.2 Ų66.241%0.40631%0.312SS..  trans-71.5137.4174.3-170-3.2000110K180 T181 T186 T187 I188K180-N184 PolarHBondContact O-N 3.06Å; T181-N184 VanDerWaalsContact O-CB 3.24Å; T181-N184 WeakPolarHBondContact O-CB 3.3Å; T181-N184 PolarHBondContact O-N 3.35Å; N184-T186 VanDerWaalsContact C-N 3.27Å; N184-T186 PolarHBondContact ND2-OG1 2.9Å; N184-T186 PolarHBondContact O-N 3.18Å; N184-T187 PolarHBondContact O-N 2.87Å; N184-T187 VanDerWaalsContact O-N 3.12Å; N184-I188 WeakPolarHBondContact O-CG1 3.25Å; N184-I188 PolarHBondContact O-N 3.03Å
185Y86.1Confident86.8Confident169 Ų16961 Ų6166%0.66329%0.288SS*.Hα-helixtrans-54.4-41.6179-178.4-107.4000112.7T187 I188 I189Y185-T187 PolarHBondContact O-N 2.76Å; Y185-I188 PolarHBondContact O-N 3.02Å; Y185-I189 HydrophobicContact CD1-CD1 3.71Å; Y185-I189 HydrophobicContact CE1-CD1 3.21Å; Y185-I189 HydrophobicContact CE1-CG1 4.25Å; Y185-I189 HydrophobicContact CE2-CD1 4.26Å; Y185-I189 HydrophobicContact CG-CD1 4.42Å; Y185-I189 WeakPolarHBondContact O-CG1 3.48Å; Y185-I189 PolarHBondContact O-N 2.81Å
186T90.1Very high86.6Confident75 Ų7565.3 Ų65.346%0.4630%0.304SS..Hα-helixtrans-63.6-42.1178.655.40000112.1N184 I189 Q190N184-T186 VanDerWaalsContact C-N 3.27Å; N184-T186 PolarHBondContact ND2-OG1 2.9Å; N184-T186 PolarHBondContact O-N 3.18Å; T186-I189 PolarHBondContact O-N 2.86Å; T186-Q190 WeakPolarHBondContact O-CG 3.33Å; T186-Q190 PolarHBondContact O-N 3.12Å; T186-Q190 VanDerWaalsContact O-N 3.15Å
187T86.6Confident86.6Confident10 Ų1064.7 Ų64.76%0.06130%0.299CS..Hα-helixtrans-67.7-39.5177.3-57.70000111.4T181 N184 Y185 I189 Q190 H191 Y197T181-T187 WeakPolarHBondContact O-CB 3.32Å; T181-T187 WeakPolarHBondContact O-CG2 3.47Å; T181-T187 PolarHBondContact O-OG1 2.83Å; T181-T187 VanDerWaalsContact O-OG1 3.05Å; N184-T187 PolarHBondContact O-N 2.87Å; N184-T187 VanDerWaalsContact O-N 3.12Å; Y185-T187 PolarHBondContact O-N 2.76Å; T187-I189 VanDerWaalsContact C-N 3.35Å; T187-I189 PolarHBondContact O-N 2.77Å; T187-Q190 PolarHBondContact O-N 2.98Å; T187-H191 WeakPolarHBondContact O-CB 3.33Å; T187-H191 PolarHBondContact O-N 2.9Å; T187-Y197 HydrophobicContact CG2-CD1 4.22Å; T187-Y197 HydrophobicContact CG2-CD2 3.41Å; T187-Y197 VanDerWaalsContact CG2-CD2 3.41Å; T187-Y197 HydrophobicContact CG2-CE2 3.98Å; T187-Y197 HydrophobicContact CG2-CG 3.53Å
188I83.7Confident86.6Confident32 Ų3257.5 Ų57.516%0.16427%0.268CS..Hα-helixtrans-64-39.3175.6-67.4164.7000111L132 N184 Y185 K192 P194L132-I188 HydrophobicContact CD2-CD1 4.17Å; N184-I188 WeakPolarHBondContact O-CG1 3.25Å; N184-I188 PolarHBondContact O-N 3.03Å; Y185-I188 PolarHBondContact O-N 3.02Å; I188-K192 CarbonylContact O-C 3.41Å; I188-K192 WeakPolarHBondContact O-CA 3.3Å; I188-K192 PolarHBondContact O-N 2.98Å; I188-P194 HydrophobicContact CG1-CG 4.4Å
189I85.3Confident86.5Confident99 Ų9958 Ų5851%0.50827%0.27SS..Hα-helixtrans-61.4-45.9174.2-72166.6000111.1Y185 T186 T187Y185-I189 HydrophobicContact CD1-CD1 3.71Å; Y185-I189 HydrophobicContact CE1-CD1 3.21Å; Y185-I189 HydrophobicContact CE1-CG1 4.25Å; Y185-I189 HydrophobicContact CE2-CD1 4.26Å; Y185-I189 HydrophobicContact CG-CD1 4.42Å; Y185-I189 WeakPolarHBondContact O-CG1 3.48Å; Y185-I189 PolarHBondContact O-N 2.81Å; T186-I189 PolarHBondContact O-N 2.86Å; T187-I189 VanDerWaalsContact C-N 3.35Å; T187-I189 PolarHBondContact O-N 2.77Å
190Q87.8Confident86.5Confident146 Ų14661.9 Ų61.968%0.68230%0.295SS*.Hα-helixtrans-69.2-47.7-176.5-71.6174.3-15.700112.6T186 T187T186-Q190 WeakPolarHBondContact O-CG 3.33Å; T186-Q190 PolarHBondContact O-N 3.12Å; T186-Q190 VanDerWaalsContact O-N 3.15Å; T187-Q190 PolarHBondContact O-N 2.98Å
191H84.1Confident86.6Confident44 Ų4458.4 Ų58.420%0.20429%0.285CS..Hα-helixtrans-99.3-1.2-173.5-67.7-89.8000113.7T187 T193 R196 Y197 T200T187-H191 WeakPolarHBondContact O-CB 3.33Å; T187-H191 PolarHBondContact O-N 2.9Å; H191-T193 PolarHBondContact O-N 3.34Å; H191-R196 HydrophobicContact CB-CB 4.49Å; H191-R196 WeakPolarHBondContact O-CB 3.49Å; H191-R196 VanDerWaalsContact O-CD 3.26Å; H191-R196 WeakPolarHBondContact O-CD 3.27Å; H191-Y197 AromaticContact CD2-CD2 3.85Å; H191-Y197 AromaticContact NE2-CD2 3.77Å; H191-T200 PolarHBondContact CE1-OG1 3.08Å
192K81.3Confident86.7Confident152 Ų15257.6 Ų57.666%0.66128%0.279SS*.SBendtrans66.1-37.2-173-55.9-78.6-175.8172.30114.8I188I188-K192 CarbonylContact O-C 3.41Å; I188-K192 WeakPolarHBondContact O-CA 3.3Å; I188-K192 PolarHBondContact O-N 2.98Å
193T81.4Confident86.9Confident11 Ų1164 Ų647%0.06731%0.307CS..SBendtrans-143150.9-177.371.10000112.1H191 S195 R196 Y197 Y262H191-T193 PolarHBondContact O-N 3.34Å; T193-S195 VanDerWaalsContact C-N 3.28Å; T193-S195 PolarHBondContact O-N 2.89Å; T193-R196 PolarHBondContact O-N 2.6Å; T193-R196 VanDerWaalsContact OG1-CB 3.27Å; T193-R196 WeakPolarHBondContact OG1-CB 3.16Å; T193-R196 PolarHBondContact OG1-N 2.86Å; T193-Y197 PolarHBondContact O-N 3.45Å; T193-Y262 HydrophobicContact CG2-CD1 3.54Å; T193-Y262 HydrophobicContact CG2-CE1 3.7Å
194P84.5Confident87.1Confident10 Ų1065.6 Ų65.67%0.06532%0.317CS..Hα-helixtrans-57.3-41.6171.1-2534.6000112.3A182 Y183 I188 R196 Y197 L198A182-P194 HydrophobicContact CB-CB 4.15Å; Y183-P194 HydrophobicContact CD1-CG 4.04Å; Y183-P194 HydrophobicContact CE1-CB 4.49Å; Y183-P194 HydrophobicContact CE1-CG 3.98Å; I188-P194 HydrophobicContact CG1-CG 4.4Å; P194-R196 VanDerWaalsContact C-N 3.31Å; P194-R196 PolarHBondContact O-N 3.18Å; P194-Y197 WeakPolarHBondContact O-CB 3.06Å; P194-Y197 PolarHBondContact O-N 2.68Å; P194-L198 WeakPolarHBondContact O-CG 3.31Å; P194-L198 PolarHBondContact O-N 3.5Å
195S85.8Confident87.3Confident4 Ų462.1 Ų62.13%0.02830%0.298CS..Hα-helixtrans-58.1-40.1178.8-540000112.7T193 L198 I199 P263T193-S195 VanDerWaalsContact C-N 3.28Å; T193-S195 PolarHBondContact O-N 2.89Å; S195-L198 WeakPolarHBondContact O-CB 3.37Å; S195-L198 PolarHBondContact O-N 2.84Å; S195-I199 WeakPolarHBondContact O-CD1 3.12Å; S195-I199 PolarHBondContact O-N 3.29Å; S195-P263 PolarHBondContact OG-O 3.44Å
196R85Confident87.4Confident91 Ų9157.8 Ų57.834%0.34329%0.286SS..Hα-helixtrans-71-37.3178.5-173.7163.5-178.7178.55.5112.3H191 T193 P194 L198 I199 T200H191-R196 HydrophobicContact CB-CB 4.49Å; H191-R196 WeakPolarHBondContact O-CB 3.49Å; H191-R196 VanDerWaalsContact O-CD 3.26Å; H191-R196 WeakPolarHBondContact O-CD 3.27Å; T193-R196 PolarHBondContact O-N 2.6Å; T193-R196 VanDerWaalsContact OG1-CB 3.27Å; T193-R196 WeakPolarHBondContact OG1-CB 3.16Å; T193-R196 PolarHBondContact OG1-N 2.86Å; P194-R196 VanDerWaalsContact C-N 3.31Å; P194-R196 PolarHBondContact O-N 3.18Å; R196-L198 VanDerWaalsContact C-N 3.29Å; R196-L198 PolarHBondContact O-N 3.05Å; R196-I199 PolarHBondContact O-N 3.46Å; R196-T200 PolarHBondContact O-N 3.44Å
197Y88.7Confident87.2Confident33 Ų3355.5 Ų55.513%0.12927%0.27CS..Hα-helixtrans-61.1-38.2171.9167.2-99.4000112.2L178 T181 A182 T187 H191 T193 P194 I199 T200 T201L178-Y197 HydrophobicContact CD1-CE1 3.76Å; L178-Y197 HydrophobicContact CG-CE1 4.46Å; T181-Y197 HydrophobicContact CG2-CE1 4.19Å; T181-Y197 HydrophobicContact CG2-CE2 4.05Å; T181-Y197 VanDerWaalsContact CG2-OH 3.28Å; T181-Y197 WeakPolarHBondContact CG2-OH 2.86Å; A182-Y197 HydrophobicContact CB-CD1 3.53Å; A182-Y197 HydrophobicContact CB-CE1 3.92Å; T187-Y197 HydrophobicContact CG2-CD1 4.22Å; T187-Y197 HydrophobicContact CG2-CD2 3.41Å; T187-Y197 VanDerWaalsContact CG2-CD2 3.41Å; T187-Y197 HydrophobicContact CG2-CE2 3.98Å; T187-Y197 HydrophobicContact CG2-CG 3.53Å; H191-Y197 AromaticContact CD2-CD2 3.85Å; H191-Y197 AromaticContact NE2-CD2 3.77Å; T193-Y197 PolarHBondContact O-N 3.45Å; P194-Y197 WeakPolarHBondContact O-CB 3.06Å; P194-Y197 PolarHBondContact O-N 2.68Å; Y197-I199 VanDerWaalsContact C-N 3.27Å; Y197-I199 PolarHBondContact O-N 3.46Å; Y197-T200 PolarHBondContact O-N 3.19Å; Y197-T200 PolarHBondContact O-OG1 2.91Å; Y197-T201 WeakPolarHBondContact CE2-OG1 3.4Å; Y197-T201 WeakPolarHBondContact O-CB 3.36Å; Y197-T201 PolarHBondContact O-N 3.09Å; Y197-T201 PolarHBondContact O-OG1 3.34Å
198L90.9Very high87.3Confident0 Ų060.4 Ų60.40%030%0.3CS..Hα-helixtrans-61.8-35.6178.9-68.8174.4000112.3L166 L178 P194 S195 R196 T201 L202 I246 I248 W265L166-L198 HydrophobicContact CD1-CB 3.79Å; L178-L198 HydrophobicContact CD1-CD2 4.35Å; L178-L198 HydrophobicContact CD2-CD2 3.71Å; L178-L198 HydrophobicContact CG-CD2 3.95Å; P194-L198 WeakPolarHBondContact O-CG 3.31Å; P194-L198 PolarHBondContact O-N 3.5Å; S195-L198 WeakPolarHBondContact O-CB 3.37Å; S195-L198 PolarHBondContact O-N 2.84Å; R196-L198 VanDerWaalsContact C-N 3.29Å; R196-L198 PolarHBondContact O-N 3.05Å; L198-T201 PolarHBondContact O-N 3.26Å; L198-L202 HydrophobicContact CB-CD1 4.44Å; L198-L202 HydrophobicContact CD2-CD1 4.07Å; L198-L202 WeakPolarHBondContact O-CA 3.45Å; L198-L202 WeakPolarHBondContact O-CB 3.38Å; L198-L202 WeakPolarHBondContact O-CG 3.47Å; L198-L202 PolarHBondContact O-N 2.91Å; L198-I246 HydrophobicContact CD1-CG2 4.14Å; L198-I248 HydrophobicContact CB-CD1 4.49Å; L198-I248 HydrophobicContact CD1-CD1 4.16Å; L198-W265 HydrophobicContact CD1-CB 4.45Å; L198-W265 HydrophobicContact CD1-CD2 3.62Å; L198-W265 HydrophobicContact CD1-CE3 3.74Å; L198-W265 HydrophobicContact CD1-CG 3.96Å; L198-W265 HydrophobicContact CD1-CH2 4.21Å; L198-W265 HydrophobicContact CD1-CZ2 4.17Å; L198-W265 HydrophobicContact CD1-CZ3 4.04Å; L198-W265 HydrophobicContact CD2-CH2 4.09Å; L198-W265 HydrophobicContact CD2-CZ3 4.26Å
199I89.2Confident87.4Confident22 Ų2262 Ų6211%0.11331%0.311CS..Hα-helixtrans-78.1-30.6-178.2-73.2148.7000113.3L166 S195 R196 Y197 T201 P252 Y253L166-I199 HydrophobicContact CD1-CG1 4.14Å; L166-I199 HydrophobicContact CD2-CG1 4.18Å; S195-I199 WeakPolarHBondContact O-CD1 3.12Å; S195-I199 PolarHBondContact O-N 3.29Å; R196-I199 PolarHBondContact O-N 3.46Å; Y197-I199 VanDerWaalsContact C-N 3.27Å; Y197-I199 PolarHBondContact O-N 3.46Å; I199-T201 PolarHBondContact O-N 2.89Å; I199-P252 HydrophobicContact CD1-CB 3.07Å; I199-P252 HydrophobicContact CD1-CG 3.02Å; I199-P252 HydrophobicContact CG1-CB 4.39Å; I199-P252 HydrophobicContact CG1-CG 4.11Å; I199-Y253 HydrophobicContact CG2-CD1 4.35Å; I199-Y253 HydrophobicContact CG2-CE1 3.51Å; I199-Y253 HydrophobicContact CG2-CE2 4.15Å; I199-Y253 VanDerWaalsContact CG2-OH 3.27Å; I199-Y253 WeakPolarHBondContact CG2-OH 3.42Å
