A0A096LT64_POEFO Loading...

IQ motif containing GTPase activating protein 1

AlphaFold DB , UniProt , Accession A0A096LT64, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 825 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
1I74.6Confident81.4Confident174 Ų174108.8 Ų108.889%0.89257%0.568SS**  0-50.20-66.2173.3000109.9D3 V4 V5I1-D3 VanDerWaalsContact C-N 3.33Å; I1-D3 PolarHBondContact O-N 2.71Å; I1-V4 WeakPolarHBondContact O-CB 3.38Å; I1-V4 PolarHBondContact O-N 2.96Å; I1-V5 HydrophobicContact CG2-CG2 4.39Å; I1-V5 WeakPolarHBondContact O-CG2 3.36Å; I1-V5 PolarHBondContact O-N 2.93Å
2D73.4Confident81.6Confident119 Ų119114.3 Ų114.364%0.63658%0.575SS**Hα-helixtrans-57.2-38.3177.5-72.3-13000114.9V4 V5 K6D2-V4 VanDerWaalsContact C-N 3.34Å; D2-V4 PolarHBondContact O-N 3.24Å; D2-V5 PolarHBondContact O-N 3.43Å; D2-K6 WeakPolarHBondContact O-CG 3.48Å; D2-K6 PolarHBondContact O-N 2.67Å
3D76.6Confident81.6Confident109 Ų109110.2 Ų110.258%0.58357%0.57SS**Hα-helixtrans-69.7-32.9176.8-60.7-38.6000112.4I1 K6 I7I1-D3 VanDerWaalsContact C-N 3.33Å; I1-D3 PolarHBondContact O-N 2.71Å; D3-K6 PolarHBondContact O-N 3.22Å; D3-I7 WeakPolarHBondContact O-CB 3.38Å; D3-I7 WeakPolarHBondContact O-CD1 3.26Å; D3-I7 WeakPolarHBondContact O-CG1 3.17Å; D3-I7 PolarHBondContact O-N 3.23Å
4V81.8Confident81.9Confident80 Ų80107.6 Ų107.649%0.48556%0.557SS.*Hα-helixtrans-67.5-40.6173178.60000110.2I1 D2 I7 Q8I1-V4 WeakPolarHBondContact O-CB 3.38Å; I1-V4 PolarHBondContact O-N 2.96Å; D2-V4 VanDerWaalsContact C-N 3.34Å; D2-V4 PolarHBondContact O-N 3.24Å; V4-I7 PolarHBondContact O-N 3.45Å; V4-Q8 HydrophobicContact CG1-CG 4.33Å; V4-Q8 VanDerWaalsContact O-CB 3.29Å; V4-Q8 WeakPolarHBondContact O-CB 3.45Å; V4-Q8 WeakPolarHBondContact O-CG 3.38Å; V4-Q8 PolarHBondContact O-N 3.39Å
5V84.6Confident82.1Confident79 Ų79109.4 Ų109.448%0.47956%0.559SS.*Hα-helixtrans-63.9-41.7175175.60000110.9I1 D2 Q8 A9I1-V5 HydrophobicContact CG2-CG2 4.39Å; I1-V5 WeakPolarHBondContact O-CG2 3.36Å; I1-V5 PolarHBondContact O-N 2.93Å; D2-V5 PolarHBondContact O-N 3.43Å; V5-Q8 PolarHBondContact O-N 3.29Å; V5-A9 VanDerWaalsContact O-CB 3.25Å; V5-A9 WeakPolarHBondContact O-CB 3.43Å; V5-A9 PolarHBondContact O-N 3.14Å
6K82.2Confident82.2Confident142 Ų142105.6 Ų105.662%0.61755%0.549SS*.Hα-helixtrans-64.3-44.4175.3-74.7175.2-175.1169.30112.5D2 D3 A9 F10D2-K6 WeakPolarHBondContact O-CG 3.48Å; D2-K6 PolarHBondContact O-N 2.67Å; D3-K6 PolarHBondContact O-N 3.22Å; K6-A9 PolarHBondContact O-N 2.6Å; K6-F10 WeakPolarHBondContact O-CB 3.16Å; K6-F10 PolarHBondContact O-N 3.03Å
7I85.6Confident82.3Confident102 Ų102109.2 Ų109.252%0.52355%0.554SS.*Hα-helixtrans-64.5-44.6176.9-69.7164.7000110.4D3 V4 A9 F10 I11D3-I7 WeakPolarHBondContact O-CB 3.38Å; D3-I7 WeakPolarHBondContact O-CD1 3.26Å; D3-I7 WeakPolarHBondContact O-CG1 3.17Å; D3-I7 PolarHBondContact O-N 3.23Å; V4-I7 PolarHBondContact O-N 3.45Å; I7-A9 VanDerWaalsContact C-N 3.34Å; I7-A9 PolarHBondContact O-N 3.17Å; I7-F10 PolarHBondContact O-N 3.21Å; I7-I11 HydrophobicContact CG2-CD1 3.78Å; I7-I11 HydrophobicContact CG2-CG1 4.42Å; I7-I11 VanDerWaalsContact O-CG1 3.3Å; I7-I11 WeakPolarHBondContact O-CG1 3.42Å; I7-I11 PolarHBondContact O-N 2.84Å
8Q82.1Confident82.5Confident89 Ų89106.9 Ų106.942%0.41654%0.543SS..Hα-helixtrans-62.6-40.9175.5-74.8179-3.300111.8V4 V5 I11 R12V4-Q8 HydrophobicContact CG1-CG 4.33Å; V4-Q8 VanDerWaalsContact O-CB 3.29Å; V4-Q8 WeakPolarHBondContact O-CB 3.45Å; V4-Q8 WeakPolarHBondContact O-CG 3.38Å; V4-Q8 PolarHBondContact O-N 3.39Å; V5-Q8 PolarHBondContact O-N 3.29Å; Q8-I11 PolarHBondContact O-N 2.92Å; Q8-R12 WeakPolarHBondContact O-CB 3.49Å; Q8-R12 WeakPolarHBondContact O-CG 3.45Å; Q8-R12 PolarHBondContact O-N 3.27Å
9A82.4Confident82.7Confident54 Ų54102.6 Ų102.645%0.44652%0.522SS..Hα-helixtrans-63.4-43175.300000111.5V5 K6 I7 R12 A13V5-A9 VanDerWaalsContact O-CB 3.25Å; V5-A9 WeakPolarHBondContact O-CB 3.43Å; V5-A9 PolarHBondContact O-N 3.14Å; K6-A9 PolarHBondContact O-N 2.6Å; I7-A9 VanDerWaalsContact C-N 3.34Å; I7-A9 PolarHBondContact O-N 3.17Å; A9-R12 PolarHBondContact O-N 3.47Å; A9-A13 VanDerWaalsContact O-CB 3.31Å; A9-A13 WeakPolarHBondContact O-CB 3.16Å; A9-A13 PolarHBondContact O-N 3.37Å
10F85.9Confident82.7Confident148 Ų148100.9 Ų100.965%0.64951%0.509SS*.Hα-helixtrans-63.7-45.8176.6-176.5-96.5000112.2K6 I7 R12 A13 N14K6-F10 WeakPolarHBondContact O-CB 3.16Å; K6-F10 PolarHBondContact O-N 3.03Å; I7-F10 PolarHBondContact O-N 3.21Å; F10-R12 PolarHBondContact O-N 3.49Å; F10-A13 PolarHBondContact O-N 3.04Å; F10-N14 WeakPolarHBondContact O-CB 3.4Å; F10-N14 PolarHBondContact O-N 3.42Å
11I86.1Confident82.7Confident101 Ų101100.8 Ų100.852%0.51851%0.505SS..Hα-helixtrans-63.1-43.3176.9-68.3170000110.7I7 Q8 A13 N14 K15I7-I11 HydrophobicContact CG2-CD1 3.78Å; I7-I11 HydrophobicContact CG2-CG1 4.42Å; I7-I11 VanDerWaalsContact O-CG1 3.3Å; I7-I11 WeakPolarHBondContact O-CG1 3.42Å; I7-I11 PolarHBondContact O-N 2.84Å; Q8-I11 PolarHBondContact O-N 2.92Å; I11-A13 VanDerWaalsContact C-N 3.35Å; I11-A13 PolarHBondContact O-N 2.88Å; I11-N14 PolarHBondContact O-N 3.41Å; I11-K15 WeakPolarHBondContact O-CB 3.19Å; I11-K15 PolarHBondContact O-N 2.97Å
12R84.1Confident83.2Confident174 Ų17495 Ų9566%0.65748%0.479SS*.Hα-helixtrans-61.9-42.5175.3-73.1174.4-162.9179.87.7111.4Q8 A9 F10 A16Q8-R12 WeakPolarHBondContact O-CB 3.49Å; Q8-R12 WeakPolarHBondContact O-CG 3.45Å; Q8-R12 PolarHBondContact O-N 3.27Å; A9-R12 PolarHBondContact O-N 3.47Å; F10-R12 PolarHBondContact O-N 3.49Å; R12-A16 VanDerWaalsContact O-CB 3.29Å; R12-A16 WeakPolarHBondContact O-CB 3.26Å; R12-A16 PolarHBondContact O-N 3.37Å
13A81.6Confident83.7Confident61 Ų6189.5 Ų89.550%0.50445%0.449SS..Hα-helixtrans-64.9-42.3177.300000112A9 F10 I11 A16 R17A9-A13 VanDerWaalsContact O-CB 3.31Å; A9-A13 WeakPolarHBondContact O-CB 3.16Å; A9-A13 PolarHBondContact O-N 3.37Å; F10-A13 PolarHBondContact O-N 3.04Å; I11-A13 VanDerWaalsContact C-N 3.35Å; I11-A13 PolarHBondContact O-N 2.88Å; A13-A16 PolarHBondContact O-N 3.11Å; A13-R17 WeakPolarHBondContact O-CB 3.43Å; A13-R17 PolarHBondContact O-N 3.34Å
14N85.6Confident83.8Confident74 Ų7487.4 Ų87.440%0.39644%0.437SS..Hα-helixtrans-67.9-43.4178.2-159.746.1000111.5F10 I11 A16 R17 D18F10-N14 WeakPolarHBondContact O-CB 3.4Å; F10-N14 PolarHBondContact O-N 3.42Å; I11-N14 PolarHBondContact O-N 3.41Å; N14-A16 PolarHBondContact O-N 3.01Å; N14-R17 WeakPolarHBondContact O-CB 3.39Å; N14-R17 PolarHBondContact O-N 2.78Å; N14-R17 VanDerWaalsContact O-N 3.11Å; N14-D18 PolarHBondContact O-N 3.18Å
15K85.8Confident83.9Confident135 Ų13589.8 Ų89.859%0.58745%0.447SS*.Hα-helixtrans-60.1-44173.8-172.4171.7-176.11720111.8I11 R17 D18 D19I11-K15 WeakPolarHBondContact O-CB 3.19Å; I11-K15 PolarHBondContact O-N 2.97Å; K15-R17 VanDerWaalsContact C-N 3.29Å; K15-R17 PolarHBondContact O-N 3.39Å; K15-D18 PolarHBondContact O-N 3.43Å; K15-D19 WeakPolarHBondContact O-CB 3.43Å; K15-D19 PolarHBondContact O-N 3.24Å
16A82.9Confident83.8Confident48 Ų4887.4 Ų87.440%0.39744%0.435SS..Hα-helixtrans-62.8-35.417500000112.4R12 A13 N14 Y20R12-A16 VanDerWaalsContact O-CB 3.29Å; R12-A16 WeakPolarHBondContact O-CB 3.26Å; R12-A16 PolarHBondContact O-N 3.37Å; A13-A16 PolarHBondContact O-N 3.11Å; N14-A16 PolarHBondContact O-N 3.01Å; A16-Y20 VanDerWaalsContact O-CB 3.26Å; A16-Y20 WeakPolarHBondContact O-CB 3.48Å; A16-Y20 PolarHBondContact O-N 3.02Å
17R84Confident83.6Confident167 Ų16788.8 Ų88.863%0.6344%0.444SS*.Hα-helixtrans-68.2-40.1175.9-170.4177.8-1761710.3112.1A13 N14 K15 Y20 K21A13-R17 WeakPolarHBondContact O-CB 3.43Å; A13-R17 PolarHBondContact O-N 3.34Å; N14-R17 WeakPolarHBondContact O-CB 3.39Å; N14-R17 PolarHBondContact O-N 2.78Å; N14-R17 VanDerWaalsContact O-N 3.11Å; K15-R17 VanDerWaalsContact C-N 3.29Å; K15-R17 PolarHBondContact O-N 3.39Å; R17-Y20 WeakPolarHBondContact O-CB 3.25Å; R17-Y20 PolarHBondContact O-N 3.28Å; R17-K21 WeakPolarHBondContact O-CG 3.47Å; R17-K21 PolarHBondContact O-N 3.36Å
18D85.9Confident83.4Confident68 Ų6888.6 Ų88.636%0.36444%0.444SS..Hα-helixtrans-73.8-38.7177.1-71.2-23000111.9N14 K15 Y20 K21 T22N14-D18 PolarHBondContact O-N 3.18Å; K15-D18 PolarHBondContact O-N 3.43Å; D18-Y20 PolarHBondContact O-N 3.11Å; D18-K21 PolarHBondContact O-N 2.88Å; D18-K21 IonicContact OD1-NZ 2.87Å; D18-K21 PolarHBondContact OD1-NZ 3.14Å; D18-K21 VanDerWaalsContact OD1-NZ 3.14Å; D18-T22 WeakPolarHBondContact O-CB 3.43Å; D18-T22 PolarHBondContact O-N 2.99Å; D18-T22 PolarHBondContact O-OG1 3.02Å
19D86Confident83.6Confident25 Ų2584.4 Ų84.413%0.13442%0.424CS..Hα-helixtrans-56.1-42.1168.1-71.3-40.3000110.2K15 T22 L23 V33 K36 F37K15-D19 WeakPolarHBondContact O-CB 3.43Å; K15-D19 PolarHBondContact O-N 3.24Å; D19-T22 WeakPolarHBondContact O-CB 3.43Å; D19-T22 PolarHBondContact O-N 3.07Å; D19-L23 PolarHBondContact O-N 3.17Å; D19-V33 HydrophobicContact CB-CG1 4.34Å; D19-V33 WeakPolarHBondContact O-CG1 3.15Å; D19-K36 VanDerWaalsContact CG-NZ 3.27Å; D19-K36 IonicContact OD1-NZ 3.08Å; D19-K36 PolarHBondContact OD1-NZ 2.92Å; D19-K36 IonicContact OD2-NZ 3.39Å; D19-K36 PolarHBondContact OD2-NZ 2.92Å; D19-F37 HydrophobicContact CB-CE2 3.91Å; D19-F37 HydrophobicContact CB-CZ 4.22Å
