A0A087YFU0_POEFO Loading...

C-X-C chemokine receptor type 2

Receptor for interleukin-8 which is a powerful neutrophil chemotactic factor. Binding of IL-8 to the receptor causes activation of neutrophils. This response is mediated via a G-protein that activates a phosphatidylinositol-calcium second messenger system. Binds to IL-8 with high affinity. Also binds with high affinity to CXCL3, GRO/MGSA and NAP-2.

AlphaFold DB , UniProt , Accession A0A087YFU0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 386 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
1M40.7Very low51.9Low201 Ų20183.5 Ų83.599%0.9943%0.429SS*.  0-62.80-85.9165.754.400113.1L3 L4 A5M1-L3 PolarHBondContact O-N 3.49Å; M1-L4 PolarHBondContact O-N 3.42Å; M1-A5 WeakPolarHBondContact O-CB 3.36Å; M1-A5 PolarHBondContact O-N 3.33Å
2K44.8Very low52.7Low194 Ų19484.4 Ų84.484%0.84344%0.436SS*.Hα-helixtrans-59.2-41.4-179-67.7-171.5177.7-173.40114.7F6K2-F6 VanDerWaalsContact O-CB 3.23Å; K2-F6 WeakPolarHBondContact O-CB 3.41Å; K2-F6 PolarHBondContact O-N 3.14Å
3L46.6Very low53Low79 Ų7991.1 Ų91.141%0.41445%0.454SS..Hα-helixtrans-68.2-41.6176.8-175.169.2000112.8M1 F6 L7 V335M1-L3 PolarHBondContact O-N 3.49Å; L3-F6 WeakPolarHBondContact O-CB 3.34Å; L3-F6 PolarHBondContact O-N 3.46Å; L3-L7 HydrophobicContact CG-CD1 4.15Å; L3-L7 WeakPolarHBondContact O-CB 3.48Å; L3-L7 VanDerWaalsContact O-CG 3.3Å; L3-L7 WeakPolarHBondContact O-CG 3.37Å; L3-L7 PolarHBondContact O-N 3.32Å; L3-V335 HydrophobicContact CD2-CG1 3.67Å; L3-V335 HydrophobicContact CD2-CG2 4.35Å
4L49.9Very low53.1Low28 Ų2888.3 Ų88.315%0.14744%0.441CS..Hα-helixtrans-66.6-41.3176.4-109.6112.2000111.8M1 F6 L7 M8 F285 V332M1-L4 PolarHBondContact O-N 3.42Å; L4-F6 VanDerWaalsContact C-N 3.31Å; L4-L7 PolarHBondContact O-N 3.08Å; L4-M8 WeakPolarHBondContact O-CB 3.38Å; L4-M8 VanDerWaalsContact O-CG 3.31Å; L4-M8 WeakPolarHBondContact O-CG 3.33Å; L4-M8 PolarHBondContact O-N 3.42Å; L4-F285 HydrophobicContact CD2-CD1 3.22Å; L4-F285 HydrophobicContact CD2-CE1 3.48Å; L4-F285 VanDerWaalsContact CD2-CE1 3.48Å; L4-F285 HydrophobicContact CD2-CG 4.22Å; L4-V332 HydrophobicContact CD1-CB 4.41Å; L4-V332 HydrophobicContact CD1-CG1 3.73Å; L4-V332 HydrophobicContact CD1-CG2 3.72Å; L4-V332 HydrophobicContact CG-CG2 4.37Å
5A51.7Low53.4Low51 Ų5182.9 Ų82.942%0.42141%0.414SS..Hα-helixtrans-64.8-36.7173.900000111.7M1 M8 C9M1-A5 WeakPolarHBondContact O-CB 3.36Å; M1-A5 PolarHBondContact O-N 3.33Å; A5-M8 PolarHBondContact O-N 3.43Å; A5-C9 VanDerWaalsContact O-CB 3.24Å; A5-C9 WeakPolarHBondContact O-CB 3.28Å; A5-C9 PolarHBondContact O-N 3.23Å
6F52.3Low53.4Low126 Ų12683.6 Ų83.655%0.55342%0.419SS*.Hα-helixtrans-66-44.2173.9-179.3-106.7000111.9K2 L3 L4 C9 I10K2-F6 VanDerWaalsContact O-CB 3.23Å; K2-F6 WeakPolarHBondContact O-CB 3.41Å; K2-F6 PolarHBondContact O-N 3.14Å; L3-F6 WeakPolarHBondContact O-CB 3.34Å; L3-F6 PolarHBondContact O-N 3.46Å; L4-F6 VanDerWaalsContact C-N 3.31Å; F6-C9 PolarHBondContact O-N 2.94Å; F6-I10 HydrophobicContact CD1-CD1 3.68Å; F6-I10 HydrophobicContact CE1-CD1 3.26Å; F6-I10 HydrophobicContact CE1-CG1 4.41Å; F6-I10 HydrophobicContact CE2-CD1 4.15Å; F6-I10 HydrophobicContact CG-CD1 4.3Å; F6-I10 HydrophobicContact CZ-CD1 3.53Å; F6-I10 HydrophobicContact CZ-CG1 4.4Å; F6-I10 WeakPolarHBondContact O-CB 3.45Å; F6-I10 WeakPolarHBondContact O-CG1 3.26Å; F6-I10 PolarHBondContact O-N 3.24Å
7L54Low52.9Low32 Ų3282.6 Ų82.617%0.16842%0.419CS..Hα-helixtrans-63.8-40.9174.5-72.5164.7000111.8L3 L4 C9 I10 M11 L328 M331L3-L7 HydrophobicContact CG-CD1 4.15Å; L3-L7 WeakPolarHBondContact O-CB 3.48Å; L3-L7 VanDerWaalsContact O-CG 3.3Å; L3-L7 WeakPolarHBondContact O-CG 3.37Å; L3-L7 PolarHBondContact O-N 3.32Å; L4-L7 PolarHBondContact O-N 3.08Å; L7-C9 VanDerWaalsContact C-N 3.35Å; L7-I10 PolarHBondContact O-N 3.24Å; L7-M11 WeakPolarHBondContact O-CB 3.2Å; L7-M11 VanDerWaalsContact O-CG 3.31Å; L7-M11 WeakPolarHBondContact O-CG 3.41Å; L7-M11 PolarHBondContact O-N 3.48Å; L7-L328 HydrophobicContact CB-CD1 4.31Å; L7-L328 HydrophobicContact CD1-CD2 4.36Å; L7-L328 HydrophobicContact CD2-CD2 4.45Å; L7-M331 HydrophobicContact CD1-CE 3.65Å; L7-M331 HydrophobicContact CD2-CE 4.23Å
8M58.2Low52.5Low58 Ų5881.2 Ų81.229%0.28641%0.412SS..Hα-helixtrans-66.9-34.8173.7-74.9-168.8-67.500113L4 A5 M11 N12 F285L4-M8 WeakPolarHBondContact O-CB 3.38Å; L4-M8 VanDerWaalsContact O-CG 3.31Å; L4-M8 WeakPolarHBondContact O-CG 3.33Å; L4-M8 PolarHBondContact O-N 3.42Å; A5-M8 PolarHBondContact O-N 3.43Å; M8-M11 PolarHBondContact O-N 3.03Å; M8-N12 WeakPolarHBondContact O-CB 3.5Å; M8-N12 PolarHBondContact O-N 3.34Å; M8-F285 HydrophobicContact CE-CE1 3.81Å; M8-F285 HydrophobicContact CE-CE2 4.46Å; M8-F285 HydrophobicContact CE-CZ 3.43Å; M8-F285 VanDerWaalsContact CE-CZ 3.43Å; M8-F285 HydrophobicContact SD-CE1 3.5Å; M8-F285 VanDerWaalsContact SD-CE1 3.5Å; M8-F285 HydrophobicContact SD-CZ 3.31Å; M8-F285 WeakPolarHBondContact SD-CZ 3.29Å
9C55.9Low52Low84 Ų8483.5 Ų83.557%0.56842%0.421SS*.Hα-helixtrans-68-42.5175.1-162.90000110.7A5 F6 L7 M11 N12 Y13A5-C9 VanDerWaalsContact O-CB 3.24Å; A5-C9 WeakPolarHBondContact O-CB 3.28Å; A5-C9 PolarHBondContact O-N 3.23Å; F6-C9 PolarHBondContact O-N 2.94Å; L7-C9 VanDerWaalsContact C-N 3.35Å; C9-M11 VanDerWaalsContact C-N 3.35Å; C9-N12 PolarHBondContact O-N 2.86Å; C9-Y13 VanDerWaalsContact O-CB 3.3Å; C9-Y13 WeakPolarHBondContact O-CB 3.29Å; C9-Y13 PolarHBondContact O-N 3.24Å
10I56.7Low51.4Low59 Ų5988.1 Ų88.130%0.30344%0.441SS..Hα-helixtrans-62.2-42.9172.3-72.9170.9000110.7F6 L7 Y13 L14F6-I10 HydrophobicContact CD1-CD1 3.68Å; F6-I10 HydrophobicContact CE1-CD1 3.26Å; F6-I10 HydrophobicContact CE1-CG1 4.41Å; F6-I10 HydrophobicContact CE2-CD1 4.15Å; F6-I10 HydrophobicContact CG-CD1 4.3Å; F6-I10 HydrophobicContact CZ-CD1 3.53Å; F6-I10 HydrophobicContact CZ-CG1 4.4Å; F6-I10 WeakPolarHBondContact O-CB 3.45Å; F6-I10 WeakPolarHBondContact O-CG1 3.26Å; F6-I10 PolarHBondContact O-N 3.24Å; L7-I10 PolarHBondContact O-N 3.24Å; I10-Y13 PolarHBondContact O-N 3.11Å; I10-L14 HydrophobicContact CG2-CD1 3.5Å; I10-L14 HydrophobicContact CG2-CG 4.2Å; I10-L14 VanDerWaalsContact O-CB 3.31Å; I10-L14 WeakPolarHBondContact O-CB 3.5Å; I10-L14 VanDerWaalsContact O-CG 3.23Å; I10-L14 WeakPolarHBondContact O-CG 3.1Å; I10-L14 PolarHBondContact O-N 3.34Å
11M59.9Low50.7Low6 Ų690.5 Ų90.53%0.0345%0.451CS..Hα-helixtrans-63.2-47.8175.3-79.1-179.260.500111.8L7 M8 C9 Y13 L14 L15 V321 V324 I325 L328L7-M11 WeakPolarHBondContact O-CB 3.2Å; L7-M11 VanDerWaalsContact O-CG 3.31Å; L7-M11 WeakPolarHBondContact O-CG 3.41Å; L7-M11 PolarHBondContact O-N 3.48Å; M8-M11 PolarHBondContact O-N 3.03Å; C9-M11 VanDerWaalsContact C-N 3.35Å; M11-Y13 VanDerWaalsContact C-N 3.26Å; M11-Y13 PolarHBondContact O-N 3.4Å; M11-L14 PolarHBondContact O-N 3.13Å; M11-L15 HydrophobicContact CB-CD1 3.96Å; M11-L15 HydrophobicContact CE-CD1 3.75Å; M11-L15 HydrophobicContact CG-CD1 4.48Å; M11-L15 WeakPolarHBondContact O-CB 3.32Å; M11-L15 WeakPolarHBondContact O-CD1 3.34Å; M11-L15 WeakPolarHBondContact O-CG 3.38Å; M11-L15 PolarHBondContact O-N 3.47Å; M11-V321 HydrophobicContact CE-CG1 4.36Å; M11-V321 WeakPolarHBondContact CE-O 3.39Å; M11-V324 HydrophobicContact CE-CB 3.49Å; M11-V324 VanDerWaalsContact CE-CB 3.49Å; M11-V324 HydrophobicContact CE-CG1 3.41Å; M11-V324 VanDerWaalsContact CE-CG1 3.41Å; M11-V324 HydrophobicContact CE-CG2 4.48Å; M11-V324 HydrophobicContact CG-CG1 4.25Å; M11-V324 HydrophobicContact SD-CB 4.26Å; M11-V324 HydrophobicContact SD-CG1 3.55Å; M11-V324 VanDerWaalsContact SD-CG1 3.55Å; M11-I325 HydrophobicContact CE-CD1 4.44Å; M11-I325 HydrophobicContact CE-CG1 3.71Å; M11-I325 HydrophobicContact SD-CG1 3.98Å; M11-L328 HydrophobicContact SD-CD1 3.58Å; M11-L328 VanDerWaalsContact SD-CD1 3.58Å
12N61.9Low50.5Low95 Ų9584.3 Ų84.351%0.50842%0.42SS..Hα-helixtrans-59.3-40.4175.6-89.1-2.2000111.6M8 C9 L16M8-N12 WeakPolarHBondContact O-CB 3.5Å; M8-N12 PolarHBondContact O-N 3.34Å; C9-N12 PolarHBondContact O-N 2.86Å; N12-L16 HydrophobicContact CB-CD1 4.25Å; N12-L16 VanDerWaalsContact O-CB 3.24Å; N12-L16 WeakPolarHBondContact O-CB 3.35Å; N12-L16 WeakPolarHBondContact O-CG 3.27Å; N12-L16 PolarHBondContact O-N 3.16Å
13Y57Low50Low171 Ų17183 Ų8367%0.67141%0.414SS*.Hα-helixtrans-67.6-38176.9-174.9-97.4000112.4C9 I10 M11 T17C9-Y13 VanDerWaalsContact O-CB 3.3Å; C9-Y13 WeakPolarHBondContact O-CB 3.29Å; C9-Y13 PolarHBondContact O-N 3.24Å; I10-Y13 PolarHBondContact O-N 3.11Å; M11-Y13 VanDerWaalsContact C-N 3.26Å; M11-Y13 PolarHBondContact O-N 3.4Å; Y13-T17 WeakPolarHBondContact O-CG2 3.21Å
14L54.1Low49.2Very low52 Ų5282.1 Ų82.127%0.27241%0.414SS..Hα-helixtrans-85.1-19.9-178.1-69173.4000114.2I10 M11 A63 I67I10-L14 HydrophobicContact CG2-CD1 3.5Å; I10-L14 HydrophobicContact CG2-CG 4.2Å; I10-L14 VanDerWaalsContact O-CB 3.31Å; I10-L14 WeakPolarHBondContact O-CB 3.5Å; I10-L14 VanDerWaalsContact O-CG 3.23Å; I10-L14 WeakPolarHBondContact O-CG 3.1Å; I10-L14 PolarHBondContact O-N 3.34Å; M11-L14 PolarHBondContact O-N 3.13Å; L14-A63 HydrophobicContact CB-CB 4.3Å; L14-A63 HydrophobicContact CD1-CB 4.5Å; L14-A63 HydrophobicContact CD2-CB 4.47Å; L14-I67 HydrophobicContact CD1-CD1 4.16Å
15L56.7Low48.2Very low7 Ų787.2 Ų87.24%0.03744%0.437CS..Hα-helixtrans-101.4-11.2-176.4-58.5169.1000113.3M11 F59 L64 V321M11-L15 HydrophobicContact CB-CD1 3.96Å; M11-L15 HydrophobicContact CE-CD1 3.75Å; M11-L15 HydrophobicContact CG-CD1 4.48Å; M11-L15 WeakPolarHBondContact O-CB 3.32Å; M11-L15 WeakPolarHBondContact O-CD1 3.34Å; M11-L15 WeakPolarHBondContact O-CG 3.38Å; M11-L15 PolarHBondContact O-N 3.47Å; L15-F59 HydrophobicContact CB-CE1 4.33Å; L15-F59 HydrophobicContact CD1-CE1 4.38Å; L15-F59 HydrophobicContact CD2-CD1 3.43Å; L15-F59 VanDerWaalsContact CD2-CD1 3.43Å; L15-F59 HydrophobicContact CD2-CE1 3.6Å; L15-F59 HydrophobicContact CG-CD1 4.48Å; L15-F59 HydrophobicContact CG-CE1 4.3Å; L15-L64 HydrophobicContact CD2-CD2 3.81Å; L15-L64 HydrophobicContact CD2-CG 4.44Å; L15-V321 HydrophobicContact CD1-CG2 4.08Å
16L53.4Low47.3Very low94 Ų9490.2 Ų90.249%0.49245%0.451SS..Hα-helixtrans-119.6-3-174.7-61.6169000114.8N12 N18 Q19N12-L16 HydrophobicContact CB-CD1 4.25Å; N12-L16 VanDerWaalsContact O-CB 3.24Å; N12-L16 WeakPolarHBondContact O-CB 3.35Å; N12-L16 WeakPolarHBondContact O-CG 3.27Å; N12-L16 PolarHBondContact O-N 3.16Å; L16-N18 VanDerWaalsContact C-N 3.27Å; L16-N18 PolarHBondContact O-N 2.92Å; L16-Q19 PolarHBondContact O-N 3.49Å
17T46.2Very low46.1Very low68 Ų6892.5 Ų92.542%0.41746%0.46SS..THydrogen-bonded Turntrans-68.4-17.9-175.741.90000115Y13Y13-T17 WeakPolarHBondContact O-CG2 3.21Å
18N44.7Very low44.8Very low56 Ų5698.2 Ų98.230%0.29949%0.486SS..Hα-helixtrans-88.8-0.8-178-84.917.9000114.9L16 E20 Q22L16-N18 VanDerWaalsContact C-N 3.27Å; L16-N18 PolarHBondContact O-N 2.92Å; N18-E20 VanDerWaalsContact C-N 3.3Å; N18-E20 PolarHBondContact O-N 3.35Å; N18-Q22 PolarHBondContact O-N 3.19Å
19Q43.3Very low43.4Very low125 Ų125104.2 Ų104.258%0.58451%0.513SS*.Hα-helixtrans-69.9-24.1177.5-76.8-147.4-42.400113.7L16 K23L16-Q19 PolarHBondContact O-N 3.49Å; Q19-K23 WeakPolarHBondContact O-CB 3.31Å
20E40.1Very low42.1Very low175 Ų175104.9 Ų104.982%0.81852%0.519SS*.Hα-helixtrans-85.7-39.6-179.9-74.4-174161.700112.9N18 S24N18-E20 VanDerWaalsContact C-N 3.3Å; N18-E20 PolarHBondContact O-N 3.35Å; E20-S24 PolarHBondContact O-OG 2.93Å
21E37.3Very low40.7Very low140 Ų140112.5 Ų112.565%0.65454%0.544SS*.Hα-helixtrans-71.6-37.8-178.6-99.2175.8167.400113.2S24 E25E21-S24 VanDerWaalsContact C-OG 3.31Å; E21-S24 WeakPolarHBondContact O-CB 3.41Å; E21-S24 PolarHBondContact O-N 3.25Å; E21-S24 PolarHBondContact O-OG 2.88Å; E21-E25 PolarHBondContact O-N 2.79Å
22Q35.9Very low39.4Very low70 Ų70117 Ų11733%0.32758%0.576SS.*Hα-helixtrans-82.4-21.8-175-143.2158-700112.9N18 S24 E25 V26 P57N18-Q22 PolarHBondContact O-N 3.19Å; Q22-S24 PolarHBondContact O-N 3.11Å; Q22-E25 PolarHBondContact O-N 3Å; Q22-V26 WeakPolarHBondContact O-CG2 3.31Å; Q22-V26 PolarHBondContact O-N 3.46Å; Q22-V26 VanDerWaalsContact O-N 3.1Å; Q22-P57 VanDerWaalsContact CD-CB 3.41Å; Q22-P57 HydrophobicContact CG-CB 4.42Å
23K34.9Very low37.7Very low166 Ų166118.3 Ų118.372%0.72259%0.593SS**Hα-helixtrans-70.1-22.1170.6-157.7175.3-1711770112.1Q19Q19-K23 WeakPolarHBondContact O-CB 3.31Å
24S28.2Very low36.5Very low61 Ų61115.9 Ų115.943%0.42760%0.598SS.*Hα-helixtrans-77.1-41.3169.912.80000112.5E20 E21 Q22 K27E20-S24 PolarHBondContact O-OG 2.93Å; E21-S24 VanDerWaalsContact C-OG 3.31Å; E21-S24 WeakPolarHBondContact O-CB 3.41Å; E21-S24 PolarHBondContact O-N 3.25Å; E21-S24 PolarHBondContact O-OG 2.88Å; Q22-S24 PolarHBondContact O-N 3.11Å; S24-K27 PolarHBondContact O-N 3.25Å
25E29.4Very low35.7Very low135 Ų135122 Ų12263%0.63163%0.625SS**Hα-helixtrans-70.1-42.8-179.5-77.9-179.3154.300112.9E21 Q22 K27 Q28E21-E25 PolarHBondContact O-N 2.79Å; Q22-E25 PolarHBondContact O-N 3Å; E25-K27 PolarHBondContact O-N 2.92Å; E25-Q28 PolarHBondContact O-N 3.31Å
26V33.5Very low34.4Very low115 Ų115129.2 Ų129.270%0.69766%0.664SS**THydrogen-bonded Turntrans-64.9-22.7177.4175.50000112.4Q22Q22-V26 WeakPolarHBondContact O-CG2 3.31Å; Q22-V26 PolarHBondContact O-N 3.46Å; Q22-V26 VanDerWaalsContact O-N 3.1Å
27K27Very low33.6Very low173 Ų173131.5 Ų131.575%0.75268%0.677SS**THydrogen-bonded Turntrans-80.8-16.2176.8-120.7179.1-179.5-176.60113.6S24 E25S24-K27 PolarHBondContact O-N 3.25Å; E25-K27 PolarHBondContact O-N 2.92Å
28Q26.6Very low32.8Very low152 Ų152134.1 Ų134.171%0.7169%0.693SS**THydrogen-bonded Turntrans-97.6-14.3-167.7-152.2151-30.700113.7E25E25-Q28 PolarHBondContact O-N 3.31Å
29E29.7Very low32.2Very low184 Ų184142.2 Ų142.286%0.8672%0.721SS**SBendtrans-86.2-1.1173.5-71.6-171.4157.100114.3W31E29-W31 PolarHBondContact O-N 3.18Å
30S28.3Very low31.5Very low99 Ų99144.1 Ų144.169%0.69273%0.731SS**  trans-91.571.7173-167.20000111.3
31W27.1Very low31.1Very low219 Ų219146.3 Ų146.383%0.8373%0.734SS**  trans-137.4101.2163.4-78.999.7000112.6E29E29-W31 PolarHBondContact O-N 3.18Å
32S31.5Very low30.8Very low99 Ų99143.4 Ų143.469%0.69273%0.733SS**  trans54.6117.1136.656.60000121.3
33S26Very low30.6Very low123 Ų123145.4 Ų145.486%0.8675%0.746SS**  trans-160.2160.3138.3-970000112.3
34P32.1Very low30.4Very low121 Ų121145.4 Ų145.479%0.78675%0.754SS**  trans-92.9163.7-130.634.3-34000115.2
35E38.8Very low30.9Very low181 Ų181151.4 Ų151.485%0.84677%0.769SS**  trans-41.8130174.2-62174.3158.900113.6
36N27.9Very low31.2Very low157 Ų157150.7 Ų150.784%0.8477%0.77SS**  trans-146.2119.3146.3-149.97.7000110.5
37N36.3Very low31.5Very low143 Ų143154 Ų15477%0.76578%0.778SS**  trans-79.3123.9-176.2-63.2-35000110.2
38T29.7Very low32.3Very low123 Ų123152.1 Ų152.176%0.75578%0.776SS**  trans-149.1116.7154.1-42.90000111.3
39Y33.1Very low33.1Very low226 Ų226149 Ų14989%0.88677%0.771SS**  trans-1.1109.9169.7-57.6-84.2000120.5
40M28.5Very low33.9Very low164 Ų164144 Ų14481%0.80876%0.756SS**  trans-13.9112.3143-165.2173.4167.400117.3A42M40-A42 HydrophobicContact CE-CB 4.15Å; M40-A42 HydrophobicContact CG-CB 4.31Å
41Y32.5Very low35.4Very low222 Ų222144.9 Ų144.987%0.87176%0.759SS**  trans-114.3104.8132.4-103.8-94.9000105.6D43Y41-D43 VanDerWaalsContact C-N 3.31Å; Y41-D43 PolarHBondContact O-N 3.45Å; Y41-D43 VanDerWaalsContact O-N 3.09Å
42A30.2Very low37.1Very low78 Ų78136.7 Ų136.765%0.64574%0.735SS**  trans-7986.9173.500000107.5M40 D44M40-A42 HydrophobicContact CE-CB 4.15Å; M40-A42 HydrophobicContact CG-CB 4.31Å; A42-D44 PolarHBondContact O-N 2.95Å
43D30.9Very low38.1Very low112 Ų112138.8 Ų138.860%0.59974%0.738SS**  trans-70.4119.8156.3-80.5-32.6000106.6Y41 Y45Y41-D43 VanDerWaalsContact C-N 3.31Å; Y41-D43 PolarHBondContact O-N 3.45Å; Y41-D43 VanDerWaalsContact O-N 3.09Å; D43-Y45 HydrophobicContact CB-CD2 3.95Å; D43-Y45 HydrophobicContact CB-CE2 3.73Å; D43-Y45 WeakPolarHBondContact O-CD2 3.4Å; D43-Y45 PolarHBondContact O-N 2.99Å
44D31.9Very low39.4Very low167 Ų167137.4 Ų137.489%0.89373%0.725SS**  trans-67.673.9177.4-153.513.2000108A42 D46A42-D44 PolarHBondContact O-N 2.95Å; D44-D46 PolarHBondContact O-N 3.14Å; D44-D46 VanDerWaalsContact O-N 3.11Å
45Y37.4Very low40.2Very low186 Ų186137.4 Ų137.473%0.72972%0.717SS**  trans-69.8104.1168.3-79.3-80.9000106.8D43 E47D43-Y45 HydrophobicContact CB-CD2 3.95Å; D43-Y45 HydrophobicContact CB-CE2 3.73Å; D43-Y45 WeakPolarHBondContact O-CD2 3.4Å; D43-Y45 PolarHBondContact O-N 2.99Å; Y45-E47 PolarHBondContact O-N 3.03Å
46D36.8Very low40.8Very low121 Ų121130.8 Ų130.865%0.64769%0.689SS**  trans-47.7103.1168.1-142.3-15.6000107.8D44 N48 S49D44-D46 PolarHBondContact O-N 3.14Å; D44-D46 VanDerWaalsContact O-N 3.11Å; D46-N48 PolarHBondContact O-N 3.27Å; D46-S49 WeakPolarHBondContact O-CB 3.28Å; D46-S49 PolarHBondContact O-N 3.49Å; D46-S49 PolarHBondContact O-OG 3.45Å
47E39Very low41.7Very low185 Ų185125.6 Ų125.686%0.86466%0.664SS**THydrogen-bonded Turntrans-59.3-7.2-175.4-133.9177.2-174.100112.2Y45Y45-E47 PolarHBondContact O-N 3.03Å
48N43.5Very low42.5Very low133 Ų133119.3 Ų119.371%0.71163%0.633SS**THydrogen-bonded Turntrans-83.91.1174.9-102.943.4000115D46D46-N48 PolarHBondContact O-N 3.27Å
49S43.3Very low43.9Very low87 Ų87115.5 Ų115.561%0.60861%0.606SS**  trans-108.45.4-172.559.20000115.3D46D46-S49 WeakPolarHBondContact O-CB 3.28Å; D46-S49 PolarHBondContact O-N 3.49Å; D46-S49 PolarHBondContact O-OG 3.45Å
50S47.4Very low46Very low79 Ų79107.7 Ų107.755%0.55258%0.579SS**SBendtrans-73.9135.3165.556.30000109.9C52S50-C52 PolarHBondContact O-N 3.49Å
51P59.2Low48.5Very low116 Ų116101.7 Ų101.775%0.75355%0.554SS**PPolyproline II helixtrans-58.3126.2170.324.2-30.8000108D53P51-D53 PolarHBondContact O-N 3.12Å
52C62.6Low51Low47 Ų4795.5 Ų95.532%0.31854%0.535SS..PPolyproline II helixtrans-57.7125.1177.8-53.40000109.1S50 T54 C309S50-C52 PolarHBondContact O-N 3.49Å; C52-T54 PolarHBondContact O-N 3.32Å; C52-C309 HydrophobicContact CB-CB 3.78Å; C52-C309 WeakPolarHBondContact CB-SG 3.42Å; C52-C309 WeakPolarHBondContact SG-CA 3.49Å; C52-C309 WeakPolarHBondContact SG-CB 3.18Å; C52-C309 CovalentContact SG-SG 2.05Å; C52-C309 PolarHBondContact SG-SG 2.76Å
53D53.5Low53.6Low144 Ų14492.2 Ų92.277%0.7751%0.508SS*.  trans-63.4106.8172.8-86.3-34.7000109.4P51 I55P51-D53 PolarHBondContact O-N 3.12Å; D53-I55 PolarHBondContact O-N 3.22Å; D53-I55 VanDerWaalsContact O-N 3.15Å
54T53.2Low56.2Low93 Ų9387.3 Ų87.357%0.57148%0.481SS*.  trans-82.627177.957.60000112.1C52 V56C52-T54 PolarHBondContact O-N 3.32Å; T54-V56 PolarHBondContact O-N 2.77Å
55I49.3Very low59Low121 Ų12181 Ų8162%0.62145%0.447SS*.  trans-73.1112166.2-54.5177.1000103.9D53 P57D53-I55 PolarHBondContact O-N 3.22Å; D53-I55 VanDerWaalsContact O-N 3.15Å; I55-P57 WeakPolarHBondContact O-CD 3.42Å
56V51.4Low61.5Low43 Ų4375.4 Ų75.426%0.26143%0.433SS..  trans-91.684.1172.1-1710000108T54 G58 F59 Y313 V317T54-V56 PolarHBondContact O-N 2.77Å; V56-G58 PolarHBondContact O-N 2.79Å; V56-G58 VanDerWaalsContact O-N 3.14Å; V56-F59 HydrophobicContact CG1-CD2 3.67Å; V56-F59 HydrophobicContact CG1-CE2 3.77Å; V56-Y313 HydrophobicContact CB-CE2 4.33Å; V56-Y313 HydrophobicContact CG1-CE2 3.9Å; V56-Y313 HydrophobicContact CG2-CE2 4.45Å; V56-V317 HydrophobicContact CG1-CG2 3.62Å
57P46.7Very low64.1Low48 Ų4870.6 Ų70.631%0.31241%0.407SS..THydrogen-bonded Turntrans-64116.5173.127.1-34.6000107.9Q22 I55 Y313Q22-P57 VanDerWaalsContact CD-CB 3.41Å; Q22-P57 HydrophobicContact CG-CB 4.42Å; I55-P57 WeakPolarHBondContact O-CD 3.42Å; P57-Y313 PolarHBondContact O-OH 3.03Å
58G51.3Low66.7Low11 Ų1161.9 Ų61.911%0.11337%0.366CS..THydrogen-bonded Turntrans150.5-30.7175.200000115.9V56 N60V56-G58 PolarHBondContact O-N 2.79Å; V56-G58 VanDerWaalsContact O-N 3.14Å; G58-N60 PolarHBondContact O-N 2.78Å
59F61Low69.1Low42 Ų4258.8 Ų58.818%0.18435%0.349CS..  trans-87113.8-176.5-75-90000111.6L15 V56 S61 L64 V317 E320 V321L15-F59 HydrophobicContact CB-CE1 4.33Å; L15-F59 HydrophobicContact CD1-CE1 4.38Å; L15-F59 HydrophobicContact CD2-CD1 3.43Å; L15-F59 VanDerWaalsContact CD2-CD1 3.43Å; L15-F59 HydrophobicContact CD2-CE1 3.6Å; L15-F59 HydrophobicContact CG-CD1 4.48Å; L15-F59 HydrophobicContact CG-CE1 4.3Å; V56-F59 HydrophobicContact CG1-CD2 3.67Å; V56-F59 HydrophobicContact CG1-CE2 3.77Å; F59-S61 VanDerWaalsContact C-N 3.34Å; F59-S61 PolarHBondContact O-N 3.3Å; F59-L64 HydrophobicContact CB-CD1 4.48Å; F59-L64 HydrophobicContact CD1-CD1 4.18Å; F59-V317 HydrophobicContact CE2-CB 4.24Å; F59-V317 HydrophobicContact CE2-CG1 3.99Å; F59-V317 HydrophobicContact CE2-CG2 4.13Å; F59-V317 HydrophobicContact CZ-CB 4.5Å; F59-V317 HydrophobicContact CZ-CG1 3.98Å; F59-E320 HydrophobicContact CD1-CB 4.32Å; F59-E320 HydrophobicContact CE1-CB 3.63Å; F59-E320 HydrophobicContact CE2-CB 4.26Å; F59-E320 HydrophobicContact CZ-CB 3.61Å; F59-E320 HydrophobicContact CZ-CG 4.5Å; F59-V321 HydrophobicContact CE1-CG2 4.17Å; F59-V321 HydrophobicContact CZ-CG2 3.98Å
60N76.4Confident71.5Confident63 Ų6358.5 Ų58.534%0.33734%0.34SS..  trans-70.693.5166.7-173.5-20.9000109G58 L62 A63 L64G58-N60 PolarHBondContact O-N 2.78Å; N60-L62 PolarHBondContact O-N 3.49Å; N60-L62 VanDerWaalsContact OD1-CB 3.3Å; N60-L62 WeakPolarHBondContact OD1-CB 3.43Å; N60-L62 PolarHBondContact OD1-N 3.49Å; N60-L62 VanDerWaalsContact OD1-N 3.13Å; N60-A63 HydrophobicContact CB-CB 3.8Å; N60-A63 WeakPolarHBondContact O-CA 2.93Å; N60-A63 VanDerWaalsContact O-CB 3.3Å; N60-A63 WeakPolarHBondContact O-CB 3.44Å; N60-A63 PolarHBondContact O-N 3.12Å; N60-A63 PolarHBondContact OD1-N 3.12Å; N60-A63 VanDerWaalsContact OD1-N 3.1Å; N60-L64 PolarHBondContact O-N 3.3Å; N60-L64 VanDerWaalsContact O-N 3.1Å
61S81.4Confident73.7Confident38 Ų3854.8 Ų54.827%0.26631%0.314SS..Hα-helixtrans-56.4-32.1179.256.30000113.1F59 L64 L65 S121 H122F59-S61 VanDerWaalsContact C-N 3.34Å; F59-S61 PolarHBondContact O-N 3.3Å; S61-L64 PolarHBondContact O-N 3.15Å; S61-L65 PolarHBondContact O-N 3.36Å; S61-L65 VanDerWaalsContact O-N 3.11Å; S61-S121 WeakPolarHBondContact CB-O 3.31Å; S61-H122 PolarHBondContact OG-ND1 3.38Å
62L84.4Confident75.5Confident92 Ų9251.7 Ų51.748%0.48229%0.288SS..Hα-helixtrans-66.5-39.8173178.767.3000111.2N60 L65 V66N60-L62 PolarHBondContact O-N 3.49Å; N60-L62 VanDerWaalsContact OD1-CB 3.3Å; N60-L62 WeakPolarHBondContact OD1-CB 3.43Å; N60-L62 PolarHBondContact OD1-N 3.49Å; N60-L62 VanDerWaalsContact OD1-N 3.13Å; L62-L65 PolarHBondContact O-N 2.93Å; L62-V66 WeakPolarHBondContact O-CG2 3.29Å; L62-V66 PolarHBondContact O-N 3.35Å
63A85.1Confident77.1Confident9 Ų952.7 Ų52.77%0.07429%0.293CS..Hα-helixtrans-63.9-40.5175.700000111.9L14 N60 V66 I67L14-A63 HydrophobicContact CB-CB 4.3Å; L14-A63 HydrophobicContact CD1-CB 4.5Å; L14-A63 HydrophobicContact CD2-CB 4.47Å; N60-A63 HydrophobicContact CB-CB 3.8Å; N60-A63 WeakPolarHBondContact O-CA 2.93Å; N60-A63 VanDerWaalsContact O-CB 3.3Å; N60-A63 WeakPolarHBondContact O-CB 3.44Å; N60-A63 PolarHBondContact O-N 3.12Å; N60-A63 PolarHBondContact OD1-N 3.12Å; N60-A63 VanDerWaalsContact OD1-N 3.1Å; A63-V66 PolarHBondContact O-N 3.08Å; A63-I67 WeakPolarHBondContact O-CB 3.28Å; A63-I67 VanDerWaalsContact O-CG1 3.24Å; A63-I67 WeakPolarHBondContact O-CG1 3.26Å; A63-I67 PolarHBondContact O-N 3.03Å
64L86Confident79Confident8 Ų851.7 Ų51.74%0.04228%0.282CS..Hα-helixtrans-61.2-46175.6-69.7176.6000112.1L15 F59 N60 S61 V66 I67 Y68 V324L15-L64 HydrophobicContact CD2-CD2 3.81Å; L15-L64 HydrophobicContact CD2-CG 4.44Å; F59-L64 HydrophobicContact CB-CD1 4.48Å; F59-L64 HydrophobicContact CD1-CD1 4.18Å; N60-L64 PolarHBondContact O-N 3.3Å; N60-L64 VanDerWaalsContact O-N 3.1Å; S61-L64 PolarHBondContact O-N 3.15Å; L64-V66 VanDerWaalsContact C-N 3.35Å; L64-V66 PolarHBondContact O-N 3.33Å; L64-I67 PolarHBondContact O-N 3.47Å; L64-Y68 PolarHBondContact O-N 3.02Å; L64-V324 HydrophobicContact CD2-CG2 3.51Å
65L90.4Very high81Confident34 Ų3447.2 Ų47.218%0.17825%0.254CS..Hα-helixtrans-55.1-51.5174-179157.6000110.5S61 L62 I67 Y68 I69 A118 H122 F123S61-L65 PolarHBondContact O-N 3.36Å; S61-L65 VanDerWaalsContact O-N 3.11Å; L62-L65 PolarHBondContact O-N 2.93Å; L65-I67 VanDerWaalsContact C-N 3.34Å; L65-I67 PolarHBondContact O-N 2.87Å; L65-Y68 PolarHBondContact O-N 2.85Å; L65-I69 HydrophobicContact CD2-CG1 4.22Å; L65-I69 WeakPolarHBondContact O-CG1 3.39Å; L65-I69 PolarHBondContact O-N 3.42Å; L65-A118 HydrophobicContact CG-CB 4.22Å; L65-H122 HydrophobicContact CB-CB 4.36Å; L65-H122 HydrophobicContact CD1-CB 3.81Å; L65-F123 HydrophobicContact CD1-CD2 4.47Å; L65-F123 HydrophobicContact CD1-CE2 4.09Å
66V90.4Very high83.3Confident70 Ų7043 Ų4342%0.42423%0.234SC..Hα-helixtrans-60.1-43.7179.8171.80000111.4L62 A63 L64 I69 I70L62-V66 WeakPolarHBondContact O-CG2 3.29Å; L62-V66 PolarHBondContact O-N 3.35Å; A63-V66 PolarHBondContact O-N 3.08Å; L64-V66 VanDerWaalsContact C-N 3.35Å; L64-V66 PolarHBondContact O-N 3.33Å; V66-I69 PolarHBondContact O-N 3.07Å; V66-I70 HydrophobicContact CG1-CD1 3.82Å; V66-I70 HydrophobicContact CG1-CG1 4.44Å; V66-I70 VanDerWaalsContact O-CG1 3.3Å; V66-I70 WeakPolarHBondContact O-CG1 3.48Å; V66-I70 PolarHBondContact O-N 3.41Å
67I90.1Very high85.4Confident19 Ų1946.1 Ų46.110%0.09725%0.249CC..Hα-helixtrans-59.3-49.6177.1-71164.7000110.3L14 A63 L64 L65 I69 I70 V71 V324L14-I67 HydrophobicContact CD1-CD1 4.16Å; A63-I67 WeakPolarHBondContact O-CB 3.28Å; A63-I67 VanDerWaalsContact O-CG1 3.24Å; A63-I67 WeakPolarHBondContact O-CG1 3.26Å; A63-I67 PolarHBondContact O-N 3.03Å; L64-I67 PolarHBondContact O-N 3.47Å; L65-I67 VanDerWaalsContact C-N 3.34Å; L65-I67 PolarHBondContact O-N 2.87Å; I67-I69 VanDerWaalsContact C-N 3.31Å; I67-I69 PolarHBondContact O-N 2.8Å; I67-I70 PolarHBondContact O-N 3.19Å; I67-V71 HydrophobicContact CG2-CG2 4.29Å; I67-V71 VanDerWaalsContact O-CG2 3.31Å; I67-V71 WeakPolarHBondContact O-CG2 3.22Å; I67-V71 PolarHBondContact O-N 2.68Å; I67-V324 HydrophobicContact CG2-CG1 3.94Å
68Y93.1Very high87.6Confident2 Ų244.6 Ų44.61%0.00824%0.242CC..Hα-helixtrans-62.7-36.3-179.3-69.7-9.3000112.8L64 L65 V71 F72 W117 A118 V324 F327L64-Y68 PolarHBondContact O-N 3.02Å; L65-Y68 PolarHBondContact O-N 2.85Å; Y68-V71 PolarHBondContact O-N 3.29Å; Y68-F72 WeakPolarHBondContact O-CB 3.24Å; Y68-F72 PolarHBondContact O-N 3.49Å; Y68-W117 HydrophobicContact CD2-CB 4.23Å; Y68-W117 HydrophobicContact CE2-CB 4.24Å; Y68-A118 HydrophobicContact CD2-CB 4.15Å; Y68-A118 HydrophobicContact CG-CB 4.48Å; Y68-V324 HydrophobicContact CE1-CB 4.5Å; Y68-V324 HydrophobicContact CE1-CG1 4.48Å; Y68-V324 HydrophobicContact CE1-CG2 3.94Å; Y68-F327 HydrophobicContact CD1-CD2 4.04Å; Y68-F327 HydrophobicContact CE1-CB 4.43Å; Y68-F327 AromaticContact CE1-CD2 3.52Å; Y68-F327 HydrophobicContact CE1-CD2 3.52Å; Y68-F327 HydrophobicContact CE1-CE2 4.16Å; Y68-F327 HydrophobicContact CE1-CG 4.35Å; Y68-F327 HydrophobicContact CE2-CD2 4.29Å; Y68-F327 HydrophobicContact CE2-CE2 4.18Å; Y68-F327 AromaticContact CZ-CD2 3.69Å; Y68-F327 AromaticContact CZ-CE2 3.83Å
69I94.8Very high89.7Confident69 Ų6944.1 Ų44.135%0.35424%0.236SC..Hα-helixtrans-66.9-42174.2-63.2-56.4000111.9L65 V66 I67 F72 V73 A118L65-I69 HydrophobicContact CD2-CG1 4.22Å; L65-I69 WeakPolarHBondContact O-CG1 3.39Å; L65-I69 PolarHBondContact O-N 3.42Å; V66-I69 PolarHBondContact O-N 3.07Å; I67-I69 VanDerWaalsContact C-N 3.31Å; I67-I69 PolarHBondContact O-N 2.8Å; I69-F72 WeakPolarHBondContact O-CB 3.39Å; I69-F72 PolarHBondContact O-N 3.45Å; I69-V73 WeakPolarHBondContact O-CG2 3.29Å; I69-V73 PolarHBondContact O-N 2.91Å; I69-A118 HydrophobicContact CD1-CB 4.08Å; I69-A118 HydrophobicContact CG1-CB 4.37Å