200T89Confident87.4Confident90 Ų9057.6 Ų57.655%0.55229%0.289SS*.Hα-helixtrans-70.3-21.517355.40000111.6H191 R196 Y197H191-T200 PolarHBondContact CE1-OG1 3.08Å; R196-T200 PolarHBondContact O-N 3.44Å; Y197-T200 PolarHBondContact O-N 3.19Å; Y197-T200 PolarHBondContact O-OG1 2.91Å
201T89.9Confident87.3Confident71 Ų7154 Ų5444%0.43627%0.274SS..Hα-helixtrans-105.3-35.7-173.1-47.60000112.9L178 Y197 L198 I199L178-T201 HydrophobicContact CD1-CG2 3.82Å; Y197-T201 WeakPolarHBondContact CE2-OG1 3.4Å; Y197-T201 WeakPolarHBondContact O-CB 3.36Å; Y197-T201 PolarHBondContact O-N 3.09Å; Y197-T201 PolarHBondContact O-OG1 3.34Å; L198-T201 PolarHBondContact O-N 3.26Å; I199-T201 PolarHBondContact O-N 2.89Å
202L92.1Very high87.4Confident26 Ų2662.3 Ų62.314%0.13630%0.303CS..SBendtrans-109.3150.9-173.6-58.6178.3000112.1L166 P169 L178 L198 I246L166-L202 HydrophobicContact CB-CB 4.31Å; L166-L202 HydrophobicContact CB-CD1 4.2Å; L166-L202 HydrophobicContact CD1-CB 4.42Å; L166-L202 HydrophobicContact CD1-CD1 4.2Å; P169-L202 HydrophobicContact CG-CD2 4.36Å; L178-L202 HydrophobicContact CD2-CD1 3.83Å; L178-L202 HydrophobicContact CD2-CD2 4Å; L178-L202 HydrophobicContact CD2-CG 4.18Å; L198-L202 HydrophobicContact CB-CD1 4.44Å; L198-L202 HydrophobicContact CD2-CD1 4.07Å; L198-L202 WeakPolarHBondContact O-CA 3.45Å; L198-L202 WeakPolarHBondContact O-CB 3.38Å; L198-L202 WeakPolarHBondContact O-CG 3.47Å; L198-L202 PolarHBondContact O-N 2.91Å; L202-I246 HydrophobicContact CD1-CD1 3.6Å
203K91.2Very high87.6Confident135 Ų13560.3 Ų60.359%0.58730%0.296SS*.  trans-78.4129.5173.3-172.2176.3-179.9-179.50110.3Y167Y167-K203 HydrophobicContact CD2-CB 4.24Å; Y167-K203 HydrophobicContact CD2-CG 4.39Å; Y167-K203 WeakPolarHBondContact CD2-O 3.26Å; Y167-K203 PolarHBondContact N-O 3.43Å
204Q90.9Very high87.7Confident82 Ų8260 Ų6038%0.38329%0.294SS..BIsolated β-bridgetrans-70.9142.3169.6-172.4176.3-6.500111.6T164 W165 L166 N206T164-Q204 HydrophobicContact CG2-CG 4.18Å; W165-Q204 WeakPolarHBondContact O-CG 3.25Å; L166-Q204 HydrophobicContact CD2-CB 3.8Å; L166-Q204 HydrophobicContact CD2-CG 4.12Å; Q204-N206 PolarHBondContact O-N 2.78Å
205V89.9Confident87.6Confident3 Ų370.7 Ų70.72%0.01833%0.333CS..  trans-69.5111.4173-178.70000108.4W165 Y167 F207 L210 L242 L245W165-V205 HydrophobicContact CB-CB 4.02Å; W165-V205 HydrophobicContact CB-CG2 3.97Å; W165-V205 PolarHBondContact O-N 2.76Å; Y167-V205 HydrophobicContact CD1-CG2 4.49Å; Y167-V205 HydrophobicContact CD2-CG2 4.02Å; Y167-V205 HydrophobicContact CE1-CG2 4.32Å; Y167-V205 HydrophobicContact CE2-CB 4.31Å; Y167-V205 HydrophobicContact CE2-CG2 3.81Å; Y167-V205 HydrophobicContact CG-CG2 4.35Å; V205-F207 HydrophobicContact CB-CE2 4.27Å; V205-F207 HydrophobicContact CB-CZ 4.38Å; V205-F207 HydrophobicContact CG1-CD1 4.25Å; V205-F207 HydrophobicContact CG1-CD2 4.3Å; V205-F207 HydrophobicContact CG1-CE1 3.98Å; V205-F207 HydrophobicContact CG1-CE2 4.05Å; V205-F207 HydrophobicContact CG1-CG 4.4Å; V205-F207 HydrophobicContact CG1-CZ 3.88Å; V205-F207 PolarHBondContact O-N 3.34Å; V205-L210 HydrophobicContact CG1-CD2 4.22Å; V205-L242 HydrophobicContact CG1-CD2 3.81Å; V205-L242 HydrophobicContact CG2-CD2 4.02Å; V205-L245 HydrophobicContact CG2-CD2 4.1Å
206N88.9Confident87.5Confident78 Ų7871.1 Ų71.142%0.41734%0.339SS..  trans-89.8101.5173.5-179.2-24.7000109.2Q204 T208 T209 L210Q204-N206 PolarHBondContact O-N 2.78Å; N206-T208 VanDerWaalsContact C-N 3.32Å; N206-T208 PolarHBondContact O-N 3.16Å; N206-T208 WeakPolarHBondContact OD1-CB 3.35Å; N206-T208 PolarHBondContact OD1-N 3.04Å; N206-T209 VanDerWaalsContact CB-OG1 3.25Å; N206-T209 WeakPolarHBondContact CB-OG1 3.35Å; N206-T209 VanDerWaalsContact CG-OG1 3.26Å; N206-T209 PolarHBondContact O-N 2.72Å; N206-T209 PolarHBondContact O-OG1 2.92Å; N206-T209 PolarHBondContact OD1-N 2.93Å; N206-T209 VanDerWaalsContact OD1-N 3.08Å; N206-T209 PolarHBondContact OD1-OG1 2.86Å; N206-L210 WeakPolarHBondContact O-CB 3.48Å; N206-L210 PolarHBondContact O-N 3.09Å
207F86.3Confident87.5Confident26 Ų2670.4 Ų70.411%0.11434%0.336CS..Hα-helixtrans-67.4-30.2-178.6-68.9-82.9000113.3W165 V205 T209 L210 I211 I220 I226W165-F207 HydrophobicContact CB-CE2 4.2Å; W165-F207 HydrophobicContact CB-CZ 4.13Å; W165-F207 AromaticContact CD1-CE2 3.79Å; W165-F207 AromaticContact CD1-CZ 3.63Å; W165-F207 HydrophobicContact CG-CE2 4.26Å; W165-F207 AromaticContact CG-CZ 3.97Å; W165-F207 HydrophobicContact CG-CZ 3.97Å; V205-F207 HydrophobicContact CB-CE2 4.27Å; V205-F207 HydrophobicContact CB-CZ 4.38Å; V205-F207 HydrophobicContact CG1-CD1 4.25Å; V205-F207 HydrophobicContact CG1-CD2 4.3Å; V205-F207 HydrophobicContact CG1-CE1 3.98Å; V205-F207 HydrophobicContact CG1-CE2 4.05Å; V205-F207 HydrophobicContact CG1-CG 4.4Å; V205-F207 HydrophobicContact CG1-CZ 3.88Å; V205-F207 PolarHBondContact O-N 3.34Å; F207-T209 PolarHBondContact O-N 2.84Å; F207-L210 HydrophobicContact CD1-CD2 4.24Å; F207-L210 PolarHBondContact O-N 3.34Å; F207-I211 HydrophobicContact CB-CD1 4.42Å; F207-I211 VanDerWaalsContact O-CB 3.27Å; F207-I211 WeakPolarHBondContact O-CB 3.28Å; F207-I211 VanDerWaalsContact O-CD1 3.31Å; F207-I211 WeakPolarHBondContact O-CD1 3.3Å; F207-I211 WeakPolarHBondContact O-CG1 3.39Å; F207-I211 PolarHBondContact O-N 3Å; F207-I220 HydrophobicContact CB-CD1 3.63Å; F207-I220 HydrophobicContact CB-CG1 4.12Å; F207-I220 HydrophobicContact CD1-CD1 3.7Å; F207-I220 HydrophobicContact CD1-CG1 3.45Å; F207-I220 VanDerWaalsContact CD1-CG1 3.45Å; F207-I220 HydrophobicContact CD2-CD1 3.2Å; F207-I220 HydrophobicContact CD2-CG1 3.93Å; F207-I220 HydrophobicContact CE1-CD1 4.1Å; F207-I220 HydrophobicContact CE1-CG1 3.7Å; F207-I220 HydrophobicContact CE2-CD1 3.65Å; F207-I220 HydrophobicContact CE2-CG1 4.14Å; F207-I220 HydrophobicContact CG-CD1 3.21Å; F207-I220 HydrophobicContact CG-CG1 3.56Å; F207-I220 HydrophobicContact CZ-CD1 4.07Å; F207-I220 HydrophobicContact CZ-CG1 4.03Å; F207-I226 HydrophobicContact CE1-CD1 3.82Å; F207-I226 HydrophobicContact CE1-CG1 3.77Å; F207-I226 HydrophobicContact CE1-CG2 4.14Å; F207-I226 HydrophobicContact CZ-CD1 3.65Å; F207-I226 HydrophobicContact CZ-CG1 3.7Å
208T86.8Confident87.4Confident114 Ų11469.8 Ų69.870%0.69933%0.334SS*.Hα-helixtrans-61.6-46.6175.4-51.40000111N206 R212N206-T208 VanDerWaalsContact C-N 3.32Å; N206-T208 PolarHBondContact O-N 3.16Å; N206-T208 WeakPolarHBondContact OD1-CB 3.35Å; N206-T208 PolarHBondContact OD1-N 3.04Å; T208-R212 WeakPolarHBondContact O-CB 3.44Å; T208-R212 PolarHBondContact O-N 3.15Å
209T86.1Confident87.2Confident64 Ų6477.2 Ų77.239%0.39336%0.362SS..Hα-helixtrans-67.9-41.4175.350.40000111.5N206 F207 R212 E213N206-T209 VanDerWaalsContact CB-OG1 3.25Å; N206-T209 WeakPolarHBondContact CB-OG1 3.35Å; N206-T209 VanDerWaalsContact CG-OG1 3.26Å; N206-T209 PolarHBondContact O-N 2.72Å; N206-T209 PolarHBondContact O-OG1 2.92Å; N206-T209 PolarHBondContact OD1-N 2.93Å; N206-T209 VanDerWaalsContact OD1-N 3.08Å; N206-T209 PolarHBondContact OD1-OG1 2.86Å; F207-T209 PolarHBondContact O-N 2.84Å; T209-R212 PolarHBondContact O-N 3.09Å; T209-E213 WeakPolarHBondContact O-CB 3.4Å; T209-E213 WeakPolarHBondContact O-CG 3.18Å; T209-E213 PolarHBondContact O-N 3.41Å
210L84.9Confident87Confident7 Ų779.3 Ų79.34%0.03737%0.372CS..Hα-helixtrans-63.7-46-178.6-171.868.7000111.9V205 N206 F207 R212 E213 T214 Y218 L242V205-L210 HydrophobicContact CG1-CD2 4.22Å; N206-L210 WeakPolarHBondContact O-CB 3.48Å; N206-L210 PolarHBondContact O-N 3.09Å; F207-L210 HydrophobicContact CD1-CD2 4.24Å; F207-L210 PolarHBondContact O-N 3.34Å; L210-R212 VanDerWaalsContact C-N 3.32Å; L210-R212 PolarHBondContact O-N 2.93Å; L210-E213 PolarHBondContact O-N 2.64Å; L210-T214 HydrophobicContact CD1-CG2 4.01Å; L210-T214 HydrophobicContact CG-CG2 4.44Å; L210-T214 VanDerWaalsContact O-CB 3.28Å; L210-T214 WeakPolarHBondContact O-CB 3.48Å; L210-T214 VanDerWaalsContact O-CG2 3.26Å; L210-T214 WeakPolarHBondContact O-CG2 3.31Å; L210-T214 PolarHBondContact O-N 3.25Å; L210-T214 PolarHBondContact O-OG1 3.03Å; L210-Y218 HydrophobicContact CD1-CD2 3.98Å; L210-Y218 HydrophobicContact CD1-CE2 4.29Å; L210-Y218 HydrophobicContact CD2-CD1 4.21Å; L210-Y218 HydrophobicContact CD2-CD2 3.94Å; L210-Y218 HydrophobicContact CD2-CG 3.64Å; L210-Y218 HydrophobicContact CG-CD2 3.78Å; L210-Y218 HydrophobicContact CG-CG 3.98Å; L210-L242 HydrophobicContact CD2-CD1 3.7Å; L210-L242 HydrophobicContact CD2-CD2 4.15Å; L210-L242 HydrophobicContact CD2-CG 4.06Å
211I86.8Confident86.6Confident72 Ų7276.8 Ų76.837%0.36936%0.356SS..Hα-helixtrans-57.9-45.6175.6-71.4161.2000110.2F207 R215 G216 Y218F207-I211 HydrophobicContact CB-CD1 4.42Å; F207-I211 VanDerWaalsContact O-CB 3.27Å; F207-I211 WeakPolarHBondContact O-CB 3.28Å; F207-I211 VanDerWaalsContact O-CD1 3.31Å; F207-I211 WeakPolarHBondContact O-CD1 3.3Å; F207-I211 WeakPolarHBondContact O-CG1 3.39Å; F207-I211 PolarHBondContact O-N 3Å; I211-R215 PolarHBondContact O-N 2.83Å; I211-R215 VanDerWaalsContact O-N 3.08Å; I211-G216 PolarHBondContact O-N 3.02Å; I211-Y218 VanDerWaalsContact CG1-O 3.23Å; I211-Y218 WeakPolarHBondContact CG1-O 3.38Å
212R85.4Confident86.1Confident218 Ų21879.8 Ų79.882%0.82338%0.376SS*.Hα-helixtrans-64.8-48.2-179.5-173.2178.5-179.4178.70.5112.3T208 T209 L210 T214T208-R212 WeakPolarHBondContact O-CB 3.44Å; T208-R212 PolarHBondContact O-N 3.15Å; T209-R212 PolarHBondContact O-N 3.09Å; L210-R212 VanDerWaalsContact C-N 3.32Å; L210-R212 PolarHBondContact O-N 2.93Å; R212-T214 VanDerWaalsContact C-N 3.33Å; R212-T214 PolarHBondContact O-N 2.89Å
213E85.4Confident85.4Confident110 Ų11081.2 Ų81.251%0.51439%0.392SS..Hα-helixtrans-68.4-34.5-178.2-72.9178.1-166.700112.2T209 L210 H239T209-E213 WeakPolarHBondContact O-CB 3.4Å; T209-E213 WeakPolarHBondContact O-CG 3.18Å; T209-E213 PolarHBondContact O-N 3.41Å; L210-E213 PolarHBondContact O-N 2.64Å; E213-H239 IonicContact OE2-ND1 3.99Å