20Y82.1Confident83.7Confident68 Ų6884.9 Ų84.927%0.26742%0.423SS..Hα-helixtrans-68-42.1177.8-174.4-109.3000113.2A16 R17 D18 T22 L23 I24 F37 R657A16-Y20 VanDerWaalsContact O-CB 3.26Å; A16-Y20 WeakPolarHBondContact O-CB 3.48Å; A16-Y20 PolarHBondContact O-N 3.02Å; R17-Y20 WeakPolarHBondContact O-CB 3.25Å; R17-Y20 PolarHBondContact O-N 3.28Å; D18-Y20 PolarHBondContact O-N 3.11Å; Y20-T22 VanDerWaalsContact C-N 3.28Å; Y20-T22 PolarHBondContact O-N 3.38Å; Y20-L23 WeakPolarHBondContact O-CB 3.15Å; Y20-L23 PolarHBondContact O-N 3.08Å; Y20-I24 HydrophobicContact CD1-CD1 3.83Å; Y20-I24 HydrophobicContact CE1-CD1 3.23Å; Y20-I24 HydrophobicContact CE1-CG1 4.27Å; Y20-I24 HydrophobicContact CE2-CD1 4.2Å; Y20-I24 VanDerWaalsContact CZ-CD1 3.45Å; Y20-I24 WeakPolarHBondContact O-CG1 3.46Å; Y20-I24 PolarHBondContact O-N 3.18Å; Y20-F37 HydrophobicContact CD2-CD1 4.33Å; Y20-F37 AromaticContact CD2-CE1 3.84Å; Y20-F37 HydrophobicContact CD2-CE1 3.84Å; Y20-F37 HydrophobicContact CD2-CZ 4.04Å; Y20-F37 HydrophobicContact CG-CZ 4.43Å; Y20-R657 WeakPolarHBondContact OH-CD 3.28Å; Y20-R657 PolarHBondContact OH-NH1 2.84Å
21K83.8Confident83.6Confident99 Ų9978 Ų7843%0.4339%0.393SS..Hα-helixtrans-60.3-41.9173.1-75.9174.8-171.9160.80111.2R17 D18 L23 I24 N25R17-K21 WeakPolarHBondContact O-CG 3.47Å; R17-K21 PolarHBondContact O-N 3.36Å; D18-K21 PolarHBondContact O-N 2.88Å; D18-K21 IonicContact OD1-NZ 2.87Å; D18-K21 PolarHBondContact OD1-NZ 3.14Å; D18-K21 VanDerWaalsContact OD1-NZ 3.14Å; K21-L23 VanDerWaalsContact C-N 3.32Å; K21-I24 PolarHBondContact O-N 2.99Å; K21-I24 VanDerWaalsContact O-N 3.17Å; K21-N25 WeakPolarHBondContact O-CB 3.32Å; K21-N25 PolarHBondContact O-N 3.4Å
22T85.8Confident83.5Confident54 Ų5475 Ų7533%0.33138%0.384SS..Hα-helixtrans-61.4-44.5176-530000110.1D18 D19 Y20 I24 A26D18-T22 WeakPolarHBondContact O-CB 3.43Å; D18-T22 PolarHBondContact O-N 2.99Å; D18-T22 PolarHBondContact O-OG1 3.02Å; D19-T22 WeakPolarHBondContact O-CB 3.43Å; D19-T22 PolarHBondContact O-N 3.07Å; Y20-T22 VanDerWaalsContact C-N 3.28Å; Y20-T22 PolarHBondContact O-N 3.38Å; T22-I24 VanDerWaalsContact C-N 3.28Å; T22-I24 PolarHBondContact O-N 3.17Å; T22-A26 HydrophobicContact CG2-CB 4.16Å; T22-A26 WeakPolarHBondContact O-CB 3.37Å; T22-A26 PolarHBondContact O-N 2.93Å
23L83.6Confident83.5Confident3 Ų367.2 Ų67.22%0.01636%0.355CS..Hα-helixtrans-60-34.9175.1-177.369.7000112.5D19 Y20 K21 V33 V34 F37 A650 I653 R654D19-L23 PolarHBondContact O-N 3.17Å; Y20-L23 WeakPolarHBondContact O-CB 3.15Å; Y20-L23 PolarHBondContact O-N 3.08Å; K21-L23 VanDerWaalsContact C-N 3.32Å; L23-V33 HydrophobicContact CB-CG1 3.99Å; L23-V34 HydrophobicContact CD1-CG2 4.23Å; L23-F37 HydrophobicContact CB-CD2 4.32Å; L23-F37 HydrophobicContact CB-CE2 4.5Å; L23-F37 HydrophobicContact CD2-CB 3.63Å; L23-F37 HydrophobicContact CD2-CD1 4.44Å; L23-F37 HydrophobicContact CD2-CD2 3.65Å; L23-F37 HydrophobicContact CD2-CE2 4.41Å; L23-F37 HydrophobicContact CD2-CG 3.66Å; L23-F37 HydrophobicContact CG-CD2 4.46Å; L23-A650 HydrophobicContact CD1-CB 3.97Å; L23-I653 HydrophobicContact CD2-CG2 3.83Å; L23-R654 PolarHBondContact O-NE 2.96Å; L23-R654 PolarHBondContact O-NH2 2.78Å
24I79.1Confident83.6Confident65 Ų6564.3 Ų64.333%0.33333%0.331SS..Hα-helixtrans-82.3-44.2-177.6-67.8177.4000112.3Y20 K21 T22 R654Y20-I24 HydrophobicContact CD1-CD1 3.83Å; Y20-I24 HydrophobicContact CE1-CD1 3.23Å; Y20-I24 HydrophobicContact CE1-CG1 4.27Å; Y20-I24 HydrophobicContact CE2-CD1 4.2Å; Y20-I24 VanDerWaalsContact CZ-CD1 3.45Å; Y20-I24 WeakPolarHBondContact O-CG1 3.46Å; Y20-I24 PolarHBondContact O-N 3.18Å; K21-I24 PolarHBondContact O-N 2.99Å; K21-I24 VanDerWaalsContact O-N 3.17Å; T22-I24 VanDerWaalsContact C-N 3.28Å; T22-I24 PolarHBondContact O-N 3.17Å; I24-R654 VanDerWaalsContact O-CZ 3.29Å; I24-R654 PolarHBondContact O-NH1 3Å
25N82Confident83.6Confident130 Ų13064.9 Ų64.970%0.69533%0.328SS*.Hα-helixtrans-99.4-24.2-164.8-63.6-21000113.6K21K21-N25 WeakPolarHBondContact O-CB 3.32Å; K21-N25 PolarHBondContact O-N 3.4Å
26A83.8Confident83.5Confident28 Ų2862.6 Ų62.623%0.23132%0.318CS..  trans-73.8137.4-178.300000110.8T22 P29 R654T22-A26 HydrophobicContact CG2-CB 4.16Å; T22-A26 WeakPolarHBondContact O-CB 3.37Å; T22-A26 PolarHBondContact O-N 2.93Å; A26-P29 HydrophobicContact CB-CB 4.48Å; A26-R654 PolarHBondContact O-NH2 3.05Å
27E76.9Confident83.5Confident171 Ų17161.6 Ų61.680%0.79931%0.305SS*.SBendtrans-68.8-40.1172.6-166.1168.4-164.600111P29E27-P29 WeakPolarHBondContact O-CD 3.25Å
28N82.6Confident83.2Confident99 Ų9953.7 Ų53.753%0.52928%0.275SS..SBendtrans-118.880.1177.2-62.8-44.1000110.9N647N28-N647 WeakPolarHBondContact CA-OD1 3.17Å; N28-N647 PolarHBondContact OD1-ND2 3.47Å
29P85.4Confident82.8Confident0 Ų055.4 Ų55.40%028%0.28CS..  trans-67.3138.1-179.925.3-31.4000111.5A26 E27 V34 Q643 A650A26-P29 HydrophobicContact CB-CB 4.48Å; E27-P29 WeakPolarHBondContact O-CD 3.25Å; P29-V34 HydrophobicContact CB-CG2 4.12Å; P29-V34 HydrophobicContact CG-CG2 4.05Å; P29-Q643 PolarHBondContact O-NE2 2.93Å; P29-A650 HydrophobicContact CG-CB 3.38Å
30P85.3Confident82.3Confident65 Ų6556.6 Ų56.642%0.42229%0.287SS..  trans-61.3143.7178.1-22.331.8000112.7A32 V33 V34P30-A32 PolarHBondContact O-N 3.27Å; P30-V33 HydrophobicContact CB-CG2 4.21Å; P30-V33 HydrophobicContact CG-CG2 4.23Å; P30-V33 WeakPolarHBondContact O-CA 3.44Å; P30-V33 WeakPolarHBondContact O-CB 3.46Å; P30-V33 PolarHBondContact O-N 2.92Å; P30-V34 PolarHBondContact O-N 3.35Å
31M83.1Confident81.9Confident3 Ų355 Ų552%0.01528%0.282CS..Hα-helixtrans-53.3-40.7178.7-173.561.6-129.400112.8V33 V34 R35 I561 E567 I572 I646M31-V33 VanDerWaalsContact C-N 3.25Å; M31-V33 PolarHBondContact O-N 3.35Å; M31-V34 PolarHBondContact O-N 3.49Å; M31-R35 HydrophobicContact CE-CB 4.33Å; M31-R35 WeakPolarHBondContact O-CB 3.46Å; M31-R35 PolarHBondContact O-N 3.44Å; M31-I561 HydrophobicContact CE-CB 3.45Å; M31-I561 VanDerWaalsContact CE-CB 3.45Å; M31-I561 HydrophobicContact CE-CD1 3.59Å; M31-I561 HydrophobicContact CE-CG1 4.02Å; M31-I561 HydrophobicContact CE-CG2 3.36Å; M31-I561 HydrophobicContact SD-CG2 4.39Å; M31-E567 WeakPolarHBondContact CB-O 3.39Å; M31-I572 HydrophobicContact CE-CD1 4.4Å; M31-I572 HydrophobicContact CG-CD1 4.09Å; M31-I646 HydrophobicContact CE-CD1 4.4Å; M31-I646 HydrophobicContact SD-CB 4.48Å; M31-I646 HydrophobicContact SD-CD1 3.47Å; M31-I646 WeakPolarHBondContact SD-CD1 3.47Å; M31-I646 HydrophobicContact SD-CG1 3.81Å; M31-I646 HydrophobicContact SD-CG2 3.83Å
32A83.6Confident81.2Confident39 Ų3951.9 Ų51.932%0.32227%0.271SS..Hα-helixtrans-62-32.2177.900000113.1P30 K36P30-A32 PolarHBondContact O-N 3.27Å; A32-K36 WeakPolarHBondContact O-CG 3.28Å
33V84.7Confident80.4Confident10 Ų1051 Ų516%0.06126%0.263CS..Hα-helixtrans-74.7-50.4174.6175.20000109.5D19 L23 P30 M31 R35 K36 F37D19-V33 HydrophobicContact CB-CG1 4.34Å; D19-V33 WeakPolarHBondContact O-CG1 3.15Å; L23-V33 HydrophobicContact CB-CG1 3.99Å; P30-V33 HydrophobicContact CB-CG2 4.21Å; P30-V33 HydrophobicContact CG-CG2 4.23Å; P30-V33 WeakPolarHBondContact O-CA 3.44Å; P30-V33 WeakPolarHBondContact O-CB 3.46Å; P30-V33 PolarHBondContact O-N 2.92Å; M31-V33 VanDerWaalsContact C-N 3.25Å; M31-V33 PolarHBondContact O-N 3.35Å; V33-R35 VanDerWaalsContact C-N 3.33Å; V33-R35 PolarHBondContact O-N 2.89Å; V33-K36 WeakPolarHBondContact O-CB 3.21Å; V33-K36 PolarHBondContact O-N 2.97Å; V33-K36 VanDerWaalsContact O-N 3.14Å; V33-F37 HydrophobicContact CG1-CD2 4.23Å; V33-F37 HydrophobicContact CG1-CE2 4.12Å; V33-F37 VanDerWaalsContact O-CD2 3.25Å; V33-F37 WeakPolarHBondContact O-CD2 3.35Å
34V83.8Confident79.7Confident0 Ų053.1 Ų53.10%028%0.278CS..Hα-helixtrans-53.4-50.7179.2176.90000110.5L23 P29 P30 M31 K36 F37 V38 I646 I649 A650 I653L23-V34 HydrophobicContact CD1-CG2 4.23Å; P29-V34 HydrophobicContact CB-CG2 4.12Å; P29-V34 HydrophobicContact CG-CG2 4.05Å; P30-V34 PolarHBondContact O-N 3.35Å; M31-V34 PolarHBondContact O-N 3.49Å; V34-K36 VanDerWaalsContact C-N 3.29Å; V34-K36 PolarHBondContact O-N 2.98Å; V34-F37 CarbonylContact O-C 3.6Å; V34-F37 PolarHBondContact O-N 3.2Å; V34-V38 HydrophobicContact CG1-CG2 4.2Å; V34-V38 WeakPolarHBondContact O-CG2 3.23Å; V34-V38 PolarHBondContact O-N 3.32Å; V34-I646 HydrophobicContact CB-CG2 4.29Å; V34-I646 HydrophobicContact CG1-CG2 4.42Å; V34-I646 HydrophobicContact CG2-CG2 3.85Å; V34-I649 HydrophobicContact CG1-CG2 3.94Å; V34-A650 HydrophobicContact CG2-CB 3.96Å; V34-I653 HydrophobicContact CG1-CD1 3.93Å
35R84.7Confident79.3Confident85 Ų8554.9 Ų54.932%0.32129%0.288SS..Hα-helixtrans-49.9-43.7178.3178.1177.364.1152.3-2.5113.8M31 V33 F37 V38 I561M31-R35 HydrophobicContact CE-CB 4.33Å; M31-R35 WeakPolarHBondContact O-CB 3.46Å; M31-R35 PolarHBondContact O-N 3.44Å; V33-R35 VanDerWaalsContact C-N 3.33Å; V33-R35 PolarHBondContact O-N 2.89Å; R35-F37 PolarHBondContact O-N 2.94Å; R35-V38 PolarHBondContact O-N 3.39Å; R35-I561 WeakPolarHBondContact CD-O 3.44Å; R35-I561 WeakPolarHBondContact CG-O 3.44Å