70I92.9Very high91.4Very high81 Ų8144.5 Ų44.542%0.41525%0.245SC..Hα-helixtrans-59.9-50.3174-68.5167.3000109.5V66 I67 F72 V73 F74V66-I70 HydrophobicContact CG1-CD1 3.82Å; V66-I70 HydrophobicContact CG1-CG1 4.44Å; V66-I70 VanDerWaalsContact O-CG1 3.3Å; V66-I70 WeakPolarHBondContact O-CG1 3.48Å; V66-I70 PolarHBondContact O-N 3.41Å; I67-I70 PolarHBondContact O-N 3.19Å; I70-F72 VanDerWaalsContact C-N 3.28Å; I70-F72 PolarHBondContact O-N 3.2Å; I70-V73 PolarHBondContact O-N 3.4Å; I70-F74 HydrophobicContact CG2-CD2 3.85Å; I70-F74 HydrophobicContact CG2-CE2 3.97Å; I70-F74 WeakPolarHBondContact O-CD2 3.2Å; I70-F74 PolarHBondContact O-N 3.1Å; I70-F74 VanDerWaalsContact O-N 3.08Å
71V94.4Very high92.2Very high1 Ų144.2 Ų44.21%0.00625%0.245CC..Hα-helixtrans-57.3-44.7178.7177.30000110.7I67 Y68 S75 L114 F327 L328 M331I67-V71 HydrophobicContact CG2-CG2 4.29Å; I67-V71 VanDerWaalsContact O-CG2 3.31Å; I67-V71 WeakPolarHBondContact O-CG2 3.22Å; I67-V71 PolarHBondContact O-N 2.68Å; Y68-V71 PolarHBondContact O-N 3.29Å; V71-S75 WeakPolarHBondContact O-CB 3.47Å; V71-S75 PolarHBondContact O-N 3.47Å; V71-S75 PolarHBondContact O-OG 3.07Å; V71-L114 HydrophobicContact CB-CD1 4.1Å; V71-L114 HydrophobicContact CG1-CD1 3.57Å; V71-F327 WeakPolarHBondContact CG1-O 3.39Å; V71-L328 HydrophobicContact CG2-CD2 3.42Å; V71-L328 VanDerWaalsContact CG2-CD2 3.42Å; V71-L328 HydrophobicContact CG2-CG 4.33Å; V71-M331 HydrophobicContact CG1-CB 4.3Å
72F96.5Very high92.8Very high51 Ų5142.6 Ų42.622%0.22423%0.234CC..Hα-helixtrans-55.2-55.3176.2169.1-112.7000112.1Y68 I69 I70 F74 S75 V76 C111 F112 L114 P115Y68-F72 WeakPolarHBondContact O-CB 3.24Å; Y68-F72 PolarHBondContact O-N 3.49Å; I69-F72 WeakPolarHBondContact O-CB 3.39Å; I69-F72 PolarHBondContact O-N 3.45Å; I70-F72 VanDerWaalsContact C-N 3.28Å; I70-F72 PolarHBondContact O-N 3.2Å; F72-F74 PolarHBondContact O-N 3.09Å; F72-S75 PolarHBondContact O-N 3.24Å; F72-V76 HydrophobicContact CD2-CG2 3.73Å; F72-V76 HydrophobicContact CE2-CG2 3.42Å; F72-V76 VanDerWaalsContact CE2-CG2 3.42Å; F72-V76 HydrophobicContact CZ-CG2 3.96Å; F72-V76 WeakPolarHBondContact O-CG2 3.44Å; F72-V76 PolarHBondContact O-N 3.27Å; F72-C111 HydrophobicContact CD2-CB 4.49Å; F72-C111 WeakPolarHBondContact CD2-O 3.47Å; F72-F112 HydrophobicContact CE2-CD1 4.03Å; F72-F112 HydrophobicContact CE2-CE1 4.4Å; F72-L114 HydrophobicContact CB-CB 4.29Å; F72-L114 HydrophobicContact CB-CD1 4.42Å; F72-P115 HydrophobicContact CD1-CG 4.13Å; F72-P115 HydrophobicContact CD2-CG 3.92Å; F72-P115 HydrophobicContact CE1-CG 4.26Å; F72-P115 HydrophobicContact CE2-CG 4.03Å; F72-P115 HydrophobicContact CG-CG 3.95Å; F72-P115 HydrophobicContact CZ-CG 4.2Å
73V96.1Very high93.2Very high67 Ų6739.7 Ų39.741%0.40622%0.219SC..Hα-helixtrans-60-50.2-176.1172.20000111.4I69 I70 S75 V76 L77I69-V73 WeakPolarHBondContact O-CG2 3.29Å; I69-V73 PolarHBondContact O-N 2.91Å; I70-V73 PolarHBondContact O-N 3.4Å; V73-S75 VanDerWaalsContact C-N 3.34Å; V73-S75 PolarHBondContact O-N 3.28Å; V73-V76 PolarHBondContact O-N 3.44Å; V73-L77 HydrophobicContact CG1-CD1 3.95Å; V73-L77 WeakPolarHBondContact O-CB 3.34Å; V73-L77 VanDerWaalsContact O-CG 3.27Å; V73-L77 WeakPolarHBondContact O-CG 3.38Å; V73-L77 PolarHBondContact O-N 2.87Å; V73-L77 VanDerWaalsContact O-N 3.09Å
74F94.3Very high93.6Very high123 Ų12342.7 Ų42.754%0.53923%0.231SC..Hα-helixtrans-67.2-36-179-80.7-91.9000112.3I70 F72 G78 M331I70-F74 HydrophobicContact CG2-CD2 3.85Å; I70-F74 HydrophobicContact CG2-CE2 3.97Å; I70-F74 WeakPolarHBondContact O-CD2 3.2Å; I70-F74 PolarHBondContact O-N 3.1Å; I70-F74 VanDerWaalsContact O-N 3.08Å; F72-F74 PolarHBondContact O-N 3.09Å; F74-G78 PolarHBondContact O-N 3.39Å; F74-M331 HydrophobicContact CB-CG 3.67Å; F74-M331 HydrophobicContact CB-SD 3.61Å; F74-M331 HydrophobicContact CD2-SD 4.34Å; F74-M331 HydrophobicContact CG-SD 3.98Å
75S95.5Very high93.7Very high0 Ų042.3 Ų42.30%023%0.229CC..Hα-helixtrans-69-43.6178.6-58.80000111.8V71 F72 V73 N79 C330 M331V71-S75 WeakPolarHBondContact O-CB 3.47Å; V71-S75 PolarHBondContact O-N 3.47Å; V71-S75 PolarHBondContact O-OG 3.07Å; F72-S75 PolarHBondContact O-N 3.24Å; V73-S75 VanDerWaalsContact C-N 3.34Å; V73-S75 PolarHBondContact O-N 3.28Å; S75-N79 VanDerWaalsContact O-CB 3.26Å; S75-N79 WeakPolarHBondContact O-CB 3.19Å; S75-N79 PolarHBondContact O-N 3.2Å; S75-N79 PolarHBondContact O-ND2 3.06Å; S75-C330 PolarHBondContact OG-SG 3.09Å; S75-M331 WeakPolarHBondContact OG-CA 3.28Å; S75-M331 WeakPolarHBondContact OG-CB 3.37Å; S75-M331 PolarHBondContact OG-N 3.35Å; S75-M331 VanDerWaalsContact OG-N 3.11Å
76V96.9Very high93.7Very high32 Ų3241 Ų4119%0.19422%0.222CC..Hα-helixtrans-60.4-51.2176169.80000110.1F72 V73 S80 C111F72-V76 HydrophobicContact CD2-CG2 3.73Å; F72-V76 HydrophobicContact CE2-CG2 3.42Å; F72-V76 VanDerWaalsContact CE2-CG2 3.42Å; F72-V76 HydrophobicContact CZ-CG2 3.96Å; F72-V76 WeakPolarHBondContact O-CG2 3.44Å; F72-V76 PolarHBondContact O-N 3.27Å; V73-V76 PolarHBondContact O-N 3.44Å; V76-S80 WeakPolarHBondContact O-CB 3.17Å; V76-S80 PolarHBondContact O-N 3.4Å; V76-S80 PolarHBondContact O-OG 2.94Å; V76-C111 WeakPolarHBondContact CG2-SG 3.31Å
77L95.1Very high93.6Very high109 Ų10941.1 Ų41.157%0.57123%0.225SC*.Hα-helixtrans-60.7-51.3-179.8-68.7173.6000111.4V73 V81V73-L77 HydrophobicContact CG1-CD1 3.95Å; V73-L77 WeakPolarHBondContact O-CB 3.34Å; V73-L77 VanDerWaalsContact O-CG 3.27Å; V73-L77 WeakPolarHBondContact O-CG 3.38Å; V73-L77 PolarHBondContact O-N 2.87Å; V73-L77 VanDerWaalsContact O-N 3.09Å; L77-V81 VanDerWaalsContact O-CG2 3.27Å; L77-V81 WeakPolarHBondContact O-CG2 3.41Å; L77-V81 PolarHBondContact O-N 3.39Å; L77-V81 VanDerWaalsContact O-N 3.11Å
78G93.8Very high93.4Very high16 Ų1641.5 Ų41.517%0.16523%0.23CC..Hα-helixtrans-64.3-49.6-175.800000113.1F74 V81 V82 P334F74-G78 PolarHBondContact O-N 3.39Å; G78-V81 PolarHBondContact O-N 3.42Å; G78-V82 WeakPolarHBondContact O-CG2 3.48Å; G78-V82 PolarHBondContact O-N 3.29Å; G78-V82 VanDerWaalsContact O-N 3.14Å; G78-P334 VanDerWaalsContact CA-CB 3.47Å
79N95.9Very high93Very high0 Ų042 Ų420%023%0.233CC..Hα-helixtrans-72.6-32.4-177.6-68.3-64.4000112S75 V81 V82 V83 A104 L108 C330 P334S75-N79 VanDerWaalsContact O-CB 3.26Å; S75-N79 WeakPolarHBondContact O-CB 3.19Å; S75-N79 PolarHBondContact O-N 3.2Å; S75-N79 PolarHBondContact O-ND2 3.06Å; N79-V81 VanDerWaalsContact C-N 3.33Å; N79-V81 PolarHBondContact O-N 3.44Å; N79-V82 WeakPolarHBondContact O-CB 3.43Å; N79-V82 PolarHBondContact O-N 3.42Å; N79-V82 VanDerWaalsContact O-N 3.16Å; N79-V83 WeakPolarHBondContact O-CG2 3.38Å; N79-V83 PolarHBondContact O-N 2.99Å; N79-A104 HydrophobicContact CB-CB 4.15Å; N79-L108 HydrophobicContact CB-CD1 4.39Å; N79-L108 HydrophobicContact CB-CD2 3.91Å; N79-L108 HydrophobicContact CB-CG 3.74Å; N79-C330 PolarHBondContact ND2-O 3.26Å; N79-P334 HydrophobicContact CB-CG 4.46Å; N79-P334 WeakPolarHBondContact OD1-CG 3.23Å
80S95.8Very high91.7Very high51 Ų5144.1 Ų44.136%0.35725%0.249SC..Hα-helixtrans-62-40.6171.7-61.80000112V76 V82 V83 F84V76-S80 WeakPolarHBondContact O-CB 3.17Å; V76-S80 PolarHBondContact O-N 3.4Å; V76-S80 PolarHBondContact O-OG 2.94Å; S80-V82 VanDerWaalsContact C-N 3.33Å; S80-V82 PolarHBondContact O-N 2.98Å; S80-V83 PolarHBondContact O-N 2.87Å; S80-F84 VanDerWaalsContact O-CB 3.32Å; S80-F84 WeakPolarHBondContact O-CB 3.48Å; S80-F84 PolarHBondContact O-N 3.11Å
81V93.7Very high90.6Very high57 Ų5749.2 Ų49.235%0.34527%0.268SS..Hα-helixtrans-62.4-41174172.90000110.8L77 G78 N79 F84 V85 F344 L348L77-V81 VanDerWaalsContact O-CG2 3.27Å; L77-V81 WeakPolarHBondContact O-CG2 3.41Å; L77-V81 PolarHBondContact O-N 3.39Å; L77-V81 VanDerWaalsContact O-N 3.11Å; G78-V81 PolarHBondContact O-N 3.42Å; N79-V81 VanDerWaalsContact C-N 3.33Å; N79-V81 PolarHBondContact O-N 3.44Å; V81-F84 PolarHBondContact O-N 3.4Å; V81-V85 HydrophobicContact CG1-CG2 4.17Å; V81-V85 WeakPolarHBondContact O-CB 3.37Å; V81-V85 VanDerWaalsContact O-CG2 3.23Å; V81-V85 WeakPolarHBondContact O-CG2 3.43Å; V81-V85 PolarHBondContact O-N 3.43Å; V81-F344 HydrophobicContact CG1-CZ 4.13Å; V81-L348 HydrophobicContact CG1-CD1 3.78Å; V81-L348 HydrophobicContact CG1-CD2 4.25Å
82V92.7Very high89.3Confident4 Ų452.4 Ų52.42%0.02430%0.301CS..Hα-helixtrans-59.4-49.4176.5175.80000111.3G78 N79 S80 F84 V85 V86 A104 Y337 F344G78-V82 WeakPolarHBondContact O-CG2 3.48Å; G78-V82 PolarHBondContact O-N 3.29Å; G78-V82 VanDerWaalsContact O-N 3.14Å; N79-V82 WeakPolarHBondContact O-CB 3.43Å; N79-V82 PolarHBondContact O-N 3.42Å; N79-V82 VanDerWaalsContact O-N 3.16Å; S80-V82 VanDerWaalsContact C-N 3.33Å; S80-V82 PolarHBondContact O-N 2.98Å; V82-F84 PolarHBondContact O-N 3.35Å; V82-V85 PolarHBondContact O-N 2.92Å; V82-V86 WeakPolarHBondContact O-CG2 3.37Å; V82-V86 PolarHBondContact O-N 3.48Å; V82-V86 VanDerWaalsContact O-N 3.12Å; V82-A104 HydrophobicContact CB-CB 3.92Å; V82-A104 HydrophobicContact CG1-CB 3.76Å; V82-Y337 HydrophobicContact CG2-CD2 3.74Å; V82-Y337 HydrophobicContact CG2-CE2 4.27Å; V82-F344 HydrophobicContact CB-CE2 4.37Å; V82-F344 HydrophobicContact CG2-CE2 4.01Å; V82-F344 HydrophobicContact CG2-CZ 3.88Å
83V94.4Very high88.5Confident30 Ų3054.1 Ų54.118%0.18231%0.306CS..Hα-helixtrans-59.1-48.6177174.80000110.6N79 S80 V85 V86 C87 M101 A104 L105 L108N79-V83 WeakPolarHBondContact O-CG2 3.38Å; N79-V83 PolarHBondContact O-N 2.99Å; S80-V83 PolarHBondContact O-N 2.87Å; V83-V85 PolarHBondContact O-N 3.41Å; V83-V86 PolarHBondContact O-N 3.47Å; V83-C87 WeakPolarHBondContact O-CB 3.3Å; V83-C87 PolarHBondContact O-N 3.31Å; V83-C87 PolarHBondContact O-SG 3.01Å; V83-M101 HydrophobicContact CG2-CG 4.45Å; V83-A104 HydrophobicContact CG2-CB 3.87Å; V83-L105 HydrophobicContact CG2-CD2 4.1Å; V83-L105 HydrophobicContact CG2-CG 4.24Å; V83-L108 HydrophobicContact CG2-CD1 4.13Å
84F92.3Very high87.8Confident72 Ų7252.5 Ų52.532%0.31630%0.3SS..Hα-helixtrans-57.5-45.8179.2170.7-101.9000112.7S80 V81 V82 C87 S88 A351 Q355S80-F84 VanDerWaalsContact O-CB 3.32Å; S80-F84 WeakPolarHBondContact O-CB 3.48Å; S80-F84 PolarHBondContact O-N 3.11Å; V81-F84 PolarHBondContact O-N 3.4Å; V82-F84 PolarHBondContact O-N 3.35Å; F84-C87 PolarHBondContact O-N 2.9Å; F84-S88 WeakPolarHBondContact O-CB 3.44Å; F84-S88 PolarHBondContact O-N 2.83Å; F84-S88 PolarHBondContact O-OG 2.97Å; F84-A351 HydrophobicContact CE1-CB 3.84Å; F84-A351 HydrophobicContact CZ-CB 4.28Å; F84-Q355 HydrophobicContact CE2-CG 4.4Å; F84-Q355 HydrophobicContact CZ-CG 3.84Å
85V89.5Confident87.2Confident1 Ų147.5 Ų47.51%0.00628%0.28CS..Hα-helixtrans-62.5-48.7-179.9170.80000110.7V81 V82 V83 C87 S88 M89 F344 E347 L348V81-V85 HydrophobicContact CG1-CG2 4.17Å; V81-V85 WeakPolarHBondContact O-CB 3.37Å; V81-V85 VanDerWaalsContact O-CG2 3.23Å; V81-V85 WeakPolarHBondContact O-CG2 3.43Å; V81-V85 PolarHBondContact O-N 3.43Å; V82-V85 PolarHBondContact O-N 2.92Å; V83-V85 PolarHBondContact O-N 3.41Å; V85-C87 PolarHBondContact O-N 2.93Å; V85-S88 PolarHBondContact O-N 3.28Å; V85-M89 HydrophobicContact CG1-CE 3.76Å; V85-M89 WeakPolarHBondContact O-CG 2.8Å; V85-M89 PolarHBondContact O-N 3.01Å; V85-F344 HydrophobicContact CB-CE2 3.88Å; V85-F344 HydrophobicContact CB-CZ 4.47Å; V85-F344 HydrophobicContact CG1-CD2 4.09Å; V85-F344 HydrophobicContact CG1-CE2 3.94Å; V85-F344 HydrophobicContact CG2-CE2 4.02Å; V85-F344 HydrophobicContact CG2-CZ 4.13Å; V85-E347 HydrophobicContact CG1-CB 3.8Å; V85-L348 HydrophobicContact CG2-CB 3.81Å; V85-L348 HydrophobicContact CG2-CD1 3.51Å; V85-L348 HydrophobicContact CG2-CG 4.24Å
86V88.9Confident86.6Confident5 Ų548.3 Ų48.33%0.0329%0.285CS..Hα-helixtrans-64.8-41-179.6177.90000111.5V82 V83 S88 M89 R93 D97 M101V82-V86 WeakPolarHBondContact O-CG2 3.37Å; V82-V86 PolarHBondContact O-N 3.48Å; V82-V86 VanDerWaalsContact O-N 3.12Å; V83-V86 PolarHBondContact O-N 3.47Å; V86-S88 VanDerWaalsContact C-N 3.29Å; V86-S88 PolarHBondContact O-N 3.01Å; V86-M89 HydrophobicContact CG2-CE 4.44Å; V86-M89 WeakPolarHBondContact O-CB 3.44Å; V86-M89 PolarHBondContact O-N 3.17Å; V86-R93 PolarHBondContact O-NE 3.42Å; V86-R93 PolarHBondContact O-NH2 3.21Å; V86-D97 HydrophobicContact CG1-CB 4.33Å; V86-D97 HydrophobicContact CG2-CB 4.5Å; V86-M101 HydrophobicContact CB-CB 4.21Å; V86-M101 HydrophobicContact CB-CG 4.46Å; V86-M101 HydrophobicContact CG1-CB 3.99Å; V86-M101 HydrophobicContact CG1-CG 4.39Å; V86-M101 HydrophobicContact CG1-SD 4.06Å; V86-M101 HydrophobicContact CG2-CB 4.37Å
87C89.5Confident86.1Confident73 Ų7347.3 Ų47.349%0.49328%0.279SS..Hα-helixtrans-61.9-36.8175.4-740000112.2V83 F84 V85 M89V83-C87 WeakPolarHBondContact O-CB 3.3Å; V83-C87 PolarHBondContact O-N 3.31Å; V83-C87 PolarHBondContact O-SG 3.01Å; F84-C87 PolarHBondContact O-N 2.9Å; V85-C87 PolarHBondContact O-N 2.93Å; C87-M89 VanDerWaalsContact C-N 3.26Å; C87-M89 PolarHBondContact O-N 3.2Å
88S86.2Confident85.8Confident27 Ų2742.4 Ų42.419%0.18925%0.253CS..Hα-helixtrans-74.8-10.3178.9-61.80000114.3F84 V85 V86 T90F84-S88 WeakPolarHBondContact O-CB 3.44Å; F84-S88 PolarHBondContact O-N 2.83Å; F84-S88 PolarHBondContact O-OG 2.97Å; V85-S88 PolarHBondContact O-N 3.28Å; V86-S88 VanDerWaalsContact C-N 3.29Å; V86-S88 PolarHBondContact O-N 3.01Å; S88-T90 PolarHBondContact O-N 2.96Å
89M84.2Confident85.7Confident14 Ų1442 Ų427%0.06925%0.247CC..  trans-74.1103.4175.6-61.8-174.9-169.200110.8V85 V86 C87 R93 E347V85-M89 HydrophobicContact CG1-CE 3.76Å; V85-M89 WeakPolarHBondContact O-CG 2.8Å; V85-M89 PolarHBondContact O-N 3.01Å; V86-M89 HydrophobicContact CG2-CE 4.44Å; V86-M89 WeakPolarHBondContact O-CB 3.44Å; V86-M89 PolarHBondContact O-N 3.17Å; C87-M89 VanDerWaalsContact C-N 3.26Å; C87-M89 PolarHBondContact O-N 3.2Å; M89-R93 PolarHBondContact O-NH2 3.42Å; M89-E347 HydrophobicContact CE-CB 3.78Å; M89-E347 HydrophobicContact CE-CG 3.72Å; M89-E347 HydrophobicContact SD-CG 4.5Å
90T67.6Low85.4Confident113 Ų11343.8 Ų43.869%0.69326%0.256SS*.  trans-88.5-19.9178.752.40000114.1S88S88-T90 PolarHBondContact O-N 2.96Å
91K69.5Low85.2Confident187 Ų18742.9 Ų42.981%0.81325%0.247SC*.SBendtrans-141.4143176-65.3-176.4-179.4-179.20109.5
92G67.8Low85.3Confident69 Ų6941.7 Ų41.771%0.71124%0.237SC*.  trans82.617.6172.900000116.6A94G92-A94 PolarHBondContact O-N 3.5Å
93R78.8Confident85.3Confident87 Ų8741.5 Ų41.533%0.32824%0.236SC..  trans-64118.7173.1-171.4-178.7-67.7167.61109.6V86 M89 D97 I98 H172V86-R93 PolarHBondContact O-NE 3.42Å; V86-R93 PolarHBondContact O-NH2 3.21Å; M89-R93 PolarHBondContact O-NH2 3.42Å; R93-D97 HydrophobicContact CG-CB 4Å; R93-I98 HydrophobicContact CG-CG1 4.27Å; R93-H172 PolarHBondContact O-CE1 3.4Å; R93-H172 VanDerWaalsContact O-CE1 3.24Å
94A80.8Confident85.4Confident33 Ų3340.2 Ų40.227%0.27323%0.228SC..  trans-83.4161.5174.200000111.2G92 T96 D97G92-A94 PolarHBondContact O-N 3.5Å; A94-T96 PolarHBondContact O-N 2.87Å; A94-D97 WeakPolarHBondContact CB-OD2 3.03Å; A94-D97 PolarHBondContact N-OD2 2.94Å; A94-D97 WeakPolarHBondContact O-CB 3.3Å; A94-D97 PolarHBondContact O-N 3.38Å
95S82Confident85.6Confident18 Ų1839.9 Ų39.913%0.12623%0.23CC..Hα-helixtrans-54.5-41.5172.250.90000112D97 I98 Y99 D156S95-D97 VanDerWaalsContact C-N 3.27Å; S95-D97 PolarHBondContact O-N 2.97Å; S95-I98 WeakPolarHBondContact O-CB 3.25Å; S95-I98 PolarHBondContact O-N 2.85Å; S95-I98 VanDerWaalsContact O-N 3.15Å; S95-Y99 WeakPolarHBondContact O-CD2 3.34Å; S95-Y99 PolarHBondContact O-N 3.48Å; S95-D156 PolarHBondContact OG-OD1 3.49Å; S95-D156 PolarHBondContact OG-OD2 2.9Å
96T83Confident85.9Confident17 Ų1739.9 Ų39.910%0.10423%0.229CC..Hα-helixtrans-59.4-35175.651.30000113.3A94 I98 Y99 L100 D156 R157A94-T96 PolarHBondContact O-N 2.87Å; T96-I98 VanDerWaalsContact C-N 3.26Å; T96-I98 PolarHBondContact O-N 3.29Å; T96-Y99 PolarHBondContact O-N 3.37Å; T96-L100 WeakPolarHBondContact O-CB 3.36Å; T96-L100 VanDerWaalsContact O-CG 3.23Å; T96-L100 WeakPolarHBondContact O-CG 3.24Å; T96-L100 PolarHBondContact O-N 3.22Å; T96-D156 WeakPolarHBondContact CG2-OD2 3.44Å; T96-R157 VanDerWaalsContact CG2-NE 3.28Å
97D86.5Confident86.3Confident10 Ų1039.9 Ų39.95%0.05323%0.229CC..Hα-helixtrans-68.2-31.7-179.2-54.1-31.6000110.5V86 R93 A94 S95 M101 K343V86-D97 HydrophobicContact CG1-CB 4.33Å; V86-D97 HydrophobicContact CG2-CB 4.5Å; R93-D97 HydrophobicContact CG-CB 4Å; A94-D97 WeakPolarHBondContact CB-OD2 3.03Å; A94-D97 PolarHBondContact N-OD2 2.94Å; A94-D97 WeakPolarHBondContact O-CB 3.3Å; A94-D97 PolarHBondContact O-N 3.38Å; S95-D97 VanDerWaalsContact C-N 3.27Å; S95-D97 PolarHBondContact O-N 2.97Å; D97-M101 PolarHBondContact O-N 3.03Å; D97-M101 VanDerWaalsContact O-N 3.07Å; D97-K343 IonicContact OD1-NZ 2.97Å; D97-K343 PolarHBondContact OD1-NZ 2.96Å; D97-K343 IonicContact OD2-NZ 3.32Å; D97-K343 PolarHBondContact OD2-NZ 2.91Å
98I89.5Confident86.6Confident7 Ų737.4 Ų37.44%0.03621%0.211CC..Hα-helixtrans-69.1-46.1174.1-63.1166.7000110.5R93 S95 T96 L100 M101 H102 H172 V175R93-I98 HydrophobicContact CG-CG1 4.27Å; S95-I98 WeakPolarHBondContact O-CB 3.25Å; S95-I98 PolarHBondContact O-N 2.85Å; S95-I98 VanDerWaalsContact O-N 3.15Å; T96-I98 VanDerWaalsContact C-N 3.26Å; T96-I98 PolarHBondContact O-N 3.29Å; I98-L100 VanDerWaalsContact C-N 3.32Å; I98-L100 PolarHBondContact O-N 3.18Å; I98-M101 WeakPolarHBondContact O-CB 3.29Å; I98-M101 PolarHBondContact O-N 3.29Å; I98-H102 PolarHBondContact O-CD2 3.43Å; I98-H102 VanDerWaalsContact O-CD2 3.3Å; I98-H102 PolarHBondContact O-N 3.11Å; I98-H172 WeakPolarHBondContact CD1-ND1 3.28Å; I98-V175 HydrophobicContact CB-CG1 3.93Å; I98-V175 HydrophobicContact CD1-CG1 4.34Å; I98-V175 HydrophobicContact CG2-CG1 3.7Å
99Y90.8Very high87.1Confident7 Ų738.5 Ų38.53%0.02722%0.215CC..Hα-helixtrans-60.2-42.3176-69.2-59.7000112S95 T96 M101 H102 L103 L149 C152 I153 D156 V175 I178S95-Y99 WeakPolarHBondContact O-CD2 3.34Å; S95-Y99 PolarHBondContact O-N 3.48Å; T96-Y99 PolarHBondContact O-N 3.37Å; Y99-M101 VanDerWaalsContact C-N 3.29Å; Y99-M101 PolarHBondContact O-N 3.25Å; Y99-H102 PolarHBondContact O-N 3.35Å; Y99-L103 WeakPolarHBondContact O-CB 3.47Å; Y99-L103 PolarHBondContact O-N 3.46Å; Y99-L149 HydrophobicContact CD1-CD2 3.92Å; Y99-C152 HydrophobicContact CD1-CB 4.31Å; Y99-C152 HydrophobicContact CE1-CB 3.79Å; Y99-I153 VanDerWaalsContact CB-CG1 3.47Å; Y99-I153 HydrophobicContact CD2-CG1 4.07Å; Y99-I153 HydrophobicContact CG-CG1 3.89Å; Y99-D156 HydrophobicContact CE2-CB 4.08Å; Y99-V175 HydrophobicContact CD1-CG1 4.27Å; Y99-V175 HydrophobicContact CD2-CG1 4.36Å; Y99-V175 HydrophobicContact CE1-CG1 3.88Å; Y99-V175 HydrophobicContact CE2-CG1 3.99Å; Y99-V175 HydrophobicContact CE2-CG2 4.05Å; Y99-V175 HydrophobicContact CG-CG1 4.49Å; Y99-I178 HydrophobicContact CE1-CG2 4.12Å
100L89.8Confident87.7Confident38 Ų3838 Ų3820%0.19921%0.212CC..Hα-helixtrans-62-36.3176-70.9175.1000112.5T96 I98 L103 A104 I153 Y337T96-L100 WeakPolarHBondContact O-CB 3.36Å; T96-L100 VanDerWaalsContact O-CG 3.23Å; T96-L100 WeakPolarHBondContact O-CG 3.24Å; T96-L100 PolarHBondContact O-N 3.22Å; I98-L100 VanDerWaalsContact C-N 3.32Å; I98-L100 PolarHBondContact O-N 3.18Å; L100-L103 PolarHBondContact O-N 2.9Å; L100-A104 WeakPolarHBondContact O-CB 3.38Å; L100-A104 PolarHBondContact O-N 3.48Å; L100-I153 HydrophobicContact CD2-CD1 4.49Å; L100-Y337 HydrophobicContact CD2-CE1 3.68Å; L100-Y337 VanDerWaalsContact CD2-OH 3.29Å; L100-Y337 WeakPolarHBondContact CD2-OH 3.43Å
101M92.6Very high89Confident32 Ų3232.6 Ų32.616%0.15818%0.179CC..Hα-helixtrans-66-44.8173.9-176.1-172.177.100111.8V83 V86 D97 I98 Y99 L103 A104 L105V83-M101 HydrophobicContact CG2-CG 4.45Å; V86-M101 HydrophobicContact CB-CB 4.21Å; V86-M101 HydrophobicContact CB-CG 4.46Å; V86-M101 HydrophobicContact CG1-CB 3.99Å; V86-M101 HydrophobicContact CG1-CG 4.39Å; V86-M101 HydrophobicContact CG1-SD 4.06Å; V86-M101 HydrophobicContact CG2-CB 4.37Å; D97-M101 PolarHBondContact O-N 3.03Å; D97-M101 VanDerWaalsContact O-N 3.07Å; I98-M101 WeakPolarHBondContact O-CB 3.29Å; I98-M101 PolarHBondContact O-N 3.29Å; Y99-M101 VanDerWaalsContact C-N 3.29Å; Y99-M101 PolarHBondContact O-N 3.25Å; M101-L103 VanDerWaalsContact C-N 3.29Å; M101-L103 PolarHBondContact O-N 3.08Å; M101-A104 PolarHBondContact O-N 3.33Å; M101-L105 WeakPolarHBondContact O-CG 3.46Å; M101-L105 PolarHBondContact O-N 3.22Å
102H94.9Very high90.3Very high32 Ų3229.1 Ų29.115%0.14816%0.164CC..Hα-helixtrans-65.3-34.1175.3-78-81000112.4I98 Y99 L105 A106 L149 C179 W183I98-H102 PolarHBondContact O-CD2 3.43Å; I98-H102 VanDerWaalsContact O-CD2 3.3Å; I98-H102 PolarHBondContact O-N 3.11Å; Y99-H102 PolarHBondContact O-N 3.35Å; H102-L105 PolarHBondContact O-N 3.41Å; H102-A106 PolarHBondContact O-N 3.48Å; H102-L149 HydrophobicContact CB-CD1 3.78Å; H102-L149 HydrophobicContact CB-CD2 3.93Å; H102-C179 PolarHBondContact CD2-SG 3.42Å; H102-W183 AromaticContact CG-NE1 3.99Å; H102-W183 AromaticContact ND1-CD1 3.95Å; H102-W183 AromaticContact ND1-NE1 3.16Å; H102-W183 PolarHBondContact ND1-NE1 3.49Å; H102-W183 VanDerWaalsContact ND1-NE1 3.16Å
103L93.8Very high91.6Very high0 Ų026 Ų260%013%0.131CC..Hα-helixtrans-64.4-44.4174.3-175.864.1000110.6Y99 L100 M101 L105 A106 D107 L149 L150 V279 Y337Y99-L103 WeakPolarHBondContact O-CB 3.47Å; Y99-L103 PolarHBondContact O-N 3.46Å; L100-L103 PolarHBondContact O-N 2.9Å; M101-L103 VanDerWaalsContact C-N 3.29Å; M101-L103 PolarHBondContact O-N 3.08Å; L103-L105 VanDerWaalsContact C-N 3.31Å; L103-L105 PolarHBondContact O-N 2.8Å; L103-A106 WeakPolarHBondContact O-CB 3.43Å; L103-A106 PolarHBondContact O-N 3.1Å; L103-D107 PolarHBondContact O-N 3.03Å; L103-L149 HydrophobicContact CB-CD1 4.31Å; L103-L150 HydrophobicContact CD2-CD2 3.97Å; L103-V279 HydrophobicContact CD2-CG1 4.4Å; L103-Y337 WeakPolarHBondContact CD2-OH 3.36Å
104A95.2Very high92.4Very high2 Ų221.9 Ų21.92%0.01712%0.115CC..Hα-helixtrans-62.9-35.8173.800000112.6N79 V82 V83 L100 M101 D107 L108N79-A104 HydrophobicContact CB-CB 4.15Å; V82-A104 HydrophobicContact CB-CB 3.92Å; V82-A104 HydrophobicContact CG1-CB 3.76Å; V83-A104 HydrophobicContact CG2-CB 3.87Å; L100-A104 WeakPolarHBondContact O-CB 3.38Å; L100-A104 PolarHBondContact O-N 3.48Å; M101-A104 PolarHBondContact O-N 3.33Å; A104-D107 PolarHBondContact O-N 3.31Å; A104-L108 WeakPolarHBondContact O-CB 3.23Å; A104-L108 VanDerWaalsContact O-CG 3.24Å; A104-L108 WeakPolarHBondContact O-CG 3.24Å; A104-L108 PolarHBondContact O-N 3.5Å
105L96.6Very high93.1Very high66 Ų6622 Ų2235%0.34611%0.113SC..Hα-helixtrans-66.4-39.6173.5-71170.6000112.1V83 M101 H102 L103 L108 L109 W183V83-L105 HydrophobicContact CG2-CD2 4.1Å; V83-L105 HydrophobicContact CG2-CG 4.24Å; M101-L105 WeakPolarHBondContact O-CG 3.46Å; M101-L105 PolarHBondContact O-N 3.22Å; H102-L105 PolarHBondContact O-N 3.41Å; L103-L105 VanDerWaalsContact C-N 3.31Å; L103-L105 PolarHBondContact O-N 2.8Å; L105-L108 HydrophobicContact CD2-CD1 4.48Å; L105-L108 PolarHBondContact O-N 3.29Å; L105-L109 PolarHBondContact O-N 3Å; L105-W183 HydrophobicContact CB-CZ2 4.27Å
106A96.6Very high93.7Very high0 Ų024.3 Ų24.30%012%0.121CC..Hα-helixtrans-64.7-43.3174.300000111.8H102 L103 L108 L109 F110 S142 S145 W183H102-A106 PolarHBondContact O-N 3.48Å; L103-A106 WeakPolarHBondContact O-CB 3.43Å; L103-A106 PolarHBondContact O-N 3.1Å; A106-L108 VanDerWaalsContact C-N 3.34Å; A106-L108 PolarHBondContact O-N 3.1Å; A106-L109 PolarHBondContact O-N 3.15Å; A106-F110 WeakPolarHBondContact O-CB 3.23Å; A106-F110 PolarHBondContact O-N 3.44Å; A106-S142 WeakPolarHBondContact O-CB 3.28Å; A106-S142 PolarHBondContact O-OG 3.43Å; A106-S145 WeakPolarHBondContact CB-OG 3.28Å; A106-W183 HydrophobicContact CB-CH2 4.05Å; A106-W183 HydrophobicContact CB-CZ2 4.3Å
107D96.1Very high94.2Very high6 Ų623.8 Ų23.83%0.03212%0.118CC..Hα-helixtrans-65.1-35.7175.3-75.8-29.2000112.1L103 A104 F110 C111 H329 C330 N333L103-D107 PolarHBondContact O-N 3.03Å; A104-D107 PolarHBondContact O-N 3.31Å; D107-F110 PolarHBondContact O-N 3.47Å; D107-C111 WeakPolarHBondContact O-CB 3.38Å; D107-C111 PolarHBondContact O-N 3.21Å; D107-C111 PolarHBondContact O-SG 3.05Å; D107-H329 IonicContact OD1-CE1 3.56Å; D107-H329 PolarHBondContact OD1-CE1 2.74Å; D107-H329 IonicContact OD1-ND1 3.11Å; D107-H329 PolarHBondContact OD1-ND1 2.85Å; D107-C330 HydrophobicContact CB-CB 3.99Å; D107-N333 PolarHBondContact OD2-ND2 2.66Å
108L97Very high94.4Very high20 Ų2023.4 Ų23.411%0.10512%0.115CC..Hα-helixtrans-63.8-50172.3-77.3169.4000111.1N79 V83 A104 L105 A106 F110 C111 F112N79-L108 HydrophobicContact CB-CD1 4.39Å; N79-L108 HydrophobicContact CB-CD2 3.91Å; N79-L108 HydrophobicContact CB-CG 3.74Å; V83-L108 HydrophobicContact CG2-CD1 4.13Å; A104-L108 WeakPolarHBondContact O-CB 3.23Å; A104-L108 VanDerWaalsContact O-CG 3.24Å; A104-L108 WeakPolarHBondContact O-CG 3.24Å; A104-L108 PolarHBondContact O-N 3.5Å; L105-L108 HydrophobicContact CD2-CD1 4.48Å; L105-L108 PolarHBondContact O-N 3.29Å; A106-L108 VanDerWaalsContact C-N 3.34Å; A106-L108 PolarHBondContact O-N 3.1Å; L108-F110 PolarHBondContact O-N 3.39Å; L108-C111 PolarHBondContact O-N 3.11Å; L108-C111 PolarHBondContact O-SG 3.35Å; L108-F112 HydrophobicContact CB-CE2 4.34Å; L108-F112 WeakPolarHBondContact O-CD2 3.29Å; L108-F112 PolarHBondContact O-N 2.83Å
109L96.1Very high94.5Very high51 Ų5124.9 Ų24.927%0.26713%0.125SC..Hα-helixtrans-57.1-40.9176.3179.365.2000111.3L105 A106 F138 S142 W183L105-L109 PolarHBondContact O-N 3Å; A106-L109 PolarHBondContact O-N 3.15Å; L109-F138 HydrophobicContact CD1-CB 4.22Å; L109-F138 HydrophobicContact CD1-CD1 4.3Å; L109-F138 HydrophobicContact CD1-CG 4.12Å; L109-F138 HydrophobicContact CD2-CD1 4.36Å; L109-F138 HydrophobicContact CG-CB 4.3Å; L109-S142 WeakPolarHBondContact CB-OG 3.4Å; L109-S142 WeakPolarHBondContact CD2-OG 3.27Å; L109-S142 WeakPolarHBondContact CG-OG 3.47Å; L109-W183 HydrophobicContact CD2-CH2 4.4Å; L109-W183 HydrophobicContact CD2-CZ3 3.97Å
110F96.3Very high94.4Very high3 Ų326.1 Ų26.11%0.01313%0.131CC..Hα-helixtrans-62.8-52.2175.4-176.8-89.5000111.5A106 D107 L108 F112 T113 L114 Q139 S142 V143 W287 F327 C330A106-F110 WeakPolarHBondContact O-CB 3.23Å; A106-F110 PolarHBondContact O-N 3.44Å; D107-F110 PolarHBondContact O-N 3.47Å; L108-F110 PolarHBondContact O-N 3.39Å; F110-F112 VanDerWaalsContact C-N 3.27Å; F110-F112 PolarHBondContact O-N 2.65Å; F110-T113 WeakPolarHBondContact O-CB 3.47Å; F110-T113 PolarHBondContact O-N 3.07Å; F110-T113 PolarHBondContact O-OG1 3.48Å; F110-L114 HydrophobicContact CE1-CD2 3.95Å; F110-L114 HydrophobicContact CE1-CG 4.38Å; F110-Q139 HydrophobicContact CD2-CG 3.59Å; F110-Q139 HydrophobicContact CE2-CG 3.33Å; F110-Q139 HydrophobicContact CZ-CG 4.23Å; F110-S142 PolarHBondContact N-OG 2.89Å; F110-V143 HydrophobicContact CD2-CG2 4.11Å; F110-V143 HydrophobicContact CE2-CG2 3.92Å; F110-W287 AromaticContact CE2-CH2 3.67Å; F110-W287 HydrophobicContact CE2-CH2 3.67Å; F110-W287 AromaticContact CE2-CZ2 3.95Å; F110-W287 HydrophobicContact CE2-CZ2 3.95Å; F110-W287 AromaticContact CZ-CH2 3.91Å; F110-W287 HydrophobicContact CZ-CH2 3.91Å; F110-W287 HydrophobicContact CZ-CZ2 4.07Å; F110-F327 HydrophobicContact CE1-CB 4.34Å; F110-F327 HydrophobicContact CE1-CD1 4.29Å; F110-F327 HydrophobicContact CE1-CG 4.27Å; F110-F327 HydrophobicContact CZ-CB 4.42Å; F110-F327 AromaticContact CZ-CD1 3.56Å; F110-F327 HydrophobicContact CZ-CD1 3.56Å; F110-F327 AromaticContact CZ-CE1 3.98Å; F110-F327 HydrophobicContact CZ-CE1 3.98Å; F110-F327 AromaticContact CZ-CG 3.99Å; F110-F327 HydrophobicContact CZ-CG 3.99Å; F110-C330 HydrophobicContact CD1-CB 4.13Å
111C96.5Very high94.2Very high0 Ų025.8 Ų25.80%013%0.132CC..Hα-helixtrans-66.8-28.5-173.175.80000112.7F72 V76 D107 L108 T113 L114 P115F72-C111 HydrophobicContact CD2-CB 4.49Å; F72-C111 WeakPolarHBondContact CD2-O 3.47Å; V76-C111 WeakPolarHBondContact CG2-SG 3.31Å; D107-C111 WeakPolarHBondContact O-CB 3.38Å; D107-C111 PolarHBondContact O-N 3.21Å; D107-C111 PolarHBondContact O-SG 3.05Å; L108-C111 PolarHBondContact O-N 3.11Å; L108-C111 PolarHBondContact O-SG 3.35Å; C111-T113 PolarHBondContact O-N 2.96Å; C111-L114 HydrophobicContact CB-CD1 3.99Å; C111-L114 VanDerWaalsContact O-CB 3.3Å; C111-L114 WeakPolarHBondContact O-CB 3.37Å; C111-L114 PolarHBondContact O-N 2.88Å; C111-P115 WeakPolarHBondContact O-CD 3.46Å