214T83.5Confident84.9Confident3 Ų380.3 Ų80.32%0.01839%0.386CS..Hα-helixtrans-97.35.3-174.267.50000113.4L210 R212 G216 R217 Y218L210-T214 HydrophobicContact CD1-CG2 4.01Å; L210-T214 HydrophobicContact CG-CG2 4.44Å; L210-T214 VanDerWaalsContact O-CB 3.28Å; L210-T214 WeakPolarHBondContact O-CB 3.48Å; L210-T214 VanDerWaalsContact O-CG2 3.26Å; L210-T214 WeakPolarHBondContact O-CG2 3.31Å; L210-T214 PolarHBondContact O-N 3.25Å; L210-T214 PolarHBondContact O-OG1 3.03Å; R212-T214 VanDerWaalsContact C-N 3.33Å; R212-T214 PolarHBondContact O-N 2.89Å; T214-G216 VanDerWaalsContact C-N 3.27Å; T214-G216 PolarHBondContact O-N 2.86Å; T214-R217 VanDerWaalsContact O-CG 3.32Å; T214-R217 WeakPolarHBondContact O-CG 3.29Å; T214-R217 PolarHBondContact O-N 3.49Å; T214-R217 PolarHBondContact O-NE 2.84Å; T214-Y218 HydrophobicContact CG2-CD2 3.64Å; T214-Y218 HydrophobicContact CG2-CE2 3.73Å; T214-Y218 WeakPolarHBondContact OG1-CD2 3.4Å
215R83.6Confident84.6Confident235 Ų23577.7 Ų77.789%0.88737%0.374SS*.THydrogen-bonded Turntrans5638.9-176.9-57.1-179.1178.3178-1.9112.9I211I211-R215 PolarHBondContact O-N 2.83Å; I211-R215 VanDerWaalsContact O-N 3.08Å
216G82.8Confident84.3Confident14 Ų1477.5 Ų77.514%0.14437%0.373CS..THydrogen-bonded Turntrans77.218.3176.600000115.5I211 T214 Y218 R219I211-G216 PolarHBondContact O-N 3.02Å; T214-G216 VanDerWaalsContact C-N 3.27Å; T214-G216 PolarHBondContact O-N 2.86Å; G216-Y218 VanDerWaalsContact C-N 3.29Å; G216-R219 PolarHBondContact O-NE 2.85Å
217R84.8Confident84.2Confident75 Ų7576.7 Ų76.728%0.28337%0.368SS..SBendtrans-65.5-31.7171.3-78.5-178.4-77.7173.9-1.1112.8T214 A229T214-R217 VanDerWaalsContact O-CG 3.32Å; T214-R217 WeakPolarHBondContact O-CG 3.29Å; T214-R217 PolarHBondContact O-N 3.49Å; T214-R217 PolarHBondContact O-NE 2.84Å; R217-A229 WeakPolarHBondContact O-CB 3.11Å; R217-A229 PolarHBondContact O-N 3.01Å
218Y87.6Confident84.2Confident21 Ų2175.7 Ų75.78%0.08236%0.364CS..EExtended strand (participates in β ladder)trans-103.3137.6171.2-62.3-83.9000109.6L210 I211 T214 G216 I226 I227 V228 L242L210-Y218 HydrophobicContact CD1-CD2 3.98Å; L210-Y218 HydrophobicContact CD1-CE2 4.29Å; L210-Y218 HydrophobicContact CD2-CD1 4.21Å; L210-Y218 HydrophobicContact CD2-CD2 3.94Å; L210-Y218 HydrophobicContact CD2-CG 3.64Å; L210-Y218 HydrophobicContact CG-CD2 3.78Å; L210-Y218 HydrophobicContact CG-CG 3.98Å; I211-Y218 VanDerWaalsContact CG1-O 3.23Å; I211-Y218 WeakPolarHBondContact CG1-O 3.38Å; T214-Y218 HydrophobicContact CG2-CD2 3.64Å; T214-Y218 HydrophobicContact CG2-CE2 3.73Å; T214-Y218 WeakPolarHBondContact OG1-CD2 3.4Å; G216-Y218 VanDerWaalsContact C-N 3.29Å; Y218-I226 HydrophobicContact CD1-CG2 4.38Å; Y218-I227 CarbonylContact C-O 3.59Å; Y218-I227 WeakPolarHBondContact CA-O 3.23Å; Y218-V228 HydrophobicContact CD1-CB 4.36Å; Y218-V228 HydrophobicContact CD1-CG1 4.16Å; Y218-V228 HydrophobicContact CD1-CG2 3.84Å; Y218-V228 HydrophobicContact CE1-CB 4.27Å; Y218-V228 HydrophobicContact CE1-CG1 3.7Å; Y218-V228 HydrophobicContact CE1-CG2 3.76Å; Y218-L242 HydrophobicContact CD1-CD1 3.58Å; Y218-L242 HydrophobicContact CD1-CG 4.26Å; Y218-L242 HydrophobicContact CE1-CB 4.21Å; Y218-L242 HydrophobicContact CE1-CD1 3.76Å; Y218-L242 HydrophobicContact CE1-CG 3.99Å; Y218-L242 HydrophobicContact CG-CD1 4.32Å
219R86.2Confident84Confident156 Ų15673 Ų7359%0.58935%0.353SS*.EExtended strand (participates in β ladder)trans-140.3164176.1-60.1-177.8-175.6-175.9-2.8109.6G216 I227G216-R219 PolarHBondContact O-NE 2.85Å; R219-I227 HydrophobicContact CB-CB 4.36Å; R219-I227 PolarHBondContact N-O 2.91Å; R219-I227 PolarHBondContact O-N 3.21Å
220I85.2Confident83.8Confident66 Ų6674.1 Ų74.134%0.33835%0.354SS..EExtended strand (participates in β ladder)trans-112.5136.2171.3-52.5174.9000107.6F207 Y224 N225F207-I220 HydrophobicContact CB-CD1 3.63Å; F207-I220 HydrophobicContact CB-CG1 4.12Å; F207-I220 HydrophobicContact CD1-CD1 3.7Å; F207-I220 HydrophobicContact CD1-CG1 3.45Å; F207-I220 VanDerWaalsContact CD1-CG1 3.45Å; F207-I220 HydrophobicContact CD2-CD1 3.2Å; F207-I220 HydrophobicContact CD2-CG1 3.93Å; F207-I220 HydrophobicContact CE1-CD1 4.1Å; F207-I220 HydrophobicContact CE1-CG1 3.7Å; F207-I220 HydrophobicContact CE2-CD1 3.65Å; F207-I220 HydrophobicContact CE2-CG1 4.14Å; F207-I220 HydrophobicContact CG-CD1 3.21Å; F207-I220 HydrophobicContact CG-CG1 3.56Å; F207-I220 HydrophobicContact CZ-CD1 4.07Å; F207-I220 HydrophobicContact CZ-CG1 4.03Å; I220-Y224 HydrophobicContact CG2-CD1 4.42Å; I220-N225 WeakPolarHBondContact CA-O 3.27Å
221D81.4Confident83.6Confident37 Ų3774 Ų7420%0.19835%0.354CS..  trans-82.7170.1172.880.5-3.9000111.7A223 Y224 N225 I227D221-A223 PolarHBondContact O-N 3.3Å; D221-A223 VanDerWaalsContact O-N 3.12Å; D221-A223 VanDerWaalsContact OD1-CA 3.28Å; D221-A223 WeakPolarHBondContact OD1-CA 3.36Å; D221-A223 PolarHBondContact OD1-N 3.35Å; D221-Y224 PolarHBondContact O-N 3.39Å; D221-Y224 PolarHBondContact OD1-N 3.33Å; D221-N225 PolarHBondContact N-O 3.01Å; D221-N225 WeakPolarHBondContact OD1-CB 3.37Å; D221-N225 PolarHBondContact OD1-N 3.32Å; D221-N225 WeakPolarHBondContact OD2-CB 3.37Å; D221-N225 PolarHBondContact OD2-ND2 2.75Å; D221-I227 HydrophobicContact CB-CD1 3.77Å; D221-I227 HydrophobicContact CB-CG1 4.25Å
222P77.8Confident83.3Confident133 Ų13371.8 Ų71.886%0.86434%0.342SS*.THydrogen-bonded Turntrans-60.8-19.6176.6-24.935.7000114.6Y224P222-Y224 VanDerWaalsContact C-N 3.33Å
223A77.4Confident82.9Confident57 Ų5762.4 Ų62.447%0.47131%0.31SS..THydrogen-bonded Turntrans-91.99.5176.900000113D221 N225D221-A223 PolarHBondContact O-N 3.3Å; D221-A223 VanDerWaalsContact O-N 3.12Å; D221-A223 VanDerWaalsContact OD1-CA 3.28Å; D221-A223 WeakPolarHBondContact OD1-CA 3.36Å; D221-A223 PolarHBondContact OD1-N 3.35Å; A223-N225 PolarHBondContact O-N 3.21Å
224Y81Confident81.9Confident116 Ų11661.7 Ų61.746%0.45531%0.313SS..SBendtrans65.216.3-178.7-60.7-93.1000116P162 W165 I220 D221 P222P162-Y224 HydrophobicContact CB-CD1 3.9Å; P162-Y224 HydrophobicContact CB-CD2 3.99Å; P162-Y224 HydrophobicContact CB-CE1 3.72Å; P162-Y224 HydrophobicContact CB-CE2 3.83Å; P162-Y224 HydrophobicContact CB-CG 4.03Å; W165-Y224 PolarHBondContact NE1-O 3.34Å; I220-Y224 HydrophobicContact CG2-CD1 4.42Å; D221-Y224 PolarHBondContact O-N 3.39Å; D221-Y224 PolarHBondContact OD1-N 3.33Å; P222-Y224 VanDerWaalsContact C-N 3.33Å
225N84.5Confident80.7Confident26 Ų2671 Ų7114%0.13935%0.353CS..PPolyproline II helixtrans-76.4153.5167.8-52.3-59.1000110.6I150 I151 T152 I220 D221 A223I150-N225 HydrophobicContact CG2-CB 4.22Å; I151-N225 WeakPolarHBondContact O-CB 3.17Å; T152-N225 WeakPolarHBondContact CA-OD1 3.44Å; T152-N225 HydrophobicContact CG2-CB 4.3Å; I220-N225 WeakPolarHBondContact CA-O 3.27Å; D221-N225 PolarHBondContact N-O 3.01Å; D221-N225 WeakPolarHBondContact OD1-CB 3.37Å; D221-N225 PolarHBondContact OD1-N 3.32Å; D221-N225 WeakPolarHBondContact OD2-CB 3.37Å; D221-N225 PolarHBondContact OD2-ND2 2.75Å; A223-N225 PolarHBondContact O-N 3.21Å
226I84.4Confident79.2Confident0 Ų067 Ų670%034%0.342CS..EExtended strand (participates in β ladder)trans-92.8124.6179.1-50.4179.1000108.9I150 I151 W165 F207 Y218 V228 L242 L245I150-I226 CarbonylContact C-O 3.56Å; I150-I226 WeakPolarHBondContact CA-O 3.32Å; I151-I226 HydrophobicContact CB-CB 4.1Å; I151-I226 HydrophobicContact CD1-CB 4.09Å; I151-I226 HydrophobicContact CD1-CD1 4.49Å; I151-I226 HydrophobicContact CD1-CG2 4.15Å; I151-I226 HydrophobicContact CG1-CB 4.42Å; I151-I226 PolarHBondContact N-O 3.08Å; I151-I226 PolarHBondContact O-N 3.38Å; W165-I226 HydrophobicContact CB-CD1 4.5Å; W165-I226 HydrophobicContact CD2-CD1 3.59Å; W165-I226 HydrophobicContact CD2-CG1 4.04Å; W165-I226 HydrophobicContact CE3-CD1 3.87Å; W165-I226 HydrophobicContact CG-CD1 3.87Å; W165-I226 HydrophobicContact CG-CG1 4.35Å; W165-I226 HydrophobicContact CZ2-CD1 4.28Å; W165-I226 HydrophobicContact CZ2-CG1 4.02Å; W165-I226 HydrophobicContact CZ3-CD1 4.3Å; F207-I226 HydrophobicContact CE1-CD1 3.82Å; F207-I226 HydrophobicContact CE1-CG1 3.77Å; F207-I226 HydrophobicContact CE1-CG2 4.14Å; F207-I226 HydrophobicContact CZ-CD1 3.65Å; F207-I226 HydrophobicContact CZ-CG1 3.7Å; Y218-I226 HydrophobicContact CD1-CG2 4.38Å; I226-V228 HydrophobicContact CG2-CG2 4.31Å; I226-L242 HydrophobicContact CD1-CD1 3.93Å; I226-L242 HydrophobicContact CG2-CD1 3.84Å; I226-L245 HydrophobicContact CD1-CD1 3.87Å
227I85.8Confident77.8Confident60 Ų6068.5 Ų68.531%0.30835%0.349SS..EExtended strand (participates in β ladder)trans-98.9122170.9-58.3171.7000108.3I150 Y218 R219 D221I150-I227 HydrophobicContact CG1-CG1 4.45Å; Y218-I227 CarbonylContact C-O 3.59Å; Y218-I227 WeakPolarHBondContact CA-O 3.23Å; R219-I227 HydrophobicContact CB-CB 4.36Å; R219-I227 PolarHBondContact N-O 2.91Å; R219-I227 PolarHBondContact O-N 3.21Å; D221-I227 HydrophobicContact CB-CD1 3.77Å; D221-I227 HydrophobicContact CB-CG1 4.25Å
228V86.6Confident76.2Confident5 Ų575.3 Ų75.33%0.0338%0.38CS..EExtended strand (participates in β ladder)trans-105.6117.3173.6-171.30000107.9P148 L149 I151 Y218 I226 T231P148-V228 CarbonylContact C-O 3.45Å; P148-V228 VanDerWaalsContact CA-O 3.27Å; P148-V228 WeakPolarHBondContact CA-O 3.4Å; L149-V228 HydrophobicContact CB-CB 4.17Å; L149-V228 HydrophobicContact CB-CG2 4.46Å; L149-V228 PolarHBondContact N-O 3.38Å; L149-V228 WeakPolarHBondContact O-CB 3.17Å; L149-V228 PolarHBondContact O-N 2.72Å; I151-V228 HydrophobicContact CD1-CG2 3.73Å; I151-V228 HydrophobicContact CG1-CG2 4.22Å; Y218-V228 HydrophobicContact CD1-CB 4.36Å; Y218-V228 HydrophobicContact CD1-CG1 4.16Å; Y218-V228 HydrophobicContact CD1-CG2 3.84Å; Y218-V228 HydrophobicContact CE1-CB 4.27Å; Y218-V228 HydrophobicContact CE1-CG1 3.7Å; Y218-V228 HydrophobicContact CE1-CG2 3.76Å; I226-V228 HydrophobicContact CG2-CG2 4.31Å; V228-T231 HydrophobicContact CG1-CG2 4Å
229A83.8Confident74.7Confident57 Ų5778 Ų7847%0.47139%0.394SS..SBendtrans-71.6-37.7-179.100000112.7R217R217-A229 WeakPolarHBondContact O-CB 3.11Å; R217-A229 PolarHBondContact O-N 3.01Å