36K84.3Confident78.9Confident88 Ų8854 Ų5438%0.38328%0.28SS..Hα-helixtrans-60.9-28.5179.9-69.8172.5-174.4167.30112.2D19 A32 V33 V34 H39D19-K36 VanDerWaalsContact CG-NZ 3.27Å; D19-K36 IonicContact OD1-NZ 3.08Å; D19-K36 PolarHBondContact OD1-NZ 2.92Å; D19-K36 IonicContact OD2-NZ 3.39Å; D19-K36 PolarHBondContact OD2-NZ 2.92Å; A32-K36 WeakPolarHBondContact O-CG 3.28Å; V33-K36 WeakPolarHBondContact O-CB 3.21Å; V33-K36 PolarHBondContact O-N 2.97Å; V33-K36 VanDerWaalsContact O-N 3.14Å; V34-K36 VanDerWaalsContact C-N 3.29Å; V34-K36 PolarHBondContact O-N 2.98Å; K36-H39 PolarHBondContact O-CE1 3.39Å; K36-H39 PolarHBondContact O-ND1 3.36Å
37F83.1Confident78.4Confident27 Ų2753 Ų5312%0.11827%0.27CS..Hα-helixtrans-107.8-0.2-174.8-63.3-72.3000114.4D19 Y20 L23 V33 V34 R35 H39 L40 I653D19-F37 HydrophobicContact CB-CE2 3.91Å; D19-F37 HydrophobicContact CB-CZ 4.22Å; Y20-F37 HydrophobicContact CD2-CD1 4.33Å; Y20-F37 AromaticContact CD2-CE1 3.84Å; Y20-F37 HydrophobicContact CD2-CE1 3.84Å; Y20-F37 HydrophobicContact CD2-CZ 4.04Å; Y20-F37 HydrophobicContact CG-CZ 4.43Å; L23-F37 HydrophobicContact CB-CD2 4.32Å; L23-F37 HydrophobicContact CB-CE2 4.5Å; L23-F37 HydrophobicContact CD2-CB 3.63Å; L23-F37 HydrophobicContact CD2-CD1 4.44Å; L23-F37 HydrophobicContact CD2-CD2 3.65Å; L23-F37 HydrophobicContact CD2-CE2 4.41Å; L23-F37 HydrophobicContact CD2-CG 3.66Å; L23-F37 HydrophobicContact CG-CD2 4.46Å; V33-F37 HydrophobicContact CG1-CD2 4.23Å; V33-F37 HydrophobicContact CG1-CE2 4.12Å; V33-F37 VanDerWaalsContact O-CD2 3.25Å; V33-F37 WeakPolarHBondContact O-CD2 3.35Å; V34-F37 CarbonylContact O-C 3.6Å; V34-F37 PolarHBondContact O-N 3.2Å; R35-F37 PolarHBondContact O-N 2.94Å; F37-H39 PolarHBondContact O-N 3.26Å; F37-L40 HydrophobicContact CB-CD1 4.12Å; F37-L40 HydrophobicContact CD1-CD1 3.9Å; F37-L40 HydrophobicContact CG-CD1 4.45Å; F37-L40 VanDerWaalsContact O-CB 3.23Å; F37-L40 WeakPolarHBondContact O-CB 3.47Å; F37-L40 WeakPolarHBondContact O-CG 3.34Å; F37-L40 PolarHBondContact O-N 3.44Å; F37-I653 HydrophobicContact CB-CD1 4.45Å; F37-I653 HydrophobicContact CB-CG2 4.27Å
38V79Confident78.2Confident0 Ų047 Ų470%024%0.241CC..G310 helixtrans-56.9-32.3177.61680000112.9V34 R35 L40 L41 V558 I561 I653V34-V38 HydrophobicContact CG1-CG2 4.2Å; V34-V38 WeakPolarHBondContact O-CG2 3.23Å; V34-V38 PolarHBondContact O-N 3.32Å; R35-V38 PolarHBondContact O-N 3.39Å; V38-L40 PolarHBondContact O-N 3.03Å; V38-L40 VanDerWaalsContact O-N 3.12Å; V38-L41 WeakPolarHBondContact O-CB 3.44Å; V38-L41 PolarHBondContact O-N 3.47Å; V38-L41 VanDerWaalsContact O-N 3.07Å; V38-V558 HydrophobicContact CG1-CG1 3.68Å; V38-I561 HydrophobicContact CG1-CD1 4.47Å; V38-I561 HydrophobicContact CG2-CD1 3.39Å; V38-I561 HydrophobicContact CG2-CG1 3.97Å; V38-I653 HydrophobicContact CG2-CD1 4.41Å
39H76.8Confident77.8Confident104 Ų10447.6 Ų47.648%0.48124%0.241SC..G310 helixtrans-59.4-22.3175.870.8-83.4000113.1K36 F37 L41 D42K36-H39 PolarHBondContact O-CE1 3.39Å; K36-H39 PolarHBondContact O-ND1 3.36Å; F37-H39 PolarHBondContact O-N 3.26Å; H39-L41 PolarHBondContact O-N 3.38Å; H39-D42 WeakPolarHBondContact O-CB 3.43Å; H39-D42 PolarHBondContact O-N 3.39Å; H39-D42 VanDerWaalsContact O-N 3.14Å
40L75.6Confident77.5Confident51 Ų5148.2 Ų48.227%0.26724%0.244SC..G310 helixtrans-69-16.8177.3-63.6178.5000113.2F37 V38 D42 I653 R660F37-L40 HydrophobicContact CB-CD1 4.12Å; F37-L40 HydrophobicContact CD1-CD1 3.9Å; F37-L40 HydrophobicContact CG-CD1 4.45Å; F37-L40 VanDerWaalsContact O-CB 3.23Å; F37-L40 WeakPolarHBondContact O-CB 3.47Å; F37-L40 WeakPolarHBondContact O-CG 3.34Å; F37-L40 PolarHBondContact O-N 3.44Å; V38-L40 PolarHBondContact O-N 3.03Å; V38-L40 VanDerWaalsContact O-N 3.12Å; L40-D42 VanDerWaalsContact C-N 3.3Å; L40-I653 HydrophobicContact CB-CG2 4.2Å; L40-I653 HydrophobicContact CD1-CG2 4.15Å; L40-R660 PolarHBondContact O-NH1 3.32Å; L40-R660 PolarHBondContact O-NH2 3.08Å
41L73.3Confident77Confident33 Ų3346 Ų4617%0.17323%0.228CC..G310 helixtrans-73.9-19.8172.4-66.7171.4000112.6V38 H39 V558 I649 D652 I653 Q656V38-L41 WeakPolarHBondContact O-CB 3.44Å; V38-L41 PolarHBondContact O-N 3.47Å; V38-L41 VanDerWaalsContact O-N 3.07Å; H39-L41 PolarHBondContact O-N 3.38Å; L41-V558 HydrophobicContact CD1-CG1 4.27Å; L41-V558 HydrophobicContact CD1-CG2 3.94Å; L41-I649 HydrophobicContact CD1-CG2 4.31Å; L41-D652 HydrophobicContact CD2-CB 4.02Å; L41-I653 HydrophobicContact CD1-CG1 3.9Å; L41-I653 HydrophobicContact CD2-CB 4.47Å; L41-I653 HydrophobicContact CD2-CG1 3.89Å; L41-I653 HydrophobicContact CG-CG1 3.69Å; L41-Q656 HydrophobicContact CD2-CB 4.27Å
42D70.2Confident76.7Confident35 Ų3549.3 Ų49.319%0.18725%0.246CC..SBendtrans-70.2141.4179.3-68.9-26.8000111.3H39 L40 S44 R562 R592 R660H39-D42 WeakPolarHBondContact O-CB 3.43Å; H39-D42 PolarHBondContact O-N 3.39Å; H39-D42 VanDerWaalsContact O-N 3.14Å; L40-D42 VanDerWaalsContact C-N 3.3Å; D42-S44 PolarHBondContact O-N 3.07Å; D42-R562 IonicContact OD1-CZ 2.96Å; D42-R562 IonicContact OD1-NH1 3.14Å; D42-R562 IonicContact OD1-NH2 3.96Å; D42-R562 PolarHBondContact OD1-NH2 3.39Å; D42-R562 IonicContact OD2-CZ 2.71Å; D42-R562 IonicContact OD2-NH1 3.45Å; D42-R562 PolarHBondContact OD2-NH1 3.17Å; D42-R562 IonicContact OD2-NH2 3.22Å; D42-R562 PolarHBondContact OD2-NH2 2.92Å; D42-R592 IonicContact OD1-NH2 3.32Å; D42-R592 PolarHBondContact OD1-NH2 3.15Å; D42-R660 PolarHBondContact O-NH2 3.01Å
43H67.1Low76.6Confident35 Ų3550.3 Ų50.316%0.16224%0.244CC..PPolyproline II helixtrans-78.5121.9171.8-64.679.9000109F48 R595 Q656H43-F48 HydrophobicContact CB-CD2 4.34Å; H43-F48 HydrophobicContact CB-CE1 4.26Å; H43-F48 HydrophobicContact CB-CE2 3.58Å; H43-F48 HydrophobicContact CB-CZ 3.54Å; H43-R595 PolarHBondContact O-NH1 3.49Å; H43-R595 VanDerWaalsContact O-NH1 3.1Å; H43-Q656 PolarHBondContact NE2-NE2 3.33Å
44S70.3Confident76.3Confident47 Ų4750 Ų5033%0.32924%0.241SC..PPolyproline II helixtrans-78.7158173.565.50000111D42 Q46 D47 F48D42-S44 PolarHBondContact O-N 3.07Å; S44-Q46 PolarHBondContact O-N 3.23Å; S44-D47 WeakPolarHBondContact CB-OD2 3.48Å; S44-D47 PolarHBondContact N-OD2 2.98Å; S44-D47 WeakPolarHBondContact O-CA 3.42Å; S44-D47 VanDerWaalsContact O-CB 3.32Å; S44-D47 WeakPolarHBondContact O-CB 3.43Å; S44-D47 PolarHBondContact O-N 2.82Å; S44-D47 PolarHBondContact OG-N 3.39Å; S44-D47 VanDerWaalsContact OG-N 3.12Å; S44-D47 PolarHBondContact OG-OD2 3.35Å; S44-F48 WeakPolarHBondContact O-CD2 3.47Å; S44-F48 PolarHBondContact O-N 3.12Å; S44-F48 VanDerWaalsContact O-N 3.14Å
45D69.6Low75.9Confident103 Ų10352.2 Ų52.255%0.55125%0.252SS*.Hα-helixtrans-56.8-32.7174.6-62.2-25.3000111.7F48 Q49 R595D45-F48 PolarHBondContact O-N 3.43Å; D45-Q49 PolarHBondContact O-N 3.03Å; D45-R595 WeakPolarHBondContact OD1-CD 3.37Å; D45-R595 IonicContact OD1-CZ 2.73Å; D45-R595 IonicContact OD1-NE 3.15Å; D45-R595 PolarHBondContact OD1-NE 2.87Å
46Q75.1Confident75.7Confident111 Ų11154.3 Ų54.352%0.51926%0.26SS..Hα-helixtrans-64.8-42.4172-176.661.831.400112.4S44 F48 Q49 E50S44-Q46 PolarHBondContact O-N 3.23Å; Q46-F48 VanDerWaalsContact C-N 3.26Å; Q46-F48 PolarHBondContact O-N 3.44Å; Q46-Q49 PolarHBondContact O-N 3.02Å; Q46-E50 WeakPolarHBondContact CG-OE1 3.35Å; Q46-E50 PolarHBondContact NE2-OE1 2.69Å; Q46-E50 WeakPolarHBondContact O-CB 3.38Å; Q46-E50 WeakPolarHBondContact O-CG 3.03Å; Q46-E50 PolarHBondContact O-N 3.33Å
47D72.9Confident75.6Confident6 Ų650.4 Ų50.43%0.03224%0.243CC..Hα-helixtrans-60.3-38.4176.1-67.4-50.2000111.2S44 E51 R660 R663S44-D47 WeakPolarHBondContact CB-OD2 3.48Å; S44-D47 PolarHBondContact N-OD2 2.98Å; S44-D47 WeakPolarHBondContact O-CA 3.42Å; S44-D47 VanDerWaalsContact O-CB 3.32Å; S44-D47 WeakPolarHBondContact O-CB 3.43Å; S44-D47 PolarHBondContact O-N 2.82Å; S44-D47 PolarHBondContact OG-N 3.39Å; S44-D47 VanDerWaalsContact OG-N 3.12Å; S44-D47 PolarHBondContact OG-OD2 3.35Å; D47-E51 WeakPolarHBondContact O-CB 3.23Å; D47-E51 PolarHBondContact O-N 3.11Å; D47-R660 VanDerWaalsContact OD1-CD 3.25Å; D47-R660 WeakPolarHBondContact OD1-CD 3.42Å; D47-R660 WeakPolarHBondContact OD1-CG 3.25Å; D47-R660 IonicContact OD1-NE 3.7Å; D47-R660 PolarHBondContact OD1-NE 3.19Å; D47-R660 VanDerWaalsContact OD1-NE 3.12Å; D47-R660 IonicContact OD2-CZ 3.09Å; D47-R660 IonicContact OD2-NE 2.96Å; D47-R660 PolarHBondContact OD2-NE 2.6Å; D47-R660 IonicContact OD2-NH2 2.83Å; D47-R660 PolarHBondContact OD2-NH2 2.94Å; D47-R663 IonicContact OD1-NH1 3.36Å; D47-R663 PolarHBondContact OD1-NH1 3.44Å
48F71.6Confident75.3Confident45 Ų4551.1 Ų51.120%0.19725%0.245CC..Hα-helixtrans-67.3-44.1176.4-70.4-72.9000112.2H43 S44 D45 Q46 E51 L52 T599H43-F48 HydrophobicContact CB-CD2 4.34Å; H43-F48 HydrophobicContact CB-CE1 4.26Å; H43-F48 HydrophobicContact CB-CE2 3.58Å; H43-F48 HydrophobicContact CB-CZ 3.54Å; S44-F48 WeakPolarHBondContact O-CD2 3.47Å; S44-F48 PolarHBondContact O-N 3.12Å; S44-F48 VanDerWaalsContact O-N 3.14Å; D45-F48 PolarHBondContact O-N 3.43Å; Q46-F48 VanDerWaalsContact C-N 3.26Å; Q46-F48 PolarHBondContact O-N 3.44Å; F48-E51 PolarHBondContact O-N 3.37Å; F48-L52 WeakPolarHBondContact O-CB 3.24Å; F48-L52 PolarHBondContact O-N 3.31Å; F48-T599 HydrophobicContact CD1-CG2 4.35Å; F48-T599 HydrophobicContact CE1-CG2 4.28Å