112F96.2Very high93.9Very high114 Ų11426.8 Ų26.850%0.514%0.136SC..THydrogen-bonded Turntrans-62.2-20.3172.9-78.1-59000113.9F72 L108 F110F72-F112 HydrophobicContact CE2-CD1 4.03Å; F72-F112 HydrophobicContact CE2-CE1 4.4Å; L108-F112 HydrophobicContact CB-CE2 4.34Å; L108-F112 WeakPolarHBondContact O-CD2 3.29Å; L108-F112 PolarHBondContact O-N 2.83Å; F110-F112 VanDerWaalsContact C-N 3.27Å; F110-F112 PolarHBondContact O-N 2.65Å
113T95.4Very high93.5Very high3 Ų330.6 Ų30.62%0.01815%0.152CC..THydrogen-bonded Turntrans-81.1-23.2173.673.20000112.8F110 C111 F116 W117 L135 F138 Q139F110-T113 WeakPolarHBondContact O-CB 3.47Å; F110-T113 PolarHBondContact O-N 3.07Å; F110-T113 PolarHBondContact O-OG1 3.48Å; C111-T113 PolarHBondContact O-N 2.96Å; T113-F116 WeakPolarHBondContact O-CB 3.42Å; T113-F116 PolarHBondContact O-N 3.42Å; T113-F116 VanDerWaalsContact O-N 3.09Å; T113-W117 PolarHBondContact O-N 3.15Å; T113-W117 PolarHBondContact OG1-NE1 3.42Å; T113-L135 HydrophobicContact CG2-CB 4.48Å; T113-L135 HydrophobicContact CG2-CD2 3.91Å; T113-F138 HydrophobicContact CG2-CB 4.4Å; T113-Q139 HydrophobicContact CG2-CB 4.47Å
114L95Very high93.1Very high0 Ų030.8 Ų30.80%015%0.154CC..Hα-helixtrans-58.5-38.8-173.2-66.9174.7000115.2V71 F72 F110 C111 F116 W117 A118 F327V71-L114 HydrophobicContact CB-CD1 4.1Å; V71-L114 HydrophobicContact CG1-CD1 3.57Å; F72-L114 HydrophobicContact CB-CB 4.29Å; F72-L114 HydrophobicContact CB-CD1 4.42Å; F110-L114 HydrophobicContact CE1-CD2 3.95Å; F110-L114 HydrophobicContact CE1-CG 4.38Å; C111-L114 HydrophobicContact CB-CD1 3.99Å; C111-L114 VanDerWaalsContact O-CB 3.3Å; C111-L114 WeakPolarHBondContact O-CB 3.37Å; C111-L114 PolarHBondContact O-N 2.88Å; L114-F116 PolarHBondContact O-N 3.3Å; L114-W117 PolarHBondContact O-N 2.87Å; L114-A118 WeakPolarHBondContact O-CB 3.36Å; L114-A118 PolarHBondContact O-N 3.34Å; L114-F327 HydrophobicContact CD2-CB 4.19Å; L114-F327 HydrophobicContact CD2-CD2 3.38Å; L114-F327 HydrophobicContact CD2-CE2 3.94Å; L114-F327 HydrophobicContact CD2-CG 3.95Å
115P95.3Very high92.8Very high36 Ų3630.8 Ų30.823%0.23415%0.154CC..Hα-helixtrans-58.8-34.7176.4-26.436.2000113.2F72 C111 A118 V119F72-P115 HydrophobicContact CD1-CG 4.13Å; F72-P115 HydrophobicContact CD2-CG 3.92Å; F72-P115 HydrophobicContact CE1-CG 4.26Å; F72-P115 HydrophobicContact CE2-CG 4.03Å; F72-P115 HydrophobicContact CG-CG 3.95Å; F72-P115 HydrophobicContact CZ-CG 4.2Å; C111-P115 WeakPolarHBondContact O-CD 3.46Å; P115-A118 WeakPolarHBondContact O-CB 3.08Å; P115-A118 PolarHBondContact O-N 3.32Å; P115-V119 WeakPolarHBondContact O-CG2 3.37Å; P115-V119 PolarHBondContact O-N 2.86Å; P115-V119 VanDerWaalsContact O-N 3.1Å
116F94.6Very high92.5Very high67 Ų6732.9 Ų32.929%0.29417%0.165SC..Hα-helixtrans-70.1-43178.1-60.5-93.7000111.1T113 L114 A118 V119 E120 W125 F127 L135T113-F116 WeakPolarHBondContact O-CB 3.42Å; T113-F116 PolarHBondContact O-N 3.42Å; T113-F116 VanDerWaalsContact O-N 3.09Å; L114-F116 PolarHBondContact O-N 3.3Å; F116-A118 VanDerWaalsContact C-N 3.27Å; F116-A118 PolarHBondContact O-N 3.24Å; F116-V119 PolarHBondContact O-N 3.31Å; F116-E120 PolarHBondContact O-N 3.38Å; F116-W125 HydrophobicContact CB-CH2 4.45Å; F116-W125 HydrophobicContact CB-CZ3 4.43Å; F116-F127 HydrophobicContact CB-CD2 4.39Å; F116-F127 HydrophobicContact CB-CE2 3.99Å; F116-F127 HydrophobicContact CB-CZ 4.49Å; F116-F127 AromaticContact CD1-CD1 3.84Å; F116-F127 HydrophobicContact CD1-CD1 3.84Å; F116-F127 AromaticContact CD1-CD2 3.77Å; F116-F127 HydrophobicContact CD1-CD2 3.77Å; F116-F127 AromaticContact CD1-CE1 3.7Å; F116-F127 HydrophobicContact CD1-CE1 3.7Å; F116-F127 AromaticContact CD1-CE2 3.63Å; F116-F127 HydrophobicContact CD1-CE2 3.63Å; F116-F127 AromaticContact CD1-CG 3.88Å; F116-F127 HydrophobicContact CD1-CG 3.88Å; F116-F127 AromaticContact CD1-CZ 3.59Å; F116-F127 HydrophobicContact CD1-CZ 3.59Å; F116-F127 AromaticContact CE1-CD1 3.99Å; F116-F127 HydrophobicContact CE1-CD1 3.99Å; F116-F127 AromaticContact CE1-CE1 3.92Å; F116-F127 HydrophobicContact CE1-CE1 3.92Å; F116-F127 HydrophobicContact CE1-CG 4.38Å; F116-F127 HydrophobicContact CE1-CZ 4.24Å; F116-F127 HydrophobicContact CG-CE2 4.27Å; F116-F127 HydrophobicContact CG-CZ 4.39Å; F116-L135 HydrophobicContact CB-CD1 3.71Å; F116-L135 HydrophobicContact CD1-CD1 3.5Å; F116-L135 VanDerWaalsContact CD1-CD1 3.5Å; F116-L135 HydrophobicContact CD2-CD1 3.79Å; F116-L135 HydrophobicContact CD2-CD2 3.96Å; F116-L135 HydrophobicContact CE1-CD1 4.01Å; F116-L135 HydrophobicContact CE2-CD1 4.27Å; F116-L135 HydrophobicContact CE2-CD2 4.07Å; F116-L135 HydrophobicContact CG-CD1 3.38Å; F116-L135 HydrophobicContact CG-CD2 4.41Å; F116-L135 HydrophobicContact CZ-CD1 4.37Å
117W92.6Very high92.1Very high6 Ų636.3 Ų36.32%0.02318%0.18CC..Hα-helixtrans-66.7-28.7174-57.9119.3000112.8Y68 T113 L114 E120 S121 W125 S136 C218 F327Y68-W117 HydrophobicContact CD2-CB 4.23Å; Y68-W117 HydrophobicContact CE2-CB 4.24Å; T113-W117 PolarHBondContact O-N 3.15Å; T113-W117 PolarHBondContact OG1-NE1 3.42Å; L114-W117 PolarHBondContact O-N 2.87Å; W117-E120 PolarHBondContact O-N 3.27Å; W117-S121 WeakPolarHBondContact O-CB 3.42Å; W117-S121 PolarHBondContact O-N 2.93Å; W117-W125 HydrophobicContact CE3-CZ3 4.24Å; W117-W125 HydrophobicContact CZ3-CZ3 4.11Å; W117-S136 WeakPolarHBondContact CH2-OG 3.35Å; W117-C218 HydrophobicContact CZ3-CB 4.23Å; W117-F327 HydrophobicContact CB-CE2 4.35Å; W117-F327 HydrophobicContact CG-CE2 4.44Å
118A91.8Very high91.8Very high1 Ų137 Ų371%0.00819%0.189CC..Hα-helixtrans-66.9-45.4173.500000111.1L65 Y68 I69 L114 P115 F116 S121L65-A118 HydrophobicContact CG-CB 4.22Å; Y68-A118 HydrophobicContact CD2-CB 4.15Å; Y68-A118 HydrophobicContact CG-CB 4.48Å; I69-A118 HydrophobicContact CD1-CB 4.08Å; I69-A118 HydrophobicContact CG1-CB 4.37Å; L114-A118 WeakPolarHBondContact O-CB 3.36Å; L114-A118 PolarHBondContact O-N 3.34Å; P115-A118 WeakPolarHBondContact O-CB 3.08Å; P115-A118 PolarHBondContact O-N 3.32Å; F116-A118 VanDerWaalsContact C-N 3.27Å; F116-A118 PolarHBondContact O-N 3.24Å; A118-S121 PolarHBondContact O-N 3.44Å; A118-S121 PolarHBondContact O-OG 2.94Å
119V91.9Very high91.4Very high39 Ų3938.5 Ų38.524%0.23620%0.199CC..Hα-helixtrans-61.9-45.6173.5173.60000110.7P115 F116 S121 H122 F123 L126 F127P115-V119 WeakPolarHBondContact O-CG2 3.37Å; P115-V119 PolarHBondContact O-N 2.86Å; P115-V119 VanDerWaalsContact O-N 3.1Å; F116-V119 PolarHBondContact O-N 3.31Å; V119-S121 VanDerWaalsContact C-N 3.31Å; V119-S121 PolarHBondContact O-N 3.5Å; V119-H122 PolarHBondContact O-N 3.26Å; V119-F123 HydrophobicContact CG1-CB 4.24Å; V119-F123 HydrophobicContact CG1-CD2 4.28Å; V119-F123 PolarHBondContact O-N 3.46Å; V119-L126 HydrophobicContact CG1-CD1 3.87Å; V119-L126 HydrophobicContact CG1-CG 4.26Å; V119-F127 HydrophobicContact CB-CE2 4.03Å; V119-F127 HydrophobicContact CB-CZ 4.04Å; V119-F127 HydrophobicContact CG1-CE2 4.01Å; V119-F127 HydrophobicContact CG1-CZ 4Å; V119-F127 HydrophobicContact CG2-CZ 4.2Å
120E89.1Confident91.1Very high32 Ų3241.9 Ų41.915%0.1522%0.217CC..Hα-helixtrans-53.2-48.2176.6-171.6-159.3-144.600111.8F116 W117 H122 G124 W125 C218F116-E120 PolarHBondContact O-N 3.38Å; W117-E120 PolarHBondContact O-N 3.27Å; E120-H122 PolarHBondContact O-N 2.9Å; E120-H122 VanDerWaalsContact O-N 3.08Å; E120-G124 WeakPolarHBondContact CA-O 3.42Å; E120-G124 VanDerWaalsContact O-CA 3.28Å; E120-G124 WeakPolarHBondContact O-CA 3.31Å; E120-G124 PolarHBondContact O-N 3.44Å; E120-W125 HydrophobicContact CB-CE3 4.1Å; E120-W125 HydrophobicContact CG-CE3 4.14Å; E120-C218 PolarHBondContact OE1-N 3.35Å
121S85.7Confident90.9Very high32 Ų3243.9 Ų43.922%0.22423%0.23CC..Hα-helixtrans-59.5-24.8-174.969.30000114.8S61 W117 A118 V119S61-S121 WeakPolarHBondContact CB-O 3.31Å; W117-S121 WeakPolarHBondContact O-CB 3.42Å; W117-S121 PolarHBondContact O-N 2.93Å; A118-S121 PolarHBondContact O-N 3.44Å; A118-S121 PolarHBondContact O-OG 2.94Å; V119-S121 VanDerWaalsContact C-N 3.31Å; V119-S121 PolarHBondContact O-N 3.5Å
122H86.2Confident90.7Very high52 Ų5243.9 Ų43.924%0.24123%0.23CC..Hα-helixtrans-115.4-48.5-176.5-17165.7000113.3S61 L65 V119 E120 K215S61-H122 PolarHBondContact OG-ND1 3.38Å; L65-H122 HydrophobicContact CB-CB 4.36Å; L65-H122 HydrophobicContact CD1-CB 3.81Å; V119-H122 PolarHBondContact O-N 3.26Å; E120-H122 PolarHBondContact O-N 2.9Å; E120-H122 VanDerWaalsContact O-N 3.08Å; H122-K215 PolarHBondContact O-NZ 2.85Å
123F85.3Confident90.5Very high112 Ų11240.7 Ų40.749%0.49122%0.216SC..Hα-helixtrans-95.8-10.7-175.7-62.3-71.2000113.5L65 V119 L126L65-F123 HydrophobicContact CD1-CD2 4.47Å; L65-F123 HydrophobicContact CD1-CE2 4.09Å; V119-F123 HydrophobicContact CG1-CB 4.24Å; V119-F123 HydrophobicContact CG1-CD2 4.28Å; V119-F123 PolarHBondContact O-N 3.46Å; F123-L126 HydrophobicContact CB-CD1 4.13Å
124G85.5Confident90.3Very high4 Ų446.3 Ų46.34%0.04124%0.24CC..  trans83.5177.2-166.600000111.9E120 L126E120-G124 WeakPolarHBondContact CA-O 3.42Å; E120-G124 VanDerWaalsContact O-CA 3.28Å; E120-G124 WeakPolarHBondContact O-CA 3.31Å; E120-G124 PolarHBondContact O-N 3.44Å; G124-L126 PolarHBondContact O-N 3.3Å
125W88.8Confident90.2Very high3 Ų347.3 Ų47.31%0.01125%0.245CC..  trans-76.5120.3-179.5-170.7-99.9000111F116 W117 E120 F127 G128 P131 C132 L135 A216 C218F116-W125 HydrophobicContact CB-CH2 4.45Å; F116-W125 HydrophobicContact CB-CZ3 4.43Å; W117-W125 HydrophobicContact CE3-CZ3 4.24Å; W117-W125 HydrophobicContact CZ3-CZ3 4.11Å; E120-W125 HydrophobicContact CB-CE3 4.1Å; E120-W125 HydrophobicContact CG-CE3 4.14Å; W125-F127 HydrophobicContact CD2-CD2 4.21Å; W125-F127 HydrophobicContact CE3-CD2 4.21Å; W125-F127 AromaticContact CH2-CD2 3.99Å; W125-F127 HydrophobicContact CH2-CD2 3.99Å; W125-F127 HydrophobicContact CZ2-CB 3.76Å; W125-F127 AromaticContact CZ2-CD2 3.95Å; W125-F127 HydrophobicContact CZ2-CD2 3.95Å; W125-F127 HydrophobicContact CZ2-CG 4.32Å; W125-F127 HydrophobicContact CZ3-CD2 4.11Å; W125-G128 PolarHBondContact NE1-O 2.93Å; W125-P131 HydrophobicContact CZ2-CB 4.07Å; W125-C132 HydrophobicContact CH2-CB 4.39Å; W125-C132 HydrophobicContact CZ2-CB 3.62Å; W125-C132 VanDerWaalsContact CZ2-N 3.27Å; W125-L135 HydrophobicContact CH2-CD1 3.81Å; W125-L135 HydrophobicContact CZ2-CD1 4.44Å; W125-A216 HydrophobicContact CB-CB 4.26Å; W125-A216 WeakPolarHBondContact CB-O 3.48Å; W125-A216 PolarHBondContact N-O 2.72Å; W125-C218 HydrophobicContact CD2-CB 3.7Å; W125-C218 HydrophobicContact CE3-CB 3.69Å; W125-C218 HydrophobicContact CG-CB 4.11Å; W125-C218 HydrophobicContact CZ3-CB 4.14Å
126L90.3Very high90.1Very high110 Ų11045.8 Ų45.858%0.57624%0.235SC*.  trans-115.5-1.6-175.5-56.7179.4000113.8V119 F123 G124V119-L126 HydrophobicContact CG1-CD1 3.87Å; V119-L126 HydrophobicContact CG1-CG 4.26Å; F123-L126 HydrophobicContact CB-CD1 4.13Å; G124-L126 PolarHBondContact O-N 3.3Å
127F89.6Confident89.9Confident71 Ų7143.3 Ų43.331%0.31123%0.226SC..SBendtrans-100.5-3.3-165-53.7-76.1000114F116 V119 W125 P131F116-F127 HydrophobicContact CB-CD2 4.39Å; F116-F127 HydrophobicContact CB-CE2 3.99Å; F116-F127 HydrophobicContact CB-CZ 4.49Å; F116-F127 AromaticContact CD1-CD1 3.84Å; F116-F127 HydrophobicContact CD1-CD1 3.84Å; F116-F127 AromaticContact CD1-CD2 3.77Å; F116-F127 HydrophobicContact CD1-CD2 3.77Å; F116-F127 AromaticContact CD1-CE1 3.7Å; F116-F127 HydrophobicContact CD1-CE1 3.7Å; F116-F127 AromaticContact CD1-CE2 3.63Å; F116-F127 HydrophobicContact CD1-CE2 3.63Å; F116-F127 AromaticContact CD1-CG 3.88Å; F116-F127 HydrophobicContact CD1-CG 3.88Å; F116-F127 AromaticContact CD1-CZ 3.59Å; F116-F127 HydrophobicContact CD1-CZ 3.59Å; F116-F127 AromaticContact CE1-CD1 3.99Å; F116-F127 HydrophobicContact CE1-CD1 3.99Å; F116-F127 AromaticContact CE1-CE1 3.92Å; F116-F127 HydrophobicContact CE1-CE1 3.92Å; F116-F127 HydrophobicContact CE1-CG 4.38Å; F116-F127 HydrophobicContact CE1-CZ 4.24Å; F116-F127 HydrophobicContact CG-CE2 4.27Å; F116-F127 HydrophobicContact CG-CZ 4.39Å; V119-F127 HydrophobicContact CB-CE2 4.03Å; V119-F127 HydrophobicContact CB-CZ 4.04Å; V119-F127 HydrophobicContact CG1-CE2 4.01Å; V119-F127 HydrophobicContact CG1-CZ 4Å; V119-F127 HydrophobicContact CG2-CZ 4.2Å; W125-F127 HydrophobicContact CD2-CD2 4.21Å; W125-F127 HydrophobicContact CE3-CD2 4.21Å; W125-F127 AromaticContact CH2-CD2 3.99Å; W125-F127 HydrophobicContact CH2-CD2 3.99Å; W125-F127 HydrophobicContact CZ2-CB 3.76Å; W125-F127 AromaticContact CZ2-CD2 3.95Å; W125-F127 HydrophobicContact CZ2-CD2 3.95Å; W125-F127 HydrophobicContact CZ2-CG 4.32Å; W125-F127 HydrophobicContact CZ3-CD2 4.11Å; F127-P131 HydrophobicContact CB-CB 3.82Å; F127-P131 HydrophobicContact CB-CG 4.02Å; F127-P131 WeakPolarHBondContact O-CD 3.47Å; F127-P131 WeakPolarHBondContact O-CG 3.4Å
128G88.7Confident90Very high22 Ų2247.6 Ų47.623%0.22725%0.246CC..  trans82173.6-177.100000114.3W125 L130 C132 E199W125-G128 PolarHBondContact NE1-O 2.93Å; G128-L130 PolarHBondContact O-N 3.41Å; G128-C132 PolarHBondContact O-N 2.77Å; G128-E199 WeakPolarHBondContact CA-OE2 3.44Å
129T88.7Confident90Very high50 Ų5048.4 Ų48.431%0.30725%0.249SC..Hα-helixtrans-63.7-38.5-177.5-63.70000114.1C132 K133 E198 E199T129-C132 WeakPolarHBondContact O-CB 3.48Å; T129-C132 PolarHBondContact O-N 3.32Å; T129-K133 HydrophobicContact CG2-CD 4.13Å; T129-K133 HydrophobicContact CG2-CG 4.41Å; T129-K133 WeakPolarHBondContact O-CG 3.48Å; T129-K133 PolarHBondContact O-N 2.82Å; T129-E198 HydrophobicContact CG2-CB 4.28Å; T129-E198 HydrophobicContact CG2-CG 4.16Å; T129-E199 PolarHBondContact N-OE2 3.15Å; T129-E199 WeakPolarHBondContact OG1-CB 3.34Å
130L90.6Very high90Very high123 Ų12348.1 Ų48.164%0.64425%0.245SC*.Hα-helixtrans-62.7-53.6-175.9-75.8175.8000112.1G128 C132 K133 F134G128-L130 PolarHBondContact O-N 3.41Å; L130-C132 VanDerWaalsContact C-N 3.26Å; L130-C132 PolarHBondContact O-N 2.66Å; L130-K133 PolarHBondContact O-N 3.03Å; L130-F134 HydrophobicContact CD2-CE2 4.41Å; L130-F134 WeakPolarHBondContact O-CD2 3.3Å; L130-F134 PolarHBondContact O-N 3.14Å; L130-F134 VanDerWaalsContact O-N 3.09Å
131P91.7Very high90.2Very high44 Ų4447 Ų4729%0.28624%0.241SC..Hα-helixtrans-60.3-33.2172.9-27.939.6000113.3W125 F127 K133 F134 L135W125-P131 HydrophobicContact CZ2-CB 4.07Å; F127-P131 HydrophobicContact CB-CB 3.82Å; F127-P131 HydrophobicContact CB-CG 4.02Å; F127-P131 WeakPolarHBondContact O-CD 3.47Å; F127-P131 WeakPolarHBondContact O-CG 3.4Å; P131-K133 VanDerWaalsContact C-N 3.33Å; P131-K133 PolarHBondContact O-N 3.28Å; P131-F134 PolarHBondContact O-N 3.3Å; P131-L135 HydrophobicContact CB-CD1 3.98Å; P131-L135 WeakPolarHBondContact O-CB 3.4Å; P131-L135 WeakPolarHBondContact O-CD1 3.41Å; P131-L135 VanDerWaalsContact O-CG 3.23Å; P131-L135 WeakPolarHBondContact O-CG 3.47Å; P131-L135 PolarHBondContact O-N 3.1Å
132C91.6Very high90.6Very high0 Ų045.7 Ų45.70%023%0.232CC..Hα-helixtrans-60.2-45.2177.6169.10000110.7W125 G128 T129 L130 S136 C218W125-C132 HydrophobicContact CH2-CB 4.39Å; W125-C132 HydrophobicContact CZ2-CB 3.62Å; W125-C132 VanDerWaalsContact CZ2-N 3.27Å; G128-C132 PolarHBondContact O-N 2.77Å; T129-C132 WeakPolarHBondContact O-CB 3.48Å; T129-C132 PolarHBondContact O-N 3.32Å; L130-C132 VanDerWaalsContact C-N 3.26Å; L130-C132 PolarHBondContact O-N 2.66Å; C132-S136 WeakPolarHBondContact O-CB 3.3Å; C132-S136 PolarHBondContact O-N 3.34Å; C132-S136 PolarHBondContact O-OG 3.4Å; C132-C218 WeakPolarHBondContact CA-SG 3.48Å; C132-C218 HydrophobicContact CB-CB 3.89Å; C132-C218 WeakPolarHBondContact CB-SG 3.47Å; C132-C218 WeakPolarHBondContact SG-CA 3.37Å; C132-C218 WeakPolarHBondContact SG-CB 3.39Å; C132-C218 CovalentContact SG-SG 2.03Å; C132-C218 PolarHBondContact SG-SG 2.89Å
133K91.9Very high90.8Very high48 Ų4843.7 Ų43.721%0.20922%0.223CC..Hα-helixtrans-62.7-52175.3-71-177.5177.1-171.60112.4T129 L130 P131 S137 A194 R197 E198T129-K133 HydrophobicContact CG2-CD 4.13Å; T129-K133 HydrophobicContact CG2-CG 4.41Å; T129-K133 WeakPolarHBondContact O-CG 3.48Å; T129-K133 PolarHBondContact O-N 2.82Å; L130-K133 PolarHBondContact O-N 3.03Å; P131-K133 VanDerWaalsContact C-N 3.33Å; P131-K133 PolarHBondContact O-N 3.28Å; K133-S137 VanDerWaalsContact O-CB 3.28Å; K133-S137 WeakPolarHBondContact O-CB 3.5Å; K133-S137 PolarHBondContact O-N 2.82Å; K133-A194 VanDerWaalsContact CD-O 3.29Å; K133-A194 WeakPolarHBondContact CD-O 3.27Å; K133-A194 WeakPolarHBondContact CG-O 3.48Å; K133-R197 WeakPolarHBondContact CE-O 3.39Å; K133-R197 WeakPolarHBondContact CG-O 3.37Å; K133-E198 VanDerWaalsContact CE-CG 3.49Å; K133-E198 WeakPolarHBondContact CE-OE1 3.23Å; K133-E198 IonicContact NZ-OE1 2.74Å; K133-E198 PolarHBondContact NZ-OE1 2.96Å
134F91.7Very high91.2Very high120 Ų12038.5 Ų38.553%0.52620%0.201SC..Hα-helixtrans-69.1-45.8-174.8-76.2-64.9000113L130 P131 S137 F138L130-F134 HydrophobicContact CD2-CE2 4.41Å; L130-F134 WeakPolarHBondContact O-CD2 3.3Å; L130-F134 PolarHBondContact O-N 3.14Å; L130-F134 VanDerWaalsContact O-N 3.09Å; P131-F134 PolarHBondContact O-N 3.3Å; F134-S137 PolarHBondContact O-N 3.25Å; F134-F138 WeakPolarHBondContact O-CD2 3.5Å; F134-F138 WeakPolarHBondContact O-CG 3.28Å; F134-F138 PolarHBondContact O-N 3.39Å
135L93.7Very high91.6Very high21 Ų2138.3 Ų38.311%0.1120%0.199CC..Hα-helixtrans-67.5-41.4-178.5-66.4167.1000111.1T113 F116 W125 P131 S137 F138 Q139T113-L135 HydrophobicContact CG2-CB 4.48Å; T113-L135 HydrophobicContact CG2-CD2 3.91Å; F116-L135 HydrophobicContact CB-CD1 3.71Å; F116-L135 HydrophobicContact CD1-CD1 3.5Å; F116-L135 VanDerWaalsContact CD1-CD1 3.5Å; F116-L135 HydrophobicContact CD2-CD1 3.79Å; F116-L135 HydrophobicContact CD2-CD2 3.96Å; F116-L135 HydrophobicContact CE1-CD1 4.01Å; F116-L135 HydrophobicContact CE2-CD1 4.27Å; F116-L135 HydrophobicContact CE2-CD2 4.07Å; F116-L135 HydrophobicContact CG-CD1 3.38Å; F116-L135 HydrophobicContact CG-CD2 4.41Å; F116-L135 HydrophobicContact CZ-CD1 4.37Å; W125-L135 HydrophobicContact CH2-CD1 3.81Å; W125-L135 HydrophobicContact CZ2-CD1 4.44Å; P131-L135 HydrophobicContact CB-CD1 3.98Å; P131-L135 WeakPolarHBondContact O-CB 3.4Å; P131-L135 WeakPolarHBondContact O-CD1 3.41Å; P131-L135 VanDerWaalsContact O-CG 3.23Å; P131-L135 WeakPolarHBondContact O-CG 3.47Å; P131-L135 PolarHBondContact O-N 3.1Å; L135-S137 VanDerWaalsContact C-N 3.34Å; L135-S137 PolarHBondContact O-N 3.42Å; L135-F138 PolarHBondContact O-N 3.5Å; L135-Q139 VanDerWaalsContact O-CB 3.24Å; L135-Q139 WeakPolarHBondContact O-CB 3.42Å; L135-Q139 PolarHBondContact O-N 3.37Å
136S91.8Very high91.9Very high4 Ų438.3 Ų38.33%0.02820%0.199CC..Hα-helixtrans-60.9-43.3172.8-58.70000111.7W117 C132 Q139 E140W117-S136 WeakPolarHBondContact CH2-OG 3.35Å; C132-S136 WeakPolarHBondContact O-CB 3.3Å; C132-S136 PolarHBondContact O-N 3.34Å; C132-S136 PolarHBondContact O-OG 3.4Å; S136-Q139 PolarHBondContact O-N 2.86Å; S136-E140 WeakPolarHBondContact O-CG 3.36Å; S136-E140 PolarHBondContact O-N 2.94Å
137S91.6Very high92Very high15 Ų1533.1 Ų33.111%0.10517%0.172CC..Hα-helixtrans-66.6-44.2179.1-174.30000112.7K133 F134 L135 Q139 E140 A141 S190K133-S137 VanDerWaalsContact O-CB 3.28Å; K133-S137 WeakPolarHBondContact O-CB 3.5Å; K133-S137 PolarHBondContact O-N 2.82Å; F134-S137 PolarHBondContact O-N 3.25Å; L135-S137 VanDerWaalsContact C-N 3.34Å; L135-S137 PolarHBondContact O-N 3.42Å; S137-Q139 VanDerWaalsContact C-N 3.32Å; S137-Q139 PolarHBondContact O-N 2.85Å; S137-E140 PolarHBondContact O-N 2.81Å; S137-A141 VanDerWaalsContact O-CB 3.29Å; S137-A141 WeakPolarHBondContact O-CB 3.38Å; S137-A141 PolarHBondContact O-N 2.9Å; S137-S190 WeakPolarHBondContact O-CB 3.35Å; S137-S190 PolarHBondContact OG-OG 3.02Å
138F93.3Very high92.2Very high97 Ų9731.1 Ų31.143%0.42516%0.164SC..Hα-helixtrans-63.7-40.6176.3-74.8-36.3000111.9L109 T113 F134 L135 A141 S142L109-F138 HydrophobicContact CD1-CB 4.22Å; L109-F138 HydrophobicContact CD1-CD1 4.3Å; L109-F138 HydrophobicContact CD1-CG 4.12Å; L109-F138 HydrophobicContact CD2-CD1 4.36Å; L109-F138 HydrophobicContact CG-CB 4.3Å; T113-F138 HydrophobicContact CG2-CB 4.4Å; F134-F138 WeakPolarHBondContact O-CD2 3.5Å; F134-F138 WeakPolarHBondContact O-CG 3.28Å; F134-F138 PolarHBondContact O-N 3.39Å; L135-F138 PolarHBondContact O-N 3.5Å; F138-A141 PolarHBondContact O-N 3.22Å; F138-S142 WeakPolarHBondContact O-CB 3.44Å; F138-S142 PolarHBondContact O-N 2.86Å; F138-S142 PolarHBondContact O-OG 3.35Å
139Q92.6Very high92.4Very high18 Ų1830.1 Ų30.18%0.08415%0.153CC..Hα-helixtrans-60-49.3176.4-169.5176.69.400111.2F110 T113 L135 S136 S137 S142 V143F110-Q139 HydrophobicContact CD2-CG 3.59Å; F110-Q139 HydrophobicContact CE2-CG 3.33Å; F110-Q139 HydrophobicContact CZ-CG 4.23Å; T113-Q139 HydrophobicContact CG2-CB 4.47Å; L135-Q139 VanDerWaalsContact O-CB 3.24Å; L135-Q139 WeakPolarHBondContact O-CB 3.42Å; L135-Q139 PolarHBondContact O-N 3.37Å; S136-Q139 PolarHBondContact O-N 2.86Å; S137-Q139 VanDerWaalsContact C-N 3.32Å; S137-Q139 PolarHBondContact O-N 2.85Å; Q139-S142 WeakPolarHBondContact O-CB 3.35Å; Q139-S142 PolarHBondContact O-N 3.32Å; Q139-V143 WeakPolarHBondContact O-CG2 3.1Å; Q139-V143 PolarHBondContact O-N 2.88Å
140E90.8Very high92.5Very high33 Ų3327.8 Ų27.815%0.15414%0.139CC..Hα-helixtrans-64.6-43.6178.2-73.6-74.8129.200112.6S136 S137 S142 V143 Y144 V193S136-E140 WeakPolarHBondContact O-CG 3.36Å; S136-E140 PolarHBondContact O-N 2.94Å; S137-E140 PolarHBondContact O-N 2.81Å; E140-S142 VanDerWaalsContact C-N 3.29Å; E140-S142 PolarHBondContact O-N 3.5Å; E140-V143 PolarHBondContact O-N 3.21Å; E140-V143 VanDerWaalsContact O-N 3.11Å; E140-Y144 HydrophobicContact CB-CE2 4.16Å; E140-Y144 VanDerWaalsContact O-CD2 3.27Å; E140-Y144 WeakPolarHBondContact O-CD2 3.32Å; E140-Y144 PolarHBondContact O-N 3.49Å; E140-Y144 PolarHBondContact OE2-OH 2.89Å; E140-V193 HydrophobicContact CB-CG2 4.48Å; E140-V193 HydrophobicContact CG-CB 4.41Å; E140-V193 HydrophobicContact CG-CG1 4.1Å; E140-V193 HydrophobicContact CG-CG2 4Å
141A93.5Very high92.6Very high8 Ų822.5 Ų22.57%0.06611%0.113CC..Hα-helixtrans-61.3-38.3175.700000112S137 F138 S145 S186S137-A141 VanDerWaalsContact O-CB 3.29Å; S137-A141 WeakPolarHBondContact O-CB 3.38Å; S137-A141 PolarHBondContact O-N 2.9Å; F138-A141 PolarHBondContact O-N 3.22Å; A141-S145 VanDerWaalsContact O-CB 3.28Å; A141-S145 WeakPolarHBondContact O-CB 3.42Å; A141-S145 PolarHBondContact O-N 3.19Å; A141-S145 PolarHBondContact O-OG 3.2Å; A141-S186 WeakPolarHBondContact O-CB 3.35Å
142S94.4Very high92.5Very high5 Ų521.7 Ų21.74%0.03511%0.108CC..Hα-helixtrans-62.6-40.8172.9-82.60000112.4A106 L109 F110 F138 Q139 E140 S145 G146A106-S142 WeakPolarHBondContact O-CB 3.28Å; A106-S142 PolarHBondContact O-OG 3.43Å; L109-S142 WeakPolarHBondContact CB-OG 3.4Å; L109-S142 WeakPolarHBondContact CD2-OG 3.27Å; L109-S142 WeakPolarHBondContact CG-OG 3.47Å; F110-S142 PolarHBondContact N-OG 2.89Å; F138-S142 WeakPolarHBondContact O-CB 3.44Å; F138-S142 PolarHBondContact O-N 2.86Å; F138-S142 PolarHBondContact O-OG 3.35Å; Q139-S142 WeakPolarHBondContact O-CB 3.35Å; Q139-S142 PolarHBondContact O-N 3.32Å; E140-S142 VanDerWaalsContact C-N 3.29Å; E140-S142 PolarHBondContact O-N 3.5Å; S142-S145 WeakPolarHBondContact CA-OG 3.33Å; S142-S145 PolarHBondContact O-OG 3.03Å; S142-G146 PolarHBondContact O-N 3.48Å
143V91.5Very high92.3Very high9 Ų921.9 Ų21.96%0.05511%0.109CC..Hα-helixtrans-65.6-51.2176.9177.50000110.6F110 Q139 E140 S145 G146 V147 W287F110-V143 HydrophobicContact CD2-CG2 4.11Å; F110-V143 HydrophobicContact CE2-CG2 3.92Å; Q139-V143 WeakPolarHBondContact O-CG2 3.1Å; Q139-V143 PolarHBondContact O-N 2.88Å; E140-V143 PolarHBondContact O-N 3.21Å; E140-V143 VanDerWaalsContact O-N 3.11Å; V143-S145 VanDerWaalsContact C-N 3.34Å; V143-S145 PolarHBondContact O-N 3.32Å; V143-G146 PolarHBondContact O-N 3Å; V143-V147 HydrophobicContact CG1-CG2 4.39Å; V143-V147 VanDerWaalsContact O-CG2 3.28Å; V143-V147 WeakPolarHBondContact O-CG2 3.23Å; V143-V147 PolarHBondContact O-N 3.32Å; V143-W287 HydrophobicContact CB-CH2 4.34Å; V143-W287 HydrophobicContact CB-CZ3 4.49Å; V143-W287 HydrophobicContact CG1-CD2 4.21Å; V143-W287 HydrophobicContact CG1-CE3 3.99Å; V143-W287 HydrophobicContact CG1-CH2 4.21Å; V143-W287 HydrophobicContact CG1-CZ2 4.38Å; V143-W287 HydrophobicContact CG1-CZ3 3.98Å; V143-W287 HydrophobicContact CG2-CE3 4.39Å; V143-W287 HydrophobicContact CG2-CH2 3.16Å; V143-W287 HydrophobicContact CG2-CZ2 3.53Å; V143-W287 HydrophobicContact CG2-CZ3 3.63Å
144Y92.8Very high92Very high4 Ų419.6 Ų19.62%0.01610%0.099CC..Hα-helixtrans-60.2-43.6178.8-63.8-40.6000112.1E140 G146 V147 F148 L189 R238E140-Y144 HydrophobicContact CB-CE2 4.16Å; E140-Y144 VanDerWaalsContact O-CD2 3.27Å; E140-Y144 WeakPolarHBondContact O-CD2 3.32Å; E140-Y144 PolarHBondContact O-N 3.49Å; E140-Y144 PolarHBondContact OE2-OH 2.89Å; Y144-G146 VanDerWaalsContact C-N 3.33Å; Y144-G146 PolarHBondContact O-N 3.04Å; Y144-V147 PolarHBondContact O-N 2.9Å; Y144-F148 WeakPolarHBondContact O-CB 3.37Å; Y144-F148 VanDerWaalsContact O-CD2 3.3Å; Y144-F148 WeakPolarHBondContact O-CD2 3.26Å; Y144-F148 VanDerWaalsContact O-CG 3.23Å; Y144-F148 WeakPolarHBondContact O-CG 3.3Å; Y144-F148 PolarHBondContact O-N 3.39Å; Y144-L189 HydrophobicContact CD2-CB 3.78Å; Y144-L189 HydrophobicContact CE2-CB 3.91Å; Y144-L189 HydrophobicContact CG-CB 4.49Å; Y144-R238 WeakPolarHBondContact OH-CD 3.43Å; Y144-R238 VanDerWaalsContact OH-CG 3.29Å; Y144-R238 WeakPolarHBondContact OH-CG 3.08Å
145S94.8Very high91.7Very high0 Ų016.3 Ų16.30%09%0.088CC..Hα-helixtrans-63.4-41.2177.357.10000111.2A106 A141 S142 V143 F148 L149 S186A106-S145 WeakPolarHBondContact CB-OG 3.28Å; A141-S145 VanDerWaalsContact O-CB 3.28Å; A141-S145 WeakPolarHBondContact O-CB 3.42Å; A141-S145 PolarHBondContact O-N 3.19Å; A141-S145 PolarHBondContact O-OG 3.2Å; S142-S145 WeakPolarHBondContact CA-OG 3.33Å; S142-S145 PolarHBondContact O-OG 3.03Å; V143-S145 VanDerWaalsContact C-N 3.34Å; V143-S145 PolarHBondContact O-N 3.32Å; S145-F148 PolarHBondContact O-N 3.25Å; S145-L149 VanDerWaalsContact O-CB 3.23Å; S145-L149 WeakPolarHBondContact O-CB 3.17Å; S145-L149 WeakPolarHBondContact O-CD1 3.21Å; S145-L149 WeakPolarHBondContact O-CG 3.41Å; S145-L149 PolarHBondContact O-N 3.25Å; S145-S186 WeakPolarHBondContact CA-OG 3.25Å; S145-S186 WeakPolarHBondContact CB-OG 3.49Å; S145-S186 PolarHBondContact N-OG 2.82Å
146G93.9Very high91.3Very high2 Ų216 Ų162%0.0219%0.087CC..Hα-helixtrans-57.7-50.9173.100000112.9S142 V143 Y144 F148 L149 L150S142-G146 PolarHBondContact O-N 3.48Å; V143-G146 PolarHBondContact O-N 3Å; Y144-G146 VanDerWaalsContact C-N 3.33Å; Y144-G146 PolarHBondContact O-N 3.04Å; G146-F148 PolarHBondContact O-N 2.84Å; G146-L149 PolarHBondContact O-N 3.34Å; G146-L150 WeakPolarHBondContact O-CG 3.41Å; G146-L150 PolarHBondContact O-N 3.47Å
147V92.8Very high90.8Very high1 Ų117.9 Ų17.91%0.0069%0.093CC..Hα-helixtrans-57.3-51.5177.6177.10000111.1V143 Y144 L149 L150 A151 F243 P246 M250 F283V143-V147 HydrophobicContact CG1-CG2 4.39Å; V143-V147 VanDerWaalsContact O-CG2 3.28Å; V143-V147 WeakPolarHBondContact O-CG2 3.23Å; V143-V147 PolarHBondContact O-N 3.32Å; Y144-V147 PolarHBondContact O-N 2.9Å; V147-L149 PolarHBondContact O-N 3.25Å; V147-L150 PolarHBondContact O-N 3.06Å; V147-A151 PolarHBondContact O-N 2.97Å; V147-F243 HydrophobicContact CG2-CD2 4Å; V147-P246 HydrophobicContact CG1-CB 3.21Å; V147-P246 HydrophobicContact CG1-CG 3.6Å; V147-M250 HydrophobicContact CG1-CE 4.48Å; V147-F283 HydrophobicContact CB-CE1 4.49Å; V147-F283 HydrophobicContact CB-CZ 4.22Å; V147-F283 HydrophobicContact CG2-CE1 3.63Å; V147-F283 HydrophobicContact CG2-CE2 4.13Å; V147-F283 HydrophobicContact CG2-CZ 3.18Å