230E80.8Confident73.4Confident89 Ų8977.5 Ų77.542%0.41640%0.396SS..SBendtrans-147.9123.1178.8-169.7-172.4-17900109
231T81.9Confident72.6Confident5 Ų575.5 Ų75.53%0.03139%0.385CS..  trans-82.3137.6174.956.50000110.8V143 N144 G146 E147 L149 V228V143-T231 HydrophobicContact CG1-CG2 3.77Å; V143-T231 HydrophobicContact CG2-CG2 4.02Å; N144-T231 PolarHBondContact O-OG1 2.75Å; G146-T231 PolarHBondContact N-O 3.4Å; E147-T231 WeakPolarHBondContact O-CG2 3.48Å; E147-T231 PolarHBondContact O-N 3.35Å; E147-T231 VanDerWaalsContact O-N 3.09Å; E147-T231 PolarHBondContact O-OG1 3.47Å; E147-T231 VanDerWaalsContact O-OG1 3.08Å; L149-T231 HydrophobicContact CB-CG2 3.87Å; L149-T231 HydrophobicContact CD2-CG2 4.37Å; V228-T231 HydrophobicContact CG1-CG2 4Å
232I80.6Confident72.5Confident25 Ų2574 Ų7413%0.12838%0.377CS..  trans-126.9140.2-176.9-59.1173.6000108.2T237 H243I232-T237 HydrophobicContact CG2-CG2 3.87Å; I232-H243 PolarHBondContact O-CE1 2.93Å
233S75.1Confident72.8Confident21 Ų2168.9 Ų68.915%0.14734%0.341CS..  trans-76.3136.1177.6-176.20000111.3K235 K236S233-K235 PolarHBondContact O-N 2.84Å; S233-K236 PolarHBondContact O-N 2.84Å
234V65.9Low73.3Confident95 Ų9567.4 Ų67.458%0.57633%0.326SS*.G310 helixtrans-40.2-33.4-177.5-179.70000114.4K236 H243V234-K236 PolarHBondContact O-N 2.76Å; V234-H243 VanDerWaalsContact CG2-NE2 3.34Å; V234-H243 WeakPolarHBondContact CG2-NE2 3.34Å
235K57.8Low73.9Confident198 Ų19861.9 Ų61.986%0.86130%0.304SS*.G310 helixtrans-66.4-5.3-171.3-69.9-173178.9179.50115S233S233-K235 PolarHBondContact O-N 2.84Å
236K51.9Low74.2Confident150 Ų15060.7 Ų60.765%0.65230%0.297SS*.G310 helixtrans-126.1-3.2-168.5-74.2-171.5179.1179.30117.8S233 V234S233-K236 PolarHBondContact O-N 2.84Å; V234-K236 PolarHBondContact O-N 2.76Å
237T53.1Low74.5Confident46 Ų4660.7 Ų60.728%0.28230%0.297SS..  trans-122.9142.2-171.564.90000113.9I232 H239 E241I232-T237 HydrophobicContact CG2-CG2 3.87Å; T237-H239 PolarHBondContact O-N 2.83Å; T237-E241 WeakPolarHBondContact CB-OE1 3.4Å; T237-E241 WeakPolarHBondContact CG2-OE1 3.43Å; T237-E241 PolarHBondContact OG1-OE1 2.84Å
238K52Low74.5Confident218 Ų21857.8 Ų57.895%0.94828%0.283SS*.SBendtrans-76.3-2.2169.1-69.1-176.2177.1-1780112.4
239H54.8Low74.4Confident79 Ų7958.5 Ų58.537%0.36629%0.286SS..SBendtrans-98.7142.6-172.1-61.3-66.2000110E213 T237 E241E213-H239 IonicContact OE2-ND1 3.99Å; T237-H239 PolarHBondContact O-N 2.83Å; H239-E241 VanDerWaalsContact C-N 3.3Å; H239-E241 PolarHBondContact O-N 2.79Å
240K59.3Low74.2Confident145 Ų14555.9 Ų55.963%0.6326%0.264SS*.  trans-69.290.6172.1-75.9-169.4175.2-164.40108.9Y167Y167-K240 HydrophobicContact CE1-CB 4.35Å
241E68.8Low73.9Confident24 Ų2455 Ų5511%0.11226%0.262CS..  trans-67.6148.7176.1-72.6175.7173.300110.9T237 H239 H243T237-E241 WeakPolarHBondContact CB-OE1 3.4Å; T237-E241 WeakPolarHBondContact CG2-OE1 3.43Å; T237-E241 PolarHBondContact OG1-OE1 2.84Å; H239-E241 VanDerWaalsContact C-N 3.3Å; H239-E241 PolarHBondContact O-N 2.79Å; E241-H243 WeakPolarHBondContact CB-CD2 3.44Å; E241-H243 WeakPolarHBondContact CB-NE2 3.43Å; E241-H243 PolarHBondContact O-N 3.05Å; E241-H243 IonicContact OE2-CD2 3.77Å; E241-H243 IonicContact OE2-CE1 3.46Å; E241-H243 PolarHBondContact OE2-CE1 2.78Å; E241-H243 IonicContact OE2-NE2 2.68Å; E241-H243 PolarHBondContact OE2-NE2 3.28Å
242L79.6Confident73.4Confident5 Ų554.8 Ų54.83%0.02626%0.261CS..SBendtrans-82.463.4-178.4-61.8-178000110.9Y167 V205 L210 Y218 I226 L245 I271Y167-L242 HydrophobicContact CE1-CD2 3.68Å; V205-L242 HydrophobicContact CG1-CD2 3.81Å; V205-L242 HydrophobicContact CG2-CD2 4.02Å; L210-L242 HydrophobicContact CD2-CD1 3.7Å; L210-L242 HydrophobicContact CD2-CD2 4.15Å; L210-L242 HydrophobicContact CD2-CG 4.06Å; Y218-L242 HydrophobicContact CD1-CD1 3.58Å; Y218-L242 HydrophobicContact CD1-CG 4.26Å; Y218-L242 HydrophobicContact CE1-CB 4.21Å; Y218-L242 HydrophobicContact CE1-CD1 3.76Å; Y218-L242 HydrophobicContact CE1-CG 3.99Å; Y218-L242 HydrophobicContact CG-CD1 4.32Å; I226-L242 HydrophobicContact CD1-CD1 3.93Å; I226-L242 HydrophobicContact CG2-CD1 3.84Å; L242-L245 HydrophobicContact CB-CD1 4.15Å; L242-L245 HydrophobicContact CB-CD2 4.09Å; L242-L245 HydrophobicContact CB-CG 4.4Å; L242-L245 HydrophobicContact CD2-CD2 3.77Å; L242-L245 HydrophobicContact CG-CD2 4.44Å; L242-I271 VanDerWaalsContact O-CD1 3.29Å; L242-I271 WeakPolarHBondContact O-CD1 3.2Å
243H83.2Confident73.1Confident26 Ų2660.1 Ų60.112%0.1228%0.28CS..SBendtrans-84.9-41.6178.6-66.5-62.5000112.5I232 V234 E241 Y270 I271I232-H243 PolarHBondContact O-CE1 2.93Å; V234-H243 VanDerWaalsContact CG2-NE2 3.34Å; V234-H243 WeakPolarHBondContact CG2-NE2 3.34Å; E241-H243 WeakPolarHBondContact CB-CD2 3.44Å; E241-H243 WeakPolarHBondContact CB-NE2 3.43Å; E241-H243 PolarHBondContact O-N 3.05Å; E241-H243 IonicContact OE2-CD2 3.77Å; E241-H243 IonicContact OE2-CE1 3.46Å; E241-H243 PolarHBondContact OE2-CE1 2.78Å; E241-H243 IonicContact OE2-NE2 2.68Å; E241-H243 PolarHBondContact OE2-NE2 3.28Å; H243-Y270 CarbonylContact O-C 3.59Å; H243-Y270 WeakPolarHBondContact O-CA 3.37Å; H243-I271 PolarHBondContact O-N 2.85Å
244N89.5Confident72.8Confident26 Ų2660.5 Ų60.514%0.13928%0.283CS..EExtended strand (participates in β ladder)trans-121.8113.5-174.7-60.8-34.8000109A168 D170 Y270A168-N244 HydrophobicContact CB-CB 3.98Å; A168-N244 PolarHBondContact N-O 2.98Å; D170-N244 WeakPolarHBondContact CA-ND2 3.38Å; D170-N244 PolarHBondContact OD1-ND2 2.76Å; N244-Y270 VanDerWaalsContact OD1-CD1 3.22Å; N244-Y270 WeakPolarHBondContact OD1-CD1 3.49Å
245L91.9Very high72.6Confident0 Ų060.7 Ų60.70%028%0.28CS..EExtended strand (participates in β ladder)trans-128.7146.1-172.5-60.3175000111.3I151 W165 L166 V205 I226 L242 I268 I269I151-L245 HydrophobicContact CD1-CD1 4.03Å; I151-L245 HydrophobicContact CG2-CD1 4.27Å; W165-L245 HydrophobicContact CE3-CB 4.06Å; W165-L245 HydrophobicContact CE3-CD1 3.97Å; W165-L245 HydrophobicContact CZ3-CB 4.16Å; W165-L245 HydrophobicContact CZ3-CD1 3.96Å; L166-L245 WeakPolarHBondContact O-CA 3.45Å; V205-L245 HydrophobicContact CG2-CD2 4.1Å; I226-L245 HydrophobicContact CD1-CD1 3.87Å; L242-L245 HydrophobicContact CB-CD1 4.15Å; L242-L245 HydrophobicContact CB-CD2 4.09Å; L242-L245 HydrophobicContact CB-CG 4.4Å; L242-L245 HydrophobicContact CD2-CD2 3.77Å; L242-L245 HydrophobicContact CG-CD2 4.44Å; L245-I268 CarbonylContact O-C 3.57Å; L245-I268 WeakPolarHBondContact O-CA 3.28Å; L245-I269 HydrophobicContact CB-CB 4.44Å; L245-I269 PolarHBondContact N-O 3.43Å; L245-I269 PolarHBondContact O-N 2.96Å
246I92.1Very high72.6Confident0 Ų052.8 Ų52.80%025%0.249CC..EExtended strand (participates in β ladder)trans-114.5134.6165.7-73.8165.7000107.5W165 L166 A168 L175 L178 L198 L202 I248 W265 I268W165-I246 WeakPolarHBondContact CA-O 3.2Å; L166-I246 HydrophobicContact CB-CB 4.23Å; L166-I246 HydrophobicContact CD1-CG2 4.44Å; L166-I246 PolarHBondContact N-O 2.82Å; L166-I246 PolarHBondContact O-N 3.2Å; A168-I246 HydrophobicContact CB-CD1 3.86Å; A168-I246 HydrophobicContact CB-CG1 3.77Å; L175-I246 HydrophobicContact CD1-CD1 4.12Å; L178-I246 HydrophobicContact CD2-CD1 4.21Å; L198-I246 HydrophobicContact CD1-CG2 4.14Å; L202-I246 HydrophobicContact CD1-CD1 3.6Å; I246-I248 HydrophobicContact CG2-CG1 4.4Å; I246-W265 HydrophobicContact CD1-CZ2 3.97Å; I246-W265 HydrophobicContact CG1-CZ2 4.26Å; I246-W265 HydrophobicContact CG2-CZ2 4.39Å; I246-W265 VanDerWaalsContact CG2-NE1 3.35Å; I246-I268 HydrophobicContact CG1-CG1 4.21Å; I246-I268 HydrophobicContact CG1-CG2 4.43Å
247C89.6Confident72.7Confident0 Ų052 Ų520%025%0.252CS..EExtended strand (participates in β ladder)trans-120.1136.4176.870.60000111.6C153 I163 T164 W165 S266 G267C153-C247 VanDerWaalsContact CA-SG 3.57Å; C153-C247 HydrophobicContact CB-CB 3.67Å; C153-C247 WeakPolarHBondContact CB-SG 3.4Å; C153-C247 WeakPolarHBondContact SG-CB 3.34Å; C153-C247 CovalentContact SG-SG 2.04Å; C153-C247 PolarHBondContact SG-SG 3.02Å; I163-C247 HydrophobicContact CG2-CB 3.95Å; T164-C247 WeakPolarHBondContact O-CA 3.17Å; W165-C247 HydrophobicContact CD2-CB 4.19Å; W165-C247 HydrophobicContact CE3-CB 3.71Å; W165-C247 HydrophobicContact CH2-CB 3.93Å; W165-C247 HydrophobicContact CZ2-CB 4.38Å; W165-C247 HydrophobicContact CZ3-CB 3.6Å; C247-S266 PolarHBondContact O-N 3.09Å; C247-S266 VanDerWaalsContact O-N 3.09Å; C247-G267 PolarHBondContact N-O 3.31Å; C247-G267 PolarHBondContact O-N 2.04Å
248I87.5Confident72.8Confident0 Ų054 Ų540%028%0.281CS..EExtended strand (participates in β ladder)trans-123.3125.6179.7-56.8171.5000107.5I163 T164 L166 L198 I246 P252 P263 D264I163-I248 WeakPolarHBondContact CA-O 3.29Å; T164-I248 PolarHBondContact N-O 3.29Å; T164-I248 PolarHBondContact O-N 2.61Å; L166-I248 HydrophobicContact CD1-CD1 3.74Å; L198-I248 HydrophobicContact CB-CD1 4.49Å; L198-I248 HydrophobicContact CD1-CD1 4.16Å; I246-I248 HydrophobicContact CG2-CG1 4.4Å; I248-P252 HydrophobicContact CD1-CB 4.22Å; I248-P252 HydrophobicContact CG2-CB 4.08Å; I248-P263 HydrophobicContact CG2-CB 3.96Å; I248-D264 WeakPolarHBondContact CA-O 3.33Å
249H83.6Confident72.7Confident20 Ų2049.3 Ų49.39%0.09328%0.276CS..EExtended strand (participates in β ladder)trans-81.1121.7170.3-75.1-56.5000108.3P154 P263 D264 S266P154-H249 PolarHBondContact O-NE2 2.93Å; H249-P263 CarbonylContact O-C 3.54Å; H249-P263 WeakPolarHBondContact O-CA 3.41Å; H249-D264 PolarHBondContact N-O 3.07Å; H249-D264 PolarHBondContact O-N 3.15Å; H249-S266 VanDerWaalsContact CD2-CB 3.45Å; H249-S266 WeakPolarHBondContact CD2-CB 3.16Å; H249-S266 PolarHBondContact CD2-OG 2.99Å
250G78.6Confident72.7Confident2 Ų248.7 Ų48.72%0.02128%0.275CS..SBendtrans123163-173.300000113.2K161 P162 T164 P252K161-G250 VanDerWaalsContact CB-CA 3.48Å; P162-G250 CarbonylContact O-C 3.57Å; P162-G250 PolarHBondContact O-N 2.9Å; T164-G250 PolarHBondContact OG1-O 3.38Å; G250-P252 WeakPolarHBondContact O-CD 3.39Å