49Q75.3Confident75.3Confident112 Ų11254.4 Ų54.452%0.52326%0.261SS..Hα-helixtrans-64.1-42.5178.5-17164.614.600111.6D45 Q46 L52 E53D45-Q49 PolarHBondContact O-N 3.03Å; Q46-Q49 PolarHBondContact O-N 3.02Å; Q49-L52 PolarHBondContact O-N 3.17Å; Q49-E53 PolarHBondContact O-N 2.89Å
50E79.1Confident75.4Confident13 Ų1351.8 Ų51.86%0.06125%0.249CC..Hα-helixtrans-61.3-42.7175.3-73173.3-168.600111.4Q46 E53 L54 K664 L667Q46-E50 WeakPolarHBondContact CG-OE1 3.35Å; Q46-E50 PolarHBondContact NE2-OE1 2.69Å; Q46-E50 WeakPolarHBondContact O-CB 3.38Å; Q46-E50 WeakPolarHBondContact O-CG 3.03Å; Q46-E50 PolarHBondContact O-N 3.33Å; E50-E53 PolarHBondContact O-N 3.19Å; E50-L54 WeakPolarHBondContact O-CB 3.49Å; E50-L54 PolarHBondContact O-N 2.97Å; E50-K664 WeakPolarHBondContact OE1-CE 3.5Å; E50-K664 IonicContact OE1-NZ 2.71Å; E50-K664 PolarHBondContact OE1-NZ 2.99Å; E50-K664 VanDerWaalsContact OE2-CE 3.3Å; E50-K664 WeakPolarHBondContact OE2-CE 3.38Å; E50-L667 HydrophobicContact CB-CD1 4.39Å
51E74.8Confident75.7Confident20 Ų2049.5 Ų49.59%0.09324%0.237CC..Hα-helixtrans-65.3-39.1177.3-16876.5-156.900112D47 F48 L54 M55 T456 M603 R663D47-E51 WeakPolarHBondContact O-CB 3.23Å; D47-E51 PolarHBondContact O-N 3.11Å; F48-E51 PolarHBondContact O-N 3.37Å; E51-L54 PolarHBondContact O-N 2.93Å; E51-M55 WeakPolarHBondContact O-CG 3.4Å; E51-M55 PolarHBondContact O-N 2.91Å; E51-T456 HydrophobicContact CG-CG2 4.24Å; E51-T456 PolarHBondContact OE1-OG1 3.45Å; E51-M603 HydrophobicContact CB-CE 3.71Å; E51-M603 HydrophobicContact CG-CE 3.76Å; E51-R663 IonicContact OE2-CZ 3.78Å; E51-R663 IonicContact OE2-NE 3.87Å; E51-R663 PolarHBondContact OE2-NE 2.89Å; E51-R663 IonicContact OE2-NH2 3.84Å; E51-R663 PolarHBondContact OE2-NH2 3.48Å
52L75.3Confident75.8Confident72 Ų7248 Ų4838%0.37723%0.229SC..Hα-helixtrans-67.4-42.2177.2-174131.9000111.9F48 Q49 L54 M55 R56 P600 M603F48-L52 WeakPolarHBondContact O-CB 3.24Å; F48-L52 PolarHBondContact O-N 3.31Å; Q49-L52 PolarHBondContact O-N 3.17Å; L52-L54 VanDerWaalsContact C-N 3.31Å; L52-M55 PolarHBondContact O-N 3.09Å; L52-R56 PolarHBondContact O-N 3.07Å; L52-R56 VanDerWaalsContact O-N 3.09Å; L52-P600 HydrophobicContact CD1-CG 4.34Å; L52-M603 HydrophobicContact CB-CE 4.19Å; L52-M603 HydrophobicContact CB-SD 4.14Å; L52-M603 HydrophobicContact CD1-SD 3.87Å
53E81.8Confident76.2Confident60 Ų6047.6 Ų47.628%0.2823%0.228SC..Hα-helixtrans-62.8-41.4173.2-171.4-179.5172.300111.1Q49 E50 R56 L57 L667 Q671Q49-E53 PolarHBondContact O-N 2.89Å; E50-E53 PolarHBondContact O-N 3.19Å; E53-R56 PolarHBondContact O-N 3.14Å; E53-L57 HydrophobicContact CG-CD1 3.98Å; E53-L57 HydrophobicContact CG-CG 4.4Å; E53-L57 WeakPolarHBondContact O-CB 3.46Å; E53-L57 WeakPolarHBondContact O-CG 2.77Å; E53-L57 PolarHBondContact O-N 3.12Å; E53-L667 HydrophobicContact CB-CD1 4.3Å; E53-L667 HydrophobicContact CG-CD1 4.38Å; E53-Q671 PolarHBondContact OE1-NE2 3.19Å
54L79.3Confident76.6Confident2 Ų247.2 Ų47.21%0.0123%0.227CC..Hα-helixtrans-63.7-44.3179-159.7161.5000111.3E50 E51 L52 R56 L57 R58 R663 E666 L670E50-L54 WeakPolarHBondContact O-CB 3.49Å; E50-L54 PolarHBondContact O-N 2.97Å; E51-L54 PolarHBondContact O-N 2.93Å; L52-L54 VanDerWaalsContact C-N 3.31Å; L54-R56 PolarHBondContact O-N 2.93Å; L54-L57 PolarHBondContact O-N 3.4Å; L54-R58 HydrophobicContact CD2-CG 3.96Å; L54-R58 VanDerWaalsContact CD2-NH2 3.25Å; L54-R58 WeakPolarHBondContact O-CG 3.39Å; L54-R58 PolarHBondContact O-N 3.23Å; L54-R663 HydrophobicContact CD1-CG 3.53Å; L54-E666 HydrophobicContact CD1-CB 4.46Å; L54-E666 HydrophobicContact CD1-CG 4.43Å; L54-L670 HydrophobicContact CD2-CD1 4.18Å; L54-L670 HydrophobicContact CG-CD1 4.26Å
55M74Confident76.9Confident48 Ų4845.5 Ų45.524%0.23621%0.214CC..Hα-helixtrans-57.5-47.2172.7-75.6-163.4-179.200112.1E51 L52 R58 E59 T456E51-M55 WeakPolarHBondContact O-CG 3.4Å; E51-M55 PolarHBondContact O-N 2.91Å; L52-M55 PolarHBondContact O-N 3.09Å; M55-R58 PolarHBondContact O-N 2.87Å; M55-E59 PolarHBondContact O-N 2.65Å; M55-E59 VanDerWaalsContact O-N 3.16Å; M55-T456 HydrophobicContact CE-CG2 3.17Å
56R81.4Confident77.1Confident128 Ų12842 Ų4248%0.48319%0.193SC..Hα-helixtrans-61.6-45.2179.3-169.7-172.274.4792111.7L52 E53 L54 E59 E60L52-R56 PolarHBondContact O-N 3.07Å; L52-R56 VanDerWaalsContact O-N 3.09Å; E53-R56 PolarHBondContact O-N 3.14Å; L54-R56 PolarHBondContact O-N 2.93Å; R56-E59 PolarHBondContact O-N 3.28Å; R56-E60 IonicContact CZ-OE2 3.39Å; R56-E60 IonicContact NH1-OE2 2.68Å; R56-E60 PolarHBondContact NH1-OE2 3.27Å; R56-E60 IonicContact NH2-OE2 3.96Å; R56-E60 WeakPolarHBondContact O-CB 3.44Å; R56-E60 PolarHBondContact O-N 3.33Å
57L81.2Confident77.2Confident6 Ų638.8 Ų38.83%0.03118%0.183CC..Hα-helixtrans-66.7-36.2179-76.7170.4000112.3E53 L54 E60 V61 L667 L670 Q671E53-L57 HydrophobicContact CG-CD1 3.98Å; E53-L57 HydrophobicContact CG-CG 4.4Å; E53-L57 WeakPolarHBondContact O-CB 3.46Å; E53-L57 WeakPolarHBondContact O-CG 2.77Å; E53-L57 PolarHBondContact O-N 3.12Å; L54-L57 PolarHBondContact O-N 3.4Å; L57-E60 PolarHBondContact O-N 3.47Å; L57-V61 WeakPolarHBondContact O-CB 3.25Å; L57-V61 VanDerWaalsContact O-CG2 3.26Å; L57-V61 WeakPolarHBondContact O-CG2 3.3Å; L57-V61 PolarHBondContact O-N 3.33Å; L57-L667 HydrophobicContact CD1-CG 4.27Å; L57-L670 HydrophobicContact CB-CB 4.41Å; L57-Q671 HydrophobicContact CD1-CG 3.58Å; L57-Q671 HydrophobicContact CD2-CG 4.35Å
58R78.5Confident77.4Confident42 Ų4238.7 Ų38.716%0.15818%0.182CC..Hα-helixtrans-61.7-46.4174.9-77.9178.9178.9156.23.8111.4L54 M55 V61 V62 E666 L670L54-R58 HydrophobicContact CD2-CG 3.96Å; L54-R58 VanDerWaalsContact CD2-NH2 3.25Å; L54-R58 WeakPolarHBondContact O-CG 3.39Å; L54-R58 PolarHBondContact O-N 3.23Å; M55-R58 PolarHBondContact O-N 2.87Å; R58-V61 PolarHBondContact O-N 3.43Å; R58-V62 WeakPolarHBondContact O-CG2 3.49Å; R58-V62 PolarHBondContact O-N 3Å; R58-E666 IonicContact CZ-OE1 2.98Å; R58-E666 IonicContact NE-OE1 2.86Å; R58-E666 PolarHBondContact NE-OE1 3.48Å; R58-E666 IonicContact NH2-OE1 2.69Å; R58-E666 PolarHBondContact NH2-OE1 3.2Å; R58-E666 IonicContact NH2-OE2 3.21Å; R58-E666 PolarHBondContact NH2-OE2 3.23Å; R58-L670 HydrophobicContact CG-CD1 3.71Å
59E78.1Confident77.5Confident70 Ų7039.6 Ų39.633%0.32719%0.187SC..Hα-helixtrans-57.7-50.1174.3-173.6173.5-17400110.9M55 R56 V61 V62 T63 Y461M55-E59 PolarHBondContact O-N 2.65Å; M55-E59 VanDerWaalsContact O-N 3.16Å; R56-E59 PolarHBondContact O-N 3.28Å; E59-V61 PolarHBondContact O-N 2.97Å; E59-V62 PolarHBondContact O-N 3.32Å; E59-T63 VanDerWaalsContact O-CG2 3.27Å; E59-T63 WeakPolarHBondContact O-CG2 3.3Å; E59-T63 PolarHBondContact O-N 2.97Å; E59-T63 PolarHBondContact O-OG1 3.07Å; E59-Y461 HydrophobicContact CB-CE1 3.97Å; E59-Y461 HydrophobicContact CB-CE2 4.33Å; E59-Y461 HydrophobicContact CG-CD1 4.18Å; E59-Y461 HydrophobicContact CG-CE1 3.58Å
60E79.8Confident77.5Confident48 Ų4836.7 Ų36.722%0.22417%0.174CC..Hα-helixtrans-60.8-41.7179.9-158.7-179.6148.700112.3R56 L57 T63 N64 N674R56-E60 IonicContact CZ-OE2 3.39Å; R56-E60 IonicContact NH1-OE2 2.68Å; R56-E60 PolarHBondContact NH1-OE2 3.27Å; R56-E60 IonicContact NH2-OE2 3.96Å; R56-E60 WeakPolarHBondContact O-CB 3.44Å; R56-E60 PolarHBondContact O-N 3.33Å; L57-E60 PolarHBondContact O-N 3.47Å; E60-T63 WeakPolarHBondContact CA-OG1 3.46Å; E60-T63 PolarHBondContact O-OG1 3.3Å; E60-N64 WeakPolarHBondContact O-CB 3.27Å; E60-N64 PolarHBondContact O-N 3.38Å; E60-N64 PolarHBondContact O-ND2 2.99Å; E60-N674 VanDerWaalsContact CD-ND2 3.32Å; E60-N674 PolarHBondContact OE1-ND2 3.36Å
61V80.3Confident77.3Confident4 Ų436.5 Ų36.52%0.02417%0.173CC..Hα-helixtrans-65.9-45.6178166.40000111.7L57 R58 E59 N64 I65 L670 T673 N674 L677L57-V61 WeakPolarHBondContact O-CB 3.25Å; L57-V61 VanDerWaalsContact O-CG2 3.26Å; L57-V61 WeakPolarHBondContact O-CG2 3.3Å; L57-V61 PolarHBondContact O-N 3.33Å; R58-V61 PolarHBondContact O-N 3.43Å; E59-V61 PolarHBondContact O-N 2.97Å; V61-N64 PolarHBondContact O-N 3Å; V61-I65 HydrophobicContact CG1-CD1 3.78Å; V61-I65 HydrophobicContact CG1-CG1 4.38Å; V61-I65 WeakPolarHBondContact O-CB 3.24Å; V61-I65 VanDerWaalsContact O-CG1 3.24Å; V61-I65 WeakPolarHBondContact O-CG1 3.48Å; V61-I65 PolarHBondContact O-N 3.31Å; V61-L670 HydrophobicContact CG2-CD2 4.23Å; V61-T673 HydrophobicContact CG1-CG2 4.21Å; V61-N674 HydrophobicContact CG2-CB 3.79Å; V61-L677 HydrophobicContact CB-CD1 4.49Å; V61-L677 HydrophobicContact CG1-CD1 4Å
62V75.8Confident77.2Confident0 Ų038.5 Ų38.50%018%0.183CC..Hα-helixtrans-64.8-45.9-179.4173.40000110.7R58 E59 N64 I65 R66 N176 Y177 Y461R58-V62 WeakPolarHBondContact O-CG2 3.49Å; R58-V62 PolarHBondContact O-N 3Å; E59-V62 PolarHBondContact O-N 3.32Å; V62-N64 PolarHBondContact O-N 2.6Å; V62-I65 PolarHBondContact O-N 3.11Å; V62-R66 PolarHBondContact O-N 3.08Å; V62-R66 VanDerWaalsContact O-N 3.16Å; V62-N176 HydrophobicContact CG2-CB 4.05Å; V62-Y177 HydrophobicContact CG1-CD2 4.49Å; V62-Y461 HydrophobicContact CB-CD2 4.37Å; V62-Y461 HydrophobicContact CG1-CD2 4.35Å; V62-Y461 HydrophobicContact CG2-CD2 4.43Å