148F93.8Very high90.3Very high30 Ų3019.3 Ų19.313%0.13210%0.097CC..Hα-helixtrans-67.1-37.8-177.3-64.8-26.3000112Y144 S145 G146 L150 A151 C152 V182 M185 L189 P246Y144-F148 WeakPolarHBondContact O-CB 3.37Å; Y144-F148 VanDerWaalsContact O-CD2 3.3Å; Y144-F148 WeakPolarHBondContact O-CD2 3.26Å; Y144-F148 VanDerWaalsContact O-CG 3.23Å; Y144-F148 WeakPolarHBondContact O-CG 3.3Å; Y144-F148 PolarHBondContact O-N 3.39Å; S145-F148 PolarHBondContact O-N 3.25Å; G146-F148 PolarHBondContact O-N 2.84Å; F148-L150 VanDerWaalsContact C-N 3.35Å; F148-L150 PolarHBondContact O-N 3.27Å; F148-A151 WeakPolarHBondContact O-CB 3.27Å; F148-A151 PolarHBondContact O-N 3.49Å; F148-C152 PolarHBondContact O-N 2.82Å; F148-C152 PolarHBondContact O-SG 3.39Å; F148-V182 HydrophobicContact CB-CB 4.47Å; F148-V182 HydrophobicContact CB-CG1 3.66Å; F148-V182 HydrophobicContact CB-CG2 4.06Å; F148-V182 HydrophobicContact CD2-CG1 4.3Å; F148-M185 HydrophobicContact CE2-CB 4.31Å; F148-L189 HydrophobicContact CE2-CD1 3.84Å; F148-L189 HydrophobicContact CZ-CD1 3.59Å; F148-P246 HydrophobicContact CD1-CB 4.34Å; F148-P246 HydrophobicContact CD1-CG 3.63Å; F148-P246 HydrophobicContact CE1-CG 3.44Å; F148-P246 VanDerWaalsContact CE1-CG 3.44Å
149L93.4Very high89.7Confident0 Ų018 Ų180%09%0.091CC..Hα-helixtrans-62.5-41.6174-73.8166.9000111.4Y99 H102 L103 S145 G146 V147 A151 C152 I153 V182Y99-L149 HydrophobicContact CD1-CD2 3.92Å; H102-L149 HydrophobicContact CB-CD1 3.78Å; H102-L149 HydrophobicContact CB-CD2 3.93Å; L103-L149 HydrophobicContact CB-CD1 4.31Å; S145-L149 VanDerWaalsContact O-CB 3.23Å; S145-L149 WeakPolarHBondContact O-CB 3.17Å; S145-L149 WeakPolarHBondContact O-CD1 3.21Å; S145-L149 WeakPolarHBondContact O-CG 3.41Å; S145-L149 PolarHBondContact O-N 3.25Å; G146-L149 PolarHBondContact O-N 3.34Å; V147-L149 PolarHBondContact O-N 3.25Å; L149-A151 VanDerWaalsContact C-N 3.35Å; L149-C152 PolarHBondContact O-N 3.43Å; L149-I153 VanDerWaalsContact O-CG1 3.24Å; L149-I153 WeakPolarHBondContact O-CG1 3.42Å; L149-I153 PolarHBondContact O-N 3.43Å; L149-V182 HydrophobicContact CD2-CG1 4.37Å; L149-V182 HydrophobicContact CG-CG1 4.05Å
150L91.2Very high89Confident2 Ų218.5 Ų18.51%0.0110%0.098CC..Hα-helixtrans-63.7-40.5174.6-69.7173000111.7L103 G146 V147 F148 I153 S154 M250 V279 V280 F283L103-L150 HydrophobicContact CD2-CD2 3.97Å; G146-L150 WeakPolarHBondContact O-CG 3.41Å; G146-L150 PolarHBondContact O-N 3.47Å; V147-L150 PolarHBondContact O-N 3.06Å; F148-L150 VanDerWaalsContact C-N 3.35Å; F148-L150 PolarHBondContact O-N 3.27Å; L150-I153 HydrophobicContact CD2-CD1 4.33Å; L150-I153 PolarHBondContact O-N 3.25Å; L150-S154 PolarHBondContact O-N 2.72Å; L150-S154 PolarHBondContact O-OG 3.33Å; L150-M250 HydrophobicContact CB-SD 3.6Å; L150-M250 VanDerWaalsContact CB-SD 3.6Å; L150-V279 HydrophobicContact CD2-CG1 3.71Å; L150-V280 HydrophobicContact CD2-CG2 4.31Å; L150-F283 HydrophobicContact CD1-CB 3.57Å; L150-F283 HydrophobicContact CD1-CD1 3.93Å; L150-F283 HydrophobicContact CD1-CD2 3.42Å; L150-F283 VanDerWaalsContact CD1-CD2 3.42Å; L150-F283 HydrophobicContact CD1-CE2 4.2Å; L150-F283 HydrophobicContact CD1-CG 3.32Å
151A90.9Very high88.3Confident12 Ų1217.8 Ų17.810%0.09910%0.095CC..Hα-helixtrans-60.7-4617200000111.7V147 F148 L149 I153 S154 V155 P246 M250V147-A151 PolarHBondContact O-N 2.97Å; F148-A151 WeakPolarHBondContact O-CB 3.27Å; F148-A151 PolarHBondContact O-N 3.49Å; L149-A151 VanDerWaalsContact C-N 3.35Å; A151-I153 PolarHBondContact O-N 3.41Å; A151-S154 VanDerWaalsContact O-CB 3.25Å; A151-S154 WeakPolarHBondContact O-CB 3.5Å; A151-S154 PolarHBondContact O-N 3.49Å; A151-S154 VanDerWaalsContact O-N 3.11Å; A151-V155 WeakPolarHBondContact O-CG2 3.48Å; A151-V155 PolarHBondContact O-N 3.34Å; A151-P246 HydrophobicContact CB-CB 4.41Å; A151-M250 HydrophobicContact CB-CG 3.99Å
152C90.3Very high87.4Confident27 Ų2719.4 Ų19.418%0.18210%0.104CC..Hα-helixtrans-61-40.8175.7-67.90000112.6Y99 F148 L149 S154 V155 D156 I178Y99-C152 HydrophobicContact CD1-CB 4.31Å; Y99-C152 HydrophobicContact CE1-CB 3.79Å; F148-C152 PolarHBondContact O-N 2.82Å; F148-C152 PolarHBondContact O-SG 3.39Å; L149-C152 PolarHBondContact O-N 3.43Å; C152-S154 VanDerWaalsContact C-N 3.31Å; C152-S154 PolarHBondContact O-N 3.03Å; C152-V155 PolarHBondContact O-N 2.89Å; C152-D156 WeakPolarHBondContact O-CB 3.37Å; C152-D156 PolarHBondContact O-N 3.03Å; C152-I178 HydrophobicContact CB-CG2 4.38Å
153I88.4Confident86.2Confident4 Ų426.2 Ų26.22%0.02113%0.129CC..Hα-helixtrans-60.1-44.4173.7-69.1162.2000109.9Y99 L100 L149 L150 A151 V155 D156 R157 I276Y99-I153 VanDerWaalsContact CB-CG1 3.47Å; Y99-I153 HydrophobicContact CD2-CG1 4.07Å; Y99-I153 HydrophobicContact CG-CG1 3.89Å; L100-I153 HydrophobicContact CD2-CD1 4.49Å; L149-I153 VanDerWaalsContact O-CG1 3.24Å; L149-I153 WeakPolarHBondContact O-CG1 3.42Å; L149-I153 PolarHBondContact O-N 3.43Å; L150-I153 HydrophobicContact CD2-CD1 4.33Å; L150-I153 PolarHBondContact O-N 3.25Å; A151-I153 PolarHBondContact O-N 3.41Å; I153-V155 VanDerWaalsContact C-N 3.35Å; I153-V155 PolarHBondContact O-N 2.83Å; I153-D156 PolarHBondContact O-N 3.35Å; I153-R157 HydrophobicContact CG2-CG 4.31Å; I153-R157 WeakPolarHBondContact O-CB 3.44Å; I153-R157 VanDerWaalsContact O-CG 3.28Å; I153-R157 WeakPolarHBondContact O-CG 3.47Å; I153-R157 PolarHBondContact O-N 3.46Å; I153-I276 HydrophobicContact CG2-CD1 4.09Å; I153-I276 HydrophobicContact CG2-CG1 4.41Å; I153-I276 HydrophobicContact CG2-CG2 3.7Å
154S85.7Confident85.2Confident0 Ų028.9 Ų28.90%015%0.152CC..Hα-helixtrans-58.2-47.3179.1-46.90000111.6L150 A151 C152 R157 Y158 Y254L150-S154 PolarHBondContact O-N 2.72Å; L150-S154 PolarHBondContact O-OG 3.33Å; A151-S154 VanDerWaalsContact O-CB 3.25Å; A151-S154 WeakPolarHBondContact O-CB 3.5Å; A151-S154 PolarHBondContact O-N 3.49Å; A151-S154 VanDerWaalsContact O-N 3.11Å; C152-S154 VanDerWaalsContact C-N 3.31Å; C152-S154 PolarHBondContact O-N 3.03Å; S154-R157 PolarHBondContact O-N 3.14Å; S154-Y158 PolarHBondContact O-N 2.98Å; S154-Y254 WeakPolarHBondContact OG-CE2 3.22Å; S154-Y254 PolarHBondContact OG-OH 3.38Å; S154-Y254 VanDerWaalsContact OG-OH 3.07Å
155V85.4Confident83.7Confident50 Ų5031.3 Ų31.330%0.30317%0.167SC..Hα-helixtrans-64.9-47.3177.6174.90000110.9A151 C152 I153 R157 Y158 F159 V249A151-V155 WeakPolarHBondContact O-CG2 3.48Å; A151-V155 PolarHBondContact O-N 3.34Å; C152-V155 PolarHBondContact O-N 2.89Å; I153-V155 VanDerWaalsContact C-N 3.35Å; I153-V155 PolarHBondContact O-N 2.83Å; V155-R157 VanDerWaalsContact C-N 3.27Å; V155-R157 PolarHBondContact O-N 3.27Å; V155-Y158 WeakPolarHBondContact O-CB 3.46Å; V155-Y158 PolarHBondContact O-N 3.5Å; V155-F159 HydrophobicContact CG1-CD2 3.72Å; V155-F159 HydrophobicContact CG1-CE2 3.66Å; V155-F159 VanDerWaalsContact O-CD2 3.31Å; V155-F159 WeakPolarHBondContact O-CD2 3.39Å; V155-F159 PolarHBondContact O-N 2.92Å; V155-V249 HydrophobicContact CG2-CG1 4.42Å
156D84Confident81.7Confident14 Ų1442.8 Ų42.88%0.07521%0.21CC..Hα-helixtrans-58-40.1177.7170.289.2000111.7S95 T96 Y99 C152 I153 A160S95-D156 PolarHBondContact OG-OD1 3.49Å; S95-D156 PolarHBondContact OG-OD2 2.9Å; T96-D156 WeakPolarHBondContact CG2-OD2 3.44Å; Y99-D156 HydrophobicContact CE2-CB 4.08Å; C152-D156 WeakPolarHBondContact O-CB 3.37Å; C152-D156 PolarHBondContact O-N 3.03Å; I153-D156 PolarHBondContact O-N 3.35Å; D156-A160 VanDerWaalsContact O-CB 3.29Å; D156-A160 WeakPolarHBondContact O-CB 3.48Å; D156-A160 PolarHBondContact O-N 3.39Å
157R82.1Confident79.7Confident45 Ų4547 Ų4717%0.1724%0.236CC..Hα-helixtrans-68.3-41.5175.5-68.3-55.585.4-168.82.1113T96 I153 S154 V155 F159 A160 I161 I276T96-R157 VanDerWaalsContact CG2-NE 3.28Å; I153-R157 HydrophobicContact CG2-CG 4.31Å; I153-R157 WeakPolarHBondContact O-CB 3.44Å; I153-R157 VanDerWaalsContact O-CG 3.28Å; I153-R157 WeakPolarHBondContact O-CG 3.47Å; I153-R157 PolarHBondContact O-N 3.46Å; S154-R157 PolarHBondContact O-N 3.14Å; V155-R157 VanDerWaalsContact C-N 3.27Å; V155-R157 PolarHBondContact O-N 3.27Å; R157-F159 PolarHBondContact O-N 3Å; R157-A160 PolarHBondContact O-N 2.86Å; R157-I161 WeakPolarHBondContact O-CB 3.09Å; R157-I161 WeakPolarHBondContact O-CG1 3.35Å; R157-I161 PolarHBondContact O-N 3.24Å; R157-I276 HydrophobicContact CG-CD1 3.66Å
158Y81.6Confident78Confident45 Ų4554 Ų5418%0.17627%0.272CS..Hα-helixtrans-55.6-50.9173.5169.7-100.2000111.3S154 V155 A160 I161 V162 W256 T257S154-Y158 PolarHBondContact O-N 2.98Å; V155-Y158 WeakPolarHBondContact O-CB 3.46Å; V155-Y158 PolarHBondContact O-N 3.5Å; Y158-A160 PolarHBondContact O-N 3.31Å; Y158-I161 PolarHBondContact O-N 3.13Å; Y158-V162 HydrophobicContact CD2-CB 3.95Å; Y158-V162 HydrophobicContact CD2-CG1 4.44Å; Y158-V162 HydrophobicContact CD2-CG2 3.55Å; Y158-V162 HydrophobicContact CE2-CB 3.84Å; Y158-V162 HydrophobicContact CE2-CG1 3.85Å; Y158-V162 HydrophobicContact CE2-CG2 3.81Å; Y158-V162 HydrophobicContact CG-CG2 4.4Å; Y158-V162 WeakPolarHBondContact O-CA 3.47Å; Y158-V162 VanDerWaalsContact O-CB 3.26Å; Y158-V162 WeakPolarHBondContact O-CB 3.39Å; Y158-V162 PolarHBondContact O-N 3.18Å; Y158-W256 HydrophobicContact CD2-CB 4.21Å; Y158-W256 HydrophobicContact CE2-CB 4.11Å; Y158-W256 AromaticContact CE2-CD1 3.84Å; Y158-W256 HydrophobicContact CE2-CG 4.01Å; Y158-T257 WeakPolarHBondContact CA-OG1 3.09Å
159F80.4Confident75.7Confident68 Ų6857.8 Ų57.830%0.29830%0.303SS..Hα-helixtrans-65.5-35.4179.1-83.3-81.9000113.7V155 R157 R163 A164 T165V155-F159 HydrophobicContact CG1-CD2 3.72Å; V155-F159 HydrophobicContact CG1-CE2 3.66Å; V155-F159 VanDerWaalsContact O-CD2 3.31Å; V155-F159 WeakPolarHBondContact O-CD2 3.39Å; V155-F159 PolarHBondContact O-N 2.92Å; R157-F159 PolarHBondContact O-N 3Å; F159-R163 HydrophobicContact CD1-CB 4.46Å; F159-A164 PolarHBondContact O-N 3.11Å; F159-T165 PolarHBondContact O-N 3.35Å; F159-T165 PolarHBondContact O-OG1 2.89Å
160A77.9Confident73.9Confident29 Ų2962.1 Ų62.124%0.2433%0.333CS..Hα-helixtrans-73.3-34.7179.300000113.2D156 R157 Y158D156-A160 VanDerWaalsContact O-CB 3.29Å; D156-A160 WeakPolarHBondContact O-CB 3.48Å; D156-A160 PolarHBondContact O-N 3.39Å; R157-A160 PolarHBondContact O-N 2.86Å; Y158-A160 PolarHBondContact O-N 3.31Å
161I75.4Confident73Confident19 Ų1964.7 Ų64.710%0.09734%0.342CS..Hα-helixtrans-95.8-50.9-174.2-65.1170.2000111.4R157 Y158 T257 M273R157-I161 WeakPolarHBondContact O-CB 3.09Å; R157-I161 WeakPolarHBondContact O-CG1 3.35Å; R157-I161 PolarHBondContact O-N 3.24Å; Y158-I161 PolarHBondContact O-N 3.13Å; I161-T257 HydrophobicContact CB-CG2 4.32Å; I161-T257 HydrophobicContact CD1-CG2 3.64Å; I161-T257 HydrophobicContact CG2-CG2 4.44Å; I161-M273 HydrophobicContact CD1-SD 4.22Å
162V73.9Confident72.4Confident41 Ų4167.1 Ų67.125%0.24835%0.352CS..THydrogen-bonded Turntrans-81-48.3-171.6-174.40000111.2Y158 T260Y158-V162 HydrophobicContact CD2-CB 3.95Å; Y158-V162 HydrophobicContact CD2-CG1 4.44Å; Y158-V162 HydrophobicContact CD2-CG2 3.55Å; Y158-V162 HydrophobicContact CE2-CB 3.84Å; Y158-V162 HydrophobicContact CE2-CG1 3.85Å; Y158-V162 HydrophobicContact CE2-CG2 3.81Å; Y158-V162 HydrophobicContact CG-CG2 4.4Å; Y158-V162 WeakPolarHBondContact O-CA 3.47Å; Y158-V162 VanDerWaalsContact O-CB 3.26Å; Y158-V162 WeakPolarHBondContact O-CB 3.39Å; Y158-V162 PolarHBondContact O-N 3.18Å; V162-T260 HydrophobicContact CB-CG2 4.44Å; V162-T260 HydrophobicContact CG1-CG2 4.41Å; V162-T260 HydrophobicContact CG2-CG2 4.09Å
163R70.9Confident72.1Confident149 Ų14971.9 Ų71.956%0.56238%0.375SS*.SBendtrans-88.6-6.2179-75.6-178.5171.8-178.8-4.5113.9F159 T165F159-R163 HydrophobicContact CD1-CB 4.46Å; R163-T165 HydrophobicContact CB-CG2 4.03Å; R163-T165 PolarHBondContact O-N 2.88Å
164A69.5Low72Confident65 Ų6576.2 Ų76.254%0.53740%0.397SS..  trans46.729.6-178.700000114.5F159 R166F159-A164 PolarHBondContact O-N 3.11Å; A164-R166 PolarHBondContact O-N 3.08Å; A164-R166 VanDerWaalsContact O-N 3.07Å
165T61.3Low72.1Confident54 Ų5476.4 Ų76.433%0.33140%0.398SS..  trans-71.5106.1-172.542.40000110.8F159 R163 R171F159-T165 PolarHBondContact O-N 3.35Å; F159-T165 PolarHBondContact O-OG1 2.89Å; R163-T165 HydrophobicContact CB-CG2 4.03Å; R163-T165 PolarHBondContact O-N 2.88Å; T165-R171 PolarHBondContact O-NH2 3.42Å; T165-R171 PolarHBondContact OG1-NH2 2.91Å
166R53.7Low72.3Confident241 Ų24180.1 Ų80.191%0.90941%0.41SS*.  trans-93.392.2175.1-68.8-174.6-174.5-177.93.7110.6A164A164-R166 PolarHBondContact O-N 3.08Å; A164-R166 VanDerWaalsContact O-N 3.07Å
167V51.1Low72.6Confident91 Ų9183 Ų8355%0.55243%0.429SS*.  trans-137.297167.3-173.40000108R171V167-R171 WeakPolarHBondContact O-CD 3.24Å; V167-R171 VanDerWaalsContact O-CG 3.3Å; V167-R171 WeakPolarHBondContact O-CG 3.4Å
168L56.4Low73.1Confident148 Ų14883.3 Ų83.378%0.77543%0.433SS*.  trans-101.1-18.6-154.9-153.467.8000115.4
169S46.5Very low73.7Confident110 Ų11081.2 Ų81.277%0.76943%0.425SS*.SBendtrans-93.4-44.1-177.5-168.90000113.6R171S169-R171 VanDerWaalsContact C-N 3.26Å; S169-R171 PolarHBondContact O-N 3.35Å
170S56.1Low74.4Confident91 Ų9180.8 Ų80.864%0.63643%0.434SS*.THydrogen-bonded Turntrans-66.9-20.7178.8176.70000114H172 L174S170-H172 PolarHBondContact O-N 3.13Å; S170-L174 PolarHBondContact O-N 3.07Å
171R71.6Confident75.2Confident55 Ų5583.3 Ų83.321%0.20845%0.446CS..Hα-helixtrans-70.3-25.8-178-79.5-170.7-178.7-167.16.3115T165 V167 S169 L174 V175T165-R171 PolarHBondContact O-NH2 3.42Å; T165-R171 PolarHBondContact OG1-NH2 2.91Å; V167-R171 WeakPolarHBondContact O-CD 3.24Å; V167-R171 VanDerWaalsContact O-CG 3.3Å; V167-R171 WeakPolarHBondContact O-CG 3.4Å; S169-R171 VanDerWaalsContact C-N 3.26Å; S169-R171 PolarHBondContact O-N 3.35Å; R171-L174 PolarHBondContact O-N 3.43Å; R171-V175 WeakPolarHBondContact O-CB 3.43Å; R171-V175 WeakPolarHBondContact O-CG2 3.47Å; R171-V175 PolarHBondContact O-N 2.87Å
172H78.1Confident76.1Confident64 Ų6482.9 Ų82.930%0.29645%0.445SS..Hα-helixtrans-69.5-39.8-178.9-78-95.8000112.4R93 I98 S170 K176R93-H172 PolarHBondContact O-CE1 3.4Å; R93-H172 VanDerWaalsContact O-CE1 3.24Å; I98-H172 WeakPolarHBondContact CD1-ND1 3.28Å; S170-H172 PolarHBondContact O-N 3.13Å; H172-K176 VanDerWaalsContact O-CG 3.3Å; H172-K176 WeakPolarHBondContact O-CG 3.42Å; H172-K176 PolarHBondContact O-N 3.16Å; H172-K176 VanDerWaalsContact O-N 3.13Å
173L83.9Confident77.2Confident127 Ų12784.5 Ų84.567%0.66545%0.446SS*.Hα-helixtrans-66.1-46.6173.2-178.662.6000110.2V175 K176 V177L173-V175 PolarHBondContact O-N 3.3Å; L173-K176 WeakPolarHBondContact O-CB 3.06Å; L173-K176 PolarHBondContact O-N 3.18Å; L173-V177 WeakPolarHBondContact O-CG2 3.47Å; L173-V177 PolarHBondContact O-N 3.16Å
174L86.4Confident78.4Confident94 Ų9483.1 Ų83.149%0.49245%0.449SS..Hα-helixtrans-57.5-46.417718062.6000112.3S170 R171 K176 V177 I178S170-L174 PolarHBondContact O-N 3.07Å; R171-L174 PolarHBondContact O-N 3.43Å; L174-K176 VanDerWaalsContact C-N 3.33Å; L174-K176 PolarHBondContact O-N 3.23Å; L174-V177 PolarHBondContact O-N 3.47Å; L174-I178 HydrophobicContact CD1-CD1 4.13Å; L174-I178 HydrophobicContact CD1-CG1 4.27Å; L174-I178 HydrophobicContact CD2-CD1 4.45Å; L174-I178 HydrophobicContact CG-CD1 3.83Å; L174-I178 HydrophobicContact CG-CG1 4.39Å; L174-I178 VanDerWaalsContact O-CG1 3.27Å; L174-I178 WeakPolarHBondContact O-CG1 3.46Å; L174-I178 PolarHBondContact O-N 3.4Å
175V87.6Confident79.5Confident4 Ų483.9 Ų83.92%0.02444%0.443CS..Hα-helixtrans-61.7-41.4178.1168.90000111I98 Y99 R171 L173 I178 C179I98-V175 HydrophobicContact CB-CG1 3.93Å; I98-V175 HydrophobicContact CD1-CG1 4.34Å; I98-V175 HydrophobicContact CG2-CG1 3.7Å; Y99-V175 HydrophobicContact CD1-CG1 4.27Å; Y99-V175 HydrophobicContact CD2-CG1 4.36Å; Y99-V175 HydrophobicContact CE1-CG1 3.88Å; Y99-V175 HydrophobicContact CE2-CG1 3.99Å; Y99-V175 HydrophobicContact CE2-CG2 4.05Å; Y99-V175 HydrophobicContact CG-CG1 4.49Å; R171-V175 WeakPolarHBondContact O-CB 3.43Å; R171-V175 WeakPolarHBondContact O-CG2 3.47Å; R171-V175 PolarHBondContact O-N 2.87Å; L173-V175 PolarHBondContact O-N 3.3Å; V175-I178 PolarHBondContact O-N 3.47Å; V175-C179 WeakPolarHBondContact O-CB 3.18Å; V175-C179 PolarHBondContact O-N 3.39Å; V175-C179 PolarHBondContact O-SG 3.03Å
176K89Confident81.1Confident128 Ų12881.3 Ų81.356%0.55743%0.427SS*.Hα-helixtrans-62.6-42.1175-73.4175.8178.8-173.10112H172 L173 L174 C179 A180H172-K176 VanDerWaalsContact O-CG 3.3Å; H172-K176 WeakPolarHBondContact O-CG 3.42Å; H172-K176 PolarHBondContact O-N 3.16Å; H172-K176 VanDerWaalsContact O-N 3.13Å; L173-K176 WeakPolarHBondContact O-CB 3.06Å; L173-K176 PolarHBondContact O-N 3.18Å; L174-K176 VanDerWaalsContact C-N 3.33Å; L174-K176 PolarHBondContact O-N 3.23Å; K176-C179 PolarHBondContact O-N 3.4Å; K176-A180 WeakPolarHBondContact O-CB 3.39Å; K176-A180 PolarHBondContact O-N 3.17Å
177V91.5Very high82.9Confident76 Ų7671.1 Ų71.146%0.46140%0.397SS..Hα-helixtrans-63.5-45.9175.4173.30000110.5L173 L174 C179 A180 V181L173-V177 WeakPolarHBondContact O-CG2 3.47Å; L173-V177 PolarHBondContact O-N 3.16Å; L174-V177 PolarHBondContact O-N 3.47Å; V177-C179 VanDerWaalsContact C-N 3.34Å; V177-C179 PolarHBondContact O-N 3.2Å; V177-A180 WeakPolarHBondContact O-CB 3.33Å; V177-A180 PolarHBondContact O-N 3.28Å; V177-A180 VanDerWaalsContact O-N 3.15Å; V177-V181 HydrophobicContact CG1-CG2 4.47Å; V177-V181 WeakPolarHBondContact O-CG2 3.23Å; V177-V181 PolarHBondContact O-N 3.43Å
178I92.4Very high84.8Confident51 Ų5171.6 Ų71.626%0.26240%0.396SS..Hα-helixtrans-57.9-47.8175.9-69.9167.3000110.2Y99 C152 L174 V175 A180 V181 V182Y99-I178 HydrophobicContact CE1-CG2 4.12Å; C152-I178 HydrophobicContact CB-CG2 4.38Å; L174-I178 HydrophobicContact CD1-CD1 4.13Å; L174-I178 HydrophobicContact CD1-CG1 4.27Å; L174-I178 HydrophobicContact CD2-CD1 4.45Å; L174-I178 HydrophobicContact CG-CD1 3.83Å; L174-I178 HydrophobicContact CG-CG1 4.39Å; L174-I178 VanDerWaalsContact O-CG1 3.27Å; L174-I178 WeakPolarHBondContact O-CG1 3.46Å; L174-I178 PolarHBondContact O-N 3.4Å; V175-I178 PolarHBondContact O-N 3.47Å; I178-A180 VanDerWaalsContact C-N 3.34Å; I178-A180 PolarHBondContact O-N 3.45Å; I178-V181 PolarHBondContact O-N 3.05Å; I178-V182 HydrophobicContact CG2-CG2 4.42Å; I178-V182 WeakPolarHBondContact O-CG2 3.47Å; I178-V182 PolarHBondContact O-N 3.2Å
179C94.1Very high86.4Confident1 Ų166.1 Ų66.11%0.00737%0.367CS..Hα-helixtrans-58.5-45.8176-690000111.3H102 V175 K176 V177 V181 V182 W183H102-C179 PolarHBondContact CD2-SG 3.42Å; V175-C179 WeakPolarHBondContact O-CB 3.18Å; V175-C179 PolarHBondContact O-N 3.39Å; V175-C179 PolarHBondContact O-SG 3.03Å; K176-C179 PolarHBondContact O-N 3.4Å; V177-C179 VanDerWaalsContact C-N 3.34Å; V177-C179 PolarHBondContact O-N 3.2Å; C179-V181 VanDerWaalsContact C-N 3.33Å; C179-V181 PolarHBondContact O-N 3.02Å; C179-V182 WeakPolarHBondContact O-CB 3.47Å; C179-V182 PolarHBondContact O-N 3.18Å; C179-V182 VanDerWaalsContact O-N 3.15Å; C179-W183 PolarHBondContact O-N 2.79Å
180A94.6Very high88.5Confident59 Ų5961 Ų6149%0.48833%0.332SS..Hα-helixtrans-60-42.4177.700000112.3K176 V177 I178 W183 L184K176-A180 WeakPolarHBondContact O-CB 3.39Å; K176-A180 PolarHBondContact O-N 3.17Å; V177-A180 WeakPolarHBondContact O-CB 3.33Å; V177-A180 PolarHBondContact O-N 3.28Å; V177-A180 VanDerWaalsContact O-N 3.15Å; I178-A180 VanDerWaalsContact C-N 3.34Å; I178-A180 PolarHBondContact O-N 3.45Å; A180-W183 PolarHBondContact O-N 2.95Å; A180-L184 WeakPolarHBondContact O-CB 3.23Å; A180-L184 PolarHBondContact O-N 3.45Å
181V95.2Very high89.9Confident81 Ų8161 Ų6149%0.49132%0.324SS..Hα-helixtrans-62.2-43.1173.8171.90000111V177 I178 C179 W183 L184 M185V177-V181 HydrophobicContact CG1-CG2 4.47Å; V177-V181 WeakPolarHBondContact O-CG2 3.23Å; V177-V181 PolarHBondContact O-N 3.43Å; I178-V181 PolarHBondContact O-N 3.05Å; C179-V181 VanDerWaalsContact C-N 3.33Å; C179-V181 PolarHBondContact O-N 3.02Å; V181-W183 PolarHBondContact O-N 2.94Å; V181-L184 PolarHBondContact O-N 3.37Å; V181-M185 HydrophobicContact CG1-CG 4.13Å; V181-M185 WeakPolarHBondContact O-CB 3.31Å; V181-M185 VanDerWaalsContact O-CG 3.3Å; V181-M185 WeakPolarHBondContact O-CG 3.03Å; V181-M185 PolarHBondContact O-N 3.42Å
182V94.9Very high90.5Very high11 Ų1159.9 Ų59.97%0.06732%0.324CS..Hα-helixtrans-59.2-46.3176.5166.80000111.2F148 L149 I178 C179 L184 M185 S186F148-V182 HydrophobicContact CB-CB 4.47Å; F148-V182 HydrophobicContact CB-CG1 3.66Å; F148-V182 HydrophobicContact CB-CG2 4.06Å; F148-V182 HydrophobicContact CD2-CG1 4.3Å; L149-V182 HydrophobicContact CD2-CG1 4.37Å; L149-V182 HydrophobicContact CG-CG1 4.05Å; I178-V182 HydrophobicContact CG2-CG2 4.42Å; I178-V182 WeakPolarHBondContact O-CG2 3.47Å; I178-V182 PolarHBondContact O-N 3.2Å; C179-V182 WeakPolarHBondContact O-CB 3.47Å; C179-V182 PolarHBondContact O-N 3.18Å; C179-V182 VanDerWaalsContact O-N 3.15Å; V182-L184 PolarHBondContact O-N 2.86Å; V182-M185 PolarHBondContact O-N 3.35Å; V182-S186 VanDerWaalsContact O-CB 3.3Å; V182-S186 WeakPolarHBondContact O-CB 3.32Å; V182-S186 PolarHBondContact O-N 3.17Å; V182-S186 PolarHBondContact O-OG 3.13Å
183W96.3Very high90.7Very high74 Ų7457 Ų5728%0.2831%0.311SS..Hα-helixtrans-60.9-44.7176.5-79.2102.8000112.1H102 L105 A106 L109 C179 A180 V181 S186 G187H102-W183 AromaticContact CG-NE1 3.99Å; H102-W183 AromaticContact ND1-CD1 3.95Å; H102-W183 AromaticContact ND1-NE1 3.16Å; H102-W183 PolarHBondContact ND1-NE1 3.49Å; H102-W183 VanDerWaalsContact ND1-NE1 3.16Å; L105-W183 HydrophobicContact CB-CZ2 4.27Å; A106-W183 HydrophobicContact CB-CH2 4.05Å; A106-W183 HydrophobicContact CB-CZ2 4.3Å; L109-W183 HydrophobicContact CD2-CH2 4.4Å; L109-W183 HydrophobicContact CD2-CZ3 3.97Å; C179-W183 PolarHBondContact O-N 2.79Å; A180-W183 PolarHBondContact O-N 2.95Å; V181-W183 PolarHBondContact O-N 2.94Å; W183-S186 PolarHBondContact O-N 2.84Å; W183-G187 PolarHBondContact O-N 3.19Å
184L95.5Very high90.6Very high121 Ų12152.1 Ų52.163%0.63429%0.289SS*.Hα-helixtrans-63.3-47.3178.5-177.6136.8000112A180 V181 V182 S186 G187 L188A180-L184 WeakPolarHBondContact O-CB 3.23Å; A180-L184 PolarHBondContact O-N 3.45Å; V181-L184 PolarHBondContact O-N 3.37Å; V182-L184 PolarHBondContact O-N 2.86Å; L184-S186 VanDerWaalsContact C-N 3.33Å; L184-S186 PolarHBondContact O-N 3.19Å; L184-G187 PolarHBondContact O-N 3.11Å; L184-L188 WeakPolarHBondContact O-CB 3.44Å; L184-L188 PolarHBondContact O-N 2.92Å
185M93.3Very high90.5Very high81 Ų8153.6 Ų53.640%0.39930%0.296SS..Hα-helixtrans-63.2-39.6177.7-71.4-60-62.800112F148 V181 V182 L188 L189F148-M185 HydrophobicContact CE2-CB 4.31Å; V181-M185 HydrophobicContact CG1-CG 4.13Å; V181-M185 WeakPolarHBondContact O-CB 3.31Å; V181-M185 VanDerWaalsContact O-CG 3.3Å; V181-M185 WeakPolarHBondContact O-CG 3.03Å; V181-M185 PolarHBondContact O-N 3.42Å; V182-M185 PolarHBondContact O-N 3.35Å; M185-L188 PolarHBondContact O-N 3.22Å; M185-L189 WeakPolarHBondContact O-CB 3.31Å; M185-L189 WeakPolarHBondContact O-CG 3.33Å; M185-L189 PolarHBondContact O-N 3.42Å
186S94.3Very high90.2Very high0 Ų055.2 Ų55.20%030%0.303CS..Hα-helixtrans-66.2-43.6178.6-550000111.7A141 S145 V182 W183 L184 L189 S190A141-S186 WeakPolarHBondContact O-CB 3.35Å; S145-S186 WeakPolarHBondContact CA-OG 3.25Å; S145-S186 WeakPolarHBondContact CB-OG 3.49Å; S145-S186 PolarHBondContact N-OG 2.82Å; V182-S186 VanDerWaalsContact O-CB 3.3Å; V182-S186 WeakPolarHBondContact O-CB 3.32Å; V182-S186 PolarHBondContact O-N 3.17Å; V182-S186 PolarHBondContact O-OG 3.13Å; W183-S186 PolarHBondContact O-N 2.84Å; L184-S186 VanDerWaalsContact C-N 3.33Å; L184-S186 PolarHBondContact O-N 3.19Å; S186-L189 PolarHBondContact O-N 3.34Å; S186-S190 PolarHBondContact O-N 3.25Å; S186-S190 VanDerWaalsContact O-N 3.1Å
187G92.4Very high89.9Confident27 Ų2751.3 Ų51.328%0.27829%0.285SS..Hα-helixtrans-65.1-37.7174.300000112.6W183 L184 S190 L191W183-G187 PolarHBondContact O-N 3.19Å; L184-G187 PolarHBondContact O-N 3.11Å; G187-S190 PolarHBondContact O-N 3.14Å; G187-S190 PolarHBondContact O-OG 2.92Å; G187-L191 WeakPolarHBondContact O-CG 3.27Å; G187-L191 PolarHBondContact O-N 3.49Å
188L91.4Very high89.6Confident100 Ų10050.4 Ų50.452%0.52428%0.275SS..Hα-helixtrans-64.5-43.8176.4-174.865.8000111.7L184 M185 S190 L191L184-L188 WeakPolarHBondContact O-CB 3.44Å; L184-L188 PolarHBondContact O-N 2.92Å; M185-L188 PolarHBondContact O-N 3.22Å; L188-S190 VanDerWaalsContact C-N 3.28Å; L188-S190 PolarHBondContact O-N 3.33Å; L188-L191 HydrophobicContact CD1-CD1 3.89Å; L188-L191 PolarHBondContact O-N 3.12Å
189L89.3Confident89.2Confident34 Ų3450.3 Ų50.318%0.17827%0.274CS..Hα-helixtrans-69.7-22.2178.2-71.8173.4000113.4Y144 F148 M185 S186 P192Y144-L189 HydrophobicContact CD2-CB 3.78Å; Y144-L189 HydrophobicContact CE2-CB 3.91Å; Y144-L189 HydrophobicContact CG-CB 4.49Å; F148-L189 HydrophobicContact CE2-CD1 3.84Å; F148-L189 HydrophobicContact CZ-CD1 3.59Å; M185-L189 WeakPolarHBondContact O-CB 3.31Å; M185-L189 WeakPolarHBondContact O-CG 3.33Å; M185-L189 PolarHBondContact O-N 3.42Å; S186-L189 PolarHBondContact O-N 3.34Å; L189-P192 WeakPolarHBondContact O-CD 3.25Å
190S90.2Very high88.7Confident3 Ų352.4 Ų52.42%0.02129%0.285CS..Hα-helixtrans-84.3-14.317677.50000113.7S137 S186 G187 L188 V193 A194S137-S190 WeakPolarHBondContact O-CB 3.35Å; S137-S190 PolarHBondContact OG-OG 3.02Å; S186-S190 PolarHBondContact O-N 3.25Å; S186-S190 VanDerWaalsContact O-N 3.1Å; G187-S190 PolarHBondContact O-N 3.14Å; G187-S190 PolarHBondContact O-OG 2.92Å; L188-S190 VanDerWaalsContact C-N 3.28Å; L188-S190 PolarHBondContact O-N 3.33Å; S190-V193 WeakPolarHBondContact O-CB 3.42Å; S190-V193 PolarHBondContact O-N 3.34Å; S190-V193 VanDerWaalsContact O-N 3.09Å; S190-A194 PolarHBondContact O-N 3.37Å
191L86.9Confident87.9Confident89 Ų8954.7 Ų54.747%0.46628%0.284SS..Hα-helixtrans-56-43.9-179.9-65.8-177.1000114.4G187 L188 V193 A194 I195G187-L191 WeakPolarHBondContact O-CG 3.27Å; G187-L191 PolarHBondContact O-N 3.49Å; L188-L191 HydrophobicContact CD1-CD1 3.89Å; L188-L191 PolarHBondContact O-N 3.12Å; L191-V193 PolarHBondContact O-N 2.9Å; L191-A194 WeakPolarHBondContact O-CB 3.43Å; L191-A194 PolarHBondContact O-N 3.37Å; L191-I195 WeakPolarHBondContact O-CG1 3.47Å; L191-I195 PolarHBondContact O-N 3.48Å; L191-I195 VanDerWaalsContact O-N 3.08Å
192P83.8Confident86.5Confident33 Ų3353.8 Ų53.821%0.21428%0.28CS..Hα-helixtrans-59.7-35178.2-2435.5000112.4L189 I195 Q196 L234L189-P192 WeakPolarHBondContact O-CD 3.25Å; P192-I195 PolarHBondContact O-N 3.16Å; P192-Q196 WeakPolarHBondContact O-CB 3.35Å; P192-Q196 VanDerWaalsContact O-CG 3.23Å; P192-Q196 WeakPolarHBondContact O-CG 3.49Å; P192-Q196 PolarHBondContact O-N 3.11Å; P192-Q196 PolarHBondContact O-OE1 3.31Å; P192-L234 HydrophobicContact CB-CD2 4.06Å; P192-L234 HydrophobicContact CG-CD2 4.48Å
193V81.2Confident84.6Confident4 Ų462.6 Ų62.62%0.02432%0.322CS..Hα-helixtrans-64.8-43.4175.2-178.90000110.3E140 S190 L191 I195 Q196 R197E140-V193 HydrophobicContact CB-CG2 4.48Å; E140-V193 HydrophobicContact CG-CB 4.41Å; E140-V193 HydrophobicContact CG-CG1 4.1Å; E140-V193 HydrophobicContact CG-CG2 4Å; S190-V193 WeakPolarHBondContact O-CB 3.42Å; S190-V193 PolarHBondContact O-N 3.34Å; S190-V193 VanDerWaalsContact O-N 3.09Å; L191-V193 PolarHBondContact O-N 2.9Å; V193-I195 PolarHBondContact O-N 3.46Å; V193-Q196 PolarHBondContact O-N 3.35Å; V193-R197 HydrophobicContact CG1-CG 3.72Å; V193-R197 WeakPolarHBondContact O-CB 3.31Å; V193-R197 WeakPolarHBondContact O-CG 3.3Å; V193-R197 PolarHBondContact O-N 3.22Å