251D75.9Confident72.6Confident69 Ų6945.1 Ų45.137%0.36926%0.262SS..  trans-77.5114153.9175.712.5000107.9Y253 S254D251-Y253 VanDerWaalsContact C-N 3.27Å; D251-Y253 PolarHBondContact O-N 3.46Å; D251-Y253 WeakPolarHBondContact OD1-CB 3.29Å; D251-Y253 WeakPolarHBondContact OD1-CD2 3.27Å; D251-Y253 PolarHBondContact OD1-N 2.96Å; D251-S254 VanDerWaalsContact O-CB 3.3Å; D251-S254 WeakPolarHBondContact O-CB 3.5Å; D251-S254 PolarHBondContact O-N 2.89Å; D251-S254 VanDerWaalsContact O-N 3.15Å; D251-S254 PolarHBondContact O-OG 3.43Å
252P71.3Confident72.6Confident1 Ų150.9 Ų50.91%0.00628%0.284CS..THydrogen-bonded Turntrans-83-4.7-17739.1-42.9000114.1T164 I199 I248 G250 P263T164-P252 HydrophobicContact CG2-CG 3.81Å; T164-P252 WeakPolarHBondContact OG1-CD 3.4Å; I199-P252 HydrophobicContact CD1-CB 3.07Å; I199-P252 HydrophobicContact CD1-CG 3.02Å; I199-P252 HydrophobicContact CG1-CB 4.39Å; I199-P252 HydrophobicContact CG1-CG 4.11Å; I248-P252 HydrophobicContact CD1-CB 4.22Å; I248-P252 HydrophobicContact CG2-CB 4.08Å; G250-P252 WeakPolarHBondContact O-CD 3.39Å; P252-P263 HydrophobicContact CB-CB 4.13Å
253Y74Confident72.2Confident138 Ų13851 Ų5154%0.54129%0.285SS..THydrogen-bonded Turntrans-81.3-18163.5-64-83.6000112.4I199 D251 I255I199-Y253 HydrophobicContact CG2-CD1 4.35Å; I199-Y253 HydrophobicContact CG2-CE1 3.51Å; I199-Y253 HydrophobicContact CG2-CE2 4.15Å; I199-Y253 VanDerWaalsContact CG2-OH 3.27Å; I199-Y253 WeakPolarHBondContact CG2-OH 3.42Å; D251-Y253 VanDerWaalsContact C-N 3.27Å; D251-Y253 PolarHBondContact O-N 3.46Å; D251-Y253 WeakPolarHBondContact OD1-CB 3.29Å; D251-Y253 WeakPolarHBondContact OD1-CD2 3.27Å; D251-Y253 PolarHBondContact OD1-N 2.96Å; Y253-I255 PolarHBondContact O-N 2.66Å
254S68.4Low71.8Confident28 Ų2852.4 Ų52.420%0.19629%0.293CS..  trans-62.4126.6-178.770.60000110.9D251D251-S254 VanDerWaalsContact O-CB 3.3Å; D251-S254 WeakPolarHBondContact O-CB 3.5Å; D251-S254 PolarHBondContact O-N 2.89Å; D251-S254 VanDerWaalsContact O-N 3.15Å; D251-S254 PolarHBondContact O-OG 3.43Å
255I62.6Low71.5Confident99 Ų9951.3 Ų51.351%0.50829%0.287SS..  trans-92.6122.3170.5-56.3175.1000104.9Y253 N257Y253-I255 PolarHBondContact O-N 2.66Å; I255-N257 PolarHBondContact O-N 3.33Å
256P57.8Low71Confident33 Ų3351.3 Ų51.321%0.21429%0.287CS..  trans-64.1114.5-178.223.9-31.1000109.5D260 Y262P256-D260 HydrophobicContact CB-CB 3.99Å; P256-Y262 HydrophobicContact CB-CE2 4.47Å; P256-Y262 HydrophobicContact CG-CD1 4.07Å; P256-Y262 HydrophobicContact CG-CE1 3.56Å; P256-Y262 HydrophobicContact CG-CE2 4.18Å
257N53.4Low70.7Confident134 Ų13451.3 Ų51.372%0.71729%0.287SS*.  trans-95.6107.1164.6-82.5-10.1000107.4I255 S259I255-N257 PolarHBondContact O-N 3.33Å; N257-S259 PolarHBondContact O-N 3.44Å
258G55.5Low70.6Confident86 Ų8651.3 Ų51.389%0.88729%0.287SS*.THydrogen-bonded Turntrans74-108.2175.700000113.7
259S50.5Low70.6Confident121 Ų12151.3 Ų51.385%0.84629%0.287SS*.THydrogen-bonded Turntrans-95.15.6-171.761.20000114.7N257 I261N257-S259 PolarHBondContact O-N 3.44Å; S259-I261 PolarHBondContact O-N 2.85Å
260D53.2Low70.8Confident66 Ų6652.2 Ų52.235%0.35329%0.29SS..PPolyproline II helixtrans-57.6122178.5-100.5-47.8000111.3K161 P256 Y262K161-D260 IonicContact NZ-OD1 2.89Å; K161-D260 PolarHBondContact NZ-OD1 3.3Å; P256-D260 HydrophobicContact CB-CB 3.99Å; D260-Y262 PolarHBondContact O-N 3.39Å
261I59Low71.1Confident70 Ų7052.7 Ų52.736%0.35929%0.292SS..PPolyproline II helixtrans-60.3121.8173.1-56.9179.7000107.6E160 K161 S259E160-I261 VanDerWaalsContact CD-CD1 3.47Å; E160-I261 HydrophobicContact CG-CD1 4.32Å; E160-I261 WeakPolarHBondContact OE2-CD1 3.43Å; K161-I261 PolarHBondContact NZ-O 3.42Å; S259-I261 PolarHBondContact O-N 2.85Å
262Y67.1Low71.4Confident145 Ų14553 Ų5357%0.56929%0.294SS*.PPolyproline II helixtrans-53.4139.7175.2-81.9-93.2000110.6T193 P256 D260 D264T193-Y262 HydrophobicContact CG2-CD1 3.54Å; T193-Y262 HydrophobicContact CG2-CE1 3.7Å; P256-Y262 HydrophobicContact CB-CE2 4.47Å; P256-Y262 HydrophobicContact CG-CD1 4.07Å; P256-Y262 HydrophobicContact CG-CE1 3.56Å; P256-Y262 HydrophobicContact CG-CE2 4.18Å; D260-Y262 PolarHBondContact O-N 3.39Å; Y262-D264 PolarHBondContact O-N 3.04Å
263P71.6Confident72Confident6 Ų653.5 Ų53.54%0.03930%0.297CS..PPolyproline II helixtrans-62.712117126.4-33.5000109.5S195 I248 H249 P252S195-P263 PolarHBondContact OG-O 3.44Å; I248-P263 HydrophobicContact CG2-CB 3.96Å; H249-P263 CarbonylContact O-C 3.54Å; H249-P263 WeakPolarHBondContact O-CA 3.41Å; P252-P263 HydrophobicContact CB-CB 4.13Å
264D76Confident72.4Confident57 Ų5750.3 Ų50.331%0.30529%0.288SS..EExtended strand (participates in β ladder)trans-100.9122.9-173.7-169.815.6000111.4R156 I248 H249 Y262 S266R156-D264 WeakPolarHBondContact CB-OD2 3.45Å; I248-D264 WeakPolarHBondContact CA-O 3.33Å; H249-D264 PolarHBondContact N-O 3.07Å; H249-D264 PolarHBondContact O-N 3.15Å; Y262-D264 PolarHBondContact O-N 3.04Å; D264-S266 PolarHBondContact O-N 3.3Å; D264-S266 PolarHBondContact O-OG 3.27Å
265W81.7Confident72.8Confident2 Ų253.3 Ų53.31%0.00831%0.307CS..EExtended strand (participates in β ladder)trans-70102.2171.3178.513.8000109.3P136 I179 A182 Y183 L198 I246 G267 I268P136-W265 HydrophobicContact CB-CD2 3.76Å; P136-W265 HydrophobicContact CB-CE3 4.45Å; P136-W265 HydrophobicContact CB-CG 3.93Å; P136-W265 HydrophobicContact CB-CZ2 4.27Å; P136-W265 HydrophobicContact CG-CD2 3.71Å; P136-W265 VanDerWaalsContact CG-CE2 3.49Å; P136-W265 HydrophobicContact CG-CE3 3.98Å; P136-W265 HydrophobicContact CG-CG 4.4Å; P136-W265 HydrophobicContact CG-CH2 4.03Å; P136-W265 HydrophobicContact CG-CZ2 3.69Å; P136-W265 HydrophobicContact CG-CZ3 4.14Å; I179-W265 HydrophobicContact CB-CH2 4.18Å; I179-W265 HydrophobicContact CG1-CH2 3.48Å; I179-W265 VanDerWaalsContact CG1-CH2 3.48Å; I179-W265 HydrophobicContact CG1-CZ2 4.17Å; I179-W265 HydrophobicContact CG1-CZ3 4.26Å; I179-W265 HydrophobicContact CG2-CH2 4.48Å; I179-W265 HydrophobicContact CG2-CZ3 4.48Å; A182-W265 HydrophobicContact CB-CZ3 4.05Å; Y183-W265 HydrophobicContact CD2-CE3 4.47Å; Y183-W265 HydrophobicContact CD2-CZ3 4.22Å; Y183-W265 AromaticContact CE2-CE3 3.53Å; Y183-W265 HydrophobicContact CE2-CE3 3.53Å; Y183-W265 AromaticContact CE2-CZ3 3.64Å; Y183-W265 HydrophobicContact CE2-CZ3 3.64Å; L198-W265 HydrophobicContact CD1-CB 4.45Å; L198-W265 HydrophobicContact CD1-CD2 3.62Å; L198-W265 HydrophobicContact CD1-CE3 3.74Å; L198-W265 HydrophobicContact CD1-CG 3.96Å; L198-W265 HydrophobicContact CD1-CH2 4.21Å; L198-W265 HydrophobicContact CD1-CZ2 4.17Å; L198-W265 HydrophobicContact CD1-CZ3 4.04Å; L198-W265 HydrophobicContact CD2-CH2 4.09Å; L198-W265 HydrophobicContact CD2-CZ3 4.26Å; I246-W265 HydrophobicContact CD1-CZ2 3.97Å; I246-W265 HydrophobicContact CG1-CZ2 4.26Å; I246-W265 HydrophobicContact CG2-CZ2 4.39Å; I246-W265 VanDerWaalsContact CG2-NE1 3.35Å; W265-G267 PolarHBondContact NE1-O 3.3Å; W265-I268 HydrophobicContact CH2-CD1 4.44Å; W265-I268 HydrophobicContact CZ2-CD1 3.69Å; W265-I268 HydrophobicContact CZ2-CG1 3.69Å
266S81.7Confident73.3Confident0 Ų051.8 Ų51.80%030%0.298CS..EExtended strand (participates in β ladder)trans-94.8-42.2-162.9-61.60000112.7K137 P154 R156 C247 H249 D264K137-S266 PolarHBondContact N-O 2.98Å; K137-S266 VanDerWaalsContact N-O 3.15Å; P154-S266 VanDerWaalsContact O-CB 3.31Å; P154-S266 WeakPolarHBondContact O-CB 3.42Å; R156-S266 PolarHBondContact NE-O 3.23Å; C247-S266 PolarHBondContact O-N 3.09Å; C247-S266 VanDerWaalsContact O-N 3.09Å; H249-S266 VanDerWaalsContact CD2-CB 3.45Å; H249-S266 WeakPolarHBondContact CD2-CB 3.16Å; H249-S266 PolarHBondContact CD2-OG 2.99Å; D264-S266 PolarHBondContact O-N 3.3Å; D264-S266 PolarHBondContact O-OG 3.27Å
267G85.7Confident74.1Confident0 Ų053.6 Ų53.60%031%0.311CS..EExtended strand (participates in β ladder)trans-147.3154.1-174.400000115.2K137 C247 W265K137-G267 CarbonylContact O-C 3.57Å; K137-G267 VanDerWaalsContact O-CA 3.25Å; K137-G267 WeakPolarHBondContact O-CA 3.08Å; C247-G267 PolarHBondContact N-O 3.31Å; C247-G267 PolarHBondContact O-N 2.04Å; W265-G267 PolarHBondContact NE1-O 3.3Å
268I87.5Confident75Confident0 Ų051.6 Ų51.60%031%0.308CS..EExtended strand (participates in β ladder)trans-118.2120.9160.8-54.3168.2000105.4P136 K137 R138 I139 L175 I179 L245 I246 W265 Y270P136-I268 HydrophobicContact CB-CD1 4.28Å; P136-I268 HydrophobicContact CB-CG1 4.12Å; P136-I268 HydrophobicContact CG-CD1 3.65Å; P136-I268 HydrophobicContact CG-CG1 4.02Å; K137-I268 PolarHBondContact O-N 3.31Å; R138-I268 CarbonylContact C-O 3.5Å; R138-I268 WeakPolarHBondContact CA-O 3.49Å; R138-I268 HydrophobicContact CG-CB 4.23Å; R138-I268 HydrophobicContact CG-CD1 4.13Å; I139-I268 PolarHBondContact N-O 2.8Å; L175-I268 HydrophobicContact CD1-CD1 4.41Å; L175-I268 HydrophobicContact CD2-CD1 4.35Å; L175-I268 HydrophobicContact CD2-CG2 4.07Å; I179-I268 HydrophobicContact CD1-CD1 3.56Å; I179-I268 HydrophobicContact CG1-CD1 4.08Å; L245-I268 CarbonylContact O-C 3.57Å; L245-I268 WeakPolarHBondContact O-CA 3.28Å; I246-I268 HydrophobicContact CG1-CG1 4.21Å; I246-I268 HydrophobicContact CG1-CG2 4.43Å; W265-I268 HydrophobicContact CH2-CD1 4.44Å; W265-I268 HydrophobicContact CZ2-CD1 3.69Å; W265-I268 HydrophobicContact CZ2-CG1 3.69Å; I268-Y270 HydrophobicContact CB-CE2 4.44Å; I268-Y270 HydrophobicContact CG2-CD2 4.25Å; I268-Y270 HydrophobicContact CG2-CE1 4.48Å; I268-Y270 HydrophobicContact CG2-CE2 3.56Å
269I88.5Confident75.7Confident1 Ų153 Ų531%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-116.6125.5-174.6-64.4156.7000108.5I139 I141 I151 T152 W165 L245 I271I139-I269 HydrophobicContact CB-CG1 4.37Å; I139-I269 CarbonylContact O-C 3.58Å; I139-I269 WeakPolarHBondContact O-CA 3.41Å; I141-I269 HydrophobicContact CD1-CG2 3.94Å; I141-I269 HydrophobicContact CG1-CG2 4.44Å; I151-I269 HydrophobicContact CG2-CD1 4.08Å; I151-I269 HydrophobicContact CG2-CG2 3.93Å; T152-I269 WeakPolarHBondContact O-CD1 3.5Å; W165-I269 HydrophobicContact CH2-CD1 3.71Å; W165-I269 HydrophobicContact CZ3-CD1 3.58Å; L245-I269 HydrophobicContact CB-CB 4.44Å; L245-I269 PolarHBondContact N-O 3.43Å; L245-I269 PolarHBondContact O-N 2.96Å; I269-I271 HydrophobicContact CG2-CD1 4.41Å; I269-I271 HydrophobicContact CG2-CG1 4.16Å