63T77.9Confident77Confident27 Ų2738.4 Ų38.417%0.16618%0.182CC..Hα-helixtrans-61.4-43.5176.655.80000111.7E59 E60 R66 S67E59-T63 VanDerWaalsContact O-CG2 3.27Å; E59-T63 WeakPolarHBondContact O-CG2 3.3Å; E59-T63 PolarHBondContact O-N 2.97Å; E59-T63 PolarHBondContact O-OG1 3.07Å; E60-T63 WeakPolarHBondContact CA-OG1 3.46Å; E60-T63 PolarHBondContact O-OG1 3.3Å; T63-R66 PolarHBondContact O-N 3.44Å; T63-S67 WeakPolarHBondContact O-CB 2.96Å; T63-S67 PolarHBondContact O-N 3.03Å
64N76Confident76.4Confident27 Ų2736.6 Ų36.614%0.14418%0.175CC..Hα-helixtrans-66.8-38.6177.2-77.7-24.1000113.3E60 V61 V62 R66 S67 N68 N674 L677 N678E60-N64 WeakPolarHBondContact O-CB 3.27Å; E60-N64 PolarHBondContact O-N 3.38Å; E60-N64 PolarHBondContact O-ND2 2.99Å; V61-N64 PolarHBondContact O-N 3Å; V62-N64 PolarHBondContact O-N 2.6Å; N64-R66 VanDerWaalsContact C-N 3.32Å; N64-R66 PolarHBondContact O-N 2.94Å; N64-S67 PolarHBondContact O-N 2.88Å; N64-N68 VanDerWaalsContact O-CB 3.3Å; N64-N68 WeakPolarHBondContact O-CB 3.11Å; N64-N68 PolarHBondContact O-N 3.26Å; N64-N674 PolarHBondContact ND2-OD1 2.91Å; N64-L677 HydrophobicContact CB-CB 4.1Å; N64-L677 HydrophobicContact CB-CD1 4.05Å; N64-N678 PolarHBondContact ND2-OD1 3.45Å
65I76.9Confident76Confident12 Ų1236.7 Ų36.76%0.06218%0.175CC..Hα-helixtrans-57.6-48.1174-74167.8000109.8V61 V62 N68 Q69 Y177 A227 L677V61-I65 HydrophobicContact CG1-CD1 3.78Å; V61-I65 HydrophobicContact CG1-CG1 4.38Å; V61-I65 WeakPolarHBondContact O-CB 3.24Å; V61-I65 VanDerWaalsContact O-CG1 3.24Å; V61-I65 WeakPolarHBondContact O-CG1 3.48Å; V61-I65 PolarHBondContact O-N 3.31Å; V62-I65 PolarHBondContact O-N 3.11Å; I65-N68 PolarHBondContact O-N 3.02Å; I65-Q69 WeakPolarHBondContact O-CG 3.34Å; I65-Q69 PolarHBondContact O-N 3.48Å; I65-Y177 HydrophobicContact CG2-CD1 3.92Å; I65-Y177 HydrophobicContact CG2-CD2 4.33Å; I65-Y177 HydrophobicContact CG2-CE1 3.94Å; I65-Y177 HydrophobicContact CG2-CE2 4.36Å; I65-Y177 HydrophobicContact CG2-CG 4.11Å; I65-A227 HydrophobicContact CG1-CB 4.27Å; I65-L677 HydrophobicContact CD1-CD1 4.41Å; I65-L677 HydrophobicContact CG1-CD1 3.65Å; I65-L677 HydrophobicContact CG1-CD2 3.86Å; I65-L677 HydrophobicContact CG1-CG 4.42Å
66R74Confident75.7Confident29 Ų2938.1 Ų38.111%0.10918%0.184CC..Hα-helixtrans-65.7-47.3-179.9-74.6-175.6174.8155.18.7112.9V62 T63 N64 N68 Q69 Q70 T173 Y177 Y461 E525V62-R66 PolarHBondContact O-N 3.08Å; V62-R66 VanDerWaalsContact O-N 3.16Å; T63-R66 PolarHBondContact O-N 3.44Å; N64-R66 VanDerWaalsContact C-N 3.32Å; N64-R66 PolarHBondContact O-N 2.94Å; R66-N68 VanDerWaalsContact C-N 3.25Å; R66-N68 PolarHBondContact O-N 2.91Å; R66-Q69 PolarHBondContact O-N 3.38Å; R66-Q70 PolarHBondContact O-N 3.48Å; R66-T173 PolarHBondContact NH2-OG1 3.39Å; R66-Y177 HydrophobicContact CG-CE2 4.11Å; R66-Y461 VanDerWaalsContact CZ-O 3.27Å; R66-Y461 PolarHBondContact NH1-O 3.4Å; R66-Y461 VanDerWaalsContact NH1-O 3.07Å; R66-Y461 PolarHBondContact NH2-O 2.95Å; R66-E525 IonicContact NH1-OE1 2.97Å; R66-E525 PolarHBondContact NH1-OE1 3.21Å; R66-E525 VanDerWaalsContact NH1-OE1 3.15Å
67S77.1Confident75Confident43 Ų4336 Ų3630%0.30118%0.182SC..Hα-helixtrans-55.6-45.3176.7-176.30000110.5T63 N64 Q70 L71T63-S67 WeakPolarHBondContact O-CB 2.96Å; T63-S67 PolarHBondContact O-N 3.03Å; N64-S67 PolarHBondContact O-N 2.88Å; S67-Q70 PolarHBondContact O-N 2.85Å; S67-L71 WeakPolarHBondContact O-CG 3.38Å; S67-L71 PolarHBondContact O-N 2.84Å
68N77.8Confident74.3Confident4 Ų435.8 Ų35.82%0.02118%0.181CC..Hα-helixtrans-65.8-42.4176.1-78.9-20000113.4N64 I65 R66 Q70 L71 E72 L677 T681 Y684N64-N68 VanDerWaalsContact O-CB 3.3Å; N64-N68 WeakPolarHBondContact O-CB 3.11Å; N64-N68 PolarHBondContact O-N 3.26Å; I65-N68 PolarHBondContact O-N 3.02Å; R66-N68 VanDerWaalsContact C-N 3.25Å; R66-N68 PolarHBondContact O-N 2.91Å; N68-Q70 VanDerWaalsContact C-N 3.27Å; N68-Q70 PolarHBondContact O-N 3.45Å; N68-L71 PolarHBondContact O-N 3.09Å; N68-E72 VanDerWaalsContact O-CB 3.29Å; N68-E72 WeakPolarHBondContact O-CB 3.2Å; N68-E72 PolarHBondContact O-N 2.84Å; N68-L677 PolarHBondContact ND2-O 2.91Å; N68-T681 PolarHBondContact ND2-OG1 3.31Å; N68-T681 WeakPolarHBondContact OD1-CA 3.34Å; N68-T681 PolarHBondContact OD1-OG1 3.43Å; N68-Y684 HydrophobicContact CB-CE2 4.27Å
69Q73.6Confident73.6Confident65 Ų6536.5 Ų36.530%0.30419%0.187SC..Hα-helixtrans-61.5-37.2174.4-76.8-178.1-14.100111.9I65 R66 N73 Y177I65-Q69 WeakPolarHBondContact O-CG 3.34Å; I65-Q69 PolarHBondContact O-N 3.48Å; R66-Q69 PolarHBondContact O-N 3.38Å; Q69-N73 PolarHBondContact O-N 3.41Å; Q69-N73 VanDerWaalsContact O-N 3.08Å; Q69-N73 PolarHBondContact O-ND2 3.48Å; Q69-Y177 PolarHBondContact OE1-OH 3.16Å
70Q74.3Confident72.9Confident51 Ų5138 Ų3824%0.23820%0.197CC..Hα-helixtrans-68.7-46.4176.1-163.8-169.3-5700111.1R66 S67 N68 E72 N73 D74R66-Q70 PolarHBondContact O-N 3.48Å; S67-Q70 PolarHBondContact O-N 2.85Å; N68-Q70 VanDerWaalsContact C-N 3.27Å; N68-Q70 PolarHBondContact O-N 3.45Å; Q70-E72 VanDerWaalsContact C-N 3.31Å; Q70-E72 PolarHBondContact O-N 2.85Å; Q70-N73 PolarHBondContact O-N 3.36Å; Q70-D74 WeakPolarHBondContact O-CB 3.39Å; Q70-D74 PolarHBondContact O-N 3.5Å
71L74.8Confident72Confident9 Ų938.4 Ų38.45%0.04720%0.198CC..Hα-helixtrans-57.7-44.4175.7-75.4171.7000111.5S67 N68 D74 L75 N106 T681 Y684 I688S67-L71 WeakPolarHBondContact O-CG 3.38Å; S67-L71 PolarHBondContact O-N 2.84Å; N68-L71 PolarHBondContact O-N 3.09Å; L71-D74 PolarHBondContact O-N 3.37Å; L71-L75 VanDerWaalsContact O-CB 3.28Å; L71-L75 WeakPolarHBondContact O-CB 3.48Å; L71-L75 VanDerWaalsContact O-CG 3.25Å; L71-L75 WeakPolarHBondContact O-CG 3.48Å; L71-L75 PolarHBondContact O-N 2.9Å; L71-N106 WeakPolarHBondContact CD2-OD1 3.44Å; L71-T681 HydrophobicContact CD1-CG2 4.12Å; L71-Y684 HydrophobicContact CB-CD2 3.82Å; L71-Y684 HydrophobicContact CB-CE2 4.47Å; L71-Y684 HydrophobicContact CB-CG 4.35Å; L71-Y684 HydrophobicContact CD1-CD2 4.33Å; L71-I688 HydrophobicContact CD2-CD1 4.02Å
72E73.8Confident71.2Confident62 Ų6239.1 Ų39.129%0.2920%0.201SC..Hα-helixtrans-61.1-44.6177.5-172.8176.9176.400112N68 Q70 L75 N76 Y684N68-E72 VanDerWaalsContact O-CB 3.29Å; N68-E72 WeakPolarHBondContact O-CB 3.2Å; N68-E72 PolarHBondContact O-N 2.84Å; Q70-E72 VanDerWaalsContact C-N 3.31Å; Q70-E72 PolarHBondContact O-N 2.85Å; E72-L75 PolarHBondContact O-N 3.39Å; E72-N76 WeakPolarHBondContact O-CB 3.44Å; E72-N76 VanDerWaalsContact O-CG 3.3Å; E72-N76 PolarHBondContact O-N 3.34Å; E72-N76 PolarHBondContact O-ND2 2.94Å; E72-Y684 HydrophobicContact CB-CE2 4.04Å; E72-Y684 WeakPolarHBondContact CB-OH 3.36Å; E72-Y684 VanDerWaalsContact CD-OH 3.32Å; E72-Y684 WeakPolarHBondContact CG-OH 3.24Å; E72-Y684 PolarHBondContact OE2-OH 2.75Å
73N70.1Confident70.2Confident70 Ų7040.7 Ų40.737%0.37422%0.217SC..Hα-helixtrans-65.5-44175.6-76.1-58.8000111.8Q69 Q70 L75 N76 L77 K165Q69-N73 PolarHBondContact O-N 3.41Å; Q69-N73 VanDerWaalsContact O-N 3.08Å; Q69-N73 PolarHBondContact O-ND2 3.48Å; Q70-N73 PolarHBondContact O-N 3.36Å; N73-L75 VanDerWaalsContact C-N 3.3Å; N73-L75 PolarHBondContact O-N 2.98Å; N73-N76 PolarHBondContact O-N 2.93Å; N73-L77 WeakPolarHBondContact O-CG 3.38Å; N73-L77 PolarHBondContact O-N 3.41Å; N73-K165 PolarHBondContact OD1-NZ 2.99Å
74D70.4Confident69Low22 Ų2242.2 Ų42.212%0.11822%0.224CC..Hα-helixtrans-65.3-35.9178.9-71.8-19000110.6Q70 L71 M78 H98 L102 K105Q70-D74 WeakPolarHBondContact O-CB 3.39Å; Q70-D74 PolarHBondContact O-N 3.5Å; L71-D74 PolarHBondContact O-N 3.37Å; D74-M78 PolarHBondContact O-N 3.39Å; D74-H98 PolarHBondContact O-CE1 2.72Å; D74-L102 HydrophobicContact CB-CD2 3.5Å; D74-L102 HydrophobicContact CB-CG 4.42Å; D74-K105 IonicContact OD2-NZ 2.63Å; D74-K105 PolarHBondContact OD2-NZ 3.15Å
75L70.9Confident68.1Low4 Ų442 Ų422%0.02122%0.223CC..Hα-helixtrans-68.6-45173.9-78.1174000112.5L71 E72 N73 L77 M78 D79 Y684 Q687 I688 Y691L71-L75 VanDerWaalsContact O-CB 3.28Å; L71-L75 WeakPolarHBondContact O-CB 3.48Å; L71-L75 VanDerWaalsContact O-CG 3.25Å; L71-L75 WeakPolarHBondContact O-CG 3.48Å; L71-L75 PolarHBondContact O-N 2.9Å; E72-L75 PolarHBondContact O-N 3.39Å; N73-L75 VanDerWaalsContact C-N 3.3Å; N73-L75 PolarHBondContact O-N 2.98Å; L75-L77 VanDerWaalsContact C-N 3.28Å; L75-L77 PolarHBondContact O-N 3.2Å; L75-M78 CarbonylContact O-C 3.53Å; L75-M78 WeakPolarHBondContact O-CA 3.38Å; L75-M78 WeakPolarHBondContact O-CB 3.35Å; L75-M78 PolarHBondContact O-N 3.05Å; L75-D79 PolarHBondContact O-N 3.08Å; L75-Y684 HydrophobicContact CD1-CD1 3.38Å; L75-Y684 HydrophobicContact CD1-CE1 4.15Å; L75-Y684 HydrophobicContact CD1-CG 3.67Å; L75-Q687 HydrophobicContact CD1-CB 4.49Å; L75-I688 HydrophobicContact CD2-CD1 4.34Å; L75-I688 HydrophobicContact CD2-CG1 3.45Å; L75-I688 VanDerWaalsContact CD2-CG1 3.45Å; L75-I688 HydrophobicContact CG-CG1 4.24Å; L75-Y691 HydrophobicContact CD2-CD2 3.86Å; L75-Y691 HydrophobicContact CD2-CE2 3.73Å