194A83.3Confident82.3Confident24 Ų2462.7 Ų62.720%0.19835%0.346CS..Hα-helixtrans-61.8-31.3177.900000113.1K133 S190 L191K133-A194 VanDerWaalsContact CD-O 3.29Å; K133-A194 WeakPolarHBondContact CD-O 3.27Å; K133-A194 WeakPolarHBondContact CG-O 3.48Å; S190-A194 PolarHBondContact O-N 3.37Å; L191-A194 WeakPolarHBondContact O-CB 3.43Å; L191-A194 PolarHBondContact O-N 3.37Å
195I82.8Confident80Confident124 Ų12459.7 Ų59.764%0.63634%0.339SS*.Hα-helixtrans-80.7-39.5179.6-63.1166.3000110.8L191 P192 V193L191-I195 WeakPolarHBondContact O-CG1 3.47Å; L191-I195 PolarHBondContact O-N 3.48Å; L191-I195 VanDerWaalsContact O-N 3.08Å; P192-I195 PolarHBondContact O-N 3.16Å; V193-I195 PolarHBondContact O-N 3.46Å
196Q81.1Confident77.5Confident38 Ų3863.9 Ų63.918%0.17836%0.363CS..Hα-helixtrans-88.3-24.6-170.6-68.7174.9-32.300114.7P192 V193 E220 N221P192-Q196 WeakPolarHBondContact O-CB 3.35Å; P192-Q196 VanDerWaalsContact O-CG 3.23Å; P192-Q196 WeakPolarHBondContact O-CG 3.49Å; P192-Q196 PolarHBondContact O-N 3.11Å; P192-Q196 PolarHBondContact O-OE1 3.31Å; V193-Q196 PolarHBondContact O-N 3.35Å; Q196-E220 WeakPolarHBondContact O-CA 3.49Å; Q196-N221 PolarHBondContact O-N 3.34Å
197R83.6Confident75.1Confident47 Ų4767.2 Ų67.218%0.17739%0.387CS..EExtended strand (participates in β ladder)trans-78.7125.7-179.9-76.9-83179.4166.5-4.6110.6K133 V193 C218 E220K133-R197 WeakPolarHBondContact CE-O 3.39Å; K133-R197 WeakPolarHBondContact CG-O 3.37Å; V193-R197 HydrophobicContact CG1-CG 3.72Å; V193-R197 WeakPolarHBondContact O-CB 3.31Å; V193-R197 WeakPolarHBondContact O-CG 3.3Å; V193-R197 PolarHBondContact O-N 3.22Å; R197-C218 PolarHBondContact NH1-O 3.39Å; R197-E220 HydrophobicContact CG-CG 4.24Å
198E85.6Confident72.7Confident56 Ų5670.1 Ų70.126%0.26242%0.417SS..EExtended strand (participates in β ladder)trans-139.7162176.4-65-169.5149.600110.7T129 K133 I200 Y219 N221T129-E198 HydrophobicContact CG2-CB 4.28Å; T129-E198 HydrophobicContact CG2-CG 4.16Å; K133-E198 VanDerWaalsContact CE-CG 3.49Å; K133-E198 WeakPolarHBondContact CE-OE1 3.23Å; K133-E198 IonicContact NZ-OE1 2.74Å; K133-E198 PolarHBondContact NZ-OE1 2.96Å; E198-I200 PolarHBondContact O-N 2.83Å; E198-Y219 PolarHBondContact N-O 3.39Å; E198-Y219 PolarHBondContact O-N 3.46Å; E198-N221 PolarHBondContact OE2-ND2 3.1Å
199E84.6Confident70.3Confident49 Ų4972.9 Ų72.923%0.22943%0.425CS..EExtended strand (participates in β ladder)trans-73.9123.7168.9178.6178.4-146.300108.5G128 T129 F201 A216G128-E199 WeakPolarHBondContact CA-OE2 3.44Å; T129-E199 PolarHBondContact N-OE2 3.15Å; T129-E199 WeakPolarHBondContact OG1-CB 3.34Å; E199-F201 HydrophobicContact CG-CE2 4.29Å; E199-F201 HydrophobicContact CG-CZ 4.5Å; E199-A216 HydrophobicContact CG-CB 3.89Å
200I82.3Confident68.2Low46 Ų4677.1 Ų77.124%0.23645%0.454CS..EExtended strand (participates in β ladder)trans-123.3134.9-178.6-60.4172000108.5E198 P202 I217 N221E198-I200 PolarHBondContact O-N 2.83Å; I200-P202 WeakPolarHBondContact O-CD 3.42Å; I200-I217 HydrophobicContact CB-CG1 4.44Å; I200-I217 PolarHBondContact N-O 3.42Å; I200-I217 PolarHBondContact O-N 3.26Å; I200-N221 HydrophobicContact CD1-CB 4.38Å
201F78.8Confident65.9Low106 Ų10684.2 Ų84.247%0.46549%0.492SS..  trans-96108.8168.9-64.4-87.2000107.2E199 M203 Q214 A216E199-F201 HydrophobicContact CG-CE2 4.29Å; E199-F201 HydrophobicContact CG-CZ 4.5Å; F201-M203 PolarHBondContact O-N 3.48Å; F201-M203 VanDerWaalsContact O-N 3.1Å; F201-Q214 HydrophobicContact CD1-CG 4.34Å; F201-A216 HydrophobicContact CD1-CB 4.03Å; F201-A216 HydrophobicContact CE1-CB 3.71Å; F201-A216 HydrophobicContact CZ-CB 4.08Å
202P66.1Low64Low63 Ų6382.4 Ų82.441%0.40950%0.495SS..  trans-59.9118.8178.921-28.7000109.2I200 G204 Q214I200-P202 WeakPolarHBondContact O-CD 3.42Å; P202-G204 PolarHBondContact O-N 3.25Å; P202-Q214 PolarHBondContact O-NE2 3.45Å
203M53.5Low62.6Low195 Ų19587.7 Ų87.796%0.96152%0.521SS*.THydrogen-bonded Turntrans-71.9120.6172.9-68.9-164.4-162.800108F201F201-M203 PolarHBondContact O-N 3.48Å; F201-M203 VanDerWaalsContact O-N 3.1Å
204G49.6Very low61.8Low76 Ų7691.7 Ų91.778%0.78454%0.539SS*.THydrogen-bonded Turntrans152.9-10.1-175.900000114.9P202 D206P202-G204 PolarHBondContact O-N 3.25Å; G204-D206 VanDerWaalsContact C-N 3.25Å; G204-D206 PolarHBondContact O-N 3.26Å
205A45.3Very low61.3Low59 Ų5996 Ų9649%0.48855%0.553SS.*  trans-90.451.9168.900000111.6S207A205-S207 PolarHBondContact O-N 2.83Å
206D42.1Very low61.3Low168 Ų16890.4 Ų90.490%0.89853%0.525SS*.  trans-75.746.4153.3-84.4-16.5000108.7G204 G208G204-D206 VanDerWaalsContact C-N 3.25Å; G204-D206 PolarHBondContact O-N 3.26Å; D206-G208 PolarHBondContact O-N 3.05Å
207S43Very low61.4Low71 Ų7191.7 Ų91.750%0.49753%0.533SS..  trans-71.5112.2159.154.10000105A205 F209A205-S207 PolarHBondContact O-N 2.83Å; S207-F209 PolarHBondContact O-N 2.88Å
208G42.6Very low61.5Low88 Ų8889.5 Ų89.591%0.90752%0.524SS*.  trans-63.345.317300000113.7D206D206-G208 PolarHBondContact O-N 3.05Å
209F42Very low61.3Low158 Ų15889.8 Ų89.869%0.69352%0.524SS*.  trans-111.5124.8178.4-135.6-91000108.3S207 D211S207-F209 PolarHBondContact O-N 2.88Å; F209-D211 PolarHBondContact O-N 3.17Å
210P43.2Very low60.9Low122 Ų12288.1 Ų88.179%0.79252%0.516SS*.THydrogen-bonded Turntrans-68.4-0.4-170.2-16.329.5000116
211D43Very low60.3Low152 Ų15288.1 Ų88.181%0.81352%0.517SS*.THydrogen-bonded Turntrans-139.523.9-171.3-84.3-36.8000113.7F209 L213F209-D211 PolarHBondContact O-N 3.17Å; D211-L213 PolarHBondContact O-N 3.4Å; D211-L213 VanDerWaalsContact O-N 3.09Å
212G46.8Very low59.4Low51 Ų5186.1 Ų86.153%0.52651%0.51SS..  trans-77.490.3174.400000111.7Q214G212-Q214 PolarHBondContact O-N 3.27Å
213L53.7Low58.8Low145 Ų14589.1 Ų89.176%0.75953%0.528SS*.  trans-57.6101.5174.3-171.276.1000110D211 K215D211-L213 PolarHBondContact O-N 3.4Å; D211-L213 VanDerWaalsContact O-N 3.09Å; L213-K215 PolarHBondContact O-N 3.36Å
214Q64.4Low58.7Low88 Ų8881.1 Ų81.141%0.41150%0.495SS..  trans-61.2112176.7-167.3176.19.600108.9F201 P202 G212 A216F201-Q214 HydrophobicContact CD1-CG 4.34Å; P202-Q214 PolarHBondContact O-NE2 3.45Å; G212-Q214 PolarHBondContact O-N 3.27Å; Q214-A216 PolarHBondContact O-N 3.04Å
215K72.9Confident58.7Low114 Ų11487.7 Ų87.750%0.49651%0.505SS..  trans-75.8114.5178.9-69.1-172.7-176.4-177.10109.3H122 L213H122-K215 PolarHBondContact O-NZ 2.85Å; L213-K215 PolarHBondContact O-N 3.36Å
216A82.7Confident58.7Low6 Ų688.6 Ų88.65%0.0551%0.508CS..  trans-68.1153.4168.900000110.4W125 E199 F201 Q214W125-A216 HydrophobicContact CB-CB 4.26Å; W125-A216 WeakPolarHBondContact CB-O 3.48Å; W125-A216 PolarHBondContact N-O 2.72Å; E199-A216 HydrophobicContact CG-CB 3.89Å; F201-A216 HydrophobicContact CD1-CB 4.03Å; F201-A216 HydrophobicContact CE1-CB 3.71Å; F201-A216 HydrophobicContact CZ-CB 4.08Å; Q214-A216 PolarHBondContact O-N 3.04Å
217I83.9Confident59.3Low65 Ų6584.3 Ų84.333%0.33349%0.492SS..EExtended strand (participates in β ladder)trans-128.8148.5175.257.9172.5000110I200 Y219I200-I217 HydrophobicContact CB-CG1 4.44Å; I200-I217 PolarHBondContact N-O 3.42Å; I200-I217 PolarHBondContact O-N 3.26Å; I217-Y219 HydrophobicContact CD1-CG 4.38Å; I217-Y219 PolarHBondContact O-N 2.85Å
218C85.8Confident60.3Low1 Ų185.7 Ų85.71%0.00749%0.493CS..EExtended strand (participates in β ladder)trans-91.892.8173.6175.30000109.1W117 E120 W125 C132 R197W117-C218 HydrophobicContact CZ3-CB 4.23Å; E120-C218 PolarHBondContact OE1-N 3.35Å; W125-C218 HydrophobicContact CD2-CB 3.7Å; W125-C218 HydrophobicContact CE3-CB 3.69Å; W125-C218 HydrophobicContact CG-CB 4.11Å; W125-C218 HydrophobicContact CZ3-CB 4.14Å; C132-C218 WeakPolarHBondContact CA-SG 3.48Å; C132-C218 HydrophobicContact CB-CB 3.89Å; C132-C218 WeakPolarHBondContact CB-SG 3.47Å; C132-C218 WeakPolarHBondContact SG-CA 3.37Å; C132-C218 WeakPolarHBondContact SG-CB 3.39Å; C132-C218 CovalentContact SG-SG 2.03Å; C132-C218 PolarHBondContact SG-SG 2.89Å; R197-C218 PolarHBondContact NH1-O 3.39Å
219Y81.3Confident61.5Low62 Ų6289.1 Ų89.124%0.24349%0.486CS..EExtended strand (participates in β ladder)trans-128.6163.1-170.6-155.3-98.5000112.6E198 I217 N221 R301E198-Y219 PolarHBondContact N-O 3.39Å; E198-Y219 PolarHBondContact O-N 3.46Å; I217-Y219 HydrophobicContact CD1-CG 4.38Å; I217-Y219 PolarHBondContact O-N 2.85Å; Y219-N221 PolarHBondContact O-N 3.26Å; Y219-R301 PolarHBondContact OH-NH2 3.27Å
220E76.3Confident63Low14 Ų1490.5 Ų90.57%0.06549%0.486CS..EExtended strand (participates in β ladder)trans-72.3127.7177.8-69.6168.8108.400109.3Q196 R197 L222 R235 R238Q196-E220 WeakPolarHBondContact O-CA 3.49Å; R197-E220 HydrophobicContact CG-CG 4.24Å; E220-L222 HydrophobicContact CB-CD1 3.68Å; E220-L222 WeakPolarHBondContact O-CD1 3.29Å; E220-L222 PolarHBondContact O-N 3.32Å; E220-L222 VanDerWaalsContact O-N 3.08Å; E220-R235 VanDerWaalsContact CD-CZ 3.44Å; E220-R235 IonicContact OE1-CZ 3.96Å; E220-R235 IonicContact OE1-NE 3.87Å; E220-R235 PolarHBondContact OE1-NE 2.92Å; E220-R235 IonicContact OE1-NH2 2.76Å; E220-R235 PolarHBondContact OE1-NH2 3.44Å; E220-R235 IonicContact OE2-CZ 3.03Å; E220-R235 IonicContact OE2-NE 3.79Å; E220-R235 IonicContact OE2-NH1 3.12Å; E220-R235 IonicContact OE2-NH2 3.89Å; E220-R235 PolarHBondContact OE2-NH2 3.4Å; E220-R238 IonicContact OE1-NH2 2.86Å
221N69.2Low64.2Low47 Ų4787.8 Ų87.825%0.25146%0.46SS..  trans-74.698.4177.4-175.1-19.6000109.5Q196 E198 I200 Y219 T223 R231Q196-N221 PolarHBondContact O-N 3.34Å; E198-N221 PolarHBondContact OE2-ND2 3.1Å; I200-N221 HydrophobicContact CD1-CB 4.38Å; Y219-N221 PolarHBondContact O-N 3.26Å; N221-T223 PolarHBondContact OD1-N 3.22Å; N221-T223 PolarHBondContact OD1-OG1 2.97Å; N221-R231 PolarHBondContact O-NH1 3.49Å
222L60.6Low65.7Low64 Ų6481.9 Ų81.934%0.33543%0.43SS..  trans-91.8-6.9176.8-83.877.6000113.1E220 G224E220-L222 HydrophobicContact CB-CD1 3.68Å; E220-L222 WeakPolarHBondContact O-CD1 3.29Å; E220-L222 PolarHBondContact O-N 3.32Å; E220-L222 VanDerWaalsContact O-N 3.08Å; L222-G224 VanDerWaalsContact C-N 3.27Å; L222-G224 PolarHBondContact O-N 3.05Å; L222-G224 VanDerWaalsContact O-N 3.14Å
223T53.6Low67.1Low126 Ų12681.3 Ų81.377%0.77342%0.424SS*.  trans-8011.1-168.5240000115.9N221N221-T223 PolarHBondContact OD1-N 3.22Å; N221-T223 PolarHBondContact OD1-OG1 2.97Å
224G51.3Low68.3Low27 Ų2776.9 Ų76.928%0.27840%0.4SS..SBendtrans-88.4120.4175.300000111.6L222 S226L222-G224 VanDerWaalsContact C-N 3.27Å; L222-G224 PolarHBondContact O-N 3.05Å; L222-G224 VanDerWaalsContact O-N 3.14Å; G224-S226 PolarHBondContact O-N 3.03Å
225E48.9Very low69Low213 Ų21373.7 Ų73.7100%0.99539%0.385SS*.SBendtrans-53.923.4-179.6-84.1-163.4113.700117.7
226S45.2Very low69.3Low79 Ų7970.1 Ų70.155%0.55237%0.373SS*.SBendtrans-121.8108.3-179.647.30000112.9G224G224-S226 PolarHBondContact O-N 3.03Å
227S54.9Low69.4Low78 Ų7874.7 Ų74.755%0.54540%0.396SS..  trans37.983.8166.1-160.80000116.1Q229 W230S227-Q229 PolarHBondContact O-N 3.47Å; S227-W230 PolarHBondContact O-N 2.73Å; S227-W230 VanDerWaalsContact O-N 3.09Å
228D64.9Low69.3Low100 Ų10072.5 Ų72.554%0.53538%0.383SS..Hα-helixtrans-49.6-32.4174.5-66-42.9000113.1W230 R231 V232D228-W230 PolarHBondContact O-N 2.94Å; D228-R231 PolarHBondContact O-N 3.33Å; D228-V232 WeakPolarHBondContact O-CB 3.27Å; D228-V232 WeakPolarHBondContact O-CG2 3.5Å; D228-V232 PolarHBondContact O-N 3.06Å
229Q67.8Low69Low159 Ų15972.9 Ų72.974%0.74339%0.385SS*.Hα-helixtrans-64.3-38.7-179.8-65.6-168.2-16.500113.7S227 G233S227-Q229 PolarHBondContact O-N 3.47Å; Q229-G233 PolarHBondContact O-N 3.26Å
230W71.9Confident69.1Low188 Ų18872.9 Ų72.971%0.71239%0.391SS*.Hα-helixtrans-69.6-39178.9175.3-106.2000111.6S227 D228 G233 L234S227-W230 PolarHBondContact O-N 2.73Å; S227-W230 VanDerWaalsContact O-N 3.09Å; D228-W230 PolarHBondContact O-N 2.94Å; W230-G233 PolarHBondContact O-N 2.97Å; W230-L234 WeakPolarHBondContact O-CB 3.21Å; W230-L234 PolarHBondContact O-N 2.86Å
231R69.9Low69.4Low65 Ų6574.9 Ų74.925%0.24540%0.404CS..Hα-helixtrans-65.9-44.8178.1-64.8179.2-179.3-142.1-1.1111.5N221 D228 L234 R235N221-R231 PolarHBondContact O-NH1 3.49Å; D228-R231 PolarHBondContact O-N 3.33Å; R231-L234 PolarHBondContact O-N 3.15Å; R231-R235 WeakPolarHBondContact O-CB 3.5Å; R231-R235 PolarHBondContact O-N 3.43Å
232V73.9Confident70Confident28 Ų2872.6 Ų72.617%0.1739%0.392CS..Hα-helixtrans-60.6-47.8173.9171.10000110.2D228 L234 R235 V236 T298D228-V232 WeakPolarHBondContact O-CB 3.27Å; D228-V232 WeakPolarHBondContact O-CG2 3.5Å; D228-V232 PolarHBondContact O-N 3.06Å; V232-L234 PolarHBondContact O-N 3.41Å; V232-R235 PolarHBondContact O-N 3.15Å; V232-R235 VanDerWaalsContact O-N 3.16Å; V232-V236 HydrophobicContact CG1-CG2 4.34Å; V232-V236 VanDerWaalsContact O-CG2 3.31Å; V232-V236 WeakPolarHBondContact O-CG2 3.38Å; V232-V236 PolarHBondContact O-N 2.85Å; V232-T298 HydrophobicContact CG1-CG2 3.96Å
233G76.9Confident71.2Confident39 Ų3969.7 Ų69.740%0.40238%0.377SS..Hα-helixtrans-57.4-44.3177.100000113.1Q229 W230 V236 L237Q229-G233 PolarHBondContact O-N 3.26Å; W230-G233 PolarHBondContact O-N 2.97Å; G233-V236 PolarHBondContact O-N 3.25Å; G233-L237 VanDerWaalsContact O-CB 3.25Å; G233-L237 WeakPolarHBondContact O-CB 3.37Å; G233-L237 PolarHBondContact O-N 2.8Å
234L78Confident72.9Confident51 Ų5166 Ų6627%0.26735%0.35SS..Hα-helixtrans-64.3-42176-166.579.7000111.9P192 W230 R231 V232 L237 R238P192-L234 HydrophobicContact CB-CD2 4.06Å; P192-L234 HydrophobicContact CG-CD2 4.48Å; W230-L234 WeakPolarHBondContact O-CB 3.21Å; W230-L234 PolarHBondContact O-N 2.86Å; R231-L234 PolarHBondContact O-N 3.15Å; V232-L234 PolarHBondContact O-N 3.41Å; L234-L237 PolarHBondContact O-N 2.8Å; L234-R238 VanDerWaalsContact O-CB 3.3Å; L234-R238 WeakPolarHBondContact O-CB 3.35Å; L234-R238 PolarHBondContact O-N 2.93Å
235R78.4Confident74.7Confident21 Ų2169.5 Ų69.58%0.07936%0.362CS..Hα-helixtrans-65-42.6178.2-173.8-178.8-71.6175.35.5111.7E220 R231 V232 R238 H239 T298E220-R235 VanDerWaalsContact CD-CZ 3.44Å; E220-R235 IonicContact OE1-CZ 3.96Å; E220-R235 IonicContact OE1-NE 3.87Å; E220-R235 PolarHBondContact OE1-NE 2.92Å; E220-R235 IonicContact OE1-NH2 2.76Å; E220-R235 PolarHBondContact OE1-NH2 3.44Å; E220-R235 IonicContact OE2-CZ 3.03Å; E220-R235 IonicContact OE2-NE 3.79Å; E220-R235 IonicContact OE2-NH1 3.12Å; E220-R235 IonicContact OE2-NH2 3.89Å; E220-R235 PolarHBondContact OE2-NH2 3.4Å; R231-R235 WeakPolarHBondContact O-CB 3.5Å; R231-R235 PolarHBondContact O-N 3.43Å; V232-R235 PolarHBondContact O-N 3.15Å; V232-R235 VanDerWaalsContact O-N 3.16Å; R235-R238 PolarHBondContact O-N 3.21Å; R235-H239 PolarHBondContact O-N 3.44Å; R235-H239 VanDerWaalsContact O-N 3.14Å; R235-H239 PolarHBondContact O-ND1 3.4Å; R235-T298 HydrophobicContact CB-CG2 4.21Å; R235-T298 WeakPolarHBondContact CD-OG1 3.35Å; R235-T298 HydrophobicContact CG-CG2 4.11Å
236V80.9Confident76.5Confident40 Ų4059.6 Ų59.624%0.24232%0.316CS..Hα-helixtrans-65.3-46.9176172.20000110.6V232 G233 R238 H239 T240 L295 T298V232-V236 HydrophobicContact CG1-CG2 4.34Å; V232-V236 VanDerWaalsContact O-CG2 3.31Å; V232-V236 WeakPolarHBondContact O-CG2 3.38Å; V232-V236 PolarHBondContact O-N 2.85Å; G233-V236 PolarHBondContact O-N 3.25Å; V236-R238 VanDerWaalsContact C-N 3.31Å; V236-R238 PolarHBondContact O-N 2.89Å; V236-H239 PolarHBondContact O-N 3.34Å; V236-T240 WeakPolarHBondContact O-CB 3.48Å; V236-T240 PolarHBondContact O-N 3.33Å; V236-T240 PolarHBondContact O-OG1 2.87Å; V236-L295 HydrophobicContact CB-CD1 4.45Å; V236-L295 HydrophobicContact CG1-CD1 4.14Å; V236-L295 HydrophobicContact CG2-CD1 3.93Å; V236-T298 HydrophobicContact CG2-CG2 3.95Å
237L82.9Confident78.5Confident102 Ų10257.3 Ų57.353%0.53430%0.297SS..Hα-helixtrans-58.3-44.7177.5179.665.4000111G233 L234 T240 V241G233-L237 VanDerWaalsContact O-CB 3.25Å; G233-L237 WeakPolarHBondContact O-CB 3.37Å; G233-L237 PolarHBondContact O-N 2.8Å; L234-L237 PolarHBondContact O-N 2.8Å; L237-T240 PolarHBondContact O-N 2.93Å; L237-V241 HydrophobicContact CD1-CG2 3.82Å; L237-V241 HydrophobicContact CG-CG2 4.3Å; L237-V241 WeakPolarHBondContact O-CB 3.16Å; L237-V241 WeakPolarHBondContact O-CG2 3.36Å; L237-V241 PolarHBondContact O-N 3.2Å
238R82.3Confident80.1Confident18 Ų1858.4 Ų58.47%0.06830%0.301CS..Hα-helixtrans-58.8-50.2178-177.9179.770.1-148.93.5112Y144 E220 L234 R235 V236 T240 G242Y144-R238 WeakPolarHBondContact OH-CD 3.43Å; Y144-R238 VanDerWaalsContact OH-CG 3.29Å; Y144-R238 WeakPolarHBondContact OH-CG 3.08Å; E220-R238 IonicContact OE1-NH2 2.86Å; L234-R238 VanDerWaalsContact O-CB 3.3Å; L234-R238 WeakPolarHBondContact O-CB 3.35Å; L234-R238 PolarHBondContact O-N 2.93Å; R235-R238 PolarHBondContact O-N 3.21Å; V236-R238 VanDerWaalsContact C-N 3.31Å; V236-R238 PolarHBondContact O-N 2.89Å; R238-T240 VanDerWaalsContact C-N 3.32Å; R238-T240 PolarHBondContact O-N 3.15Å; R238-G242 WeakPolarHBondContact O-CA 3.36Å; R238-G242 PolarHBondContact O-N 3.44Å
239H80.9Confident81.1Confident10 Ų1056.3 Ų56.35%0.04629%0.291CS..Hα-helixtrans-64.4-38.9177-75.984000111.8R235 V236 F243 F244 N291 V294R235-H239 PolarHBondContact O-N 3.44Å; R235-H239 VanDerWaalsContact O-N 3.14Å; R235-H239 PolarHBondContact O-ND1 3.4Å; V236-H239 PolarHBondContact O-N 3.34Å; H239-F243 WeakPolarHBondContact O-CB 3.28Å; H239-F243 PolarHBondContact O-N 3.19Å; H239-F244 WeakPolarHBondContact O-CD2 3.46Å; H239-F244 PolarHBondContact O-N 3.17Å; H239-N291 PolarHBondContact CD2-OD1 2.93Å; H239-V294 VanDerWaalsContact NE2-CG1 3.35Å; H239-V294 WeakPolarHBondContact NE2-CG1 3.44Å
240T83.3Confident82Confident62 Ų6248.9 Ų48.938%0.3826%0.257SS..Iπ-helixtrans-62.9-50.1178.9-55.40000111.7V236 L237 R238 F244 L245V236-T240 WeakPolarHBondContact O-CB 3.48Å; V236-T240 PolarHBondContact O-N 3.33Å; V236-T240 PolarHBondContact O-OG1 2.87Å; L237-T240 PolarHBondContact O-N 2.93Å; R238-T240 VanDerWaalsContact C-N 3.32Å; R238-T240 PolarHBondContact O-N 3.15Å; T240-F244 PolarHBondContact O-N 2.88Å; T240-L245 PolarHBondContact O-N 2.79Å
241V82.3Confident82.6Confident55 Ų5543 Ų4333%0.33325%0.248SC..Iπ-helixtrans-74.2-39.7-179.1174.80000111.6L237 P246L237-V241 HydrophobicContact CD1-CG2 3.82Å; L237-V241 HydrophobicContact CG-CG2 4.3Å; L237-V241 WeakPolarHBondContact O-CB 3.16Å; L237-V241 WeakPolarHBondContact O-CG2 3.36Å; L237-V241 PolarHBondContact O-N 3.2Å; V241-P246 VanDerWaalsContact O-CD 3.25Å; V241-P246 WeakPolarHBondContact O-CD 3.4Å
242G81.7Confident83.4Confident0 Ų046.2 Ų46.20%026%0.264CS..Iπ-helixtrans-77.8-27-174.900000114.5R238R238-G242 WeakPolarHBondContact O-CA 3.36Å; R238-G242 PolarHBondContact O-N 3.44Å
243F86.5Confident83.8Confident2 Ų245.5 Ų45.51%0.00926%0.26CS..Iπ-helixtrans-126.9-56.5-174.9-173.2-96.2000113.7V147 H239 P246 L247 F283 W287 L288 N291V147-F243 HydrophobicContact CG2-CD2 4Å; H239-F243 WeakPolarHBondContact O-CB 3.28Å; H239-F243 PolarHBondContact O-N 3.19Å; F243-P246 WeakPolarHBondContact O-CD 3.09Å; F243-L247 HydrophobicContact CE1-CD2 4.18Å; F243-L247 WeakPolarHBondContact O-CB 3.42Å; F243-L247 PolarHBondContact O-N 3.4Å; F243-F283 HydrophobicContact CD2-CE1 4.25Å; F243-F283 AromaticContact CE2-CE1 3.54Å; F243-F283 HydrophobicContact CE2-CE1 3.54Å; F243-F283 HydrophobicContact CE2-CZ 4.03Å; F243-F283 HydrophobicContact CZ-CE1 4.39Å; F243-W287 HydrophobicContact CD2-CB 4.48Å; F243-W287 HydrophobicContact CE2-CB 3.44Å; F243-W287 VanDerWaalsContact CE2-CB 3.44Å; F243-W287 HydrophobicContact CE2-CG 4.41Å; F243-W287 HydrophobicContact CZ-CB 3.84Å; F243-L288 HydrophobicContact CE1-CB 4.35Å; F243-L288 HydrophobicContact CE1-CD1 3.83Å; F243-L288 HydrophobicContact CZ-CB 4.21Å; F243-N291 HydrophobicContact CD1-CB 3.87Å; F243-N291 HydrophobicContact CE1-CB 4.05Å; F243-N291 HydrophobicContact CG-CB 4.21Å
244F89.1Confident84Confident50 Ų5044.3 Ų44.322%0.21924%0.244CC..Iπ-helixtrans-70.2-40.7-171.2-67.8-79.9000113.3H239 T240 L247 V248 L288 N291 V292 L295H239-F244 WeakPolarHBondContact O-CD2 3.46Å; H239-F244 PolarHBondContact O-N 3.17Å; T240-F244 PolarHBondContact O-N 2.88Å; F244-L247 WeakPolarHBondContact O-CB 3.32Å; F244-L247 PolarHBondContact O-N 2.95Å; F244-V248 WeakPolarHBondContact O-CG2 3.36Å; F244-V248 PolarHBondContact O-N 2.9Å; F244-L288 HydrophobicContact CE1-CD1 4.22Å; F244-N291 HydrophobicContact CZ-CB 4.5Å; F244-V292 HydrophobicContact CE1-CG2 4.44Å; F244-V292 HydrophobicContact CZ-CG2 4.34Å; F244-L295 HydrophobicContact CE2-CD2 4.28Å; F244-L295 HydrophobicContact CZ-CD2 4.27Å
245L87.6Confident84.2Confident100 Ų10043.7 Ų43.752%0.52425%0.25SC..Hα-helixtrans-62.5-50176.9178155.4000112T240 L247 V248 V249T240-L245 PolarHBondContact O-N 2.79Å; L245-L247 VanDerWaalsContact C-N 3.26Å; L245-L247 PolarHBondContact O-N 2.97Å; L245-V248 PolarHBondContact O-N 2.93Å; L245-V249 HydrophobicContact CD2-CG2 4.42Å; L245-V249 WeakPolarHBondContact O-CG2 3.38Å; L245-V249 PolarHBondContact O-N 3.49Å; L245-V249 VanDerWaalsContact O-N 3.1Å
246P86.4Confident84.4Confident4 Ų449.1 Ų49.13%0.02627%0.27CS..Hα-helixtrans-58.7-35.7172.7-28.435.1000113.8V147 F148 A151 V241 F243 V248 V249 M250V147-P246 HydrophobicContact CG1-CB 3.21Å; V147-P246 HydrophobicContact CG1-CG 3.6Å; F148-P246 HydrophobicContact CD1-CB 4.34Å; F148-P246 HydrophobicContact CD1-CG 3.63Å; F148-P246 HydrophobicContact CE1-CG 3.44Å; F148-P246 VanDerWaalsContact CE1-CG 3.44Å; A151-P246 HydrophobicContact CB-CB 4.41Å; V241-P246 VanDerWaalsContact O-CD 3.25Å; V241-P246 WeakPolarHBondContact O-CD 3.4Å; F243-P246 WeakPolarHBondContact O-CD 3.09Å; P246-V248 PolarHBondContact O-N 3.34Å; P246-V249 PolarHBondContact O-N 3.02Å; P246-M250 WeakPolarHBondContact O-CB 3.16Å; P246-M250 VanDerWaalsContact O-CG 3.3Å; P246-M250 WeakPolarHBondContact O-CG 3.46Å; P246-M250 PolarHBondContact O-N 3.26Å
247L88.6Confident84.2Confident31 Ų3147.2 Ų47.216%0.16226%0.259CS..Hα-helixtrans-61-43.9176.5-177.764000111.8F243 F244 L245 M250 A251 I284 L288F243-L247 HydrophobicContact CE1-CD2 4.18Å; F243-L247 WeakPolarHBondContact O-CB 3.42Å; F243-L247 PolarHBondContact O-N 3.4Å; F244-L247 WeakPolarHBondContact O-CB 3.32Å; F244-L247 PolarHBondContact O-N 2.95Å; L245-L247 VanDerWaalsContact C-N 3.26Å; L245-L247 PolarHBondContact O-N 2.97Å; L247-M250 HydrophobicContact CD1-CE 4.25Å; L247-M250 PolarHBondContact O-N 3.05Å; L247-A251 WeakPolarHBondContact O-CB 3.4Å; L247-A251 PolarHBondContact O-N 3.03Å; L247-I284 HydrophobicContact CD1-CD1 3.54Å; L247-I284 HydrophobicContact CD1-CG1 3.52Å; L247-L288 HydrophobicContact CD2-CD1 4.13Å
248V88.3Confident83.9Confident102 Ų10244.1 Ų44.162%0.61824%0.244SC*.Hα-helixtrans-62.4-44.9175.4173.30000111F244 L245 P246 M250 A251 F252F244-V248 WeakPolarHBondContact O-CG2 3.36Å; F244-V248 PolarHBondContact O-N 2.9Å; L245-V248 PolarHBondContact O-N 2.93Å; P246-V248 PolarHBondContact O-N 3.34Å; V248-M250 PolarHBondContact O-N 3.01Å; V248-A251 PolarHBondContact O-N 3.45Å; V248-F252 PolarHBondContact O-N 3.4Å
249V86.4Confident83.9Confident56 Ų5647.6 Ų47.634%0.33927%0.267SS..Hα-helixtrans-60.1-46.2176.5174.40000110.9V155 L245 P246 F252 C253V155-V249 HydrophobicContact CG2-CG1 4.42Å; L245-V249 HydrophobicContact CD2-CG2 4.42Å; L245-V249 WeakPolarHBondContact O-CG2 3.38Å; L245-V249 PolarHBondContact O-N 3.49Å; L245-V249 VanDerWaalsContact O-N 3.1Å; P246-V249 PolarHBondContact O-N 3.02Å; V249-F252 PolarHBondContact O-N 3.26Å; V249-C253 WeakPolarHBondContact O-CB 3.5Å; V249-C253 PolarHBondContact O-N 3.45Å; V249-C253 PolarHBondContact O-SG 2.68Å; V249-C253 VanDerWaalsContact O-SG 3.35Å
250M85.1Confident83.5Confident3 Ų348.6 Ų48.62%0.01527%0.274CS..Hα-helixtrans-59.6-48.5176.2-74.9-169.9-7100111.4V147 L150 A151 P246 L247 V248 F252 C253 Y254 V280V147-M250 HydrophobicContact CG1-CE 4.48Å; L150-M250 HydrophobicContact CB-SD 3.6Å; L150-M250 VanDerWaalsContact CB-SD 3.6Å; A151-M250 HydrophobicContact CB-CG 3.99Å; P246-M250 WeakPolarHBondContact O-CB 3.16Å; P246-M250 VanDerWaalsContact O-CG 3.3Å; P246-M250 WeakPolarHBondContact O-CG 3.46Å; P246-M250 PolarHBondContact O-N 3.26Å; L247-M250 HydrophobicContact CD1-CE 4.25Å; L247-M250 PolarHBondContact O-N 3.05Å; V248-M250 PolarHBondContact O-N 3.01Å; M250-F252 VanDerWaalsContact C-N 3.34Å; M250-F252 PolarHBondContact O-N 2.96Å; M250-C253 PolarHBondContact O-N 2.9Å; M250-Y254 HydrophobicContact CB-CD2 4.21Å; M250-Y254 HydrophobicContact CB-CE2 4.39Å; M250-Y254 VanDerWaalsContact O-CB 3.28Å; M250-Y254 WeakPolarHBondContact O-CB 3.42Å; M250-Y254 WeakPolarHBondContact O-CD2 3.4Å; M250-Y254 PolarHBondContact O-N 3.43Å; M250-V280 HydrophobicContact SD-CG1 4.35Å
251A85.8Confident83Confident65 Ų6546.1 Ų46.154%0.53726%0.258SS..Hα-helixtrans-59-44.9-18000000111.7L247 V248 G255L247-A251 WeakPolarHBondContact O-CB 3.4Å; L247-A251 PolarHBondContact O-N 3.03Å; V248-A251 PolarHBondContact O-N 3.45Å; A251-G255 PolarHBondContact O-N 3.24Å
252F85.8Confident82.7Confident131 Ų13151.4 Ų51.458%0.57528%0.277SS*.Hα-helixtrans-64.4-51.5177.2-177.4-96.9000112.1V248 V249 M250 Y254 G255 W256V248-F252 PolarHBondContact O-N 3.4Å; V249-F252 PolarHBondContact O-N 3.26Å; M250-F252 VanDerWaalsContact C-N 3.34Å; M250-F252 PolarHBondContact O-N 2.96Å; F252-Y254 PolarHBondContact O-N 3.22Å; F252-G255 PolarHBondContact O-N 2.83Å; F252-W256 HydrophobicContact CE2-CE3 4.18Å; F252-W256 HydrophobicContact CE2-CZ3 4.23Å; F252-W256 HydrophobicContact CZ-CE3 4.05Å; F252-W256 HydrophobicContact CZ-CZ3 4.2Å; F252-W256 PolarHBondContact O-N 3.06Å; F252-W256 VanDerWaalsContact O-N 3.15Å
253C82.7Confident82.2Confident13 Ų1356.2 Ų56.29%0.08831%0.311CS..Hα-helixtrans-62.6-41.8-179.5-71.50000112.1V249 M250 T257V249-C253 WeakPolarHBondContact O-CB 3.5Å; V249-C253 PolarHBondContact O-N 3.45Å; V249-C253 PolarHBondContact O-SG 2.68Å; V249-C253 VanDerWaalsContact O-SG 3.35Å; M250-C253 PolarHBondContact O-N 2.9Å; C253-T257 WeakPolarHBondContact O-CB 3.47Å; C253-T257 PolarHBondContact O-N 2.93Å; C253-T257 PolarHBondContact O-OG1 3.42Å
254Y81.8Confident81.3Confident15 Ų1558.4 Ų58.46%0.05933%0.325CS..Hα-helixtrans-70.9-41.6177.9-81.5-57.9000112.7S154 M250 F252 W256 T257 V258 M273 I276 V280S154-Y254 WeakPolarHBondContact OG-CE2 3.22Å; S154-Y254 PolarHBondContact OG-OH 3.38Å; S154-Y254 VanDerWaalsContact OG-OH 3.07Å; M250-Y254 HydrophobicContact CB-CD2 4.21Å; M250-Y254 HydrophobicContact CB-CE2 4.39Å; M250-Y254 VanDerWaalsContact O-CB 3.28Å; M250-Y254 WeakPolarHBondContact O-CB 3.42Å; M250-Y254 WeakPolarHBondContact O-CD2 3.4Å; M250-Y254 PolarHBondContact O-N 3.43Å; F252-Y254 PolarHBondContact O-N 3.22Å; Y254-W256 VanDerWaalsContact C-N 3.29Å; Y254-W256 PolarHBondContact O-N 3.2Å; Y254-T257 PolarHBondContact O-N 3.28Å; Y254-V258 VanDerWaalsContact O-CB 3.29Å; Y254-V258 WeakPolarHBondContact O-CB 3.26Å; Y254-V258 WeakPolarHBondContact O-CG2 3.24Å; Y254-V258 PolarHBondContact O-N 3.11Å; Y254-M273 HydrophobicContact CD1-CE 3.27Å; Y254-M273 HydrophobicContact CE1-CE 3.53Å; Y254-M273 HydrophobicContact CE1-SD 4.49Å; Y254-I276 HydrophobicContact CE1-CG2 3.81Å; Y254-I276 WeakPolarHBondContact OH-CG2 3.27Å; Y254-V280 HydrophobicContact CD2-CG1 3.98Å; Y254-V280 HydrophobicContact CD2-CG2 4.28Å; Y254-V280 HydrophobicContact CE2-CB 3.97Å; Y254-V280 HydrophobicContact CE2-CG1 3.75Å; Y254-V280 HydrophobicContact CE2-CG2 3.29Å; Y254-V280 WeakPolarHBondContact OH-CG2 3.37Å
255G81.9Confident80.1Confident38 Ų3868 Ų6839%0.39236%0.359SS..Hα-helixtrans-52.3-51.3175.100000110.8A251 F252 T257 V258 V259A251-G255 PolarHBondContact O-N 3.24Å; F252-G255 PolarHBondContact O-N 2.83Å; G255-T257 PolarHBondContact O-N 2.83Å; G255-V258 PolarHBondContact O-N 3.47Å; G255-V259 VanDerWaalsContact O-CG2 3.28Å; G255-V259 WeakPolarHBondContact O-CG2 3.34Å; G255-V259 PolarHBondContact O-N 2.91Å