270Y87.6Confident76.5Confident39 Ų3948.7 Ų48.715%0.15327%0.266CS..EExtended strand (participates in β ladder)trans-112.3132.8173.4-58.6-89.4000108.6I139 T140 I141 L175 H243 N244 I268I139-Y270 PolarHBondContact O-N 3.24Å; T140-Y270 CarbonylContact C-O 3.56Å; T140-Y270 WeakPolarHBondContact CA-O 3.22Å; I141-Y270 PolarHBondContact N-O 3.31Å; L175-Y270 HydrophobicContact CD2-CE1 4.26Å; L175-Y270 WeakPolarHBondContact CD2-OH 3.28Å; H243-Y270 CarbonylContact O-C 3.59Å; H243-Y270 WeakPolarHBondContact O-CA 3.37Å; N244-Y270 VanDerWaalsContact OD1-CD1 3.22Å; N244-Y270 WeakPolarHBondContact OD1-CD1 3.49Å; I268-Y270 HydrophobicContact CB-CE2 4.44Å; I268-Y270 HydrophobicContact CG2-CD2 4.25Å; I268-Y270 HydrophobicContact CG2-CE1 4.48Å; I268-Y270 HydrophobicContact CG2-CE2 3.56Å
271I85Confident77.2Confident12 Ų1249.3 Ų49.36%0.06226%0.263CS..EExtended strand (participates in β ladder)trans-116.1114.3178.4-63.8160.2000106.8I141 V143 L149 I151 L242 H243 I269 V273I141-I271 HydrophobicContact CB-CG1 4.3Å; I141-I271 HydrophobicContact CD1-CG1 4.47Å; I141-I271 CarbonylContact O-C 3.55Å; I141-I271 WeakPolarHBondContact O-CA 3.48Å; V143-I271 HydrophobicContact CG1-CG2 3.94Å; L149-I271 HydrophobicContact CD2-CD1 3.96Å; L149-I271 HydrophobicContact CD2-CG1 4.12Å; L149-I271 HydrophobicContact CD2-CG2 3.82Å; I151-I271 HydrophobicContact CD1-CD1 3.28Å; I151-I271 HydrophobicContact CG1-CD1 3.7Å; I151-I271 HydrophobicContact CG2-CD1 4.31Å; L242-I271 VanDerWaalsContact O-CD1 3.29Å; L242-I271 WeakPolarHBondContact O-CD1 3.2Å; H243-I271 PolarHBondContact O-N 2.85Å; I269-I271 HydrophobicContact CG2-CD1 4.41Å; I269-I271 HydrophobicContact CG2-CG1 4.16Å; I271-V273 HydrophobicContact CG2-CG2 4.09Å
272D82.2Confident78Confident76 Ų7651.2 Ų51.241%0.40627%0.273SS..EExtended strand (participates in β ladder)trans-101.9110.4176.4-173.920.5000108.5I141 Q142 V143I141-D272 PolarHBondContact O-N 3.34Å; Q142-D272 WeakPolarHBondContact CA-O 3.46Å; Q142-D272 HydrophobicContact CG-CB 4.15Å; V143-D272 PolarHBondContact N-O 3.33Å
273V83.8Confident78.3Confident11 Ų1148.1 Ų48.17%0.06727%0.266CS..EExtended strand (participates in β ladder)trans-92.5108.2-179.4-175.40000109.1V143 E145 I271 P275V143-V273 HydrophobicContact CG1-CB 4.49Å; V143-V273 HydrophobicContact CG1-CG2 3.94Å; V143-V273 CarbonylContact O-C 3.53Å; V143-V273 WeakPolarHBondContact O-CA 3.42Å; E145-V273 HydrophobicContact CB-CG1 3.98Å; I271-V273 HydrophobicContact CG2-CG2 4.09Å; V273-P275 WeakPolarHBondContact O-CD 3.45Å
274L80.8Confident78.4Confident70 Ų7050 Ų5037%0.36628%0.28SS..EExtended strand (participates in β ladder)trans-69.7117.1175.4-62.1175.7000109V143 E145 Q276V143-L274 PolarHBondContact O-N 3.27Å; E145-L274 WeakPolarHBondContact CB-O 3.16Å; E145-L274 PolarHBondContact N-O 3.26Å; L274-Q276 PolarHBondContact O-N 3.34Å
275P78.6Confident78.5Confident91 Ų9154.2 Ų54.259%0.59130%0.295SS*.PPolyproline II helixtrans-65.8137.6-178.727.3-33.9000110.3V273 S277V273-P275 WeakPolarHBondContact O-CD 3.45Å; P275-S277 PolarHBondContact O-N 3.46Å
276Q72.3Confident78.4Confident68 Ų6858.2 Ų58.232%0.31832%0.316SS..PPolyproline II helixtrans-69.2133.7175.1-170.2176.746.700109.4E145 L274 A280E145-Q276 HydrophobicContact CB-CB 4.37Å; E145-Q276 PolarHBondContact OE2-N 3.2Å; L274-Q276 PolarHBondContact O-N 3.34Å; Q276-A280 HydrophobicContact CG-CB 3.72Å
277S74.7Confident78.3Confident70 Ų7059.6 Ų59.649%0.4933%0.325SS..PPolyproline II helixtrans-59.1143.9173.973.80000110.4P275 L279 A280 R281P275-S277 PolarHBondContact O-N 3.46Å; S277-L279 PolarHBondContact O-N 3.05Å; S277-A280 PolarHBondContact O-N 3.34Å; S277-A280 VanDerWaalsContact O-N 3.07Å; S277-A280 WeakPolarHBondContact OG-CB 3.39Å; S277-A280 PolarHBondContact OG-N 3.19Å; S277-R281 PolarHBondContact O-N 3.44Å; S277-R281 VanDerWaalsContact O-N 3.08Å
278S72.3Confident78.1Confident93 Ų9362.4 Ų62.465%0.6534%0.343SS*.Hα-helixtrans-55.4-36.4178.653.90000111.9R281 I282S278-R281 PolarHBondContact O-N 3.47Å; S278-I282 VanDerWaalsContact O-CG1 3.31Å; S278-I282 WeakPolarHBondContact O-CG1 3.34Å; S278-I282 PolarHBondContact O-N 3.32Å
279L69.6Low77.9Confident116 Ų11665.8 Ų65.861%0.60736%0.364SS*.Hα-helixtrans-63.7-46.9176.4-168153.7000111.6S277 R281 I282 L283S277-L279 PolarHBondContact O-N 3.05Å; L279-R281 VanDerWaalsContact C-N 3.29Å; L279-R281 PolarHBondContact O-N 3.05Å; L279-I282 PolarHBondContact O-N 3.06Å; L279-L283 HydrophobicContact CD2-CD1 4.31Å; L279-L283 WeakPolarHBondContact O-CB 3.48Å; L279-L283 PolarHBondContact O-N 2.98Å
280A68.3Low77.6Confident29 Ų2969.4 Ų69.424%0.2438%0.382CS..Hα-helixtrans-62.6-37.2177.800000112Q276 S277 L283 S284Q276-A280 HydrophobicContact CG-CB 3.72Å; S277-A280 PolarHBondContact O-N 3.34Å; S277-A280 VanDerWaalsContact O-N 3.07Å; S277-A280 WeakPolarHBondContact OG-CB 3.39Å; S277-A280 PolarHBondContact OG-N 3.19Å; A280-L283 PolarHBondContact O-N 2.92Å; A280-S284 WeakPolarHBondContact O-CB 3.44Å; A280-S284 PolarHBondContact O-N 2.86Å; A280-S284 PolarHBondContact O-OG 2.86Å
281R67.4Low77.3Confident79 Ų7971.8 Ų71.830%0.29840%0.395SS..Hα-helixtrans-67.5-36.7174.8-176.4177.7-102.1146.2-4.7112.9E145 S277 S278 L279 S284 K285E145-R281 IonicContact OE1-CZ 3.67Å; E145-R281 IonicContact OE1-NH1 3.73Å; E145-R281 IonicContact OE1-NH2 2.76Å; E145-R281 PolarHBondContact OE1-NH2 3.41Å; S277-R281 PolarHBondContact O-N 3.44Å; S277-R281 VanDerWaalsContact O-N 3.08Å; S278-R281 PolarHBondContact O-N 3.47Å; L279-R281 VanDerWaalsContact C-N 3.29Å; L279-R281 PolarHBondContact O-N 3.05Å; R281-S284 PolarHBondContact O-OG 3.29Å; R281-K285 WeakPolarHBondContact O-CG 3.19Å; R281-K285 PolarHBondContact O-N 2.76Å
282I75.5Confident77.3Confident111 Ų11177.4 Ų77.457%0.56942%0.423SS*.Hα-helixtrans-68.8-46174.2-68.7164.4000109.4S278 L279 S284 K285 L286S278-I282 VanDerWaalsContact O-CG1 3.31Å; S278-I282 WeakPolarHBondContact O-CG1 3.34Å; S278-I282 PolarHBondContact O-N 3.32Å; L279-I282 PolarHBondContact O-N 3.06Å; I282-S284 PolarHBondContact O-N 2.77Å; I282-K285 PolarHBondContact O-N 3.15Å; I282-L286 WeakPolarHBondContact O-CB 3.42Å; I282-L286 PolarHBondContact O-N 2.79Å
283L74.3Confident77.5Confident79 Ų7977.6 Ų77.641%0.41442%0.423SS..Hα-helixtrans-60.1-46.4-178.8-145.495.9000111.1L279 A280 K285 L286 T287L279-L283 HydrophobicContact CD2-CD1 4.31Å; L279-L283 WeakPolarHBondContact O-CB 3.48Å; L279-L283 PolarHBondContact O-N 2.98Å; A280-L283 PolarHBondContact O-N 2.92Å; L283-K285 VanDerWaalsContact C-N 3.27Å; L283-K285 PolarHBondContact O-N 3.21Å; L283-L286 PolarHBondContact O-N 3.26Å; L283-T287 PolarHBondContact O-N 3.17Å; L283-T287 PolarHBondContact O-OG1 3.2Å
284S73.6Confident77.7Confident46 Ų4680.3 Ų80.332%0.32244%0.436SS..Hα-helixtrans-61.6-33.6-179.971.60000113.2A280 R281 I282 P288A280-S284 WeakPolarHBondContact O-CB 3.44Å; A280-S284 PolarHBondContact O-N 2.86Å; A280-S284 PolarHBondContact O-OG 2.86Å; R281-S284 PolarHBondContact O-OG 3.29Å; I282-S284 PolarHBondContact O-N 2.77Å; S284-P288 WeakPolarHBondContact O-CD 2.99Å
285K76.8Confident78Confident146 Ų14680.6 Ų80.664%0.63544%0.442SS*.Hα-helixtrans-77.8-31.3173.9-69.9-175.7177.7-171.10113R281 I282 L283 P288R281-K285 WeakPolarHBondContact O-CG 3.19Å; R281-K285 PolarHBondContact O-N 2.76Å; I282-K285 PolarHBondContact O-N 3.15Å; L283-K285 VanDerWaalsContact C-N 3.27Å; L283-K285 PolarHBondContact O-N 3.21Å; K285-P288 WeakPolarHBondContact O-CD 3.37Å; K285-P288 WeakPolarHBondContact O-CG 3.42Å
286L79.4Confident78.5Confident85 Ų8582.8 Ų82.845%0.44544%0.443SS..Hα-helixtrans-77.7-34.2-178.8-159.583.7000111.9I282 L283 V289 I290I282-L286 WeakPolarHBondContact O-CB 3.42Å; I282-L286 PolarHBondContact O-N 2.79Å; L283-L286 PolarHBondContact O-N 3.26Å; L286-V289 WeakPolarHBondContact O-CB 3.3Å; L286-V289 PolarHBondContact O-N 3.47Å; L286-V289 VanDerWaalsContact O-N 3.12Å; L286-I290 HydrophobicContact CB-CD1 4.43Å; L286-I290 HydrophobicContact CD2-CD1 3.47Å; L286-I290 VanDerWaalsContact CD2-CD1 3.47Å; L286-I290 HydrophobicContact CD2-CG1 4.32Å; L286-I290 HydrophobicContact CG-CD1 3.68Å; L286-I290 HydrophobicContact CG-CG1 4.09Å; L286-I290 WeakPolarHBondContact O-CG1 3.46Å; L286-I290 PolarHBondContact O-N 2.73Å
287T80.9Confident79.2Confident30 Ų3084.6 Ų84.618%0.18445%0.453CS..Hα-helixtrans-51-52.8-179.9-58.30000113.9L283 V289 I290 Q291L283-T287 PolarHBondContact O-N 3.17Å; L283-T287 PolarHBondContact O-OG1 3.2Å; T287-V289 VanDerWaalsContact C-N 3.32Å; T287-V289 PolarHBondContact O-N 2.93Å; T287-I290 PolarHBondContact O-N 3.11Å; T287-Q291 WeakPolarHBondContact O-CG 3.07Å; T287-Q291 PolarHBondContact O-N 2.99Å
288P80.1Confident79.8Confident59 Ų5985.4 Ų85.438%0.38345%0.452SS..Hα-helixtrans-65-35.7178.724.1-33.7000112.3S284 K285 Q291 I292S284-P288 WeakPolarHBondContact O-CD 2.99Å; K285-P288 WeakPolarHBondContact O-CD 3.37Å; K285-P288 WeakPolarHBondContact O-CG 3.42Å; P288-Q291 PolarHBondContact O-N 3.2Å; P288-I292 VanDerWaalsContact O-CG1 3.32Å; P288-I292 WeakPolarHBondContact O-CG1 3.43Å; P288-I292 PolarHBondContact O-N 3.22Å
289V83.3Confident80.6Confident71 Ų7183.7 Ų83.743%0.4344%0.443SS..Hα-helixtrans-63-45.1175.9178.50000110.5L286 T287 I292 I293L286-V289 WeakPolarHBondContact O-CB 3.3Å; L286-V289 PolarHBondContact O-N 3.47Å; L286-V289 VanDerWaalsContact O-N 3.12Å; T287-V289 VanDerWaalsContact C-N 3.32Å; T287-V289 PolarHBondContact O-N 2.93Å; V289-I292 PolarHBondContact O-N 2.73Å; V289-I293 HydrophobicContact CG1-CD1 3.65Å; V289-I293 HydrophobicContact CG1-CG1 4.48Å; V289-I293 VanDerWaalsContact O-CG1 3.31Å; V289-I293 WeakPolarHBondContact O-CG1 3.46Å; V289-I293 PolarHBondContact O-N 3.39Å