76N67.8Low67.1Low77 Ų7744.6 Ų44.641%0.41224%0.239SC..Hα-helixtrans-58.7-40.4174.6-79.6-48.3000111.9E72 N73 M78 D79 I80E72-N76 WeakPolarHBondContact O-CB 3.44Å; E72-N76 VanDerWaalsContact O-CG 3.3Å; E72-N76 PolarHBondContact O-N 3.34Å; E72-N76 PolarHBondContact O-ND2 2.94Å; N73-N76 PolarHBondContact O-N 2.93Å; N76-M78 VanDerWaalsContact C-N 3.29Å; N76-M78 PolarHBondContact O-N 2.9Å; N76-D79 PolarHBondContact O-N 3.49Å; N76-I80 VanDerWaalsContact O-CG1 3.29Å; N76-I80 WeakPolarHBondContact O-CG1 3.2Å; N76-I80 PolarHBondContact O-N 3.31Å
77L65.9Low65.8Low85 Ų8550.4 Ų50.445%0.44527%0.265SS..Hα-helixtrans-64.2-36.3173.3-72.9174000111.9N73 L75 K81N73-L77 WeakPolarHBondContact O-CG 3.38Å; N73-L77 PolarHBondContact O-N 3.41Å; L75-L77 VanDerWaalsContact C-N 3.28Å; L75-L77 PolarHBondContact O-N 3.2Å; L77-K81 WeakPolarHBondContact O-CB 3.46Å; L77-K81 VanDerWaalsContact O-CG 3.29Å; L77-K81 WeakPolarHBondContact O-CG 3.33Å; L77-K81 PolarHBondContact O-N 2.97Å
78M66.4Low64.4Low1 Ų153.8 Ų53.81%0.00528%0.28CS..Hα-helixtrans-65.4-43.9175.2-162.864.4174.800111.7D74 L75 N76 K81 I82 V95 H98 L102 Y691 I695D74-M78 PolarHBondContact O-N 3.39Å; L75-M78 CarbonylContact O-C 3.53Å; L75-M78 WeakPolarHBondContact O-CA 3.38Å; L75-M78 WeakPolarHBondContact O-CB 3.35Å; L75-M78 PolarHBondContact O-N 3.05Å; N76-M78 VanDerWaalsContact C-N 3.29Å; N76-M78 PolarHBondContact O-N 2.9Å; M78-K81 PolarHBondContact O-N 3.48Å; M78-I82 HydrophobicContact CE-CD1 4.39Å; M78-I82 HydrophobicContact CG-CD1 4.07Å; M78-I82 WeakPolarHBondContact O-CB 3.46Å; M78-I82 WeakPolarHBondContact O-CG1 3.07Å; M78-I82 PolarHBondContact O-N 2.94Å; M78-V95 HydrophobicContact CE-CG1 3.8Å; M78-V95 HydrophobicContact SD-CG1 4.4Å; M78-H98 HydrophobicContact SD-CB 4.07Å; M78-H98 PolarHBondContact SD-ND1 2.81Å; M78-L102 HydrophobicContact CB-CD1 4.24Å; M78-L102 HydrophobicContact CG-CD1 4.16Å; M78-L102 HydrophobicContact SD-CD1 3.99Å; M78-Y691 HydrophobicContact CG-CD2 4.06Å; M78-Y691 HydrophobicContact CG-CG 4.38Å; M78-I695 HydrophobicContact CE-CD1 3.23Å
79D63.3Low62.6Low57 Ų5761.1 Ų61.131%0.30531%0.311SS..Hα-helixtrans-60.8-45.3174.9-84.1-39.3000112.2L75 N76 K81 I82 G83 Y691L75-D79 PolarHBondContact O-N 3.08Å; N76-D79 PolarHBondContact O-N 3.49Å; D79-K81 VanDerWaalsContact C-N 3.31Å; D79-K81 PolarHBondContact O-N 3.37Å; D79-I82 PolarHBondContact O-N 3.34Å; D79-G83 PolarHBondContact O-N 2.99Å; D79-Y691 WeakPolarHBondContact OD1-CE1 3.31Å; D79-Y691 PolarHBondContact OD1-OH 3.48Å; D79-Y691 PolarHBondContact OD2-OH 3.11Å; D79-Y691 VanDerWaalsContact OD2-OH 3.06Å
80I63.1Low61.3Low102 Ų10259.7 Ų59.752%0.52331%0.305SS..Hα-helixtrans-59.3-45.9174.8-68.3165000109.9N76 G83 L84N76-I80 VanDerWaalsContact O-CG1 3.29Å; N76-I80 WeakPolarHBondContact O-CG1 3.2Å; N76-I80 PolarHBondContact O-N 3.31Å; I80-G83 PolarHBondContact O-N 3.34Å; I80-L84 HydrophobicContact CG2-CD1 3.88Å; I80-L84 HydrophobicContact CG2-CG 4.33Å; I80-L84 WeakPolarHBondContact O-CB 3.38Å; I80-L84 VanDerWaalsContact O-CG 3.24Å; I80-L84 WeakPolarHBondContact O-CG 3.38Å; I80-L84 PolarHBondContact O-N 3.3Å
81K61.7Low60.4Low56 Ų5660.9 Ų60.924%0.24332%0.316CS..Hα-helixtrans-64.9-44.7179.2-77.9178.5177.7-179.80112.3L77 M78 D79 G83 L84 L85 I90 V95 H98L77-K81 WeakPolarHBondContact O-CB 3.46Å; L77-K81 VanDerWaalsContact O-CG 3.29Å; L77-K81 WeakPolarHBondContact O-CG 3.33Å; L77-K81 PolarHBondContact O-N 2.97Å; M78-K81 PolarHBondContact O-N 3.48Å; D79-K81 VanDerWaalsContact C-N 3.31Å; D79-K81 PolarHBondContact O-N 3.37Å; K81-G83 VanDerWaalsContact C-N 3.32Å; K81-G83 PolarHBondContact O-N 3.36Å; K81-L84 PolarHBondContact O-N 3.34Å; K81-L85 WeakPolarHBondContact O-CB 3.09Å; K81-L85 PolarHBondContact O-N 2.99Å; K81-I90 HydrophobicContact CB-CD1 3.73Å; K81-I90 HydrophobicContact CG-CD1 3.91Å; K81-I90 WeakPolarHBondContact O-CD1 3.46Å; K81-V95 HydrophobicContact CB-CG2 4.29Å; K81-H98 HydrophobicContact CD-CB 4.17Å; K81-H98 PolarHBondContact NZ-CD2 2.64Å
82I63.5Low59.6Low19 Ų1961.8 Ų61.810%0.09732%0.321CS..Hα-helixtrans-61.7-43.6175-69.3169.8000109.9M78 D79 L84 L85 V86 V95 Y691 Y694M78-I82 HydrophobicContact CE-CD1 4.39Å; M78-I82 HydrophobicContact CG-CD1 4.07Å; M78-I82 WeakPolarHBondContact O-CB 3.46Å; M78-I82 WeakPolarHBondContact O-CG1 3.07Å; M78-I82 PolarHBondContact O-N 2.94Å; D79-I82 PolarHBondContact O-N 3.34Å; I82-L84 VanDerWaalsContact C-N 3.32Å; I82-L84 PolarHBondContact O-N 3.49Å; I82-L85 WeakPolarHBondContact O-CB 3.1Å; I82-L85 PolarHBondContact O-N 3.21Å; I82-V86 WeakPolarHBondContact O-CG2 3.43Å; I82-V86 PolarHBondContact O-N 2.93Å; I82-V95 HydrophobicContact CG1-CG1 4.04Å; I82-Y691 HydrophobicContact CD1-CD1 3.37Å; I82-Y691 HydrophobicContact CD1-CE1 3.94Å; I82-Y691 HydrophobicContact CD1-CG 3.78Å; I82-Y694 HydrophobicContact CG2-CD1 4.42Å; I82-Y694 HydrophobicContact CG2-CE1 3.93Å
83G55.7Low58.9Low32 Ų3266.4 Ų66.433%0.3334%0.343SS..Hα-helixtrans-61.2-38.117500000113.3D79 I80 K81 K87D79-G83 PolarHBondContact O-N 2.99Å; I80-G83 PolarHBondContact O-N 3.34Å; K81-G83 VanDerWaalsContact C-N 3.32Å; K81-G83 PolarHBondContact O-N 3.36Å; G83-K87 WeakPolarHBondContact O-CG 3.31Å; G83-K87 PolarHBondContact O-N 2.7Å; G83-K87 VanDerWaalsContact O-N 3.12Å
84L51.6Low58.4Low59 Ų5967.5 Ų67.531%0.30935%0.345SS..Hα-helixtrans-71.5-35174.6-71.8172.4000112.4I80 K81 I82 K87 N88 K89 I90I80-L84 HydrophobicContact CG2-CD1 3.88Å; I80-L84 HydrophobicContact CG2-CG 4.33Å; I80-L84 WeakPolarHBondContact O-CB 3.38Å; I80-L84 VanDerWaalsContact O-CG 3.24Å; I80-L84 WeakPolarHBondContact O-CG 3.38Å; I80-L84 PolarHBondContact O-N 3.3Å; K81-L84 PolarHBondContact O-N 3.34Å; I82-L84 VanDerWaalsContact C-N 3.32Å; I82-L84 PolarHBondContact O-N 3.49Å; L84-K87 CarbonylContact O-C 3.54Å; L84-K87 PolarHBondContact O-N 2.94Å; L84-N88 PolarHBondContact O-N 2.89Å; L84-N88 VanDerWaalsContact O-N 3.1Å; L84-K89 HydrophobicContact CB-CB 4.41Å; L84-K89 HydrophobicContact CD2-CB 4.07Å; L84-K89 HydrophobicContact CD2-CD 4.11Å; L84-K89 PolarHBondContact O-N 3.08Å; L84-I90 HydrophobicContact CB-CD1 3.99Å; L84-I90 HydrophobicContact CB-CG1 3.84Å; L84-I90 HydrophobicContact CB-CG2 4.11Å; L84-I90 HydrophobicContact CD1-CG2 4.23Å
85L58.4Low57.9Low24 Ų2466.4 Ų66.413%0.12634%0.34CS..Hα-helixtrans-64.7-44.1173.6179.272.2000110.7K81 I82 K87 N88 I90 L92 V95K81-L85 WeakPolarHBondContact O-CB 3.09Å; K81-L85 PolarHBondContact O-N 2.99Å; I82-L85 WeakPolarHBondContact O-CB 3.1Å; I82-L85 PolarHBondContact O-N 3.21Å; L85-K87 PolarHBondContact O-N 3.47Å; L85-N88 WeakPolarHBondContact O-CA 3.48Å; L85-N88 PolarHBondContact O-N 2.95Å; L85-N88 PolarHBondContact O-OD1 3.41Å; L85-I90 HydrophobicContact CB-CG1 4.17Å; L85-I90 WeakPolarHBondContact CD1-O 3.32Å; L85-L92 HydrophobicContact CD1-CB 4.07Å; L85-L92 HydrophobicContact CD1-CD1 4.45Å; L85-L92 HydrophobicContact CD2-CD1 3.61Å; L85-V95 HydrophobicContact CB-CG2 4.03Å; L85-V95 HydrophobicContact CD1-CG2 4.39Å; L85-V95 HydrophobicContact CD2-CG2 4.03Å; L85-V95 HydrophobicContact CG-CG2 4.38Å
86V54.8Low57.6Low65 Ų6567.6 Ų67.639%0.39435%0.347SS..Hα-helixtrans-62-31.3174.5171.90000111.5I82 N88 Q788I82-V86 WeakPolarHBondContact O-CG2 3.43Å; I82-V86 PolarHBondContact O-N 2.93Å; V86-N88 VanDerWaalsContact C-N 3.29Å; V86-Q788 PolarHBondContact O-NE2 2.82Å
87K46.7Very low57.7Low151 Ų15166.6 Ų66.666%0.65735%0.346SS*.THydrogen-bonded Turntrans-87.911.1173.5-67.7-177.3178.5-173.40113.6G83 L84 L85 K89G83-K87 WeakPolarHBondContact O-CG 3.31Å; G83-K87 PolarHBondContact O-N 2.7Å; G83-K87 VanDerWaalsContact O-N 3.12Å; L84-K87 CarbonylContact O-C 3.54Å; L84-K87 PolarHBondContact O-N 2.94Å; L85-K87 PolarHBondContact O-N 3.47Å; K87-K89 HydrophobicContact CB-CG 4.34Å; K87-K89 WeakPolarHBondContact O-CG 3.46Å; K87-K89 PolarHBondContact O-N 3.04Å; K87-K89 VanDerWaalsContact O-N 3.09Å
88N48.8Very low57.7Low115 Ų11563.5 Ų63.562%0.61533%0.329SS*.THydrogen-bonded Turntrans52.427-178.8-66.5-37.3000115.2L84 L85 V86L84-N88 PolarHBondContact O-N 2.89Å; L84-N88 VanDerWaalsContact O-N 3.1Å; L85-N88 WeakPolarHBondContact O-CA 3.48Å; L85-N88 PolarHBondContact O-N 2.95Å; L85-N88 PolarHBondContact O-OD1 3.41Å; V86-N88 VanDerWaalsContact C-N 3.29Å
89K38.6Very low57.8Low158 Ų15863.9 Ų63.969%0.68733%0.332SS*.SBendtrans-92.3-11.8-179.4-65.9-164.4177.2-171.50114.4L84 K87L84-K89 HydrophobicContact CB-CB 4.41Å; L84-K89 HydrophobicContact CD2-CB 4.07Å; L84-K89 HydrophobicContact CD2-CD 4.11Å; L84-K89 PolarHBondContact O-N 3.08Å; K87-K89 HydrophobicContact CB-CG 4.34Å; K87-K89 WeakPolarHBondContact O-CG 3.46Å; K87-K89 PolarHBondContact O-N 3.04Å; K87-K89 VanDerWaalsContact O-N 3.09Å
90I47.8Very low58.1Low35 Ų3567.9 Ų67.918%0.17935%0.346CS..SBendtrans-140.3160.2176.665.5169.3000110.9K81 L84 L85 V95K81-I90 HydrophobicContact CB-CD1 3.73Å; K81-I90 HydrophobicContact CG-CD1 3.91Å; K81-I90 WeakPolarHBondContact O-CD1 3.46Å; L84-I90 HydrophobicContact CB-CD1 3.99Å; L84-I90 HydrophobicContact CB-CG1 3.84Å; L84-I90 HydrophobicContact CB-CG2 4.11Å; L84-I90 HydrophobicContact CD1-CG2 4.23Å; L85-I90 HydrophobicContact CB-CG1 4.17Å; L85-I90 WeakPolarHBondContact CD1-O 3.32Å; I90-V95 HydrophobicContact CD1-CG2 3.69Å; I90-V95 HydrophobicContact CG1-CG2 4.32Å