256W81.4Confident79.2Confident134 Ų13465.1 Ų65.151%0.50835%0.348SS..Hα-helixtrans-65.8-40.7179.1-141-77.9000113.5Y158 F252 Y254 T260Y158-W256 HydrophobicContact CD2-CB 4.21Å; Y158-W256 HydrophobicContact CE2-CB 4.11Å; Y158-W256 AromaticContact CE2-CD1 3.84Å; Y158-W256 HydrophobicContact CE2-CG 4.01Å; F252-W256 HydrophobicContact CE2-CE3 4.18Å; F252-W256 HydrophobicContact CE2-CZ3 4.23Å; F252-W256 HydrophobicContact CZ-CE3 4.05Å; F252-W256 HydrophobicContact CZ-CZ3 4.2Å; F252-W256 PolarHBondContact O-N 3.06Å; F252-W256 VanDerWaalsContact O-N 3.15Å; Y254-W256 VanDerWaalsContact C-N 3.29Å; Y254-W256 PolarHBondContact O-N 3.2Å; W256-T260 WeakPolarHBondContact O-CB 3.3Å; W256-T260 PolarHBondContact O-N 3.46Å; W256-T260 PolarHBondContact O-OG1 3.28Å
257T76.9Confident78Confident0 Ų070.9 Ų70.90%037%0.374CS..Hα-helixtrans-64.7-42.2179.4-57.80000111.1Y158 I161 C253 Y254 G255 L261 M273Y158-T257 WeakPolarHBondContact CA-OG1 3.09Å; I161-T257 HydrophobicContact CB-CG2 4.32Å; I161-T257 HydrophobicContact CD1-CG2 3.64Å; I161-T257 HydrophobicContact CG2-CG2 4.44Å; C253-T257 WeakPolarHBondContact O-CB 3.47Å; C253-T257 PolarHBondContact O-N 2.93Å; C253-T257 PolarHBondContact O-OG1 3.42Å; Y254-T257 PolarHBondContact O-N 3.28Å; G255-T257 PolarHBondContact O-N 2.83Å; T257-L261 WeakPolarHBondContact O-CB 3.31Å; T257-L261 PolarHBondContact O-N 3.4Å; T257-M273 HydrophobicContact CG2-CE 3.4Å; T257-M273 HydrophobicContact CG2-SD 3.74Å
258V77.6Confident76.7Confident37 Ų3777.3 Ų77.322%0.22440%0.403CS..Hα-helixtrans-66.1-47.1178.3169.40000110.7Y254 G255 T260 L261 F262 M273 L277Y254-V258 VanDerWaalsContact O-CB 3.29Å; Y254-V258 WeakPolarHBondContact O-CB 3.26Å; Y254-V258 WeakPolarHBondContact O-CG2 3.24Å; Y254-V258 PolarHBondContact O-N 3.11Å; G255-V258 PolarHBondContact O-N 3.47Å; V258-T260 PolarHBondContact O-N 3.43Å; V258-L261 WeakPolarHBondContact O-CB 3.32Å; V258-L261 PolarHBondContact O-N 3.06Å; V258-F262 HydrophobicContact CG1-CD2 3.61Å; V258-F262 HydrophobicContact CG1-CE2 3.35Å; V258-F262 WeakPolarHBondContact O-CD2 3.1Å; V258-F262 PolarHBondContact O-N 3.11Å; V258-M273 HydrophobicContact CG2-CE 4.12Å; V258-L277 HydrophobicContact CG2-CD1 3.78Å
259V81.5Confident75.7Confident92 Ų9276.1 Ų76.156%0.55839%0.39SS*.Hα-helixtrans-57.3-49.9176.2169.80000111G255 L261 F262 S263G255-V259 VanDerWaalsContact O-CG2 3.28Å; G255-V259 WeakPolarHBondContact O-CG2 3.34Å; G255-V259 PolarHBondContact O-N 2.91Å; V259-L261 PolarHBondContact O-N 3.36Å; V259-F262 PolarHBondContact O-N 3.35Å; V259-S263 PolarHBondContact O-N 3.17Å; V259-S263 VanDerWaalsContact O-N 3.13Å; V259-S263 PolarHBondContact O-OG 3.44Å
260T73.8Confident74.8Confident31 Ų3176 Ų7619%0.1939%0.386CS..Hα-helixtrans-63.6-33.9179.7-52.40000112.3V162 W256 V258 S263 T264V162-T260 HydrophobicContact CB-CG2 4.44Å; V162-T260 HydrophobicContact CG1-CG2 4.41Å; V162-T260 HydrophobicContact CG2-CG2 4.09Å; W256-T260 WeakPolarHBondContact O-CB 3.3Å; W256-T260 PolarHBondContact O-N 3.46Å; W256-T260 PolarHBondContact O-OG1 3.28Å; V258-T260 PolarHBondContact O-N 3.43Å; T260-S263 PolarHBondContact O-N 3.16Å; T260-T264 PolarHBondContact O-N 3.46Å; T260-T264 PolarHBondContact O-OG1 2.89Å
261L72.8Confident74Confident10 Ų1079.5 Ų79.55%0.05240%0.401CS..Hα-helixtrans-71.2-39178.7179.864.1000111.7T257 V258 V259 S263 T264 K269 H270 M273T257-L261 WeakPolarHBondContact O-CB 3.31Å; T257-L261 PolarHBondContact O-N 3.4Å; V258-L261 WeakPolarHBondContact O-CB 3.32Å; V258-L261 PolarHBondContact O-N 3.06Å; V259-L261 PolarHBondContact O-N 3.36Å; L261-S263 VanDerWaalsContact C-N 3.28Å; L261-S263 PolarHBondContact O-N 2.87Å; L261-T264 PolarHBondContact O-N 3.49Å; L261-T264 VanDerWaalsContact O-N 3.11Å; L261-K269 HydrophobicContact CD1-CB 3.6Å; L261-H270 VanDerWaalsContact CG-CE1 3.41Å; L261-H270 WeakPolarHBondContact CG-CE1 3.5Å; L261-H270 WeakPolarHBondContact CG-ND1 3.24Å; L261-H270 PolarHBondContact O-CE1 2.62Å; L261-H270 PolarHBondContact O-NE2 2.88Å; L261-M273 HydrophobicContact CD2-CB 3.56Å; L261-M273 HydrophobicContact CD2-CG 3.56Å
262F74.8Confident73.1Confident165 Ų16579 Ų7972%0.72440%0.396SS*.Hα-helixtrans-63.2-35.1171.5-81.2-66000112.2V258 V259 T264V258-F262 HydrophobicContact CG1-CD2 3.61Å; V258-F262 HydrophobicContact CG1-CE2 3.35Å; V258-F262 WeakPolarHBondContact O-CD2 3.1Å; V258-F262 PolarHBondContact O-N 3.11Å; V259-F262 PolarHBondContact O-N 3.35Å; F262-T264 PolarHBondContact O-N 2.9Å
263S72.3Confident72.6Confident102 Ų10273 Ų7371%0.71337%0.37SS*.THydrogen-bonded Turntrans-71.6-13.4174-56.10000113.9V259 T260 L261V259-S263 PolarHBondContact O-N 3.17Å; V259-S263 VanDerWaalsContact O-N 3.13Å; V259-S263 PolarHBondContact O-OG 3.44Å; T260-S263 PolarHBondContact O-N 3.16Å; L261-S263 VanDerWaalsContact C-N 3.28Å; L261-S263 PolarHBondContact O-N 2.87Å
264T67.8Low72.4Confident48 Ų4879.3 Ų79.329%0.29439%0.392SS..SBendtrans-110.7127.3-175.8-52.80000112.4T260 L261 F262 S266 H270T260-T264 PolarHBondContact O-N 3.46Å; T260-T264 PolarHBondContact O-OG1 2.89Å; L261-T264 PolarHBondContact O-N 3.49Å; L261-T264 VanDerWaalsContact O-N 3.11Å; F262-T264 PolarHBondContact O-N 2.9Å; T264-S266 PolarHBondContact O-N 3.5Å; T264-H270 PolarHBondContact O-NE2 3.5Å; T264-H270 VanDerWaalsContact O-NE2 3.16Å
265R64.1Low72.3Confident251 Ų25179.7 Ų79.795%0.94740%0.396SS*.  trans-74.121.1-177.6-129.4175.7179.4169.8-1.7115.8Q267R265-Q267 PolarHBondContact O-N 3.4Å
266S67.1Low72.2Confident40 Ų4078.8 Ų78.828%0.2838%0.382SS..  trans-95.297.7-170.6-174.50000114T264 Q268 K269 H270T264-S266 PolarHBondContact O-N 3.5Å; S266-Q268 VanDerWaalsContact C-N 3.29Å; S266-Q268 PolarHBondContact O-N 2.93Å; S266-K269 PolarHBondContact O-N 3.29Å; S266-K269 VanDerWaalsContact O-N 3.12Å; S266-H270 PolarHBondContact O-CD2 2.91Å; S266-H270 PolarHBondContact O-N 3.3Å
267Q62.3Low72.4Confident124 Ų12475.3 Ų75.358%0.57937%0.373SS*.Hα-helixtrans-57.9-31.5-178.1-67.1-66.3-21.800115R265 H270 K271R265-Q267 PolarHBondContact O-N 3.4Å; Q267-H270 PolarHBondContact O-N 3.14Å; Q267-K271 PolarHBondContact O-N 2.89Å
268Q61Low72.8Confident166 Ų16676.4 Ų76.478%0.77638%0.382SS*.Hα-helixtrans-71.1-35.9177.2-76.4-175.9-12.200112.6S266 H270 K271 A272S266-Q268 VanDerWaalsContact C-N 3.29Å; S266-Q268 PolarHBondContact O-N 2.93Å; Q268-H270 VanDerWaalsContact C-N 3.33Å; Q268-K271 PolarHBondContact O-N 2.66Å; Q268-A272 PolarHBondContact O-N 3.18Å
269K67.1Low73.3Confident77 Ų7774.8 Ų74.834%0.33537%0.372SS..Hα-helixtrans-65.8-38.7175.3-65.4-176.4-178-176.80110.9L261 S266 K271 M273L261-K269 HydrophobicContact CD1-CB 3.6Å; S266-K269 PolarHBondContact O-N 3.29Å; S266-K269 VanDerWaalsContact O-N 3.12Å; K269-K271 PolarHBondContact O-N 3Å; K269-M273 WeakPolarHBondContact O-CB 3.42Å; K269-M273 PolarHBondContact O-N 3.41Å; K269-M273 VanDerWaalsContact O-N 3.09Å
270H67.8Low73.5Confident55 Ų5570.8 Ų70.826%0.25535%0.348SS..Hα-helixtrans-59.8-44175.9-72-70.5000112.9L261 T264 S266 Q267 Q268 R274L261-H270 VanDerWaalsContact CG-CE1 3.41Å; L261-H270 WeakPolarHBondContact CG-CE1 3.5Å; L261-H270 WeakPolarHBondContact CG-ND1 3.24Å; L261-H270 PolarHBondContact O-CE1 2.62Å; L261-H270 PolarHBondContact O-NE2 2.88Å; T264-H270 PolarHBondContact O-NE2 3.5Å; T264-H270 VanDerWaalsContact O-NE2 3.16Å; S266-H270 PolarHBondContact O-CD2 2.91Å; S266-H270 PolarHBondContact O-N 3.3Å; Q267-H270 PolarHBondContact O-N 3.14Å; Q268-H270 VanDerWaalsContact C-N 3.33Å; H270-R274 PolarHBondContact O-N 3.31Å; H270-R274 VanDerWaalsContact O-N 3.07Å
271K67.8Low74.2Confident75 Ų7574.1 Ų74.133%0.32636%0.364SS..Hα-helixtrans-64.9-45.9179.9-75.1-174.7174.3-168.70113.5Q267 Q268 K269 R274 E342Q267-K271 PolarHBondContact O-N 2.89Å; Q268-K271 PolarHBondContact O-N 2.66Å; K269-K271 PolarHBondContact O-N 3Å; K271-R274 PolarHBondContact O-N 3.44Å; K271-E342 IonicContact NZ-OE2 2.77Å; K271-E342 PolarHBondContact NZ-OE2 2.88Å
272A66.3Low75Confident54 Ų5474.1 Ų74.145%0.44637%0.366SS..Hα-helixtrans-67.8-38179.900000111.7Q268 R274 V275Q268-A272 PolarHBondContact O-N 3.18Å; A272-R274 VanDerWaalsContact C-N 3.35Å; A272-R274 PolarHBondContact O-N 3.1Å; A272-V275 PolarHBondContact O-N 3.42Å
273M75.8Confident75.6Confident6 Ų666.3 Ų66.33%0.0333%0.331CS..Hα-helixtrans-64.4-38.5176.8-166.668.1-178.500112.5I161 Y254 T257 V258 L261 K269 V275 I276 L277I161-M273 HydrophobicContact CD1-SD 4.22Å; Y254-M273 HydrophobicContact CD1-CE 3.27Å; Y254-M273 HydrophobicContact CE1-CE 3.53Å; Y254-M273 HydrophobicContact CE1-SD 4.49Å; T257-M273 HydrophobicContact CG2-CE 3.4Å; T257-M273 HydrophobicContact CG2-SD 3.74Å; V258-M273 HydrophobicContact CG2-CE 4.12Å; L261-M273 HydrophobicContact CD2-CB 3.56Å; L261-M273 HydrophobicContact CD2-CG 3.56Å; K269-M273 WeakPolarHBondContact O-CB 3.42Å; K269-M273 PolarHBondContact O-N 3.41Å; K269-M273 VanDerWaalsContact O-N 3.09Å; M273-V275 VanDerWaalsContact C-N 3.27Å; M273-V275 PolarHBondContact O-N 3.42Å; M273-I276 PolarHBondContact O-N 3.41Å; M273-L277 WeakPolarHBondContact O-CB 3.48Å; M273-L277 PolarHBondContact O-N 3.36Å
274R79.5Confident76.3Confident146 Ų14663.6 Ų63.655%0.55131%0.308SS*.Hα-helixtrans-58.4-37.9-179.6-172.3177.767.1-176.93.2112.9H270 K271 A272 A278 I340H270-R274 PolarHBondContact O-N 3.31Å; H270-R274 VanDerWaalsContact O-N 3.07Å; K271-R274 PolarHBondContact O-N 3.44Å; A272-R274 VanDerWaalsContact C-N 3.35Å; A272-R274 PolarHBondContact O-N 3.1Å; R274-A278 VanDerWaalsContact O-CB 3.27Å; R274-A278 WeakPolarHBondContact O-CB 3.3Å; R274-A278 PolarHBondContact O-N 3.48Å; R274-A278 VanDerWaalsContact O-N 3.1Å; R274-I340 HydrophobicContact CG-CG2 4.12Å
275V78.7Confident77.3Confident22 Ų2265.5 Ų65.513%0.13331%0.312CS..Hα-helixtrans-66-50.6177.2179.60000110A272 M273 L277 A278 V279 Y337 I340A272-V275 PolarHBondContact O-N 3.42Å; M273-V275 VanDerWaalsContact C-N 3.27Å; M273-V275 PolarHBondContact O-N 3.42Å; V275-L277 PolarHBondContact O-N 3.31Å; V275-A278 WeakPolarHBondContact O-CB 3.46Å; V275-A278 PolarHBondContact O-N 3.26Å; V275-V279 WeakPolarHBondContact O-CG2 3.42Å; V275-V279 PolarHBondContact O-N 2.88Å; V275-Y337 HydrophobicContact CG1-CD1 3.89Å; V275-Y337 HydrophobicContact CG1-CE1 4.22Å; V275-I340 HydrophobicContact CB-CG2 4.39Å; V275-I340 HydrophobicContact CG2-CB 4.08Å; V275-I340 HydrophobicContact CG2-CG2 3.66Å
276I80.4Confident78.6Confident20 Ų2053.6 Ų53.610%0.10327%0.268CS..Hα-helixtrans-64.4-45.1-175.6-64.7173.9000110.9I153 R157 Y254 M273 A278 V279 V280I153-I276 HydrophobicContact CG2-CD1 4.09Å; I153-I276 HydrophobicContact CG2-CG1 4.41Å; I153-I276 HydrophobicContact CG2-CG2 3.7Å; R157-I276 HydrophobicContact CG-CD1 3.66Å; Y254-I276 HydrophobicContact CE1-CG2 3.81Å; Y254-I276 WeakPolarHBondContact OH-CG2 3.27Å; M273-I276 PolarHBondContact O-N 3.41Å; I276-A278 VanDerWaalsContact C-N 3.31Å; I276-A278 PolarHBondContact O-N 2.94Å; I276-V279 PolarHBondContact O-N 3.18Å; I276-V280 VanDerWaalsContact O-CG2 3.28Å; I276-V280 WeakPolarHBondContact O-CG2 3.48Å; I276-V280 PolarHBondContact O-N 3.1Å
277L83.9Confident79.7Confident61 Ų6152 Ų5232%0.31926%0.255SS..Hα-helixtrans-61.8-39.3175.9-175.6129.1000111.6V258 M273 V275 V280 L281V258-L277 HydrophobicContact CG2-CD1 3.78Å; M273-L277 WeakPolarHBondContact O-CB 3.48Å; M273-L277 PolarHBondContact O-N 3.36Å; V275-L277 PolarHBondContact O-N 3.31Å; L277-V280 PolarHBondContact O-N 2.88Å; L277-L281 HydrophobicContact CD2-CD1 3.56Å; L277-L281 HydrophobicContact CD2-CG 4.4Å; L277-L281 HydrophobicContact CG-CD1 4.12Å; L277-L281 HydrophobicContact CG-CG 4.45Å; L277-L281 WeakPolarHBondContact O-CB 3.31Å; L277-L281 VanDerWaalsContact O-CG 3.26Å; L277-L281 WeakPolarHBondContact O-CG 3.25Å; L277-L281 PolarHBondContact O-N 3.41Å
278A86.6Confident80.9Confident22 Ų2248.8 Ų48.818%0.18224%0.242CC..Hα-helixtrans-63.7-40.3175.300000112.4R274 V275 I276 A282 L336 I340R274-A278 VanDerWaalsContact O-CB 3.27Å; R274-A278 WeakPolarHBondContact O-CB 3.3Å; R274-A278 PolarHBondContact O-N 3.48Å; R274-A278 VanDerWaalsContact O-N 3.1Å; V275-A278 WeakPolarHBondContact O-CB 3.46Å; V275-A278 PolarHBondContact O-N 3.26Å; I276-A278 VanDerWaalsContact C-N 3.31Å; I276-A278 PolarHBondContact O-N 2.94Å; A278-A282 VanDerWaalsContact O-CB 3.29Å; A278-A282 WeakPolarHBondContact O-CB 3.49Å; A278-A282 PolarHBondContact O-N 3.36Å; A278-L336 HydrophobicContact CB-CD2 4.38Å; A278-I340 HydrophobicContact CB-CD1 3.55Å
279V86.9Confident82.3Confident4 Ų442.9 Ų42.92%0.02422%0.218CC..Hα-helixtrans-64.9-44.7176.3173.70000111L103 L150 V275 I276 A282 F283 L336 Y337L103-V279 HydrophobicContact CD2-CG1 4.4Å; L150-V279 HydrophobicContact CD2-CG1 3.71Å; V275-V279 WeakPolarHBondContact O-CG2 3.42Å; V275-V279 PolarHBondContact O-N 2.88Å; I276-V279 PolarHBondContact O-N 3.18Å; V279-A282 PolarHBondContact O-N 3.26Å; V279-F283 WeakPolarHBondContact O-CB 3.3Å; V279-F283 PolarHBondContact O-N 3.33Å; V279-L336 HydrophobicContact CG2-CB 4.33Å; V279-L336 HydrophobicContact CG2-CD1 4.04Å; V279-Y337 HydrophobicContact CG2-CD1 4.42Å; V279-Y337 HydrophobicContact CG2-CE1 3.61Å
280V86.8Confident83.4Confident7 Ų740.9 Ų40.94%0.04221%0.209CC..Hα-helixtrans-65-44.6179.5172.70000111.3L150 M250 Y254 I276 L277 A282 F283 I284L150-V280 HydrophobicContact CD2-CG2 4.31Å; M250-V280 HydrophobicContact SD-CG1 4.35Å; Y254-V280 HydrophobicContact CD2-CG1 3.98Å; Y254-V280 HydrophobicContact CD2-CG2 4.28Å; Y254-V280 HydrophobicContact CE2-CB 3.97Å; Y254-V280 HydrophobicContact CE2-CG1 3.75Å; Y254-V280 HydrophobicContact CE2-CG2 3.29Å; Y254-V280 WeakPolarHBondContact OH-CG2 3.37Å; I276-V280 VanDerWaalsContact O-CG2 3.28Å; I276-V280 WeakPolarHBondContact O-CG2 3.48Å; I276-V280 PolarHBondContact O-N 3.1Å; L277-V280 PolarHBondContact O-N 2.88Å; V280-A282 VanDerWaalsContact C-N 3.32Å; V280-A282 PolarHBondContact O-N 3.34Å; V280-F283 WeakPolarHBondContact O-CB 3.38Å; V280-F283 PolarHBondContact O-N 3.33Å; V280-I284 HydrophobicContact CG1-CD1 3.96Å; V280-I284 VanDerWaalsContact O-CG1 3.29Å; V280-I284 WeakPolarHBondContact O-CG1 3.45Å; V280-I284 PolarHBondContact O-N 2.88Å
281L88.4Confident84.4Confident102 Ų10238.7 Ų38.753%0.53420%0.199SC..Hα-helixtrans-63.8-39.1176.5-71.4175.4000111.9L277 I284 F285L277-L281 HydrophobicContact CD2-CD1 3.56Å; L277-L281 HydrophobicContact CD2-CG 4.4Å; L277-L281 HydrophobicContact CG-CD1 4.12Å; L277-L281 HydrophobicContact CG-CG 4.45Å; L277-L281 WeakPolarHBondContact O-CB 3.31Å; L277-L281 VanDerWaalsContact O-CG 3.26Å; L277-L281 WeakPolarHBondContact O-CG 3.25Å; L277-L281 PolarHBondContact O-N 3.41Å; L281-I284 PolarHBondContact O-N 3.43Å; L281-F285 VanDerWaalsContact O-CB 3.24Å; L281-F285 WeakPolarHBondContact O-CB 3.06Å; L281-F285 PolarHBondContact O-N 3.25Å
282A88.9Confident85.4Confident10 Ų1037.9 Ų37.98%0.08320%0.2CC..Hα-helixtrans-64.7-41.7174.400000111.8A278 V279 V280 F285 C286 V332 L336A278-A282 VanDerWaalsContact O-CB 3.29Å; A278-A282 WeakPolarHBondContact O-CB 3.49Å; A278-A282 PolarHBondContact O-N 3.36Å; V279-A282 PolarHBondContact O-N 3.26Å; V280-A282 VanDerWaalsContact C-N 3.32Å; V280-A282 PolarHBondContact O-N 3.34Å; A282-F285 PolarHBondContact O-N 3.02Å; A282-C286 WeakPolarHBondContact O-CB 3.3Å; A282-C286 PolarHBondContact O-N 3.29Å; A282-C286 PolarHBondContact O-SG 2.98Å; A282-C286 VanDerWaalsContact O-SG 3.38Å; A282-V332 HydrophobicContact CB-CG1 3.86Å; A282-L336 HydrophobicContact CB-CD1 3.67Å
283F87.5Confident86.4Confident1 Ų136 Ų360%0.00418%0.183CC..Hα-helixtrans-58.6-50.5174.9-177.4-87.4000111.6V147 L150 F243 V279 V280 F285 C286 W287 H329V147-F283 HydrophobicContact CB-CE1 4.49Å; V147-F283 HydrophobicContact CB-CZ 4.22Å; V147-F283 HydrophobicContact CG2-CE1 3.63Å; V147-F283 HydrophobicContact CG2-CE2 4.13Å; V147-F283 HydrophobicContact CG2-CZ 3.18Å; L150-F283 HydrophobicContact CD1-CB 3.57Å; L150-F283 HydrophobicContact CD1-CD1 3.93Å; L150-F283 HydrophobicContact CD1-CD2 3.42Å; L150-F283 VanDerWaalsContact CD1-CD2 3.42Å; L150-F283 HydrophobicContact CD1-CE2 4.2Å; L150-F283 HydrophobicContact CD1-CG 3.32Å; F243-F283 HydrophobicContact CD2-CE1 4.25Å; F243-F283 AromaticContact CE2-CE1 3.54Å; F243-F283 HydrophobicContact CE2-CE1 3.54Å; F243-F283 HydrophobicContact CE2-CZ 4.03Å; F243-F283 HydrophobicContact CZ-CE1 4.39Å; V279-F283 WeakPolarHBondContact O-CB 3.3Å; V279-F283 PolarHBondContact O-N 3.33Å; V280-F283 WeakPolarHBondContact O-CB 3.38Å; V280-F283 PolarHBondContact O-N 3.33Å; F283-F285 VanDerWaalsContact C-N 3.33Å; F283-F285 PolarHBondContact O-N 3.45Å; F283-C286 PolarHBondContact O-N 3.45Å; F283-W287 AromaticContact CD2-CD1 3.49Å; F283-W287 VanDerWaalsContact CD2-CD1 3.49Å; F283-W287 HydrophobicContact CD2-CG 4.5Å; F283-W287 AromaticContact CD2-NE1 3.91Å; F283-W287 HydrophobicContact CE1-CB 4.12Å; F283-W287 HydrophobicContact CE1-CG 4.23Å; F283-W287 AromaticContact CE2-CD1 3.16Å; F283-W287 AromaticContact CE2-CG 3.93Å; F283-W287 HydrophobicContact CE2-CG 3.93Å; F283-W287 AromaticContact CE2-NE1 3.44Å; F283-W287 AromaticContact CG-CD1 3.98Å; F283-W287 HydrophobicContact CZ-CB 4.05Å; F283-W287 AromaticContact CZ-CD1 3.39Å; F283-W287 HydrophobicContact CZ-CD2 4.46Å; F283-W287 AromaticContact CZ-CG 3.7Å; F283-W287 HydrophobicContact CZ-CG 3.7Å; F283-W287 AromaticContact CZ-NE1 3.99Å; F283-W287 WeakPolarHBondContact O-CB 3.49Å; F283-W287 PolarHBondContact O-N 3.29Å; F283-H329 AromaticContact CD2-CD2 3.72Å; F283-H329 AromaticContact CD2-CE1 3.96Å; F283-H329 AromaticContact CD2-NE2 3.37Å; F283-H329 WeakPolarHBondContact CD2-NE2 3.33Å
284I88.3Confident86.8Confident44 Ų4436.6 Ų36.623%0.22619%0.187CC..Hα-helixtrans-59.7-46.9178.1-65.5170.1000110.2L247 V280 L281 C286 W287 L288L247-I284 HydrophobicContact CD1-CD1 3.54Å; L247-I284 HydrophobicContact CD1-CG1 3.52Å; V280-I284 HydrophobicContact CG1-CD1 3.96Å; V280-I284 VanDerWaalsContact O-CG1 3.29Å; V280-I284 WeakPolarHBondContact O-CG1 3.45Å; V280-I284 PolarHBondContact O-N 2.88Å; L281-I284 PolarHBondContact O-N 3.43Å; I284-C286 VanDerWaalsContact C-N 3.3Å; I284-C286 PolarHBondContact O-N 3.09Å; I284-W287 PolarHBondContact O-N 3.08Å; I284-L288 HydrophobicContact CG2-CB 4.12Å; I284-L288 HydrophobicContact CG2-CD2 4.01Å; I284-L288 WeakPolarHBondContact O-CB 3.3Å; I284-L288 PolarHBondContact O-N 3.2Å
285F88.7Confident87.1Confident88 Ų8831.6 Ų31.639%0.38617%0.171SC..Hα-helixtrans-60.3-40.7-180-172.8-88.3000112.5L4 M8 L281 A282 F283 P289 I325L4-F285 HydrophobicContact CD2-CD1 3.22Å; L4-F285 HydrophobicContact CD2-CE1 3.48Å; L4-F285 VanDerWaalsContact CD2-CE1 3.48Å; L4-F285 HydrophobicContact CD2-CG 4.22Å; M8-F285 HydrophobicContact CE-CE1 3.81Å; M8-F285 HydrophobicContact CE-CE2 4.46Å; M8-F285 HydrophobicContact CE-CZ 3.43Å; M8-F285 VanDerWaalsContact CE-CZ 3.43Å; M8-F285 HydrophobicContact SD-CE1 3.5Å; M8-F285 VanDerWaalsContact SD-CE1 3.5Å; M8-F285 HydrophobicContact SD-CZ 3.31Å; M8-F285 WeakPolarHBondContact SD-CZ 3.29Å; L281-F285 VanDerWaalsContact O-CB 3.24Å; L281-F285 WeakPolarHBondContact O-CB 3.06Å; L281-F285 PolarHBondContact O-N 3.25Å; A282-F285 PolarHBondContact O-N 3.02Å; F283-F285 VanDerWaalsContact C-N 3.33Å; F283-F285 PolarHBondContact O-N 3.45Å; F285-P289 VanDerWaalsContact O-CD 3.23Å; F285-P289 WeakPolarHBondContact O-CD 3.41Å; F285-P289 WeakPolarHBondContact O-CG 3.39Å; F285-I325 HydrophobicContact CE1-CG2 4.48Å
286C90.7Very high87.4Confident1 Ų133.6 Ų33.61%0.00718%0.18CC..Hα-helixtrans-72.9-45179.4-74.80000112.4A282 F283 I284 I325 A326 H329A282-C286 WeakPolarHBondContact O-CB 3.3Å; A282-C286 PolarHBondContact O-N 3.29Å; A282-C286 PolarHBondContact O-SG 2.98Å; A282-C286 VanDerWaalsContact O-SG 3.38Å; F283-C286 PolarHBondContact O-N 3.45Å; I284-C286 VanDerWaalsContact C-N 3.3Å; I284-C286 PolarHBondContact O-N 3.09Å; C286-I325 WeakPolarHBondContact CB-O 3.36Å; C286-I325 PolarHBondContact SG-O 3.04Å; C286-A326 WeakPolarHBondContact O-CA 3.49Å; C286-A326 WeakPolarHBondContact O-CB 3.42Å; C286-A326 PolarHBondContact O-N 2.62Å; C286-H329 HydrophobicContact CB-CB 3.79Å
287W90.1Very high87.5Confident6 Ų632.9 Ų32.92%0.02318%0.177CC..Hα-helixtrans-98.5-29.6-167.1-73.9100.8000115.2F110 V143 F243 F283 I284 Y290 N291 A326 H329F110-W287 AromaticContact CE2-CH2 3.67Å; F110-W287 HydrophobicContact CE2-CH2 3.67Å; F110-W287 AromaticContact CE2-CZ2 3.95Å; F110-W287 HydrophobicContact CE2-CZ2 3.95Å; F110-W287 AromaticContact CZ-CH2 3.91Å; F110-W287 HydrophobicContact CZ-CH2 3.91Å; F110-W287 HydrophobicContact CZ-CZ2 4.07Å; V143-W287 HydrophobicContact CB-CH2 4.34Å; V143-W287 HydrophobicContact CB-CZ3 4.49Å; V143-W287 HydrophobicContact CG1-CD2 4.21Å; V143-W287 HydrophobicContact CG1-CE3 3.99Å; V143-W287 HydrophobicContact CG1-CH2 4.21Å; V143-W287 HydrophobicContact CG1-CZ2 4.38Å; V143-W287 HydrophobicContact CG1-CZ3 3.98Å; V143-W287 HydrophobicContact CG2-CE3 4.39Å; V143-W287 HydrophobicContact CG2-CH2 3.16Å; V143-W287 HydrophobicContact CG2-CZ2 3.53Å; V143-W287 HydrophobicContact CG2-CZ3 3.63Å; F243-W287 HydrophobicContact CD2-CB 4.48Å; F243-W287 HydrophobicContact CE2-CB 3.44Å; F243-W287 VanDerWaalsContact CE2-CB 3.44Å; F243-W287 HydrophobicContact CE2-CG 4.41Å; F243-W287 HydrophobicContact CZ-CB 3.84Å; F283-W287 AromaticContact CD2-CD1 3.49Å; F283-W287 VanDerWaalsContact CD2-CD1 3.49Å; F283-W287 HydrophobicContact CD2-CG 4.5Å; F283-W287 AromaticContact CD2-NE1 3.91Å; F283-W287 HydrophobicContact CE1-CB 4.12Å; F283-W287 HydrophobicContact CE1-CG 4.23Å; F283-W287 AromaticContact CE2-CD1 3.16Å; F283-W287 AromaticContact CE2-CG 3.93Å; F283-W287 HydrophobicContact CE2-CG 3.93Å; F283-W287 AromaticContact CE2-NE1 3.44Å; F283-W287 AromaticContact CG-CD1 3.98Å; F283-W287 HydrophobicContact CZ-CB 4.05Å; F283-W287 AromaticContact CZ-CD1 3.39Å; F283-W287 HydrophobicContact CZ-CD2 4.46Å; F283-W287 AromaticContact CZ-CG 3.7Å; F283-W287 HydrophobicContact CZ-CG 3.7Å; F283-W287 AromaticContact CZ-NE1 3.99Å; F283-W287 WeakPolarHBondContact O-CB 3.49Å; F283-W287 PolarHBondContact O-N 3.29Å; I284-W287 PolarHBondContact O-N 3.08Å; W287-Y290 HydrophobicContact CE3-CD1 4.27Å; W287-Y290 HydrophobicContact CZ3-CD1 4.15Å; W287-Y290 HydrophobicContact CZ3-CE1 4.5Å; W287-Y290 PolarHBondContact O-N 3.12Å; W287-N291 PolarHBondContact O-N 3.14Å; W287-N291 PolarHBondContact O-ND2 3.35Å; W287-A326 HydrophobicContact CD2-CB 4.04Å; W287-A326 HydrophobicContact CE3-CB 3.73Å; W287-A326 HydrophobicContact CH2-CB 4.05Å; W287-A326 HydrophobicContact CZ2-CB 4.39Å; W287-A326 HydrophobicContact CZ3-CB 3.75Å; W287-H329 AromaticContact CD1-CG 3.92Å; W287-H329 AromaticContact NE1-CD2 3.81Å; W287-H329 AromaticContact NE1-CG 3.22Å; W287-H329 AromaticContact NE1-ND1 3.42Å; W287-H329 PolarHBondContact NE1-ND1 3.01Å
288L88.7Confident87.3Confident57 Ų5730 Ų3030%0.29816%0.162SC..Hα-helixtrans-59.7-45.8-178.5-179.666.7000112.1F243 F244 L247 I284 Y290 N291 V292F243-L288 HydrophobicContact CE1-CB 4.35Å; F243-L288 HydrophobicContact CE1-CD1 3.83Å; F243-L288 HydrophobicContact CZ-CB 4.21Å; F244-L288 HydrophobicContact CE1-CD1 4.22Å; L247-L288 HydrophobicContact CD2-CD1 4.13Å; I284-L288 HydrophobicContact CG2-CB 4.12Å; I284-L288 HydrophobicContact CG2-CD2 4.01Å; I284-L288 WeakPolarHBondContact O-CB 3.3Å; I284-L288 PolarHBondContact O-N 3.2Å; L288-Y290 VanDerWaalsContact C-N 3.3Å; L288-Y290 PolarHBondContact O-N 2.97Å; L288-N291 PolarHBondContact O-N 3.46Å; L288-V292 HydrophobicContact CD1-CG2 3.86Å; L288-V292 HydrophobicContact CG-CG2 4.23Å; L288-V292 WeakPolarHBondContact O-CB 3.07Å; L288-V292 VanDerWaalsContact O-CG2 3.25Å; L288-V292 WeakPolarHBondContact O-CG2 3.47Å; L288-V292 PolarHBondContact O-N 2.88Å
289P89.3Confident87.1Confident43 Ų4331.7 Ų31.728%0.27917%0.168SC..Hα-helixtrans-59.5-41179.9-2435.5000112.8F285 T293 T322F285-P289 VanDerWaalsContact O-CD 3.23Å; F285-P289 WeakPolarHBondContact O-CD 3.41Å; F285-P289 WeakPolarHBondContact O-CG 3.39Å; P289-T293 WeakPolarHBondContact O-CB 3.12Å; P289-T293 PolarHBondContact O-N 2.88Å; P289-T293 PolarHBondContact O-OG1 3.39Å; P289-T322 HydrophobicContact CB-CG2 3.56Å
290Y89.5Confident86.7Confident35 Ų3533.7 Ų33.714%0.13718%0.175CC..Hα-helixtrans-67.6-49.4179.3178.8-109.2000111.8W287 L288 V292 T293 V294 K323 A326W287-Y290 HydrophobicContact CE3-CD1 4.27Å; W287-Y290 HydrophobicContact CZ3-CD1 4.15Å; W287-Y290 HydrophobicContact CZ3-CE1 4.5Å; W287-Y290 PolarHBondContact O-N 3.12Å; L288-Y290 VanDerWaalsContact C-N 3.3Å; L288-Y290 PolarHBondContact O-N 2.97Å; Y290-V292 VanDerWaalsContact C-N 3.29Å; Y290-V292 PolarHBondContact O-N 3.16Å; Y290-T293 PolarHBondContact O-N 3.39Å; Y290-T293 VanDerWaalsContact O-N 3.14Å; Y290-V294 HydrophobicContact CD1-CG2 4.31Å; Y290-V294 HydrophobicContact CD2-CG2 4.14Å; Y290-V294 HydrophobicContact CE1-CG2 3.93Å; Y290-V294 HydrophobicContact CE2-CG2 3.73Å; Y290-V294 HydrophobicContact CG-CG2 4.42Å; Y290-V294 WeakPolarHBondContact O-CG2 3.35Å; Y290-V294 PolarHBondContact O-N 2.91Å; Y290-K323 HydrophobicContact CD2-CB 3.85Å; Y290-K323 HydrophobicContact CE2-CB 3.72Å; Y290-K323 HydrophobicContact CE2-CG 4.08Å; Y290-A326 HydrophobicContact CD1-CB 4.43Å; Y290-A326 HydrophobicContact CG-CB 4.18Å
291N89.6Confident86Confident9 Ų937.1 Ų37.15%0.04819%0.187CC..Hα-helixtrans-63.3-34.9-179.7-78.2-89.6000112.4H239 F243 F244 W287 L288 L295H239-N291 PolarHBondContact CD2-OD1 2.93Å; F243-N291 HydrophobicContact CD1-CB 3.87Å; F243-N291 HydrophobicContact CE1-CB 4.05Å; F243-N291 HydrophobicContact CG-CB 4.21Å; F244-N291 HydrophobicContact CZ-CB 4.5Å; W287-N291 PolarHBondContact O-N 3.14Å; W287-N291 PolarHBondContact O-ND2 3.35Å; L288-N291 PolarHBondContact O-N 3.46Å; N291-L295 WeakPolarHBondContact O-CB 3.27Å; N291-L295 PolarHBondContact O-N 3.4Å
292V88.8Confident85.2Confident57 Ų5733.3 Ų33.335%0.34517%0.172SC..Hα-helixtrans-66.8-46.2173.5170.20000110.7F244 L288 Y290 V294 L295 I296F244-V292 HydrophobicContact CE1-CG2 4.44Å; F244-V292 HydrophobicContact CZ-CG2 4.34Å; L288-V292 HydrophobicContact CD1-CG2 3.86Å; L288-V292 HydrophobicContact CG-CG2 4.23Å; L288-V292 WeakPolarHBondContact O-CB 3.07Å; L288-V292 VanDerWaalsContact O-CG2 3.25Å; L288-V292 WeakPolarHBondContact O-CG2 3.47Å; L288-V292 PolarHBondContact O-N 2.88Å; Y290-V292 VanDerWaalsContact C-N 3.29Å; Y290-V292 PolarHBondContact O-N 3.16Å; V292-V294 PolarHBondContact O-N 2.99Å; V292-L295 WeakPolarHBondContact O-CB 3.36Å; V292-L295 PolarHBondContact O-N 3.44Å; V292-I296 HydrophobicContact CG1-CD1 3.82Å; V292-I296 VanDerWaalsContact O-CG1 3.28Å; V292-I296 WeakPolarHBondContact O-CG1 3.29Å; V292-I296 PolarHBondContact O-N 3.39Å
293T86.6Confident84.2Confident16 Ų1636 Ų3610%0.09820%0.201CC..Hα-helixtrans-65.3-40.3180-46.90000112P289 Y290 L295 I296 D297 V315 M318 L319P289-T293 WeakPolarHBondContact O-CB 3.12Å; P289-T293 PolarHBondContact O-N 2.88Å; P289-T293 PolarHBondContact O-OG1 3.39Å; Y290-T293 PolarHBondContact O-N 3.39Å; Y290-T293 VanDerWaalsContact O-N 3.14Å; T293-L295 VanDerWaalsContact C-N 3.34Å; T293-L295 PolarHBondContact O-N 2.9Å; T293-I296 PolarHBondContact O-N 2.96Å; T293-D297 PolarHBondContact O-N 3.4Å; T293-V315 HydrophobicContact CG2-CG1 4.45Å; T293-M318 HydrophobicContact CG2-CB 3.82Å; T293-L319 HydrophobicContact CG2-CB 4.41Å; T293-L319 HydrophobicContact CG2-CD2 3.59Å; T293-L319 HydrophobicContact CG2-CG 3.64Å
294V85Confident83.3Confident17 Ų1739.9 Ų39.910%0.10323%0.228CC..Hα-helixtrans-64-38.9174.8173.20000111.7H239 Y290 V292 I296 D297 T298 L319H239-V294 VanDerWaalsContact NE2-CG1 3.35Å; H239-V294 WeakPolarHBondContact NE2-CG1 3.44Å; Y290-V294 HydrophobicContact CD1-CG2 4.31Å; Y290-V294 HydrophobicContact CD2-CG2 4.14Å; Y290-V294 HydrophobicContact CE1-CG2 3.93Å; Y290-V294 HydrophobicContact CE2-CG2 3.73Å; Y290-V294 HydrophobicContact CG-CG2 4.42Å; Y290-V294 WeakPolarHBondContact O-CG2 3.35Å; Y290-V294 PolarHBondContact O-N 2.91Å; V292-V294 PolarHBondContact O-N 2.99Å; V294-I296 VanDerWaalsContact C-N 3.33Å; V294-D297 PolarHBondContact O-N 3.49Å; V294-T298 VanDerWaalsContact O-CB 3.31Å; V294-T298 WeakPolarHBondContact O-CB 3.2Å; V294-T298 PolarHBondContact O-N 3.46Å; V294-T298 PolarHBondContact O-OG1 2.97Å; V294-L319 HydrophobicContact CB-CD2 4.43Å; V294-L319 HydrophobicContact CG2-CD2 3.67Å