290I82.6Confident81.6Confident77 Ų7782.6 Ų82.640%0.39544%0.438SS..Hα-helixtrans-63.1-42.8175.7-68.9167.1000110.6L286 T287 I292 I293 M294L286-I290 HydrophobicContact CB-CD1 4.43Å; L286-I290 HydrophobicContact CD2-CD1 3.47Å; L286-I290 VanDerWaalsContact CD2-CD1 3.47Å; L286-I290 HydrophobicContact CD2-CG1 4.32Å; L286-I290 HydrophobicContact CG-CD1 3.68Å; L286-I290 HydrophobicContact CG-CG1 4.09Å; L286-I290 WeakPolarHBondContact O-CG1 3.46Å; L286-I290 PolarHBondContact O-N 2.73Å; T287-I290 PolarHBondContact O-N 3.11Å; I290-I292 VanDerWaalsContact C-N 3.26Å; I290-I292 PolarHBondContact O-N 3.36Å; I290-I293 PolarHBondContact O-N 2.87Å; I290-M294 HydrophobicContact CG2-CE 4.05Å; I290-M294 WeakPolarHBondContact O-CB 3.32Å; I290-M294 PolarHBondContact O-N 2.94Å
291Q81.9Confident82.6Confident89 Ų8983 Ų8342%0.41644%0.444SS..Hα-helixtrans-61.2-33.7178.2-77.8176.3-25.200112.7T287 P288 P295T287-Q291 WeakPolarHBondContact O-CG 3.07Å; T287-Q291 PolarHBondContact O-N 2.99Å; P288-Q291 PolarHBondContact O-N 3.2Å; Q291-P295 WeakPolarHBondContact O-CD 2.89Å
292I85.9Confident83.6Confident129 Ų12984.1 Ų84.166%0.66246%0.455SS*.Hα-helixtrans-75.4-40.1175.9-66.6165.5000111.4P288 V289 I290 P295P288-I292 VanDerWaalsContact O-CG1 3.32Å; P288-I292 WeakPolarHBondContact O-CG1 3.43Å; P288-I292 PolarHBondContact O-N 3.22Å; V289-I292 PolarHBondContact O-N 2.73Å; I290-I292 VanDerWaalsContact C-N 3.26Å; I290-I292 PolarHBondContact O-N 3.36Å; I292-P295 WeakPolarHBondContact O-CD 3.09Å; I292-P295 WeakPolarHBondContact O-CG 3.15Å
293I85.9Confident84.3Confident80 Ų8085.1 Ų85.141%0.4146%0.455SS..Hα-helixtrans-80.3-33.2-175.3-66.2173.1000112.2V289 I290 F296 I297V289-I293 HydrophobicContact CG1-CD1 3.65Å; V289-I293 HydrophobicContact CG1-CG1 4.48Å; V289-I293 VanDerWaalsContact O-CG1 3.31Å; V289-I293 WeakPolarHBondContact O-CG1 3.46Å; V289-I293 PolarHBondContact O-N 3.39Å; I290-I293 PolarHBondContact O-N 2.87Å; I293-F296 WeakPolarHBondContact O-CA 2.69Å; I293-F296 WeakPolarHBondContact O-CB 3.42Å; I293-F296 PolarHBondContact O-N 3.43Å; I293-I297 HydrophobicContact CG2-CD1 3.57Å; I293-I297 HydrophobicContact CG2-CG1 3.84Å; I293-I297 PolarHBondContact O-N 3.35Å
294M86.6Confident85.1Confident68 Ų6887.4 Ų87.434%0.33546%0.462SS..Hα-helixtrans-52.9-48.6-178.1-176.4177.9-77.700114.1I290 F296 I297 L298I290-M294 HydrophobicContact CG2-CE 4.05Å; I290-M294 WeakPolarHBondContact O-CB 3.32Å; I290-M294 PolarHBondContact O-N 2.94Å; M294-F296 VanDerWaalsContact C-N 3.26Å; M294-F296 PolarHBondContact O-N 2.92Å; M294-I297 PolarHBondContact O-N 2.87Å; M294-L298 HydrophobicContact CG-CD1 4.01Å; M294-L298 WeakPolarHBondContact O-CB 3.49Å; M294-L298 WeakPolarHBondContact O-CG 3.45Å; M294-L298 PolarHBondContact O-N 3.11Å
295P88.4Confident85.6Confident76 Ų7687.7 Ų87.749%0.49446%0.459SS..Hα-helixtrans-64.1-31.8176.925.3-35.1000112.6Q291 I292 L298 A299Q291-P295 WeakPolarHBondContact O-CD 2.89Å; I292-P295 WeakPolarHBondContact O-CD 3.09Å; I292-P295 WeakPolarHBondContact O-CG 3.15Å; P295-L298 PolarHBondContact O-N 3.35Å; P295-A299 VanDerWaalsContact O-CB 3.3Å; P295-A299 WeakPolarHBondContact O-CB 3.35Å; P295-A299 PolarHBondContact O-N 2.85Å
296F88.1Confident86Confident137 Ų13784.9 Ų84.960%0.60145%0.45SS*.Hα-helixtrans-67.9-43.9176.3-172.9-99.9000111.6I293 M294 L298 A299 L300I293-F296 WeakPolarHBondContact O-CA 2.69Å; I293-F296 WeakPolarHBondContact O-CB 3.42Å; I293-F296 PolarHBondContact O-N 3.43Å; M294-F296 VanDerWaalsContact C-N 3.26Å; M294-F296 PolarHBondContact O-N 2.92Å; F296-L298 VanDerWaalsContact C-N 3.35Å; F296-A299 PolarHBondContact O-N 2.86Å; F296-L300 HydrophobicContact CD1-CD1 3.78Å; F296-L300 HydrophobicContact CD1-CG 4.44Å; F296-L300 HydrophobicContact CE1-CD1 3.44Å; F296-L300 VanDerWaalsContact CE1-CD1 3.44Å; F296-L300 HydrophobicContact CE1-CG 4.2Å; F296-L300 HydrophobicContact CZ-CD1 4.13Å; F296-L300 WeakPolarHBondContact O-CG 3.25Å; F296-L300 PolarHBondContact O-N 3.48Å
297I87.5Confident86.3Confident106 Ų10684.8 Ų84.854%0.54445%0.449SS..Hα-helixtrans-63-43.1174.6-65.6176.2000110.7I293 M294 L300 G301I293-I297 HydrophobicContact CG2-CD1 3.57Å; I293-I297 HydrophobicContact CG2-CG1 3.84Å; I293-I297 PolarHBondContact O-N 3.35Å; M294-I297 PolarHBondContact O-N 2.87Å; I297-L300 PolarHBondContact O-N 3.27Å; I297-G301 PolarHBondContact O-N 2.8Å
298L88.4Confident86.4Confident88 Ų8886.8 Ų86.846%0.46146%0.458SS..Hα-helixtrans-63.4-42.4177-73.2169.3000111.8M294 P295 F296 G301 I302M294-L298 HydrophobicContact CG-CD1 4.01Å; M294-L298 WeakPolarHBondContact O-CB 3.49Å; M294-L298 WeakPolarHBondContact O-CG 3.45Å; M294-L298 PolarHBondContact O-N 3.11Å; P295-L298 PolarHBondContact O-N 3.35Å; F296-L298 VanDerWaalsContact C-N 3.35Å; L298-G301 PolarHBondContact O-N 2.61Å; L298-I302 VanDerWaalsContact O-CG1 3.31Å; L298-I302 WeakPolarHBondContact O-CG1 3.43Å; L298-I302 PolarHBondContact O-N 2.85Å
299A89.2Confident86.4Confident56 Ų5686.2 Ų86.246%0.46345%0.454SS..Hα-helixtrans-62-43.6176.100000112P295 F296 G301 I302 F303P295-A299 VanDerWaalsContact O-CB 3.3Å; P295-A299 WeakPolarHBondContact O-CB 3.35Å; P295-A299 PolarHBondContact O-N 2.85Å; F296-A299 PolarHBondContact O-N 2.86Å; A299-G301 VanDerWaalsContact C-N 3.34Å; A299-G301 PolarHBondContact O-N 2.97Å; A299-I302 PolarHBondContact O-N 3.49Å; A299-F303 WeakPolarHBondContact O-CB 3.45Å; A299-F303 PolarHBondContact O-N 3.27Å
300L90.4Very high86.2Confident94 Ų9486.1 Ų86.149%0.49245%0.451SS..Hα-helixtrans-61.6-41.8173.4-75.1173000111.9F296 I297 F303 F304F296-L300 HydrophobicContact CD1-CD1 3.78Å; F296-L300 HydrophobicContact CD1-CG 4.44Å; F296-L300 HydrophobicContact CE1-CD1 3.44Å; F296-L300 VanDerWaalsContact CE1-CD1 3.44Å; F296-L300 HydrophobicContact CE1-CG 4.2Å; F296-L300 HydrophobicContact CZ-CD1 4.13Å; F296-L300 WeakPolarHBondContact O-CG 3.25Å; F296-L300 PolarHBondContact O-N 3.48Å; I297-L300 PolarHBondContact O-N 3.27Å; L300-F303 PolarHBondContact O-N 2.85Å; L300-F304 WeakPolarHBondContact O-CB 3.31Å; L300-F304 PolarHBondContact O-N 2.94Å
301G89.4Confident86.1Confident36 Ų3690 Ų9037%0.37146%0.462SS..Hα-helixtrans-61-45.2175.700000112.6I297 L298 A299 F304 M305I297-G301 PolarHBondContact O-N 2.8Å; L298-G301 PolarHBondContact O-N 2.61Å; A299-G301 VanDerWaalsContact C-N 3.34Å; A299-G301 PolarHBondContact O-N 2.97Å; G301-F304 PolarHBondContact O-N 3.29Å; G301-M305 VanDerWaalsContact O-CG 3.31Å; G301-M305 WeakPolarHBondContact O-CG 3.26Å; G301-M305 PolarHBondContact O-N 3.46Å
302I88.3Confident86Confident104 Ų10489.5 Ų89.553%0.53347%0.465SS..Hα-helixtrans-63.6-44.8176.2-67.4164.6000110.6L298 A299 F304 M305 I306L298-I302 VanDerWaalsContact O-CG1 3.31Å; L298-I302 WeakPolarHBondContact O-CG1 3.43Å; L298-I302 PolarHBondContact O-N 2.85Å; A299-I302 PolarHBondContact O-N 3.49Å; I302-F304 VanDerWaalsContact C-N 3.32Å; I302-F304 PolarHBondContact O-N 3.06Å; I302-M305 WeakPolarHBondContact O-CB 3.27Å; I302-M305 PolarHBondContact O-N 3.04Å; I302-I306 HydrophobicContact CG2-CD1 3.94Å; I302-I306 HydrophobicContact CG2-CG1 4.45Å; I302-I306 WeakPolarHBondContact O-CG1 3.44Å; I302-I306 PolarHBondContact O-N 2.77Å
303F89.6Confident85.1Confident131 Ų13188.7 Ų88.758%0.57546%0.458SS*.Hα-helixtrans-59.9-43.5178.2-173.1-103.2000111.8A299 L300 M305 I306 I307A299-F303 WeakPolarHBondContact O-CB 3.45Å; A299-F303 PolarHBondContact O-N 3.27Å; L300-F303 PolarHBondContact O-N 2.85Å; F303-M305 PolarHBondContact O-N 3.39Å; F303-I306 PolarHBondContact O-N 3.2Å; F303-I307 HydrophobicContact CD1-CD1 3.78Å; F303-I307 HydrophobicContact CE1-CD1 3.35Å; F303-I307 HydrophobicContact CE1-CG1 4.33Å; F303-I307 HydrophobicContact CZ-CD1 3.9Å; F303-I307 WeakPolarHBondContact O-CG1 3.13Å; F303-I307 PolarHBondContact O-N 3.3Å
304F90.3Very high83.8Confident128 Ų12892 Ų9256%0.56147%0.466SS*.Hα-helixtrans-63.1-41.3175.4-172.9-108.4000112.3L300 G301 I302 I306 I307 L308L300-F304 WeakPolarHBondContact O-CB 3.31Å; L300-F304 PolarHBondContact O-N 2.94Å; G301-F304 PolarHBondContact O-N 3.29Å; I302-F304 VanDerWaalsContact C-N 3.32Å; I302-F304 PolarHBondContact O-N 3.06Å; F304-I306 PolarHBondContact O-N 3.31Å; F304-I307 PolarHBondContact O-N 3.02Å; F304-L308 HydrophobicContact CD1-CD1 3.57Å; F304-L308 HydrophobicContact CE1-CD1 3.15Å; F304-L308 HydrophobicContact CE1-CG 4.32Å; F304-L308 HydrophobicContact CE2-CD1 4.47Å; F304-L308 HydrophobicContact CG-CD1 4.4Å; F304-L308 HydrophobicContact CZ-CD1 3.66Å; F304-L308 HydrophobicContact CZ-CG 4.46Å; F304-L308 WeakPolarHBondContact O-CB 3.48Å; F304-L308 PolarHBondContact O-N 3.17Å
305M84.1Confident82.7Confident52 Ų5292.5 Ų92.526%0.25647%0.467SS..Hα-helixtrans-63.3-38.5175-73.1-64.3-7000112.7F3 F6 G301 I302 F303 L308 T309F3-M305 HydrophobicContact CE2-CE 4.06Å; F3-M305 HydrophobicContact CZ-CE 4.18Å; F6-M305 HydrophobicContact CE1-SD 4.33Å; G301-M305 VanDerWaalsContact O-CG 3.31Å; G301-M305 WeakPolarHBondContact O-CG 3.26Å; G301-M305 PolarHBondContact O-N 3.46Å; I302-M305 WeakPolarHBondContact O-CB 3.27Å; I302-M305 PolarHBondContact O-N 3.04Å; F303-M305 PolarHBondContact O-N 3.39Å; M305-L308 PolarHBondContact O-N 3.3Å; M305-T309 WeakPolarHBondContact O-CB 3.18Å; M305-T309 WeakPolarHBondContact O-CG2 3.38Å; M305-T309 PolarHBondContact O-N 3.33Å; M305-T309 PolarHBondContact O-OG1 3Å
306I85.7Confident81.4Confident87 Ų8791.6 Ų91.645%0.44646%0.461SS..Hα-helixtrans-63.2-45.1174.2-67.7166.8000110.3I302 F303 F304 L308 T309 L310I302-I306 HydrophobicContact CG2-CD1 3.94Å; I302-I306 HydrophobicContact CG2-CG1 4.45Å; I302-I306 WeakPolarHBondContact O-CG1 3.44Å; I302-I306 PolarHBondContact O-N 2.77Å; F303-I306 PolarHBondContact O-N 3.2Å; F304-I306 PolarHBondContact O-N 3.31Å; I306-L308 PolarHBondContact O-N 3.03Å; I306-T309 WeakPolarHBondContact CA-OG1 3.19Å; I306-T309 PolarHBondContact O-N 2.93Å; I306-T309 PolarHBondContact O-OG1 3.39Å; I306-L310 HydrophobicContact CG2-CD1 3.98Å; I306-L310 HydrophobicContact CG2-CG 4.41Å; I306-L310 WeakPolarHBondContact O-CB 3.44Å; I306-L310 WeakPolarHBondContact O-CG 3.28Å; I306-L310 PolarHBondContact O-N 3.05Å
307I85.8Confident80.2Confident82 Ų8291.7 Ų91.742%0.42146%0.461SS..Hα-helixtrans-61.9-46.3177.4-69.8174.5000111F303 F304 L310 Y311F303-I307 HydrophobicContact CD1-CD1 3.78Å; F303-I307 HydrophobicContact CE1-CD1 3.35Å; F303-I307 HydrophobicContact CE1-CG1 4.33Å; F303-I307 HydrophobicContact CZ-CD1 3.9Å; F303-I307 WeakPolarHBondContact O-CG1 3.13Å; F303-I307 PolarHBondContact O-N 3.3Å; F304-I307 PolarHBondContact O-N 3.02Å; I307-L310 PolarHBondContact O-N 3.4Å; I307-Y311 WeakPolarHBondContact O-CB 2.92Å; I307-Y311 PolarHBondContact O-N 2.87Å