91T54.3Low58.5Low76 Ų7669.7 Ų69.747%0.46635%0.351SS..  trans-82148.8-179.567.90000112.1Q93 E94 V95T91-Q93 PolarHBondContact O-N 3.16Å; T91-Q93 VanDerWaalsContact O-N 3.15Å; T91-E94 PolarHBondContact O-N 3.01Å; T91-E94 VanDerWaalsContact O-N 3.11Å; T91-E94 PolarHBondContact OG1-N 3.31Å; T91-V95 PolarHBondContact O-N 3.19Å
92L57.7Low58.6Low27 Ų2767.3 Ų67.314%0.14134%0.341CS..Hα-helixtrans-57.9-29.2173.9-177.462.8000112.1L85 E94 V95 V96 C698 M699 L702L85-L92 HydrophobicContact CD1-CB 4.07Å; L85-L92 HydrophobicContact CD1-CD1 4.45Å; L85-L92 HydrophobicContact CD2-CD1 3.61Å; L92-E94 VanDerWaalsContact C-N 3.35Å; L92-E94 PolarHBondContact O-N 3.34Å; L92-V95 PolarHBondContact O-N 2.54Å; L92-V96 HydrophobicContact CD1-CG2 4.46Å; L92-V96 HydrophobicContact CG-CG2 4.26Å; L92-V96 WeakPolarHBondContact O-CG2 3.19Å; L92-V96 PolarHBondContact O-N 3Å; L92-C698 HydrophobicContact CD1-CB 4.32Å; L92-C698 HydrophobicContact CD2-CB 4.47Å; L92-M699 HydrophobicContact CD2-CG 4.08Å; L92-M699 HydrophobicContact CD2-SD 3.33Å; L92-M699 WeakPolarHBondContact CD2-SD 3.3Å; L92-M699 HydrophobicContact CG-SD 3.95Å; L92-L702 HydrophobicContact CD2-CD1 3.14Å
93Q58.8Low58.6Low160 Ų16069 Ų6975%0.74835%0.352SS*.Hα-helixtrans-65.6-35.8178.5-165.5173-10.500112.4T91 V96 S97T91-Q93 PolarHBondContact O-N 3.16Å; T91-Q93 VanDerWaalsContact O-N 3.15Å; Q93-V96 PolarHBondContact O-N 3.45Å; Q93-S97 WeakPolarHBondContact O-CB 3.29Å; Q93-S97 PolarHBondContact O-N 3.46Å
94E60.5Low58.7Low92 Ų9275.9 Ų75.943%0.4337%0.373SS..Hα-helixtrans-66.6-40.5173.8-75.3173.8-160.700112T91 L92 S97 H98T91-E94 PolarHBondContact O-N 3.01Å; T91-E94 VanDerWaalsContact O-N 3.11Å; T91-E94 PolarHBondContact OG1-N 3.31Å; L92-E94 VanDerWaalsContact C-N 3.35Å; L92-E94 PolarHBondContact O-N 3.34Å; E94-S97 PolarHBondContact O-N 2.93Å; E94-S97 PolarHBondContact O-OG 3.06Å; E94-H98 PolarHBondContact O-N 2.85Å
95V60.6Low58.9Low0 Ų076 Ų760%037%0.371CS..Hα-helixtrans-65.4-43.1175.9-172.50000111M78 K81 I82 L85 I90 T91 L92 S97 H98 S99 I695M78-V95 HydrophobicContact CE-CG1 3.8Å; M78-V95 HydrophobicContact SD-CG1 4.4Å; K81-V95 HydrophobicContact CB-CG2 4.29Å; I82-V95 HydrophobicContact CG1-CG1 4.04Å; L85-V95 HydrophobicContact CB-CG2 4.03Å; L85-V95 HydrophobicContact CD1-CG2 4.39Å; L85-V95 HydrophobicContact CD2-CG2 4.03Å; L85-V95 HydrophobicContact CG-CG2 4.38Å; I90-V95 HydrophobicContact CD1-CG2 3.69Å; I90-V95 HydrophobicContact CG1-CG2 4.32Å; T91-V95 PolarHBondContact O-N 3.19Å; L92-V95 PolarHBondContact O-N 2.54Å; V95-S97 PolarHBondContact O-N 3.31Å; V95-H98 PolarHBondContact O-N 2.88Å; V95-S99 PolarHBondContact O-N 3.29Å; V95-I695 HydrophobicContact CG1-CD1 3.68Å; V95-I695 HydrophobicContact CG1-CG1 4.08Å
96V64.9Low58.6Low28 Ų2876.1 Ų76.117%0.1737%0.372CS..Hα-helixtrans-65-36.5175.91720000112.1L92 Q93 H98 S99 K100 I695 M699L92-V96 HydrophobicContact CD1-CG2 4.46Å; L92-V96 HydrophobicContact CG-CG2 4.26Å; L92-V96 WeakPolarHBondContact O-CG2 3.19Å; L92-V96 PolarHBondContact O-N 3Å; Q93-V96 PolarHBondContact O-N 3.45Å; V96-H98 VanDerWaalsContact C-N 3.3Å; V96-H98 PolarHBondContact O-N 3.25Å; V96-S99 PolarHBondContact O-N 2.8Å; V96-S99 PolarHBondContact O-OG 2.68Å; V96-K100 HydrophobicContact CG1-CD 4.3Å; V96-K100 WeakPolarHBondContact O-CB 3.2Å; V96-K100 WeakPolarHBondContact O-CG 3.04Å; V96-K100 PolarHBondContact O-N 3Å; V96-I695 HydrophobicContact CG2-CG2 3.54Å; V96-M699 HydrophobicContact CG2-CG 4.5Å; V96-M699 HydrophobicContact CG2-SD 4.29Å
97S68.6Low58.2Low56 Ų5681.9 Ų81.939%0.39239%0.391SS..Hα-helixtrans-64.6-37.9176.679.40000111.7Q93 E94 V95 K101Q93-S97 WeakPolarHBondContact O-CB 3.29Å; Q93-S97 PolarHBondContact O-N 3.46Å; E94-S97 PolarHBondContact O-N 2.93Å; E94-S97 PolarHBondContact O-OG 3.06Å; V95-S97 PolarHBondContact O-N 3.31Å; S97-K101 WeakPolarHBondContact O-CG 3.36Å; S97-K101 PolarHBondContact O-N 3.5Å; S97-K101 VanDerWaalsContact O-N 3.16Å
98H65.7Low58.2Low21 Ų2175.9 Ų75.910%0.09737%0.372CS..Hα-helixtrans-72-41.4178.2-161.1-105.8000111.7D74 M78 K81 E94 V95 V96 K100 K101 L102D74-H98 PolarHBondContact O-CE1 2.72Å; M78-H98 HydrophobicContact SD-CB 4.07Å; M78-H98 PolarHBondContact SD-ND1 2.81Å; K81-H98 HydrophobicContact CD-CB 4.17Å; K81-H98 PolarHBondContact NZ-CD2 2.64Å; E94-H98 PolarHBondContact O-N 2.85Å; V95-H98 PolarHBondContact O-N 2.88Å; V96-H98 VanDerWaalsContact C-N 3.3Å; V96-H98 PolarHBondContact O-N 3.25Å; H98-K100 VanDerWaalsContact C-N 3.34Å; H98-K100 PolarHBondContact O-N 3.04Å; H98-K101 WeakPolarHBondContact O-CB 3.48Å; H98-K101 PolarHBondContact O-N 3.35Å; H98-K101 VanDerWaalsContact O-N 3.15Å; H98-L102 PolarHBondContact O-N 3.44Å
99S69.3Low58.2Low9 Ų973.1 Ų73.16%0.06336%0.356CS..Hα-helixtrans-62.8-38.517677.60000112.9V95 V96 L102 T103 N692V95-S99 PolarHBondContact O-N 3.29Å; V96-S99 PolarHBondContact O-N 2.8Å; V96-S99 PolarHBondContact O-OG 2.68Å; S99-L102 PolarHBondContact O-N 3.09Å; S99-T103 PolarHBondContact O-N 3.27Å; S99-T103 PolarHBondContact O-OG1 3.46Å; S99-N692 WeakPolarHBondContact CB-OD1 3.46Å
100K70.3Confident58.3Low140 Ų14070.5 Ų70.561%0.60935%0.349SS*.Hα-helixtrans-65.6-36.6172.8-74.4-179.9-179.7-179.10112.6V96 H98 T103 K104V96-K100 HydrophobicContact CG1-CD 4.3Å; V96-K100 WeakPolarHBondContact O-CB 3.2Å; V96-K100 WeakPolarHBondContact O-CG 3.04Å; V96-K100 PolarHBondContact O-N 3Å; H98-K100 VanDerWaalsContact C-N 3.34Å; H98-K100 PolarHBondContact O-N 3.04Å; K100-T103 WeakPolarHBondContact CA-OG1 3.1Å; K100-T103 PolarHBondContact O-OG1 3.14Å; K100-K104 VanDerWaalsContact O-CB 3.26Å; K100-K104 WeakPolarHBondContact O-CB 2.99Å; K100-K104 PolarHBondContact O-N 3.07Å; K100-K104 VanDerWaalsContact O-N 3.11Å
101K70Confident57.7Low140 Ų14071.6 Ų71.661%0.60936%0.359SS*.Hα-helixtrans-66.2-43.2174.5-75.7179.3179.9-173.40111.5S97 H98 K105S97-K101 WeakPolarHBondContact O-CG 3.36Å; S97-K101 PolarHBondContact O-N 3.5Å; S97-K101 VanDerWaalsContact O-N 3.16Å; H98-K101 WeakPolarHBondContact O-CB 3.48Å; H98-K101 PolarHBondContact O-N 3.35Å; H98-K101 VanDerWaalsContact O-N 3.15Å; K101-K105 WeakPolarHBondContact O-CB 3.37Å; K101-K105 WeakPolarHBondContact O-CG 3.1Å; K101-K105 PolarHBondContact O-N 2.99Å
102L65.4Low57.1Low7 Ų772.4 Ų72.44%0.03736%0.361CS..Hα-helixtrans-59.2-50.6175.7-85159.5000112.4D74 M78 H98 S99 K104 K105 N106 I688D74-L102 HydrophobicContact CB-CD2 3.5Å; D74-L102 HydrophobicContact CB-CG 4.42Å; M78-L102 HydrophobicContact CB-CD1 4.24Å; M78-L102 HydrophobicContact CG-CD1 4.16Å; M78-L102 HydrophobicContact SD-CD1 3.99Å; H98-L102 PolarHBondContact O-N 3.44Å; S99-L102 PolarHBondContact O-N 3.09Å; L102-K104 PolarHBondContact O-N 2.98Å; L102-K105 PolarHBondContact O-N 2.98Å; L102-N106 PolarHBondContact O-N 3.39Å; L102-I688 HydrophobicContact CD2-CD1 4.08Å; L102-I688 HydrophobicContact CD2-CG1 4.43Å
103T61.5Low56.3Low55 Ų5575.6 Ų75.634%0.33738%0.376SS..Hα-helixtrans-68.2-33.8-179.239.20000113.8S99 K100 I688 N692S99-T103 PolarHBondContact O-N 3.27Å; S99-T103 PolarHBondContact O-OG1 3.46Å; K100-T103 WeakPolarHBondContact CA-OG1 3.1Å; K100-T103 PolarHBondContact O-OG1 3.14Å; T103-I688 HydrophobicContact CG2-CG2 4.26Å; T103-N692 WeakPolarHBondContact CG2-ND2 3.38Å
104K58.1Low55.3Low175 Ų17575.3 Ų75.376%0.76138%0.377SS*.Hα-helixtrans-75.6-36.1178.1-156.4177-176.2-173.80112.3K100 L102 G108K100-K104 VanDerWaalsContact O-CB 3.26Å; K100-K104 WeakPolarHBondContact O-CB 2.99Å; K100-K104 PolarHBondContact O-N 3.07Å; K100-K104 VanDerWaalsContact O-N 3.11Å; L102-K104 PolarHBondContact O-N 2.98Å; K104-G108 PolarHBondContact O-N 2.98Å
105K56.5Low54Low62 Ų6276.7 Ų76.727%0.2739%0.385SS..Hα-helixtrans-62.8-44.2173.3-82-178.2179.3179.30112.1D74 K101 L102 K107 G108 Q109D74-K105 IonicContact OD2-NZ 2.63Å; D74-K105 PolarHBondContact OD2-NZ 3.15Å; K101-K105 WeakPolarHBondContact O-CB 3.37Å; K101-K105 WeakPolarHBondContact O-CG 3.1Å; K101-K105 PolarHBondContact O-N 2.99Å; L102-K105 PolarHBondContact O-N 2.98Å; K105-K107 PolarHBondContact O-N 3.07Å; K105-G108 PolarHBondContact O-N 2.97Å; K105-Q109 VanDerWaalsContact O-CB 3.3Å; K105-Q109 WeakPolarHBondContact O-CB 3.27Å; K105-Q109 WeakPolarHBondContact O-CG 3.38Å; K105-Q109 PolarHBondContact O-N 3.14Å
106N52.7Low52.8Low27 Ų2781.7 Ų81.714%0.14441%0.409CS..Hα-helixtrans-68-36.3-176.3-72.87.3000114L71 L102 L110 N685 I688L71-N106 WeakPolarHBondContact CD2-OD1 3.44Å; L102-N106 PolarHBondContact O-N 3.39Å; N106-L110 WeakPolarHBondContact O-CD1 3.33Å; N106-N685 PolarHBondContact ND2-OD1 3.34Å; N106-I688 VanDerWaalsContact ND2-CD1 3.27Å; N106-I688 WeakPolarHBondContact ND2-CD1 3.37Å
107K46.7Very low51.5Low185 Ų18586.6 Ų86.680%0.80443%0.434SS*.Hα-helixtrans-78-29.9178.2-83.1-176175.5179.20113.9K105 S111K105-K107 PolarHBondContact O-N 3.07Å; K107-S111 PolarHBondContact O-OG 2.85Å
108G46.6Very low50Low25 Ų2593.2 Ų93.226%0.25846%0.456SS..Hα-helixtrans-89-40-179.100000114.2K104 K105 S111 D112K104-G108 PolarHBondContact O-N 2.98Å; K105-G108 PolarHBondContact O-N 2.97Å; G108-S111 PolarHBondContact O-N 2.63Å; G108-S111 PolarHBondContact O-OG 2.94Å; G108-S111 VanDerWaalsContact O-OG 3.06Å; G108-D112 VanDerWaalsContact O-CB 3.25Å; G108-D112 WeakPolarHBondContact O-CB 3.47Å; G108-D112 PolarHBondContact O-N 3.02Å