295L85.6Confident82.5Confident42 Ų4241.7 Ų41.722%0.2224%0.238CC..Hα-helixtrans-62.9-42.8174.5-178.464.1000111V236 F244 N291 V292 T293 T298 L299V236-L295 HydrophobicContact CB-CD1 4.45Å; V236-L295 HydrophobicContact CG1-CD1 4.14Å; V236-L295 HydrophobicContact CG2-CD1 3.93Å; F244-L295 HydrophobicContact CE2-CD2 4.28Å; F244-L295 HydrophobicContact CZ-CD2 4.27Å; N291-L295 WeakPolarHBondContact O-CB 3.27Å; N291-L295 PolarHBondContact O-N 3.4Å; V292-L295 WeakPolarHBondContact O-CB 3.36Å; V292-L295 PolarHBondContact O-N 3.44Å; T293-L295 VanDerWaalsContact C-N 3.34Å; T293-L295 PolarHBondContact O-N 2.9Å; L295-T298 WeakPolarHBondContact O-CB 3.45Å; L295-T298 PolarHBondContact O-N 3.14Å; L295-L299 HydrophobicContact CG-CD1 4.34Å; L295-L299 VanDerWaalsContact O-CG 3.31Å; L295-L299 WeakPolarHBondContact O-CG 3.33Å; L295-L299 PolarHBondContact O-N 2.73Å
296I84.5Confident81.8Confident64 Ų6446.7 Ų46.733%0.32826%0.26SS..Hα-helixtrans-62.7-49.5176.8-68.9166.7000111V292 T293 V294 T298 L299 Y300 V315V292-I296 HydrophobicContact CG1-CD1 3.82Å; V292-I296 VanDerWaalsContact O-CG1 3.28Å; V292-I296 WeakPolarHBondContact O-CG1 3.29Å; V292-I296 PolarHBondContact O-N 3.39Å; T293-I296 PolarHBondContact O-N 2.96Å; V294-I296 VanDerWaalsContact C-N 3.33Å; I296-T298 VanDerWaalsContact C-N 3.25Å; I296-T298 PolarHBondContact O-N 3.44Å; I296-L299 PolarHBondContact O-N 3.1Å; I296-L299 VanDerWaalsContact O-N 3.1Å; I296-Y300 HydrophobicContact CG2-CD2 3.67Å; I296-Y300 HydrophobicContact CG2-CE2 3.42Å; I296-Y300 VanDerWaalsContact CG2-CE2 3.42Å; I296-Y300 VanDerWaalsContact O-CD2 3.27Å; I296-Y300 WeakPolarHBondContact O-CD2 3.44Å; I296-Y300 PolarHBondContact O-N 3.45Å; I296-V315 HydrophobicContact CG2-CG2 4.24Å
297D82.8Confident80.8Confident5 Ų550.7 Ų50.73%0.02728%0.278CS..Hα-helixtrans-56.1-41.4175.4172.783000111.5T293 V294 L299 Y300 R301 R312 V315 L319T293-D297 PolarHBondContact O-N 3.4Å; V294-D297 PolarHBondContact O-N 3.49Å; D297-L299 VanDerWaalsContact C-N 3.35Å; D297-L299 PolarHBondContact O-N 3.46Å; D297-Y300 PolarHBondContact O-N 2.85Å; D297-R301 VanDerWaalsContact CG-NE 3.27Å; D297-R301 WeakPolarHBondContact O-CB 3.46Å; D297-R301 WeakPolarHBondContact O-CG 3.4Å; D297-R301 PolarHBondContact O-N 3.49Å; D297-R301 IonicContact OD1-CZ 3.24Å; D297-R301 IonicContact OD1-NE 2.66Å; D297-R301 PolarHBondContact OD1-NE 2.92Å; D297-R301 IonicContact OD1-NH2 3.62Å; D297-R301 PolarHBondContact OD1-NH2 2.98Å; D297-R301 WeakPolarHBondContact OD2-CD 3.24Å; D297-R301 IonicContact OD2-CZ 2.95Å; D297-R301 IonicContact OD2-NE 3.58Å; D297-R301 PolarHBondContact OD2-NE 3.36Å; D297-R301 IonicContact OD2-NH2 3.51Å; D297-R312 IonicContact OD1-CZ 3.08Å; D297-R312 IonicContact OD1-NH1 3.45Å; D297-R312 PolarHBondContact OD1-NH1 3.45Å; D297-V315 HydrophobicContact CB-CG1 3.84Å; D297-L319 HydrophobicContact CB-CD1 4Å
298T80.4Confident80.3Confident1 Ų153.4 Ų53.41%0.00630%0.296CS..Hα-helixtrans-64.1-37.5177.4-600000112.6V232 R235 V236 V294 L295 I296 G302V232-T298 HydrophobicContact CG1-CG2 3.96Å; R235-T298 HydrophobicContact CB-CG2 4.21Å; R235-T298 WeakPolarHBondContact CD-OG1 3.35Å; R235-T298 HydrophobicContact CG-CG2 4.11Å; V236-T298 HydrophobicContact CG2-CG2 3.95Å; V294-T298 VanDerWaalsContact O-CB 3.31Å; V294-T298 WeakPolarHBondContact O-CB 3.2Å; V294-T298 PolarHBondContact O-N 3.46Å; V294-T298 PolarHBondContact O-OG1 2.97Å; L295-T298 WeakPolarHBondContact O-CB 3.45Å; L295-T298 PolarHBondContact O-N 3.14Å; I296-T298 VanDerWaalsContact C-N 3.25Å; I296-T298 PolarHBondContact O-N 3.44Å; T298-G302 PolarHBondContact O-N 3Å
299L81.1Confident79.7Confident57 Ų5753.6 Ų53.630%0.29830%0.301SS..Hα-helixtrans-72.8-36.9178.8-70.4169.5000112.5L295 I296 D297 S304 L305L295-L299 HydrophobicContact CG-CD1 4.34Å; L295-L299 VanDerWaalsContact O-CG 3.31Å; L295-L299 WeakPolarHBondContact O-CG 3.33Å; L295-L299 PolarHBondContact O-N 2.73Å; I296-L299 PolarHBondContact O-N 3.1Å; I296-L299 VanDerWaalsContact O-N 3.1Å; D297-L299 VanDerWaalsContact C-N 3.35Å; D297-L299 PolarHBondContact O-N 3.46Å; L299-S304 WeakPolarHBondContact O-CB 3.34Å; L299-S304 PolarHBondContact O-N 2.64Å; L299-S304 VanDerWaalsContact O-N 3.14Å; L299-L305 HydrophobicContact CB-CD1 4.01Å; L299-L305 HydrophobicContact CB-CG 4.48Å
300Y79.1Confident79Confident46 Ų4655.8 Ų55.818%0.1831%0.31CS..Hα-helixtrans-64.9-53.1172.6-79.7-67.8000111.1I296 D297 G302 G303 L305 K306 E307 I311 V315I296-Y300 HydrophobicContact CG2-CD2 3.67Å; I296-Y300 HydrophobicContact CG2-CE2 3.42Å; I296-Y300 VanDerWaalsContact CG2-CE2 3.42Å; I296-Y300 VanDerWaalsContact O-CD2 3.27Å; I296-Y300 WeakPolarHBondContact O-CD2 3.44Å; I296-Y300 PolarHBondContact O-N 3.45Å; D297-Y300 PolarHBondContact O-N 2.85Å; Y300-G302 PolarHBondContact O-N 3.46Å; Y300-G303 PolarHBondContact O-N 2.94Å; Y300-L305 HydrophobicContact CD1-CB 3.51Å; Y300-L305 HydrophobicContact CD1-CD1 4.28Å; Y300-L305 HydrophobicContact CD2-CD1 4.33Å; Y300-L305 HydrophobicContact CE1-CB 3.47Å; Y300-L305 VanDerWaalsContact CE1-CB 3.47Å; Y300-L305 HydrophobicContact CE1-CD1 4.02Å; Y300-L305 HydrophobicContact CE1-CG 4.39Å; Y300-L305 HydrophobicContact CE2-CD1 4.09Å; Y300-L305 HydrophobicContact CG-CB 4.26Å; Y300-L305 HydrophobicContact CG-CD1 4.41Å; Y300-K306 WeakPolarHBondContact CE1-O 2.76Å; Y300-E307 HydrophobicContact CD1-CB 4.34Å; Y300-I311 HydrophobicContact CD1-CG2 4.48Å; Y300-I311 HydrophobicContact CE1-CG2 3.81Å; Y300-I311 HydrophobicContact CE2-CG2 3.81Å; Y300-I311 VanDerWaalsContact CZ-CG2 3.44Å; Y300-I311 WeakPolarHBondContact OH-CG2 3.34Å; Y300-V315 HydrophobicContact CD2-CG2 4.36Å; Y300-V315 HydrophobicContact CE2-CG2 4.21Å
301R72.9Confident78.5Confident79 Ų7956.6 Ų56.630%0.29832%0.316SS..Hα-helixtrans-61.1-28.8177.9-69.1177.9-170.7-99.62.4113.4Y219 D297 G303 R312Y219-R301 PolarHBondContact OH-NH2 3.27Å; D297-R301 VanDerWaalsContact CG-NE 3.27Å; D297-R301 WeakPolarHBondContact O-CB 3.46Å; D297-R301 WeakPolarHBondContact O-CG 3.4Å; D297-R301 PolarHBondContact O-N 3.49Å; D297-R301 IonicContact OD1-CZ 3.24Å; D297-R301 IonicContact OD1-NE 2.66Å; D297-R301 PolarHBondContact OD1-NE 2.92Å; D297-R301 IonicContact OD1-NH2 3.62Å; D297-R301 PolarHBondContact OD1-NH2 2.98Å; D297-R301 WeakPolarHBondContact OD2-CD 3.24Å; D297-R301 IonicContact OD2-CZ 2.95Å; D297-R301 IonicContact OD2-NE 3.58Å; D297-R301 PolarHBondContact OD2-NE 3.36Å; D297-R301 IonicContact OD2-NH2 3.51Å; R301-G303 PolarHBondContact O-N 3.35Å; R301-R312 VanDerWaalsContact NH2-NH1 3.2Å
302G70.9Confident77.9Confident21 Ų2157.9 Ų57.922%0.21632%0.32CS..THydrogen-bonded Turntrans-79.58.3176.100000114.9T298 Y300 S304T298-G302 PolarHBondContact O-N 3Å; Y300-G302 PolarHBondContact O-N 3.46Å; G302-S304 PolarHBondContact O-N 3.42Å; G302-S304 VanDerWaalsContact O-N 3.12Å
303G68.9Low77.4Confident67 Ų6758.4 Ų58.469%0.69132%0.317SS*.THydrogen-bonded Turntrans66.611.7178.700000114.5Y300 R301 L305Y300-G303 PolarHBondContact O-N 2.94Å; R301-G303 PolarHBondContact O-N 3.35Å; G303-L305 VanDerWaalsContact C-N 3.33Å
304S67.8Low76.9Confident83 Ų8364.9 Ų64.958%0.5834%0.339SS*.SBendtrans-80.4-17.9-179.5-62.50000112.6L299 G302L299-S304 WeakPolarHBondContact O-CB 3.34Å; L299-S304 PolarHBondContact O-N 2.64Å; L299-S304 VanDerWaalsContact O-N 3.14Å; G302-S304 PolarHBondContact O-N 3.42Å; G302-S304 VanDerWaalsContact O-N 3.12Å
305L71.8Confident76.6Confident81 Ų8164.9 Ų64.942%0.42434%0.339SS..SBendtrans-130.1146.2178.4-64.2173.7000109.6L299 Y300 G303 E307L299-L305 HydrophobicContact CB-CD1 4.01Å; L299-L305 HydrophobicContact CB-CG 4.48Å; Y300-L305 HydrophobicContact CD1-CB 3.51Å; Y300-L305 HydrophobicContact CD1-CD1 4.28Å; Y300-L305 HydrophobicContact CD2-CD1 4.33Å; Y300-L305 HydrophobicContact CE1-CB 3.47Å; Y300-L305 VanDerWaalsContact CE1-CB 3.47Å; Y300-L305 HydrophobicContact CE1-CD1 4.02Å; Y300-L305 HydrophobicContact CE1-CG 4.39Å; Y300-L305 HydrophobicContact CE2-CD1 4.09Å; Y300-L305 HydrophobicContact CG-CB 4.26Å; Y300-L305 HydrophobicContact CG-CD1 4.41Å; G303-L305 VanDerWaalsContact C-N 3.33Å; L305-E307 PolarHBondContact O-N 2.05Å
306K72.9Confident76.3Confident194 Ų19464.4 Ų64.484%0.84334%0.336SS*.  trans-68118.7174.2-77.3-171.6175.3-1720109.9Y300Y300-K306 WeakPolarHBondContact CE1-O 2.76Å
307E71.5Confident75.9Confident85 Ų8562.8 Ų62.840%0.39733%0.329SS..  trans-88.4137.4177.3-170.4168.1-150.900110.5Y300 L305 R312Y300-E307 HydrophobicContact CD1-CB 4.34Å; L305-E307 PolarHBondContact O-N 2.05Å; E307-R312 HydrophobicContact CG-CB 4.38Å; E307-R312 WeakPolarHBondContact OE1-CD 3.46Å; E307-R312 IonicContact OE1-NE 2.74Å
308T78.7Confident75.9Confident63 Ų6367.7 Ų67.739%0.38735%0.353SS..  trans-129.6155.5168.661.20000108D310 I311 R312T308-D310 VanDerWaalsContact C-N 3.32Å; T308-D310 PolarHBondContact O-N 3.31Å; T308-I311 PolarHBondContact O-N 2.86Å; T308-I311 VanDerWaalsContact O-N 3.15Å; T308-I311 WeakPolarHBondContact OG1-CB 3.46Å; T308-I311 VanDerWaalsContact OG1-CD1 3.29Å; T308-I311 WeakPolarHBondContact OG1-CD1 3.41Å; T308-I311 WeakPolarHBondContact OG1-CG1 3.01Å; T308-R312 WeakPolarHBondContact O-CB 3.22Å; T308-R312 PolarHBondContact O-N 3.38Å
309C76.6Confident76Confident60 Ų6068.9 Ų68.941%0.40536%0.359SS..Hα-helixtrans-60.3-36.6-177.1-660000113.7C52 R312 Y313C52-C309 HydrophobicContact CB-CB 3.78Å; C52-C309 WeakPolarHBondContact CB-SG 3.42Å; C52-C309 WeakPolarHBondContact SG-CA 3.49Å; C52-C309 WeakPolarHBondContact SG-CB 3.18Å; C52-C309 CovalentContact SG-SG 2.05Å; C52-C309 PolarHBondContact SG-SG 2.76Å; C309-R312 PolarHBondContact O-N 3.11Å; C309-Y313 WeakPolarHBondContact O-CB 3.44Å; C309-Y313 PolarHBondContact O-N 2.97Å
310D75.2Confident76Confident89 Ų8969.4 Ų69.448%0.47636%0.36SS..Hα-helixtrans-65.9-41.5175.6-175.734.9000111.8T308 R314T308-D310 VanDerWaalsContact C-N 3.32Å; T308-D310 PolarHBondContact O-N 3.31Å; D310-R314 WeakPolarHBondContact O-CB 3.33Å; D310-R314 VanDerWaalsContact O-CG 3.26Å; D310-R314 WeakPolarHBondContact O-CG 3.35Å; D310-R314 PolarHBondContact O-N 3.3Å; D310-R314 IonicContact OD1-CZ 3.18Å; D310-R314 IonicContact OD1-NE 3.79Å; D310-R314 PolarHBondContact OD1-NE 2.81Å; D310-R314 VanDerWaalsContact OD1-NE 3.08Å; D310-R314 IonicContact OD1-NH2 2.82Å; D310-R314 IonicContact OD2-CZ 3.03Å; D310-R314 IonicContact OD2-NE 3.36Å; D310-R314 PolarHBondContact OD2-NE 3.12Å; D310-R314 VanDerWaalsContact OD2-NE 3.11Å; D310-R314 IonicContact OD2-NH2 2.66Å; D310-R314 PolarHBondContact OD2-NH2 2.88Å
311I77.3Confident76.2Confident53 Ų5368.7 Ų68.727%0.27236%0.36SS..Hα-helixtrans-64.3-43.8176.7-67.8173000110.3Y300 T308 R314 V315Y300-I311 HydrophobicContact CD1-CG2 4.48Å; Y300-I311 HydrophobicContact CE1-CG2 3.81Å; Y300-I311 HydrophobicContact CE2-CG2 3.81Å; Y300-I311 VanDerWaalsContact CZ-CG2 3.44Å; Y300-I311 WeakPolarHBondContact OH-CG2 3.34Å; T308-I311 PolarHBondContact O-N 2.86Å; T308-I311 VanDerWaalsContact O-N 3.15Å; T308-I311 WeakPolarHBondContact OG1-CB 3.46Å; T308-I311 VanDerWaalsContact OG1-CD1 3.29Å; T308-I311 WeakPolarHBondContact OG1-CD1 3.41Å; T308-I311 WeakPolarHBondContact OG1-CG1 3.01Å; I311-R314 PolarHBondContact O-N 3.32Å; I311-V315 HydrophobicContact CG2-CG2 4.31Å; I311-V315 WeakPolarHBondContact O-CB 3.3Å; I311-V315 VanDerWaalsContact O-CG2 3.27Å; I311-V315 WeakPolarHBondContact O-CG2 3.5Å; I311-V315 PolarHBondContact O-N 2.97Å
312R77.7Confident76.9Confident35 Ų3565.4 Ų65.413%0.13235%0.349CS..Hα-helixtrans-59.3-50.3178.7178.751.6169.6162.419.4111.6D297 R301 E307 T308 C309 R314 V315 E316D297-R312 IonicContact OD1-CZ 3.08Å; D297-R312 IonicContact OD1-NH1 3.45Å; D297-R312 PolarHBondContact OD1-NH1 3.45Å; R301-R312 VanDerWaalsContact NH2-NH1 3.2Å; E307-R312 HydrophobicContact CG-CB 4.38Å; E307-R312 WeakPolarHBondContact OE1-CD 3.46Å; E307-R312 IonicContact OE1-NE 2.74Å; T308-R312 WeakPolarHBondContact O-CB 3.22Å; T308-R312 PolarHBondContact O-N 3.38Å; C309-R312 PolarHBondContact O-N 3.11Å; R312-R314 PolarHBondContact O-N 3.27Å; R312-V315 PolarHBondContact O-N 3.17Å; R312-E316 IonicContact CZ-OE1 3.91Å; R312-E316 IonicContact NE-OE1 3.68Å; R312-E316 PolarHBondContact NE-OE1 2.85Å; R312-E316 VanDerWaalsContact NE-OE1 3.12Å; R312-E316 IonicContact NH1-OE1 3.13Å; R312-E316 IonicContact NH2-OE1 3.59Å; R312-E316 PolarHBondContact NH2-OE1 3.16Å; R312-E316 WeakPolarHBondContact O-CG 3.35Å; R312-E316 PolarHBondContact O-N 3.31Å
313Y77.4Confident77.8Confident68 Ų6865.9 Ų65.927%0.26735%0.346SS..Hα-helixtrans-55.7-49.5175.2174.5-96.2000112.1V56 P57 C309 V315 E316 V317V56-Y313 HydrophobicContact CB-CE2 4.33Å; V56-Y313 HydrophobicContact CG1-CE2 3.9Å; V56-Y313 HydrophobicContact CG2-CE2 4.45Å; P57-Y313 PolarHBondContact O-OH 3.03Å; C309-Y313 WeakPolarHBondContact O-CB 3.44Å; C309-Y313 PolarHBondContact O-N 2.97Å; Y313-V315 VanDerWaalsContact C-N 3.34Å; Y313-V315 PolarHBondContact O-N 2.68Å; Y313-E316 PolarHBondContact O-N 3.01Å; Y313-V317 HydrophobicContact CD1-CG2 4.33Å; Y313-V317 HydrophobicContact CE1-CG2 3.9Å; Y313-V317 HydrophobicContact CE2-CG2 4.3Å; Y313-V317 WeakPolarHBondContact O-CG2 3.35Å; Y313-V317 PolarHBondContact O-N 3.2Å
314R76.8Confident78.8Confident152 Ų15262.8 Ų62.857%0.57431%0.313SS*.Hα-helixtrans-61.8-40.7179.3-72.3172.6-173.2-119.58.4112.6D310 I311 R312 V317 M318D310-R314 WeakPolarHBondContact O-CB 3.33Å; D310-R314 VanDerWaalsContact O-CG 3.26Å; D310-R314 WeakPolarHBondContact O-CG 3.35Å; D310-R314 PolarHBondContact O-N 3.3Å; D310-R314 IonicContact OD1-CZ 3.18Å; D310-R314 IonicContact OD1-NE 3.79Å; D310-R314 PolarHBondContact OD1-NE 2.81Å; D310-R314 VanDerWaalsContact OD1-NE 3.08Å; D310-R314 IonicContact OD1-NH2 2.82Å; D310-R314 IonicContact OD2-CZ 3.03Å; D310-R314 IonicContact OD2-NE 3.36Å; D310-R314 PolarHBondContact OD2-NE 3.12Å; D310-R314 VanDerWaalsContact OD2-NE 3.11Å; D310-R314 IonicContact OD2-NH2 2.66Å; D310-R314 PolarHBondContact OD2-NH2 2.88Å; I311-R314 PolarHBondContact O-N 3.32Å; R312-R314 PolarHBondContact O-N 3.27Å; R314-V317 PolarHBondContact O-N 3.32Å; R314-M318 WeakPolarHBondContact O-CB 3.3Å; R314-M318 WeakPolarHBondContact O-CG 3.2Å; R314-M318 PolarHBondContact O-N 3.21Å
315V79.6Confident79.8Confident17 Ų1759.9 Ų59.910%0.10329%0.291CS..Hα-helixtrans-64.1-42.7178169.60000110.5T293 I296 D297 Y300 I311 R312 Y313 M318 L319T293-V315 HydrophobicContact CG2-CG1 4.45Å; I296-V315 HydrophobicContact CG2-CG2 4.24Å; D297-V315 HydrophobicContact CB-CG1 3.84Å; Y300-V315 HydrophobicContact CD2-CG2 4.36Å; Y300-V315 HydrophobicContact CE2-CG2 4.21Å; I311-V315 HydrophobicContact CG2-CG2 4.31Å; I311-V315 WeakPolarHBondContact O-CB 3.3Å; I311-V315 VanDerWaalsContact O-CG2 3.27Å; I311-V315 WeakPolarHBondContact O-CG2 3.5Å; I311-V315 PolarHBondContact O-N 2.97Å; R312-V315 PolarHBondContact O-N 3.17Å; Y313-V315 VanDerWaalsContact C-N 3.34Å; Y313-V315 PolarHBondContact O-N 2.68Å; V315-M318 PolarHBondContact O-N 2.89Å; V315-L319 HydrophobicContact CG1-CD1 4.19Å; V315-L319 HydrophobicContact CG1-CG 4.41Å; V315-L319 VanDerWaalsContact O-CG 3.32Å; V315-L319 WeakPolarHBondContact O-CG 3.47Å; V315-L319 PolarHBondContact O-N 2.97Å
316E77.6Confident80.8Confident33 Ų3356 Ų5615%0.15427%0.27CS..Hα-helixtrans-63-44.7176.8-71.6-178.8168.100112.6R312 Y313 M318 L319 E320R312-E316 IonicContact CZ-OE1 3.91Å; R312-E316 IonicContact NE-OE1 3.68Å; R312-E316 PolarHBondContact NE-OE1 2.85Å; R312-E316 VanDerWaalsContact NE-OE1 3.12Å; R312-E316 IonicContact NH1-OE1 3.13Å; R312-E316 IonicContact NH2-OE1 3.59Å; R312-E316 PolarHBondContact NH2-OE1 3.16Å; R312-E316 WeakPolarHBondContact O-CG 3.35Å; R312-E316 PolarHBondContact O-N 3.31Å; Y313-E316 PolarHBondContact O-N 3.01Å; E316-M318 VanDerWaalsContact C-N 3.33Å; E316-M318 PolarHBondContact O-N 3.05Å; E316-L319 WeakPolarHBondContact O-CB 3.48Å; E316-L319 PolarHBondContact O-N 2.71Å; E316-E320 PolarHBondContact O-N 3.28Å; E316-E320 VanDerWaalsContact O-N 3.11Å
317V77.9Confident81.7Confident29 Ų2947 Ų4718%0.17623%0.231CC..Hα-helixtrans-58.5-46.3173.5173.30000110.8V56 F59 Y313 R314 L319 E320 V321V56-V317 HydrophobicContact CG1-CG2 3.62Å; F59-V317 HydrophobicContact CE2-CB 4.24Å; F59-V317 HydrophobicContact CE2-CG1 3.99Å; F59-V317 HydrophobicContact CE2-CG2 4.13Å; F59-V317 HydrophobicContact CZ-CB 4.5Å; F59-V317 HydrophobicContact CZ-CG1 3.98Å; Y313-V317 HydrophobicContact CD1-CG2 4.33Å; Y313-V317 HydrophobicContact CE1-CG2 3.9Å; Y313-V317 HydrophobicContact CE2-CG2 4.3Å; Y313-V317 WeakPolarHBondContact O-CG2 3.35Å; Y313-V317 PolarHBondContact O-N 3.2Å; R314-V317 PolarHBondContact O-N 3.32Å; V317-L319 VanDerWaalsContact C-N 3.32Å; V317-L319 PolarHBondContact O-N 2.84Å; V317-E320 PolarHBondContact O-N 3Å; V317-V321 HydrophobicContact CG1-CG2 4.5Å; V317-V321 WeakPolarHBondContact O-CG2 3.4Å; V317-V321 PolarHBondContact O-N 3.26Å
318M81.6Confident82.7Confident108 Ų10843.5 Ų43.553%0.53222%0.215SC..Hα-helixtrans-65-36.3179-70.4-66.4171.300111.9T293 R314 V315 E316 T322T293-M318 HydrophobicContact CG2-CB 3.82Å; R314-M318 WeakPolarHBondContact O-CB 3.3Å; R314-M318 WeakPolarHBondContact O-CG 3.2Å; R314-M318 PolarHBondContact O-N 3.21Å; V315-M318 PolarHBondContact O-N 2.89Å; E316-M318 VanDerWaalsContact C-N 3.33Å; E316-M318 PolarHBondContact O-N 3.05Å; M318-T322 VanDerWaalsContact O-CB 3.27Å; M318-T322 WeakPolarHBondContact O-CB 3.44Å; M318-T322 WeakPolarHBondContact O-CG2 3.42Å; M318-T322 PolarHBondContact O-N 3.16Å; M318-T322 PolarHBondContact O-OG1 3.32Å
319L82.4Confident83.4Confident27 Ų2740.7 Ų40.714%0.14120%0.198CC..Hα-helixtrans-60.7-48.4175.9-78.9170.8000110.7T293 V294 D297 V315 E316 V317 T322 K323T293-L319 HydrophobicContact CG2-CB 4.41Å; T293-L319 HydrophobicContact CG2-CD2 3.59Å; T293-L319 HydrophobicContact CG2-CG 3.64Å; V294-L319 HydrophobicContact CB-CD2 4.43Å; V294-L319 HydrophobicContact CG2-CD2 3.67Å; D297-L319 HydrophobicContact CB-CD1 4Å; V315-L319 HydrophobicContact CG1-CD1 4.19Å; V315-L319 HydrophobicContact CG1-CG 4.41Å; V315-L319 VanDerWaalsContact O-CG 3.32Å; V315-L319 WeakPolarHBondContact O-CG 3.47Å; V315-L319 PolarHBondContact O-N 2.97Å; E316-L319 WeakPolarHBondContact O-CB 3.48Å; E316-L319 PolarHBondContact O-N 2.71Å; V317-L319 VanDerWaalsContact C-N 3.32Å; V317-L319 PolarHBondContact O-N 2.84Å; L319-T322 PolarHBondContact O-N 3.23Å; L319-T322 PolarHBondContact O-OG1 2.91Å; L319-K323 WeakPolarHBondContact O-CB 3.49Å; L319-K323 PolarHBondContact O-N 3.28Å
320E82.1Confident84.1Confident68 Ų6837.9 Ų37.932%0.31818%0.179SC..Hα-helixtrans-64.4-46.9179.6-72.7-58.2151.600112.2F59 E316 V317 T322 K323 V324F59-E320 HydrophobicContact CD1-CB 4.32Å; F59-E320 HydrophobicContact CE1-CB 3.63Å; F59-E320 HydrophobicContact CE2-CB 4.26Å; F59-E320 HydrophobicContact CZ-CB 3.61Å; F59-E320 HydrophobicContact CZ-CG 4.5Å; E316-E320 PolarHBondContact O-N 3.28Å; E316-E320 VanDerWaalsContact O-N 3.11Å; V317-E320 PolarHBondContact O-N 3Å; E320-T322 PolarHBondContact O-N 2.94Å; E320-K323 PolarHBondContact O-N 3.45Å; E320-V324 WeakPolarHBondContact O-CG2 3.5Å; E320-V324 PolarHBondContact O-N 3.03Å; E320-V324 VanDerWaalsContact O-N 3.11Å
321V83.7Confident84.9Confident30 Ų3034.4 Ų34.418%0.18216%0.16CC..Hα-helixtrans-59.4-48.9177.5174.20000110.9M11 L15 F59 V317 V324 I325M11-V321 HydrophobicContact CE-CG1 4.36Å; M11-V321 WeakPolarHBondContact CE-O 3.39Å; L15-V321 HydrophobicContact CD1-CG2 4.08Å; F59-V321 HydrophobicContact CE1-CG2 4.17Å; F59-V321 HydrophobicContact CZ-CG2 3.98Å; V317-V321 HydrophobicContact CG1-CG2 4.5Å; V317-V321 WeakPolarHBondContact O-CG2 3.4Å; V317-V321 PolarHBondContact O-N 3.26Å; V321-V324 PolarHBondContact O-N 3.06Å; V321-I325 HydrophobicContact CG1-CD1 4.14Å; V321-I325 WeakPolarHBondContact O-CG1 3.46Å; V321-I325 PolarHBondContact O-N 3.11Å; V321-I325 VanDerWaalsContact O-N 3.16Å
322T87.6Confident85.5Confident11 Ų1132 Ų327%0.06715%0.148CC..Hα-helixtrans-71.4-30.4-17759.20000112.4P289 M318 L319 E320 I325 A326P289-T322 HydrophobicContact CB-CG2 3.56Å; M318-T322 VanDerWaalsContact O-CB 3.27Å; M318-T322 WeakPolarHBondContact O-CB 3.44Å; M318-T322 WeakPolarHBondContact O-CG2 3.42Å; M318-T322 PolarHBondContact O-N 3.16Å; M318-T322 PolarHBondContact O-OG1 3.32Å; L319-T322 PolarHBondContact O-N 3.23Å; L319-T322 PolarHBondContact O-OG1 2.91Å; E320-T322 PolarHBondContact O-N 2.94Å; T322-I325 PolarHBondContact O-N 3.21Å; T322-A326 WeakPolarHBondContact O-CB 3.35Å; T322-A326 PolarHBondContact O-N 3.13Å
323K89.4Confident85.9Confident31 Ų3130.4 Ų30.414%0.13514%0.142CC..Hα-helixtrans-61.4-46.3172.4-177.9-179.5177.3-173.70111.3Y290 L319 E320 I325 A326 F327Y290-K323 HydrophobicContact CD2-CB 3.85Å; Y290-K323 HydrophobicContact CE2-CB 3.72Å; Y290-K323 HydrophobicContact CE2-CG 4.08Å; L319-K323 WeakPolarHBondContact O-CB 3.49Å; L319-K323 PolarHBondContact O-N 3.28Å; E320-K323 PolarHBondContact O-N 3.45Å; K323-I325 PolarHBondContact O-N 3.1Å; K323-A326 WeakPolarHBondContact O-CB 3.16Å; K323-A326 PolarHBondContact O-N 3.05Å; K323-F327 HydrophobicContact CD-CZ 4.17Å; K323-F327 VanDerWaalsContact CE-CZ 3.49Å; K323-F327 HydrophobicContact CG-CD1 4.24Å; K323-F327 HydrophobicContact CG-CE1 3.67Å; K323-F327 HydrophobicContact CG-CE2 4.22Å; K323-F327 HydrophobicContact CG-CZ 3.65Å; K323-F327 WeakPolarHBondContact O-CD1 3.18Å; K323-F327 WeakPolarHBondContact O-CG 3.45Å; K323-F327 PolarHBondContact O-N 3.45Å
324V89.3Confident86.3Confident1 Ų127.7 Ų27.71%0.00613%0.132CC..Hα-helixtrans-62.8-43.2176.4178.20000110.9M11 L64 I67 Y68 E320 V321 A326 F327 L328M11-V324 HydrophobicContact CE-CB 3.49Å; M11-V324 VanDerWaalsContact CE-CB 3.49Å; M11-V324 HydrophobicContact CE-CG1 3.41Å; M11-V324 VanDerWaalsContact CE-CG1 3.41Å; M11-V324 HydrophobicContact CE-CG2 4.48Å; M11-V324 HydrophobicContact CG-CG1 4.25Å; M11-V324 HydrophobicContact SD-CB 4.26Å; M11-V324 HydrophobicContact SD-CG1 3.55Å; M11-V324 VanDerWaalsContact SD-CG1 3.55Å; L64-V324 HydrophobicContact CD2-CG2 3.51Å; I67-V324 HydrophobicContact CG2-CG1 3.94Å; Y68-V324 HydrophobicContact CE1-CB 4.5Å; Y68-V324 HydrophobicContact CE1-CG1 4.48Å; Y68-V324 HydrophobicContact CE1-CG2 3.94Å; E320-V324 WeakPolarHBondContact O-CG2 3.5Å; E320-V324 PolarHBondContact O-N 3.03Å; E320-V324 VanDerWaalsContact O-N 3.11Å; V321-V324 PolarHBondContact O-N 3.06Å; V324-A326 VanDerWaalsContact C-N 3.29Å; V324-A326 PolarHBondContact O-N 3.09Å; V324-F327 PolarHBondContact O-N 3.42Å; V324-L328 WeakPolarHBondContact O-CG 3.28Å; V324-L328 PolarHBondContact O-N 2.93Å
325I89.6Confident86.7Confident22 Ų2222.2 Ų22.211%0.11312%0.116CC..Hα-helixtrans-58.9-41.7174.8-70169.3000111.4M11 F285 C286 V321 T322 K323 L328M11-I325 HydrophobicContact CE-CD1 4.44Å; M11-I325 HydrophobicContact CE-CG1 3.71Å; M11-I325 HydrophobicContact SD-CG1 3.98Å; F285-I325 HydrophobicContact CE1-CG2 4.48Å; C286-I325 WeakPolarHBondContact CB-O 3.36Å; C286-I325 PolarHBondContact SG-O 3.04Å; V321-I325 HydrophobicContact CG1-CD1 4.14Å; V321-I325 WeakPolarHBondContact O-CG1 3.46Å; V321-I325 PolarHBondContact O-N 3.11Å; V321-I325 VanDerWaalsContact O-N 3.16Å; T322-I325 PolarHBondContact O-N 3.21Å; K323-I325 PolarHBondContact O-N 3.1Å; I325-L328 PolarHBondContact O-N 3.04Å
326A91.9Very high87Confident0 Ų022.6 Ų22.60%012%0.117CC..Hα-helixtrans-63.8-42.6176.100000111.6C286 W287 Y290 T322 K323 V324 L328 H329C286-A326 WeakPolarHBondContact O-CA 3.49Å; C286-A326 WeakPolarHBondContact O-CB 3.42Å; C286-A326 PolarHBondContact O-N 2.62Å; W287-A326 HydrophobicContact CD2-CB 4.04Å; W287-A326 HydrophobicContact CE3-CB 3.73Å; W287-A326 HydrophobicContact CH2-CB 4.05Å; W287-A326 HydrophobicContact CZ2-CB 4.39Å; W287-A326 HydrophobicContact CZ3-CB 3.75Å; Y290-A326 HydrophobicContact CD1-CB 4.43Å; Y290-A326 HydrophobicContact CG-CB 4.18Å; T322-A326 WeakPolarHBondContact O-CB 3.35Å; T322-A326 PolarHBondContact O-N 3.13Å; K323-A326 WeakPolarHBondContact O-CB 3.16Å; K323-A326 PolarHBondContact O-N 3.05Å; V324-A326 VanDerWaalsContact C-N 3.29Å; V324-A326 PolarHBondContact O-N 3.09Å; A326-L328 VanDerWaalsContact C-N 3.31Å; A326-L328 PolarHBondContact O-N 3.38Å; A326-H329 WeakPolarHBondContact O-CB 3.2Å; A326-H329 PolarHBondContact O-N 2.92Å
327F92.5Very high87.2Confident4 Ų421.4 Ų21.42%0.01811%0.111CC..Hα-helixtrans-68.5-30.6-178.5-72.316.9000112.2Y68 V71 F110 L114 W117 K323 V324 H329 C330Y68-F327 HydrophobicContact CD1-CD2 4.04Å; Y68-F327 HydrophobicContact CE1-CB 4.43Å; Y68-F327 AromaticContact CE1-CD2 3.52Å; Y68-F327 HydrophobicContact CE1-CD2 3.52Å; Y68-F327 HydrophobicContact CE1-CE2 4.16Å; Y68-F327 HydrophobicContact CE1-CG 4.35Å; Y68-F327 HydrophobicContact CE2-CD2 4.29Å; Y68-F327 HydrophobicContact CE2-CE2 4.18Å; Y68-F327 AromaticContact CZ-CD2 3.69Å; Y68-F327 AromaticContact CZ-CE2 3.83Å; V71-F327 WeakPolarHBondContact CG1-O 3.39Å; F110-F327 HydrophobicContact CE1-CB 4.34Å; F110-F327 HydrophobicContact CE1-CD1 4.29Å; F110-F327 HydrophobicContact CE1-CG 4.27Å; F110-F327 HydrophobicContact CZ-CB 4.42Å; F110-F327 AromaticContact CZ-CD1 3.56Å; F110-F327 HydrophobicContact CZ-CD1 3.56Å; F110-F327 AromaticContact CZ-CE1 3.98Å; F110-F327 HydrophobicContact CZ-CE1 3.98Å; F110-F327 AromaticContact CZ-CG 3.99Å; F110-F327 HydrophobicContact CZ-CG 3.99Å; L114-F327 HydrophobicContact CD2-CB 4.19Å; L114-F327 HydrophobicContact CD2-CD2 3.38Å; L114-F327 HydrophobicContact CD2-CE2 3.94Å; L114-F327 HydrophobicContact CD2-CG 3.95Å; W117-F327 HydrophobicContact CB-CE2 4.35Å; W117-F327 HydrophobicContact CG-CE2 4.44Å; K323-F327 HydrophobicContact CD-CZ 4.17Å; K323-F327 VanDerWaalsContact CE-CZ 3.49Å; K323-F327 HydrophobicContact CG-CD1 4.24Å; K323-F327 HydrophobicContact CG-CE1 3.67Å; K323-F327 HydrophobicContact CG-CE2 4.22Å; K323-F327 HydrophobicContact CG-CZ 3.65Å; K323-F327 WeakPolarHBondContact O-CD1 3.18Å; K323-F327 WeakPolarHBondContact O-CG 3.45Å; K323-F327 PolarHBondContact O-N 3.45Å; V324-F327 PolarHBondContact O-N 3.42Å; F327-H329 PolarHBondContact O-N 3.11Å; F327-H329 VanDerWaalsContact O-N 3.13Å; F327-C330 PolarHBondContact O-SG 3.34Å
328L92.1Very high87.3Confident12 Ų1222 Ų226%0.06312%0.119CC..THydrogen-bonded Turntrans-60.9-19.9175-73.1168.5000113.7L7 M11 V71 V324 I325 A326 C330 M331 V332L7-L328 HydrophobicContact CB-CD1 4.31Å; L7-L328 HydrophobicContact CD1-CD2 4.36Å; L7-L328 HydrophobicContact CD2-CD2 4.45Å; M11-L328 HydrophobicContact SD-CD1 3.58Å; M11-L328 VanDerWaalsContact SD-CD1 3.58Å; V71-L328 HydrophobicContact CG2-CD2 3.42Å; V71-L328 VanDerWaalsContact CG2-CD2 3.42Å; V71-L328 HydrophobicContact CG2-CG 4.33Å; V324-L328 WeakPolarHBondContact O-CG 3.28Å; V324-L328 PolarHBondContact O-N 2.93Å; I325-L328 PolarHBondContact O-N 3.04Å; A326-L328 VanDerWaalsContact C-N 3.31Å; A326-L328 PolarHBondContact O-N 3.38Å; L328-C330 VanDerWaalsContact C-N 3.32Å; L328-C330 PolarHBondContact O-N 3.48Å; L328-M331 HydrophobicContact CD2-CE 3.66Å; L328-M331 PolarHBondContact O-N 3.4Å; L328-V332 WeakPolarHBondContact O-CG2 3.45Å; L328-V332 PolarHBondContact O-N 3.42Å