308L83.9Confident79Confident72 Ų7292.4 Ų92.438%0.37746%0.464SS..Hα-helixtrans-59.4-48.9178.3-101.6155.4000111.8F304 M305 I306 L310 Y311 T312F304-L308 HydrophobicContact CD1-CD1 3.57Å; F304-L308 HydrophobicContact CE1-CD1 3.15Å; F304-L308 HydrophobicContact CE1-CG 4.32Å; F304-L308 HydrophobicContact CE2-CD1 4.47Å; F304-L308 HydrophobicContact CG-CD1 4.4Å; F304-L308 HydrophobicContact CZ-CD1 3.66Å; F304-L308 HydrophobicContact CZ-CG 4.46Å; F304-L308 WeakPolarHBondContact O-CB 3.48Å; F304-L308 PolarHBondContact O-N 3.17Å; M305-L308 PolarHBondContact O-N 3.3Å; I306-L308 PolarHBondContact O-N 3.03Å; L308-L310 VanDerWaalsContact C-N 3.34Å; L308-L310 PolarHBondContact O-N 3.15Å; L308-Y311 PolarHBondContact O-N 2.98Å; L308-Y311 VanDerWaalsContact O-N 3.14Å; L308-T312 HydrophobicContact CD2-CG2 4.28Å; L308-T312 WeakPolarHBondContact O-CB 3.43Å; L308-T312 WeakPolarHBondContact O-CG2 3.33Å; L308-T312 PolarHBondContact O-N 3.02Å; L308-T312 PolarHBondContact O-OG1 3.3Å
309T79.6Confident77.9Confident48 Ų4895.7 Ų95.729%0.29447%0.47SS..Hα-helixtrans-64-37.5178.948.80000112.4M305 I306 Y311 E313 R314M305-T309 WeakPolarHBondContact O-CB 3.18Å; M305-T309 WeakPolarHBondContact O-CG2 3.38Å; M305-T309 PolarHBondContact O-N 3.33Å; M305-T309 PolarHBondContact O-OG1 3Å; I306-T309 WeakPolarHBondContact CA-OG1 3.19Å; I306-T309 PolarHBondContact O-N 2.93Å; I306-T309 PolarHBondContact O-OG1 3.39Å; T309-Y311 VanDerWaalsContact C-N 3.33Å; T309-Y311 PolarHBondContact O-N 3.26Å; T309-E313 WeakPolarHBondContact O-CB 3.4Å; T309-E313 PolarHBondContact O-N 3.15Å; T309-R314 PolarHBondContact O-N 3.48Å
310L79Confident76.8Confident69 Ų6995.9 Ų95.936%0.36146%0.463SS..Iπ-helixtrans-62.5-40.6172.3-72.2173.6000111.9I306 I307 L308 R314 Q315I306-L310 HydrophobicContact CG2-CD1 3.98Å; I306-L310 HydrophobicContact CG2-CG 4.41Å; I306-L310 WeakPolarHBondContact O-CB 3.44Å; I306-L310 WeakPolarHBondContact O-CG 3.28Å; I306-L310 PolarHBondContact O-N 3.05Å; I307-L310 PolarHBondContact O-N 3.4Å; L308-L310 VanDerWaalsContact C-N 3.34Å; L308-L310 PolarHBondContact O-N 3.15Å; L310-R314 HydrophobicContact CD2-CB 4.35Å; L310-R314 HydrophobicContact CD2-CG 4.14Å; L310-R314 WeakPolarHBondContact O-CB 3.39Å; L310-R314 PolarHBondContact O-N 3.12Å; L310-Q315 PolarHBondContact O-N 3.38Å
311Y80.2Confident75.6Confident158 Ų15894.6 Ų94.662%0.6247%0.466SS*.Iπ-helixtrans-74.8-41.5-178.9-161.7-96000112.8I307 L308 T309I307-Y311 WeakPolarHBondContact O-CB 2.92Å; I307-Y311 PolarHBondContact O-N 2.87Å; L308-Y311 PolarHBondContact O-N 2.98Å; L308-Y311 VanDerWaalsContact O-N 3.14Å; T309-Y311 VanDerWaalsContact C-N 3.33Å; T309-Y311 PolarHBondContact O-N 3.26Å
312T78.8Confident74.8Confident79 Ų7997.2 Ų97.249%0.48548%0.484SS..Iπ-helixtrans-84.2-37.6-175.458.60000113.2L308 P316L308-T312 HydrophobicContact CD2-CG2 4.28Å; L308-T312 WeakPolarHBondContact O-CB 3.43Å; L308-T312 WeakPolarHBondContact O-CG2 3.33Å; L308-T312 PolarHBondContact O-N 3.02Å; L308-T312 PolarHBondContact O-OG1 3.3Å; T312-P316 WeakPolarHBondContact O-CG 3.36Å
313E67.8Low74.2Confident111 Ų111100.2 Ų100.252%0.51949%0.493SS..Iπ-helixtrans-103.3-47.3-176.4-66.5-164.1162.600113.5T309 K317T309-E313 WeakPolarHBondContact O-CB 3.4Å; T309-E313 PolarHBondContact O-N 3.15Å; E313-K317 WeakPolarHBondContact O-CB 3.34Å; E313-K317 WeakPolarHBondContact O-CD 3.49Å; E313-K317 VanDerWaalsContact O-CG 3.26Å; E313-K317 WeakPolarHBondContact O-CG 3.34Å; E313-K317 PolarHBondContact O-N 3.27Å
314R59.6Low73Confident151 Ų15196.9 Ų96.957%0.5750%0.496SS*.Iπ-helixtrans-78.1-44.4-172.5-75.6-156-172.8164.7-6.9113T309 L310 K317 M318T309-R314 PolarHBondContact O-N 3.48Å; L310-R314 HydrophobicContact CD2-CB 4.35Å; L310-R314 HydrophobicContact CD2-CG 4.14Å; L310-R314 WeakPolarHBondContact O-CB 3.39Å; L310-R314 PolarHBondContact O-N 3.12Å; R314-K317 PolarHBondContact O-N 3.36Å; R314-M318 HydrophobicContact CB-CE 4.44Å; R314-M318 WeakPolarHBondContact O-CB 3.47Å; R314-M318 WeakPolarHBondContact O-CG 3.32Å; R314-M318 PolarHBondContact O-N 2.9Å
315Q62.3Low71.4Confident77 Ų7795.8 Ų95.836%0.3650%0.495SS..Hα-helixtrans-55.7-50.2179.8-94.6-134.31.200113.8L310 R319L310-Q315 PolarHBondContact O-N 3.38Å; Q315-R319 VanDerWaalsContact O-CB 3.31Å; Q315-R319 WeakPolarHBondContact O-CB 3.43Å; Q315-R319 VanDerWaalsContact O-CG 3.31Å; Q315-R319 WeakPolarHBondContact O-CG 3.15Å; Q315-R319 PolarHBondContact O-N 3.03Å
316P61.4Low70Confident57 Ų5799.6 Ų99.637%0.3752%0.521SS..Hα-helixtrans-67.9-39.5179.323.4-30.8000112.1T312 R319 L320T312-P316 WeakPolarHBondContact O-CG 3.36Å; P316-R319 PolarHBondContact O-N 3.16Å; P316-L320 WeakPolarHBondContact O-CB 3.44Å; P316-L320 WeakPolarHBondContact O-CD1 3.02Å; P316-L320 VanDerWaalsContact O-CG 3.26Å; P316-L320 WeakPolarHBondContact O-CG 3.36Å; P316-L320 PolarHBondContact O-N 3.09Å
317K63.9Low68.7Low139 Ų139101.9 Ų101.960%0.60453%0.533SS*.Hα-helixtrans-63.4-42.5176.4-73.1179-179175.30112.3E313 R314 L320 A321E313-K317 WeakPolarHBondContact O-CB 3.34Å; E313-K317 WeakPolarHBondContact O-CD 3.49Å; E313-K317 VanDerWaalsContact O-CG 3.26Å; E313-K317 WeakPolarHBondContact O-CG 3.34Å; E313-K317 PolarHBondContact O-N 3.27Å; R314-K317 PolarHBondContact O-N 3.36Å; K317-L320 PolarHBondContact O-N 3.12Å; K317-A321 WeakPolarHBondContact O-CB 3.24Å; K317-A321 PolarHBondContact O-N 3.32Å
318M61.7Low66.8Low121 Ų121110.7 Ų110.760%0.59657%0.568SS**Hα-helixtrans-68.3-38.9174.7-71.1-159.5-163.800112.1R314 L320 A321 A322R314-M318 HydrophobicContact CB-CE 4.44Å; R314-M318 WeakPolarHBondContact O-CB 3.47Å; R314-M318 WeakPolarHBondContact O-CG 3.32Å; R314-M318 PolarHBondContact O-N 2.9Å; M318-L320 VanDerWaalsContact C-N 3.33Å; M318-A321 PolarHBondContact O-N 3.35Å; M318-A322 VanDerWaalsContact O-CB 3.23Å; M318-A322 WeakPolarHBondContact O-CB 3.4Å; M318-A322 PolarHBondContact O-N 3Å
319R65.9Low65.9Low158 Ų158112.6 Ų112.660%0.59658%0.578SS**Hα-helixtrans-64.5-37173.8-79.4178.9177176.31.2112.1Q315 P316 K323Q315-R319 VanDerWaalsContact O-CB 3.31Å; Q315-R319 WeakPolarHBondContact O-CB 3.43Å; Q315-R319 VanDerWaalsContact O-CG 3.31Å; Q315-R319 WeakPolarHBondContact O-CG 3.15Å; Q315-R319 PolarHBondContact O-N 3.03Å; P316-R319 PolarHBondContact O-N 3.16Å; R319-K323 WeakPolarHBondContact O-CB 3.46Å; R319-K323 VanDerWaalsContact O-CG 3.23Å; R319-K323 WeakPolarHBondContact O-CG 3.39Å; R319-K323 PolarHBondContact O-N 3.03Å
320L64.9Low65.2Low59 Ų59116 Ų11631%0.30959%0.593SS.*Hα-helixtrans-69.6-44.4175.2-75.6161.7000111.3P316 K317 M318 A322 K323 G324 L325 I327P316-L320 WeakPolarHBondContact O-CB 3.44Å; P316-L320 WeakPolarHBondContact O-CD1 3.02Å; P316-L320 VanDerWaalsContact O-CG 3.26Å; P316-L320 WeakPolarHBondContact O-CG 3.36Å; P316-L320 PolarHBondContact O-N 3.09Å; K317-L320 PolarHBondContact O-N 3.12Å; M318-L320 VanDerWaalsContact C-N 3.33Å; L320-A322 PolarHBondContact O-N 3.25Å; L320-K323 CarbonylContact O-C 3.52Å; L320-K323 WeakPolarHBondContact O-CA 3.48Å; L320-K323 PolarHBondContact O-N 3.27Å; L320-K323 VanDerWaalsContact O-N 3.13Å; L320-G324 PolarHBondContact O-N 3.49Å; L320-L325 CarbonylContact C-O 3.59Å; L320-L325 HydrophobicContact CD2-CB 4.18Å; L320-L325 HydrophobicContact CD2-CD1 4.31Å; L320-L325 PolarHBondContact O-N 3.41Å; L320-I327 HydrophobicContact CD1-CD1 3.8Å
321A66.4Low64.5Low68 Ų68118.6 Ų118.656%0.56261%0.606SS**Hα-helixtrans-61.8-42.3174.100000112.3K317 M318 K323 G324K317-A321 WeakPolarHBondContact O-CB 3.24Å; K317-A321 PolarHBondContact O-N 3.32Å; M318-A321 PolarHBondContact O-N 3.35Å; A321-K323 VanDerWaalsContact C-N 3.26Å; A321-K323 PolarHBondContact O-N 2.96Å; A321-G324 PolarHBondContact O-N 3.17Å
322A71.4Confident63.5Low91 Ų91116.3 Ų116.375%0.75261%0.605SS**Hα-helixtrans-66.1-27.7174.800000112.8M318 L320 G324M318-A322 VanDerWaalsContact O-CB 3.23Å; M318-A322 WeakPolarHBondContact O-CB 3.4Å; M318-A322 PolarHBondContact O-N 3Å; L320-A322 PolarHBondContact O-N 3.25Å; A322-G324 PolarHBondContact O-N 3.1Å
323K76.7Confident62.6Low166 Ų166118.6 Ų118.672%0.72261%0.612SS**THydrogen-bonded Turntrans-82.54.6170.9-73.4178.7178.3-170.40113.4R319 L320 A321 L325R319-K323 WeakPolarHBondContact O-CB 3.46Å; R319-K323 VanDerWaalsContact O-CG 3.23Å; R319-K323 WeakPolarHBondContact O-CG 3.39Å; R319-K323 PolarHBondContact O-N 3.03Å; L320-K323 CarbonylContact O-C 3.52Å; L320-K323 WeakPolarHBondContact O-CA 3.48Å; L320-K323 PolarHBondContact O-N 3.27Å; L320-K323 VanDerWaalsContact O-N 3.13Å; A321-K323 VanDerWaalsContact C-N 3.26Å; A321-K323 PolarHBondContact O-N 2.96Å; K323-L325 HydrophobicContact CB-CD1 4.5Å; K323-L325 PolarHBondContact O-N 2.73Å
324G63.1Low62.2Low62 Ų62119.1 Ų119.164%0.63962%0.619SS**THydrogen-bonded Turntrans71.810.9-179.600000114.7L320 A321 A322 V326L320-G324 PolarHBondContact O-N 3.49Å; A321-G324 PolarHBondContact O-N 3.17Å; A322-G324 PolarHBondContact O-N 3.1Å; G324-V326 PolarHBondContact O-N 2.84Å
325L57.4Low62.4Low104 Ų104116.9 Ų116.955%0.54562%0.622SS.*  trans-92.795.3177.1-81.7152.7000109.2L320 K323 I327L320-L325 CarbonylContact C-O 3.59Å; L320-L325 HydrophobicContact CD2-CB 4.18Å; L320-L325 HydrophobicContact CD2-CD1 4.31Å; L320-L325 PolarHBondContact O-N 3.41Å; K323-L325 HydrophobicContact CB-CD1 4.5Å; K323-L325 PolarHBondContact O-N 2.73Å; L325-I327 PolarHBondContact O-N 3.2Å
326V54.2Low62.4Low132 Ų132119.9 Ų119.980%0.864%0.642SS**  trans-81.8107.6168.7-172.80000107.5G324 K328G324-V326 PolarHBondContact O-N 2.84Å; V326-K328 PolarHBondContact O-N 3.48Å
327I58.5Low62.5Low135 Ų135125.2 Ų125.269%0.69267%0.665SS**  trans-75.7120.3169.2-55.6176.4000106.7L320 L325L320-I327 HydrophobicContact CD1-CD1 3.8Å; L325-I327 PolarHBondContact O-N 3.2Å
328K46.3Very low62.4Low267 Ų267123.9 Ų123.9100%1.16167%0.67SS**  trans-74.40177.5-134.3-178.9-172.5-178.80111.6V326V326-K328 PolarHBondContact O-N 3.48Å

Retrieved 328 of 328 residues in 277.5 ms (Link to these results)