329H92.4Very high87.1Confident5 Ų524.4 Ų24.42%0.02313%0.127CC..Hα-helixtrans-48.9-48.7179.5162.8-101.8000113.4D107 F283 C286 W287 A326 F327 M331 V332 N333D107-H329 IonicContact OD1-CE1 3.56Å; D107-H329 PolarHBondContact OD1-CE1 2.74Å; D107-H329 IonicContact OD1-ND1 3.11Å; D107-H329 PolarHBondContact OD1-ND1 2.85Å; F283-H329 AromaticContact CD2-CD2 3.72Å; F283-H329 AromaticContact CD2-CE1 3.96Å; F283-H329 AromaticContact CD2-NE2 3.37Å; F283-H329 WeakPolarHBondContact CD2-NE2 3.33Å; C286-H329 HydrophobicContact CB-CB 3.79Å; W287-H329 AromaticContact CD1-CG 3.92Å; W287-H329 AromaticContact NE1-CD2 3.81Å; W287-H329 AromaticContact NE1-CG 3.22Å; W287-H329 AromaticContact NE1-ND1 3.42Å; W287-H329 PolarHBondContact NE1-ND1 3.01Å; A326-H329 WeakPolarHBondContact O-CB 3.2Å; A326-H329 PolarHBondContact O-N 2.92Å; F327-H329 PolarHBondContact O-N 3.11Å; F327-H329 VanDerWaalsContact O-N 3.13Å; H329-M331 PolarHBondContact O-N 2.7Å; H329-V332 PolarHBondContact O-N 2.99Å; H329-N333 PolarHBondContact CE1-ND2 2.95Å; H329-N333 PolarHBondContact NE2-ND2 3.24Å; H329-N333 PolarHBondContact O-N 3.34Å
330C92.7Very high86.8Confident0 Ų024.9 Ų24.90%013%0.13CC..Hα-helixtrans-66.9-23.4-172.358.40000112.7S75 N79 D107 F110 F327 L328 P334S75-C330 PolarHBondContact OG-SG 3.09Å; N79-C330 PolarHBondContact ND2-O 3.26Å; D107-C330 HydrophobicContact CB-CB 3.99Å; F110-C330 HydrophobicContact CD1-CB 4.13Å; F327-C330 PolarHBondContact O-SG 3.34Å; L328-C330 VanDerWaalsContact C-N 3.32Å; L328-C330 PolarHBondContact O-N 3.48Å; C330-P334 WeakPolarHBondContact O-CD 3.14Å
331M91.8Very high86.5Confident16 Ų1621.9 Ų21.98%0.07912%0.117CC..Hα-helixtrans-81.1-33.8172.8175.8177.869.200112.1L7 V71 F74 S75 L328 H329 N333 V335L7-M331 HydrophobicContact CD1-CE 3.65Å; L7-M331 HydrophobicContact CD2-CE 4.23Å; V71-M331 HydrophobicContact CG1-CB 4.3Å; F74-M331 HydrophobicContact CB-CG 3.67Å; F74-M331 HydrophobicContact CB-SD 3.61Å; F74-M331 HydrophobicContact CD2-SD 4.34Å; F74-M331 HydrophobicContact CG-SD 3.98Å; S75-M331 WeakPolarHBondContact OG-CA 3.28Å; S75-M331 WeakPolarHBondContact OG-CB 3.37Å; S75-M331 PolarHBondContact OG-N 3.35Å; S75-M331 VanDerWaalsContact OG-N 3.11Å; L328-M331 HydrophobicContact CD2-CE 3.66Å; L328-M331 PolarHBondContact O-N 3.4Å; H329-M331 PolarHBondContact O-N 2.7Å; M331-N333 PolarHBondContact O-N 2.92Å; M331-V335 WeakPolarHBondContact O-CG2 3.42Å
332V89.9Confident86.2Confident4 Ų422.9 Ų22.92%0.02412%0.119CC..Hα-helixtrans-68.4-35.8-175.5169.70000111.7L4 A282 L328 H329 V335 L336L4-V332 HydrophobicContact CD1-CB 4.41Å; L4-V332 HydrophobicContact CD1-CG1 3.73Å; L4-V332 HydrophobicContact CD1-CG2 3.72Å; L4-V332 HydrophobicContact CG-CG2 4.37Å; A282-V332 HydrophobicContact CB-CG1 3.86Å; L328-V332 WeakPolarHBondContact O-CG2 3.45Å; L328-V332 PolarHBondContact O-N 3.42Å; H329-V332 PolarHBondContact O-N 2.99Å; V332-V335 WeakPolarHBondContact O-CB 3.23Å; V332-V335 PolarHBondContact O-N 2.83Å; V332-L336 HydrophobicContact CG1-CD1 3.73Å; V332-L336 HydrophobicContact CG1-CG 3.9Å; V332-L336 WeakPolarHBondContact O-CG 3.34Å; V332-L336 PolarHBondContact O-N 3.38Å
333N86.8Confident85.8Confident0 Ų026.7 Ų26.70%014%0.135CC..Hα-helixtrans-56.7-56.6-176.2-74.3-13.5000113.2D107 H329 M331 V335 L336 Y337D107-N333 PolarHBondContact OD2-ND2 2.66Å; H329-N333 PolarHBondContact CE1-ND2 2.95Å; H329-N333 PolarHBondContact NE2-ND2 3.24Å; H329-N333 PolarHBondContact O-N 3.34Å; M331-N333 PolarHBondContact O-N 2.92Å; N333-V335 VanDerWaalsContact C-N 3.3Å; N333-V335 PolarHBondContact O-N 3.01Å; N333-L336 PolarHBondContact O-N 2.86Å; N333-L336 VanDerWaalsContact O-N 3.14Å; N333-Y337 HydrophobicContact CB-CE2 4.03Å; N333-Y337 WeakPolarHBondContact O-CD2 3.44Å; N333-Y337 WeakPolarHBondContact O-CE2 3.43Å; N333-Y337 PolarHBondContact O-N 3.2Å; N333-Y337 VanDerWaalsContact O-N 3.1Å
334P85.2Confident85.4Confident11 Ų1126.8 Ų26.87%0.07114%0.135CC..Hα-helixtrans-54.3-40.6173.7-28.835.6000114.8G78 N79 C330 L336 Y337 A338G78-P334 VanDerWaalsContact CA-CB 3.47Å; N79-P334 HydrophobicContact CB-CG 4.46Å; N79-P334 WeakPolarHBondContact OD1-CG 3.23Å; C330-P334 WeakPolarHBondContact O-CD 3.14Å; P334-L336 PolarHBondContact O-N 3.19Å; P334-Y337 PolarHBondContact O-N 2.99Å; P334-A338 WeakPolarHBondContact O-CB 3.48Å; P334-A338 PolarHBondContact O-N 2.79Å
335V85.4Confident85.2Confident37 Ų3730.4 Ų30.422%0.22415%0.149CC..Hα-helixtrans-60.6-46.7177.7169.10000110.1L3 M331 V332 N333 Y337 A338 F339L3-V335 HydrophobicContact CD2-CG1 3.67Å; L3-V335 HydrophobicContact CD2-CG2 4.35Å; M331-V335 WeakPolarHBondContact O-CG2 3.42Å; V332-V335 WeakPolarHBondContact O-CB 3.23Å; V332-V335 PolarHBondContact O-N 2.83Å; N333-V335 VanDerWaalsContact C-N 3.3Å; N333-V335 PolarHBondContact O-N 3.01Å; V335-Y337 VanDerWaalsContact C-N 3.3Å; V335-Y337 PolarHBondContact O-N 3.17Å; V335-A338 PolarHBondContact O-N 2.99Å; V335-F339 HydrophobicContact CG1-CD2 3.57Å; V335-F339 HydrophobicContact CG1-CE2 3.75Å; V335-F339 WeakPolarHBondContact O-CD2 3.35Å; V335-F339 PolarHBondContact O-N 3.49Å
336L85.6Confident84.9Confident25 Ų2531.5 Ų31.513%0.13116%0.155CC..Hα-helixtrans-60.7-40.2176.9-66.9174.8000111.7A278 V279 A282 V332 N333 P334 I340A278-L336 HydrophobicContact CB-CD2 4.38Å; V279-L336 HydrophobicContact CG2-CB 4.33Å; V279-L336 HydrophobicContact CG2-CD1 4.04Å; A282-L336 HydrophobicContact CB-CD1 3.67Å; V332-L336 HydrophobicContact CG1-CD1 3.73Å; V332-L336 HydrophobicContact CG1-CG 3.9Å; V332-L336 WeakPolarHBondContact O-CG 3.34Å; V332-L336 PolarHBondContact O-N 3.38Å; N333-L336 PolarHBondContact O-N 2.86Å; N333-L336 VanDerWaalsContact O-N 3.14Å; P334-L336 PolarHBondContact O-N 3.19Å; L336-I340 HydrophobicContact CB-CD1 4.38Å; L336-I340 HydrophobicContact CD2-CD1 3.7Å; L336-I340 WeakPolarHBondContact O-CB 3.02Å; L336-I340 WeakPolarHBondContact O-CG1 3.33Å; L336-I340 PolarHBondContact O-N 2.68Å
337Y82.3Confident84.6Confident8 Ų834.4 Ų34.43%0.03117%0.169CC..Hα-helixtrans-64.8-42.9175.6-56.1-45.6000112.3V82 L100 L103 V275 V279 N333 P334 V335 G341V82-Y337 HydrophobicContact CG2-CD2 3.74Å; V82-Y337 HydrophobicContact CG2-CE2 4.27Å; L100-Y337 HydrophobicContact CD2-CE1 3.68Å; L100-Y337 VanDerWaalsContact CD2-OH 3.29Å; L100-Y337 WeakPolarHBondContact CD2-OH 3.43Å; L103-Y337 WeakPolarHBondContact CD2-OH 3.36Å; V275-Y337 HydrophobicContact CG1-CD1 3.89Å; V275-Y337 HydrophobicContact CG1-CE1 4.22Å; V279-Y337 HydrophobicContact CG2-CD1 4.42Å; V279-Y337 HydrophobicContact CG2-CE1 3.61Å; N333-Y337 HydrophobicContact CB-CE2 4.03Å; N333-Y337 WeakPolarHBondContact O-CD2 3.44Å; N333-Y337 WeakPolarHBondContact O-CE2 3.43Å; N333-Y337 PolarHBondContact O-N 3.2Å; N333-Y337 VanDerWaalsContact O-N 3.1Å; P334-Y337 PolarHBondContact O-N 2.99Å; V335-Y337 VanDerWaalsContact C-N 3.3Å; V335-Y337 PolarHBondContact O-N 3.17Å; Y337-G341 WeakPolarHBondContact O-CA 3.49Å; Y337-G341 PolarHBondContact O-N 2.93Å
338A79.9Confident84.3Confident42 Ų4236.1 Ų36.135%0.34718%0.178SC..Hα-helixtrans-65.6-42.9179.800000112.5P334 V335 R345P334-A338 WeakPolarHBondContact O-CB 3.48Å; P334-A338 PolarHBondContact O-N 2.79Å; V335-A338 PolarHBondContact O-N 2.99Å; A338-R345 WeakPolarHBondContact O-CD 3.1Å; A338-R345 WeakPolarHBondContact O-CG 3.36Å
339F76.8Confident84Confident158 Ų15836.9 Ų36.969%0.69318%0.182SC*.Hα-helixtrans-85.8-35.6-176-73.1-72.1000113.7V335V335-F339 HydrophobicContact CG1-CD2 3.57Å; V335-F339 HydrophobicContact CG1-CE2 3.75Å; V335-F339 WeakPolarHBondContact O-CD2 3.35Å; V335-F339 PolarHBondContact O-N 3.49Å
340I76.3Confident83.7Confident38 Ų3838 Ų3820%0.19519%0.189CC..Hα-helixtrans-101.1-30.5-172.3-47.7177.8000111.3R274 V275 A278 L336 E342R274-I340 HydrophobicContact CG-CG2 4.12Å; V275-I340 HydrophobicContact CB-CG2 4.39Å; V275-I340 HydrophobicContact CG2-CB 4.08Å; V275-I340 HydrophobicContact CG2-CG2 3.66Å; A278-I340 HydrophobicContact CB-CD1 3.55Å; L336-I340 HydrophobicContact CB-CD1 4.38Å; L336-I340 HydrophobicContact CD2-CD1 3.7Å; L336-I340 WeakPolarHBondContact O-CB 3.02Å; L336-I340 WeakPolarHBondContact O-CG1 3.33Å; L336-I340 PolarHBondContact O-N 2.68Å; I340-E342 PolarHBondContact O-N 3.46Å
341G75.7Confident83.3Confident5 Ų538.2 Ų38.25%0.05219%0.191CC..  trans-83.190.8-173.400000114.3Y337 K343 F344 R345Y337-G341 WeakPolarHBondContact O-CA 3.49Å; Y337-G341 PolarHBondContact O-N 2.93Å; G341-K343 VanDerWaalsContact C-N 3.34Å; G341-K343 PolarHBondContact O-N 3.17Å; G341-F344 PolarHBondContact O-N 3.47Å; G341-R345 WeakPolarHBondContact O-CG 3.29Å; G341-R345 PolarHBondContact O-N 2.86Å; G341-R345 VanDerWaalsContact O-N 3.11Å; G341-R345 PolarHBondContact O-NE 3.48Å
342E77.8Confident83.1Confident50 Ų5039.2 Ų39.223%0.23420%0.196CC..Hα-helixtrans-60-42.5172.2-168.5-179.6175.300112.3K271 I340 N346 S370K271-E342 IonicContact NZ-OE2 2.77Å; K271-E342 PolarHBondContact NZ-OE2 2.88Å; I340-E342 PolarHBondContact O-N 3.46Å; E342-N346 PolarHBondContact O-N 3.29Å; E342-N346 PolarHBondContact O-ND2 3Å; E342-S370 PolarHBondContact OE1-OG 3.03Å
343K79.4Confident82.9Confident92 Ų9243 Ų4340%0.421%0.211SC..Hα-helixtrans-59.6-49.8175.7-176.8-173.7174-163.90111.1D97 G341 R345 N346 E347D97-K343 IonicContact OD1-NZ 2.97Å; D97-K343 PolarHBondContact OD1-NZ 2.96Å; D97-K343 IonicContact OD2-NZ 3.32Å; D97-K343 PolarHBondContact OD2-NZ 2.91Å; G341-K343 VanDerWaalsContact C-N 3.34Å; G341-K343 PolarHBondContact O-N 3.17Å; K343-R345 PolarHBondContact O-N 3.15Å; K343-N346 PolarHBondContact O-N 3.17Å; K343-E347 HydrophobicContact CG-CG 4.47Å; K343-E347 WeakPolarHBondContact O-CG 3.49Å; K343-E347 PolarHBondContact O-N 3.08Å
344F81Confident82.8Confident32 Ų3248.7 Ų48.714%0.1424%0.235CC..Hα-helixtrans-58.3-47.4-178.3-179.5-101.8000112V81 V82 V85 G341 N346 E347 L348V81-F344 HydrophobicContact CG1-CZ 4.13Å; V82-F344 HydrophobicContact CB-CE2 4.37Å; V82-F344 HydrophobicContact CG2-CE2 4.01Å; V82-F344 HydrophobicContact CG2-CZ 3.88Å; V85-F344 HydrophobicContact CB-CE2 3.88Å; V85-F344 HydrophobicContact CB-CZ 4.47Å; V85-F344 HydrophobicContact CG1-CD2 4.09Å; V85-F344 HydrophobicContact CG1-CE2 3.94Å; V85-F344 HydrophobicContact CG2-CE2 4.02Å; V85-F344 HydrophobicContact CG2-CZ 4.13Å; G341-F344 PolarHBondContact O-N 3.47Å; F344-N346 PolarHBondContact O-N 3.33Å; F344-E347 PolarHBondContact O-N 3.49Å; F344-L348 WeakPolarHBondContact O-CB 3.21Å; F344-L348 PolarHBondContact O-N 3.37Å
345R84.6Confident82.8Confident78 Ų7853.8 Ų53.829%0.29426%0.258SS..Hα-helixtrans-59.1-43.7177.2-71.3-177.2-72179.97.3113.1A338 G341 K343 L348 L349A338-R345 WeakPolarHBondContact O-CD 3.1Å; A338-R345 WeakPolarHBondContact O-CG 3.36Å; G341-R345 WeakPolarHBondContact O-CG 3.29Å; G341-R345 PolarHBondContact O-N 2.86Å; G341-R345 VanDerWaalsContact O-N 3.11Å; G341-R345 PolarHBondContact O-NE 3.48Å; K343-R345 PolarHBondContact O-N 3.15Å; R345-L348 PolarHBondContact O-N 3.38Å; R345-L349 WeakPolarHBondContact O-CG 3.49Å; R345-L349 PolarHBondContact O-N 3.35Å
346N84Confident82.6Confident44 Ų4455 Ų5524%0.23528%0.279CS..Hα-helixtrans-66.3-38.7179.7-72.5-26.4000112.2E342 K343 F344 T350E342-N346 PolarHBondContact O-N 3.29Å; E342-N346 PolarHBondContact O-ND2 3Å; K343-N346 PolarHBondContact O-N 3.17Å; F344-N346 PolarHBondContact O-N 3.33Å; N346-T350 WeakPolarHBondContact O-CB 3.5Å; N346-T350 PolarHBondContact O-N 3.38Å; N346-T350 VanDerWaalsContact O-N 3.08Å; N346-T350 PolarHBondContact O-OG1 3.01Å
347E85Confident82.6Confident61 Ų6159.5 Ų59.529%0.28530%0.301SS..Hα-helixtrans-70.9-39.5176.4-66.9-60.3153.900111.8V85 M89 K343 F344 L349 T350 A351V85-E347 HydrophobicContact CG1-CB 3.8Å; M89-E347 HydrophobicContact CE-CB 3.78Å; M89-E347 HydrophobicContact CE-CG 3.72Å; M89-E347 HydrophobicContact SD-CG 4.5Å; K343-E347 HydrophobicContact CG-CG 4.47Å; K343-E347 WeakPolarHBondContact O-CG 3.49Å; K343-E347 PolarHBondContact O-N 3.08Å; F344-E347 PolarHBondContact O-N 3.49Å; E347-L349 PolarHBondContact O-N 2.93Å; E347-T350 PolarHBondContact O-N 2.95Å; E347-A351 WeakPolarHBondContact O-CB 3.07Å; E347-A351 PolarHBondContact O-N 3.43Å
348L86.4Confident82.8Confident41 Ų4160.4 Ų60.422%0.21531%0.307CS..Hα-helixtrans-57.4-50.4172.8175.560.2000111.5V81 V85 F344 R345 T350 A351 L352V81-L348 HydrophobicContact CG1-CD1 3.78Å; V81-L348 HydrophobicContact CG1-CD2 4.25Å; V85-L348 HydrophobicContact CG2-CB 3.81Å; V85-L348 HydrophobicContact CG2-CD1 3.51Å; V85-L348 HydrophobicContact CG2-CG 4.24Å; F344-L348 WeakPolarHBondContact O-CB 3.21Å; F344-L348 PolarHBondContact O-N 3.37Å; R345-L348 PolarHBondContact O-N 3.38Å; L348-T350 VanDerWaalsContact C-N 3.25Å; L348-T350 PolarHBondContact O-N 3.3Å; L348-A351 PolarHBondContact O-N 3.1Å; L348-L352 HydrophobicContact CD1-CD1 3.92Å; L348-L352 HydrophobicContact CD1-CG 4Å; L348-L352 HydrophobicContact CG-CD1 3.97Å; L348-L352 HydrophobicContact CG-CG 4.44Å; L348-L352 WeakPolarHBondContact O-CB 3.07Å; L348-L352 VanDerWaalsContact O-CG 3.28Å; L348-L352 WeakPolarHBondContact O-CG 3.41Å; L348-L352 PolarHBondContact O-N 3.09Å
349L85.8Confident82.8Confident27 Ų2761.8 Ų61.814%0.14131%0.314CS..Hα-helixtrans-62-35.5177.9-71.7170000112.5R345 E347 Y353 I358 Y366R345-L349 WeakPolarHBondContact O-CG 3.49Å; R345-L349 PolarHBondContact O-N 3.35Å; E347-L349 PolarHBondContact O-N 2.93Å; L349-Y353 WeakPolarHBondContact O-CB 3.41Å; L349-Y353 PolarHBondContact O-N 2.83Å; L349-I358 HydrophobicContact CD2-CD1 3.89Å; L349-Y366 HydrophobicContact CD1-CD1 3.08Å; L349-Y366 HydrophobicContact CD1-CD2 4.28Å; L349-Y366 HydrophobicContact CD1-CE1 3.58Å; L349-Y366 HydrophobicContact CD1-CG 3.48Å; L349-Y366 VanDerWaalsContact CD1-CG 3.48Å
350T85.1Confident82.9Confident29 Ų2960.7 Ų60.718%0.17831%0.309CS..Hα-helixtrans-70.1-39.8176.7-58.80000111.4N346 E347 L348 Y353 K354 W363N346-T350 WeakPolarHBondContact O-CB 3.5Å; N346-T350 PolarHBondContact O-N 3.38Å; N346-T350 VanDerWaalsContact O-N 3.08Å; N346-T350 PolarHBondContact O-OG1 3.01Å; E347-T350 PolarHBondContact O-N 2.95Å; L348-T350 VanDerWaalsContact C-N 3.25Å; L348-T350 PolarHBondContact O-N 3.3Å; T350-Y353 PolarHBondContact O-N 2.84Å; T350-K354 WeakPolarHBondContact O-CG 3.23Å; T350-K354 PolarHBondContact O-N 3.24Å; T350-W363 PolarHBondContact OG1-NE1 3Å
351A84.7Confident82.9Confident4 Ų467.7 Ų67.73%0.03334%0.338CS..Hα-helixtrans-64.5-46.917500000111.3F84 E347 L348 Y353 K354 Q355F84-A351 HydrophobicContact CE1-CB 3.84Å; F84-A351 HydrophobicContact CZ-CB 4.28Å; E347-A351 WeakPolarHBondContact O-CB 3.07Å; E347-A351 PolarHBondContact O-N 3.43Å; L348-A351 PolarHBondContact O-N 3.1Å; A351-Y353 VanDerWaalsContact C-N 3.32Å; A351-Y353 PolarHBondContact O-N 3.45Å; A351-K354 PolarHBondContact O-N 2.78Å; A351-Q355 WeakPolarHBondContact O-CG 3.46Å; A351-Q355 PolarHBondContact O-N 3.09Å
352L86.6Confident82.9Confident38 Ų3872.2 Ų72.220%0.19936%0.36CS..Hα-helixtrans-62.5-37.3177.3-67.3174000112.4L348 Q355 G356 I357 I358L348-L352 HydrophobicContact CD1-CD1 3.92Å; L348-L352 HydrophobicContact CD1-CG 4Å; L348-L352 HydrophobicContact CG-CD1 3.97Å; L348-L352 HydrophobicContact CG-CG 4.44Å; L348-L352 WeakPolarHBondContact O-CB 3.07Å; L348-L352 VanDerWaalsContact O-CG 3.28Å; L348-L352 WeakPolarHBondContact O-CG 3.41Å; L348-L352 PolarHBondContact O-N 3.09Å; L352-Q355 PolarHBondContact O-N 3.02Å; L352-G356 PolarHBondContact O-N 3.33Å; L352-I357 HydrophobicContact CB-CB 4.47Å; L352-I357 HydrophobicContact CD2-CB 4.35Å; L352-I357 HydrophobicContact CD2-CD1 3.72Å; L352-I357 HydrophobicContact CD2-CG2 4.29Å; L352-I357 PolarHBondContact O-N 3.14Å; L352-I358 HydrophobicContact CB-CB 4.48Å; L352-I358 HydrophobicContact CB-CD1 3.61Å; L352-I358 HydrophobicContact CB-CG1 3.94Å; L352-I358 HydrophobicContact CD1-CD1 3.61Å; L352-I358 HydrophobicContact CG-CD1 4.25Å
353Y85.6Confident83Confident84 Ų8472.1 Ų72.133%0.32936%0.358SS..Hα-helixtrans-64.5-44.4173174.4-113.9000112L349 T350 A351 Q355 G356 K360 W363L349-Y353 WeakPolarHBondContact O-CB 3.41Å; L349-Y353 PolarHBondContact O-N 2.83Å; T350-Y353 PolarHBondContact O-N 2.84Å; A351-Y353 VanDerWaalsContact C-N 3.32Å; A351-Y353 PolarHBondContact O-N 3.45Å; Y353-Q355 VanDerWaalsContact C-N 3.26Å; Y353-Q355 PolarHBondContact O-N 3.08Å; Y353-G356 PolarHBondContact O-N 2.9Å; Y353-K360 HydrophobicContact CE2-CB 3.89Å; Y353-K360 HydrophobicContact CE2-CG 4.28Å; Y353-W363 HydrophobicContact CD1-CD2 4.47Å; Y353-W363 HydrophobicContact CG-CB 4.48Å; Y353-W363 HydrophobicContact CG-CG 4.31Å
354K84.7Confident82.7Confident118 Ų11870.4 Ų70.451%0.51336%0.355SS..Hα-helixtrans-62.5-32.1177.8-75.1175.9-179.6177.30113T350 A351 G356T350-K354 WeakPolarHBondContact O-CG 3.23Å; T350-K354 PolarHBondContact O-N 3.24Å; A351-K354 PolarHBondContact O-N 2.78Å; K354-G356 VanDerWaalsContact C-N 3.27Å
355Q85.1Confident82.4Confident118 Ų11872.9 Ų72.955%0.55138%0.376SS*.THydrogen-bonded Turntrans-82.41.2175.8-64.3-62-15.200113.6F84 A351 L352 Y353 I357F84-Q355 HydrophobicContact CE2-CG 4.4Å; F84-Q355 HydrophobicContact CZ-CG 3.84Å; A351-Q355 WeakPolarHBondContact O-CG 3.46Å; A351-Q355 PolarHBondContact O-N 3.09Å; L352-Q355 PolarHBondContact O-N 3.02Å; Y353-Q355 VanDerWaalsContact C-N 3.26Å; Y353-Q355 PolarHBondContact O-N 3.08Å; Q355-I357 HydrophobicContact CB-CD1 3.97Å; Q355-I357 HydrophobicContact CB-CG1 4.08Å; Q355-I357 PolarHBondContact O-N 3.33Å
356G82.2Confident81.7Confident64 Ų6474.2 Ų74.266%0.6638%0.382SS*.THydrogen-bonded Turntrans73.66.4-179.300000115.1L352 Y353 K354 I358L352-G356 PolarHBondContact O-N 3.33Å; Y353-G356 PolarHBondContact O-N 2.9Å; K354-G356 VanDerWaalsContact C-N 3.27Å; G356-I358 VanDerWaalsContact C-N 3.3Å; G356-I358 PolarHBondContact O-N 3.08Å
357I85.4Confident81Confident118 Ų11879.1 Ų79.161%0.60540%0.397SS*.SBendtrans-71.7-28-179.8-60.9169.2000111L352 Q355L352-I357 HydrophobicContact CB-CB 4.47Å; L352-I357 HydrophobicContact CD2-CB 4.35Å; L352-I357 HydrophobicContact CD2-CD1 3.72Å; L352-I357 HydrophobicContact CD2-CG2 4.29Å; L352-I357 PolarHBondContact O-N 3.14Å; Q355-I357 HydrophobicContact CB-CD1 3.97Å; Q355-I357 HydrophobicContact CB-CG1 4.08Å; Q355-I357 PolarHBondContact O-N 3.33Å
358I85.7Confident79.8Confident27 Ų2783.5 Ų83.514%0.13842%0.415CS..SBendtrans-121.9141.2-176-69.2-177.5000111.7L349 L352 G356 L362L349-I358 HydrophobicContact CD2-CD1 3.89Å; L352-I358 HydrophobicContact CB-CB 4.48Å; L352-I358 HydrophobicContact CB-CD1 3.61Å; L352-I358 HydrophobicContact CB-CG1 3.94Å; L352-I358 HydrophobicContact CD1-CD1 3.61Å; L352-I358 HydrophobicContact CG-CD1 4.25Å; G356-I358 VanDerWaalsContact C-N 3.3Å; G356-I358 PolarHBondContact O-N 3.08Å; I358-L362 HydrophobicContact CD1-CD2 4.2Å; I358-L362 HydrophobicContact CG1-CD2 4.36Å; I358-L362 HydrophobicContact CG2-CB 3.73Å; I358-L362 HydrophobicContact CG2-CD2 3.59Å; I358-L362 HydrophobicContact CG2-CG 4.26Å
359S81.4Confident78.5Confident71 Ų7183.3 Ų83.350%0.49742%0.424SS..  trans-71.8148.7174.479.40000113K361 L362 W363S359-K361 PolarHBondContact O-N 3.05Å; S359-K361 VanDerWaalsContact O-N 3.15Å; S359-L362 PolarHBondContact O-N 3.47Å; S359-L362 VanDerWaalsContact O-N 3.1Å; S359-L362 PolarHBondContact OG-N 2.87Å; S359-W363 PolarHBondContact O-N 2.93Å
360K77.6Confident77Confident136 Ų13683 Ų8359%0.59142%0.424SS*.Hα-helixtrans-55.6-33.8177.5-168.9177.6-179.4179.60112.7Y353 V364Y353-K360 HydrophobicContact CE2-CB 3.89Å; Y353-K360 HydrophobicContact CE2-CG 4.28Å; K360-V364 VanDerWaalsContact O-CG2 3.31Å; K360-V364 WeakPolarHBondContact O-CG2 3.49Å; K360-V364 PolarHBondContact O-N 3.31Å; K360-V364 VanDerWaalsContact O-N 3.11Å
361K76Confident75.6Confident184 Ų18484.6 Ų84.680%0.844%0.439SS*.Hα-helixtrans-64.4-43.8178.2-71.6-177.2179.1178.20111.9S359 S365S359-K361 PolarHBondContact O-N 3.05Å; S359-K361 VanDerWaalsContact O-N 3.15Å; K361-S365 WeakPolarHBondContact O-CB 3.41Å; K361-S365 PolarHBondContact O-N 3.02Å
362L76.6Confident73.9Confident101 Ų10187.3 Ų87.353%0.52946%0.462SS..Hα-helixtrans-67-43.1179.6-158.892.9000111.4I358 S359 S365 Y366I358-L362 HydrophobicContact CD1-CD2 4.2Å; I358-L362 HydrophobicContact CG1-CD2 4.36Å; I358-L362 HydrophobicContact CG2-CB 3.73Å; I358-L362 HydrophobicContact CG2-CD2 3.59Å; I358-L362 HydrophobicContact CG2-CG 4.26Å; S359-L362 PolarHBondContact O-N 3.47Å; S359-L362 VanDerWaalsContact O-N 3.1Å; S359-L362 PolarHBondContact OG-N 2.87Å; L362-S365 PolarHBondContact O-N 3.4Å; L362-Y366 PolarHBondContact O-N 3.49Å
363W79.3Confident71.9Confident47 Ų4788.9 Ų88.918%0.17848%0.476CS..Hα-helixtrans-60.6-45.2177.1176.276.1000112.5T350 Y353 S359 R367T350-W363 PolarHBondContact OG1-NE1 3Å; Y353-W363 HydrophobicContact CD1-CD2 4.47Å; Y353-W363 HydrophobicContact CG-CB 4.48Å; Y353-W363 HydrophobicContact CG-CG 4.31Å; S359-W363 PolarHBondContact O-N 2.93Å; W363-R367 PolarHBondContact O-N 2.83Å
364V74.4Confident70.1Confident57 Ų5788 Ų8835%0.34548%0.479SS..Hα-helixtrans-68.3-39.5178.9174.30000112.1K360 R367 K368K360-V364 VanDerWaalsContact O-CG2 3.31Å; K360-V364 WeakPolarHBondContact O-CG2 3.49Å; K360-V364 PolarHBondContact O-N 3.31Å; K360-V364 VanDerWaalsContact O-N 3.11Å; V364-R367 PolarHBondContact O-N 3.09Å; V364-K368 PolarHBondContact O-N 3.27Å
365S74.5Confident68.2Low83 Ų8385.1 Ų85.158%0.5848%0.478SS*.Hα-helixtrans-61.2-47.8-180-1740000112K361 L362 R367 K368 G369K361-S365 WeakPolarHBondContact O-CB 3.41Å; K361-S365 PolarHBondContact O-N 3.02Å; L362-S365 PolarHBondContact O-N 3.4Å; S365-R367 PolarHBondContact O-N 3.37Å; S365-K368 PolarHBondContact O-N 3.43Å; S365-G369 PolarHBondContact O-N 3.04Å; S365-G369 VanDerWaalsContact O-N 3.08Å
366Y70.2Confident66Low106 Ų10682.7 Ų82.742%0.41647%0.474SS..Hα-helixtrans-66.1-38.2-179.9-157.7-87.5000112.4L349 L362 G369 S370L349-Y366 HydrophobicContact CD1-CD1 3.08Å; L349-Y366 HydrophobicContact CD1-CD2 4.28Å; L349-Y366 HydrophobicContact CD1-CE1 3.58Å; L349-Y366 HydrophobicContact CD1-CG 3.48Å; L349-Y366 VanDerWaalsContact CD1-CG 3.48Å; L362-Y366 PolarHBondContact O-N 3.49Å; Y366-G369 PolarHBondContact O-N 2.03Å; Y366-S370 PolarHBondContact O-N 2.99Å; Y366-S370 VanDerWaalsContact O-N 3.12Å
367R68.9Low64.2Low147 Ų14784.8 Ų84.856%0.55547%0.469SS*.Hα-helixtrans-66.6-37.3177.3-157.9176.1-172.8177.21.9112.3W363 V364 S365 S370 A371W363-R367 PolarHBondContact O-N 2.83Å; V364-R367 PolarHBondContact O-N 3.09Å; S365-R367 PolarHBondContact O-N 3.37Å; R367-S370 PolarHBondContact O-N 2.78Å; R367-A371 PolarHBondContact O-N 3.48Å; R367-A371 VanDerWaalsContact O-N 3.12Å
368K60.4Low62.1Low153 Ų15388.6 Ų88.667%0.66548%0.476SS*.Hα-helixtrans-64.1-40.9172.2-86.8-173.9174.8-1760112V364 S365 S370 A371 A372V364-K368 PolarHBondContact O-N 3.27Å; S365-K368 PolarHBondContact O-N 3.43Å; K368-S370 PolarHBondContact O-N 3.37Å; K368-A371 PolarHBondContact O-N 2.71Å; K368-A372 WeakPolarHBondContact O-CB 3.19Å; K368-A372 PolarHBondContact O-N 3.21Å
369G58.7Low59.8Low38 Ų3891 Ų9139%0.39250%0.495SS..Hα-helixtrans-61.5-40.4175.900000113.7S365 Y366 S373S365-G369 PolarHBondContact O-N 3.04Å; S365-G369 VanDerWaalsContact O-N 3.08Å; Y366-G369 PolarHBondContact O-N 2.03Å; G369-S373 WeakPolarHBondContact O-CB 3.49Å; G369-S373 PolarHBondContact O-N 2.87Å; G369-S373 VanDerWaalsContact O-N 3.11Å; G369-S373 PolarHBondContact O-OG 2.87Å
370S54.9Low57.9Low21 Ų2196.6 Ų96.615%0.14751%0.506CS..Hα-helixtrans-67.1-41175-143.40000111.9E342 Y366 R367 K368 V374E342-S370 PolarHBondContact OE1-OG 3.03Å; Y366-S370 PolarHBondContact O-N 2.99Å; Y366-S370 VanDerWaalsContact O-N 3.12Å; R367-S370 PolarHBondContact O-N 2.78Å; K368-S370 PolarHBondContact O-N 3.37Å; S370-V374 WeakPolarHBondContact O-CG2 3.21Å; S370-V374 PolarHBondContact O-N 2.74Å
371A54.7Low56.2Low61 Ų6196.2 Ų96.250%0.50451%0.51SS..Hα-helixtrans-68.8-40.817800000113.1R367 K368 V374 A375R367-A371 PolarHBondContact O-N 3.48Å; R367-A371 VanDerWaalsContact O-N 3.12Å; K368-A371 PolarHBondContact O-N 2.71Å; A371-V374 PolarHBondContact O-N 3.1Å; A371-A375 PolarHBondContact O-N 3.21Å
372A48.1Very low54.8Low61 Ų6192.8 Ų92.850%0.50451%0.505SS..Hα-helixtrans-65.4-37.4176.300000112.1K368 V374 A375 S376K368-A372 WeakPolarHBondContact O-CB 3.19Å; K368-A372 PolarHBondContact O-N 3.21Å; A372-V374 VanDerWaalsContact C-N 3.32Å; A372-V374 PolarHBondContact O-N 2.93Å; A372-A375 PolarHBondContact O-N 3.34Å; A372-S376 WeakPolarHBondContact O-CB 3.17Å; A372-S376 PolarHBondContact O-N 3.45Å
373S45.8Very low53.1Low71 Ų7192.3 Ų92.350%0.49751%0.51SS..Hα-helixtrans-63.6-37.5173.7-58.10000112G369 L377G369-S373 WeakPolarHBondContact O-CB 3.49Å; G369-S373 PolarHBondContact O-N 2.87Å; G369-S373 VanDerWaalsContact O-N 3.11Å; G369-S373 PolarHBondContact O-OG 2.87Å; S373-L377 WeakPolarHBondContact O-CD1 3.19Å; S373-L377 PolarHBondContact O-N 3.44Å
374V48.5Very low51.6Low65 Ų6596.4 Ų96.439%0.39454%0.539SS..Hα-helixtrans-72.9-36.4176.4172.20000112.2S370 A371 A372 R378S370-V374 WeakPolarHBondContact O-CG2 3.21Å; S370-V374 PolarHBondContact O-N 2.74Å; A371-V374 PolarHBondContact O-N 3.1Å; A372-V374 VanDerWaalsContact C-N 3.32Å; A372-V374 PolarHBondContact O-N 2.93Å; V374-R378 PolarHBondContact O-N 3.29Å
375A44.3Very low50Low59 Ų5999 Ų9949%0.48856%0.56SS.*Hα-helixtrans-68.5-41.2175.400000112.3A371 A372 L377 R378 S379A371-A375 PolarHBondContact O-N 3.21Å; A372-A375 PolarHBondContact O-N 3.34Å; A375-L377 PolarHBondContact O-N 2.89Å; A375-R378 PolarHBondContact O-N 2.81Å; A375-R378 VanDerWaalsContact O-N 3.14Å; A375-S379 PolarHBondContact O-N 2.88Å
376S38.4Very low48.1Very low67 Ų67105.6 Ų105.647%0.46960%0.597SS.*Hα-helixtrans-60.6-41.51751640000112.8A372 R378 S379 R380A372-S376 WeakPolarHBondContact O-CB 3.17Å; A372-S376 PolarHBondContact O-N 3.45Å; S376-R378 VanDerWaalsContact C-N 3.31Å; S376-R378 PolarHBondContact O-N 3.03Å; S376-S379 PolarHBondContact O-N 3.27Å; S376-R380 PolarHBondContact O-N 3.06Å
377L45.2Very low47Very low108 Ų108105.6 Ų105.657%0.56561%0.606SS**Hα-helixtrans-67.9-28.3174.7-79.7156.5000113.2S373 A375S373-L377 WeakPolarHBondContact O-CD1 3.19Å; S373-L377 PolarHBondContact O-N 3.44Å; A375-L377 PolarHBondContact O-N 2.89Å
378R40.1Very low45.9Very low197 Ų197103.4 Ų103.474%0.74361%0.608SS**Hα-helixtrans-77.7-34.5177.3-156.8174.8-171.2175.10.4112V374 A375 S376 N381 T382V374-R378 PolarHBondContact O-N 3.29Å; A375-R378 PolarHBondContact O-N 2.81Å; A375-R378 VanDerWaalsContact O-N 3.14Å; S376-R378 VanDerWaalsContact C-N 3.31Å; S376-R378 PolarHBondContact O-N 3.03Å; R378-N381 PolarHBondContact O-N 3.31Å; R378-T382 PolarHBondContact O-OG1 2.68Å
379S38.1Very low45.1Very low77 Ų77100.7 Ų100.754%0.53861%0.605SS.*Hα-helixtrans-69.2-30.8177.1126.40000112.9A375 S376 N381 T382A375-S379 PolarHBondContact O-N 2.88Å; S376-S379 PolarHBondContact O-N 3.27Å; S379-N381 VanDerWaalsContact C-N 3.31Å; S379-N381 PolarHBondContact O-N 3.09Å; S379-T382 PolarHBondContact O-N 3.24Å; S379-T382 PolarHBondContact O-OG1 2.96Å; S379-T382 VanDerWaalsContact O-OG1 3.08Å
380R41.7Very low44.3Very low190 Ų190104.4 Ų104.472%0.71762%0.618SS**THydrogen-bonded Turntrans-70.1-21.1173.5-88.6-176.7179164.70.3114.6S376S376-R380 PolarHBondContact O-N 3.06Å
381N41.3Very low43.6Very low128 Ų128109.6 Ų109.668%0.68465%0.647SS**THydrogen-bonded Turntrans-93.5-2.9178.7-83-5.6000113.8R378 S379R378-N381 PolarHBondContact O-N 3.31Å; S379-N381 VanDerWaalsContact C-N 3.31Å; S379-N381 PolarHBondContact O-N 3.09Å
382T46.2Very low42.9Very low112 Ų112112.8 Ų112.869%0.68766%0.657SS**SBendtrans-105.13.1178.243.50000113.6R378 S379R378-T382 PolarHBondContact O-OG1 2.68Å; S379-T382 PolarHBondContact O-N 3.24Å; S379-T382 PolarHBondContact O-OG1 2.96Å; S379-T382 VanDerWaalsContact O-OG1 3.08Å
383S41Very low42.5Very low91 Ų91116.5 Ų116.564%0.63667%0.668SS**SBendtrans-107.318.3-17664.20000115
384V48.9Very low42.3Very low132 Ų132120 Ų12080%0.868%0.681SS**SBendtrans-129.981.5171.4-173.10000109.4
385S40.2Very low41.7Very low111 Ų111124.6 Ų124.678%0.77671%0.705SS**  trans177.390.6148.654.60000108.5
386V35.6Very low41.5Very low223 Ų223130.5 Ų130.5100%1.35272%0.724SS**  trans-126.80144.5-1790000105.9

Retrieved 386 of 386 residues in 135 ms (Link to these results)

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