109Q47Very low48.4Very low57 Ų5799.9 Ų99.927%0.26649%0.488SS..Hα-helixtrans-72-36.5-174.9-73.2-174.6-68.200113.2K105 S111 M113K105-Q109 VanDerWaalsContact O-CB 3.3Å; K105-Q109 WeakPolarHBondContact O-CB 3.27Å; K105-Q109 WeakPolarHBondContact O-CG 3.38Å; K105-Q109 PolarHBondContact O-N 3.14Å; Q109-S111 PolarHBondContact O-N 3.2Å; Q109-M113 HydrophobicContact CB-SD 4.43Å; Q109-M113 WeakPolarHBondContact O-CB 3.31Å; Q109-M113 VanDerWaalsContact O-CG 3.25Å; Q109-M113 WeakPolarHBondContact O-CG 3.41Å; Q109-M113 PolarHBondContact O-N 3.42Å
110L41.5Very low46.7Very low103 Ų103108.8 Ų108.854%0.53952%0.52SS..Hα-helixtrans-65.1-37.2176.7-97.4118.3000112.6N106N106-L110 WeakPolarHBondContact O-CD1 3.33Å
111S35.4Very low45.2Very low58 Ų58105 Ų10541%0.40652%0.52SS..Hα-helixtrans-79.1-39.8177.5550000112.6K107 G108 Q109 M115K107-S111 PolarHBondContact O-OG 2.85Å; G108-S111 PolarHBondContact O-N 2.63Å; G108-S111 PolarHBondContact O-OG 2.94Å; G108-S111 VanDerWaalsContact O-OG 3.06Å; Q109-S111 PolarHBondContact O-N 3.2Å; S111-M115 WeakPolarHBondContact O-CB 3.37Å; S111-M115 WeakPolarHBondContact O-CG 3.35Å; S111-M115 PolarHBondContact O-N 2.86Å
112D41.2Very low43.6Very low94 Ų94100.5 Ų100.550%0.50351%0.513SS..Hα-helixtrans-79.8-33.8-175.9-71.9-19.5000112.8G108 M115 M116G108-D112 VanDerWaalsContact O-CB 3.25Å; G108-D112 WeakPolarHBondContact O-CB 3.47Å; G108-D112 PolarHBondContact O-N 3.02Å; D112-M115 PolarHBondContact O-N 3.41Å; D112-M116 VanDerWaalsContact O-CB 3.31Å; D112-M116 WeakPolarHBondContact O-CB 3.29Å; D112-M116 WeakPolarHBondContact O-CG 3.32Å; D112-M116 PolarHBondContact O-N 2.88Å
113M42.3Very low42.7Very low93 Ų93103.9 Ų103.946%0.45853%0.531SS..Hα-helixtrans-67.6-35.8176-73.6178.669.100112.3Q109 E525Q109-M113 HydrophobicContact CB-SD 4.43Å; Q109-M113 WeakPolarHBondContact O-CB 3.31Å; Q109-M113 VanDerWaalsContact O-CG 3.25Å; Q109-M113 WeakPolarHBondContact O-CG 3.41Å; Q109-M113 PolarHBondContact O-N 3.42Å; M113-E525 WeakPolarHBondContact CE-OE2 3.35Å
114M36.5Very low41.6Very low154 Ų154109.9 Ų109.976%0.75955%0.553SS**Hα-helixtrans-76.1-24.6176.1-72.4-170.9173.600113.3
115M33Very low40.9Very low122 Ų122105.6 Ų105.660%0.60155%0.55SS*.Hα-helixtrans-99-22.7-176.6-71.9-158.4172.300115.2S111 D112 N117 K118 Q119S111-M115 WeakPolarHBondContact O-CB 3.37Å; S111-M115 WeakPolarHBondContact O-CG 3.35Å; S111-M115 PolarHBondContact O-N 2.86Å; D112-M115 PolarHBondContact O-N 3.41Å; M115-N117 PolarHBondContact O-N 3.47Å; M115-K118 PolarHBondContact O-N 2.94Å; M115-K118 VanDerWaalsContact O-N 3.13Å; M115-Q119 PolarHBondContact O-N 3.32Å
116M35.1Very low40.8Very low105 Ų105103.8 Ų103.852%0.51754%0.543SS..Hα-helixtrans-63.8-27.5178.9-82.5-96.6-160.100113.4D112 K118D112-M116 VanDerWaalsContact O-CB 3.31Å; D112-M116 WeakPolarHBondContact O-CB 3.29Å; D112-M116 WeakPolarHBondContact O-CG 3.32Å; D112-M116 PolarHBondContact O-N 2.88Å; M116-K118 PolarHBondContact O-N 3.19Å
117N37.6Very low41.1Very low130 Ų130105.1 Ų105.170%0.69556%0.555SS**Hα-helixtrans-74.5-10.3178-126-8.8000113.4M115M115-N117 PolarHBondContact O-N 3.47Å
118K37.4Very low42Very low196 Ų196105 Ų10585%0.85255%0.554SS**Hα-helixtrans-121-24.3-175.6-102.5-179.9178176.30116.3M115 M116M115-K118 PolarHBondContact O-N 2.94Å; M115-K118 VanDerWaalsContact O-N 3.13Å; M116-K118 PolarHBondContact O-N 3.19Å
119Q32.1Very low43Very low161 Ų161111.4 Ų111.475%0.75258%0.577SS**Hα-helixtrans-135.54-167.3-81-177.9-19.900118.3M115M115-Q119 PolarHBondContact O-N 3.32Å
120R34.9Very low44Very low196 Ų196111.4 Ų111.474%0.7458%0.576SS**SBendtrans-133.486.7168.3-75.1-172179.1-176.12111.3G122R120-G122 PolarHBondContact O-N 3.43Å
121G37Very low45.3Very low59 Ų59111.9 Ų111.961%0.60857%0.571SS**  trans46.620.9157.500000119.5L123 A125G121-L123 PolarHBondContact O-N 2.91Å; G121-A125 WeakPolarHBondContact O-CB 3.48Å
122G38.3Very low47.2Very low46 Ų46113 Ų11347%0.47458%0.575SS.*THydrogen-bonded Turntrans-59.8123.8-170.400000112.3R120 K124R120-G122 PolarHBondContact O-N 3.43Å; G122-K124 PolarHBondContact O-N 3.38Å
123L44.9Very low49.1Very low78 Ų78111.2 Ų111.241%0.40856%0.563SS.*THydrogen-bonded Turntrans49.2-19.3179-71.7117.6000118.4G121 A125 L126 L134 V526G121-L123 PolarHBondContact O-N 2.91Å; L123-A125 VanDerWaalsContact C-N 3.31Å; L123-L126 HydrophobicContact CB-CD1 3.95Å; L123-L126 HydrophobicContact CD2-CD1 3.61Å; L123-L126 HydrophobicContact CG-CD1 3.8Å; L123-L126 WeakPolarHBondContact O-CB 3.45Å; L123-L126 PolarHBondContact O-N 3.49Å; L123-L134 HydrophobicContact CD2-CD1 3.5Å; L123-V526 HydrophobicContact CD1-CG1 4.22Å; L123-V526 HydrophobicContact CD2-CG1 3.9Å
124K40Very low50.8Low182 Ų182107.3 Ų107.379%0.79154%0.544SS*.THydrogen-bonded Turntrans-75.6-21.4175.6-72.4-173.6177-176.30112G122 R131G122-K124 PolarHBondContact O-N 3.38Å; K124-R131 PolarHBondContact O-NH2 3.35Å
125A42.5Very low52.9Low85 Ų85104.6 Ų104.670%0.70253%0.529SS*.THydrogen-bonded Turntrans-87.5-0.4173.600000114.4G121 L123G121-A125 WeakPolarHBondContact O-CB 3.48Å; L123-A125 VanDerWaalsContact C-N 3.31Å
126L53.5Low55.4Low23 Ų2399.6 Ų99.612%0.1251%0.507CS..SBendtrans-74137.9177.5-71.4165.3000111.3L123 K130 R131 L134 L505L123-L126 HydrophobicContact CB-CD1 3.95Å; L123-L126 HydrophobicContact CD2-CD1 3.61Å; L123-L126 HydrophobicContact CG-CD1 3.8Å; L123-L126 WeakPolarHBondContact O-CB 3.45Å; L123-L126 PolarHBondContact O-N 3.49Å; L126-K130 HydrophobicContact CB-CB 4.13Å; L126-K130 HydrophobicContact CD2-CB 4.03Å; L126-K130 HydrophobicContact CD2-CD 3.69Å; L126-K130 HydrophobicContact CD2-CG 4.49Å; L126-R131 HydrophobicContact CB-CG 4.24Å; L126-L134 HydrophobicContact CD1-CD1 3.76Å; L126-L505 WeakPolarHBondContact CD2-O 3.31Å
127S59.3Low58Low56 Ų5694.6 Ų94.639%0.39248%0.482SS..  trans-59.6157.6173.865.50000111.5E129 K130 R131S127-E129 PolarHBondContact O-N 3.35Å; S127-K130 PolarHBondContact O-N 2.7Å; S127-K130 WeakPolarHBondContact OG-CG 3.4Å; S127-R131 PolarHBondContact O-N 3.24Å
128K66.9Low60.3Low181 Ų18189.9 Ų89.979%0.78746%0.456SS*.Hα-helixtrans-52.3-43.4179.8-173.2-179.2177.7-173.60111.9K130 R131 V132K128-K130 PolarHBondContact O-N 3.31Å; K128-R131 PolarHBondContact O-N 3.05Å; K128-V132 WeakPolarHBondContact O-CG2 3.32Å; K128-V132 PolarHBondContact O-N 3.17Å; K128-V132 VanDerWaalsContact O-N 3.11Å
129E67.6Low62.6Low161 Ų16182.7 Ų82.775%0.75243%0.426SS*.Hα-helixtrans-60-40.8177.5-70173.3169.600113S127 V132 K133S127-E129 PolarHBondContact O-N 3.35Å; E129-V132 PolarHBondContact O-N 3.31Å; E129-K133 PolarHBondContact O-N 2.91Å
130K67.8Low65.4Low56 Ų5675 Ų7524%0.24339%0.39CS..Hα-helixtrans-70.8-34.9-179.2-67.3178.4-169.2-159.10112.3L126 S127 K128 K133 L134 S504L126-K130 HydrophobicContact CB-CB 4.13Å; L126-K130 HydrophobicContact CD2-CB 4.03Å; L126-K130 HydrophobicContact CD2-CD 3.69Å; L126-K130 HydrophobicContact CD2-CG 4.49Å; S127-K130 PolarHBondContact O-N 2.7Å; S127-K130 WeakPolarHBondContact OG-CG 3.4Å; K128-K130 PolarHBondContact O-N 3.31Å; K130-K133 PolarHBondContact O-N 3.06Å; K130-L134 WeakPolarHBondContact O-CG 3.4Å; K130-L134 PolarHBondContact O-N 2.99Å; K130-S504 WeakPolarHBondContact CD-O 3.28Å; K130-S504 WeakPolarHBondContact CE-O 3.31Å; K130-S504 PolarHBondContact NZ-O 2.88Å
131R68.8Low68Low114 Ų11465.7 Ų65.743%0.4336%0.355SS..Hα-helixtrans-64.6-45.3172.9-68.5-171-174.3171.97.5111.4K124 L126 S127 K128 K133 L134 E135K124-R131 PolarHBondContact O-NH2 3.35Å; L126-R131 HydrophobicContact CB-CG 4.24Å; S127-R131 PolarHBondContact O-N 3.24Å; K128-R131 PolarHBondContact O-N 3.05Å; R131-K133 VanDerWaalsContact C-N 3.29Å; R131-K133 PolarHBondContact O-N 3.43Å; R131-L134 PolarHBondContact O-N 3.42Å; R131-E135 WeakPolarHBondContact O-CG 3.4Å; R131-E135 PolarHBondContact O-N 2.98Å
132V75.5Confident70.4Confident82 Ų8264.5 Ų64.550%0.49733%0.332SS..Hα-helixtrans-59-42.2175.5173.30000110.8K128 E129 L134 E135 A136K128-V132 WeakPolarHBondContact O-CG2 3.32Å; K128-V132 PolarHBondContact O-N 3.17Å; K128-V132 VanDerWaalsContact O-N 3.11Å; E129-V132 PolarHBondContact O-N 3.31Å; V132-L134 PolarHBondContact O-N 3.16Å; V132-E135 PolarHBondContact O-N 3.42Å; V132-A136 PolarHBondContact O-N 3.36Å
133K80.3Confident72.7Confident56 Ų5662.9 Ų62.924%0.24331%0.312CS..Hα-helixtrans-65.2-39.4177.2-162.9160.7-177.31540112.7E129 K130 R131 A136 Y137 L496 D498E129-K133 PolarHBondContact O-N 2.91Å; K130-K133 PolarHBondContact O-N 3.06Å; R131-K133 VanDerWaalsContact C-N 3.29Å; R131-K133 PolarHBondContact O-N 3.43Å; K133-A136 PolarHBondContact O-N 3.32Å; K133-Y137 HydrophobicContact CG-CD2 4.47Å; K133-Y137 HydrophobicContact CG-CE2 4.08Å; K133-Y137 WeakPolarHBondContact O-CD2 3.37Å; K133-Y137 PolarHBondContact O-N 3.29Å; K133-Y137 VanDerWaalsContact O-N 3.08Å; K133-L496 WeakPolarHBondContact CE-O 3.39Å; K133-L496 PolarHBondContact NZ-O 3.21Å; K133-D498 PolarHBondContact NZ-O 3.33Å
134L78.9Confident74.8Confident10 Ų1059.2 Ų59.25%0.05229%0.293CS..Hα-helixtrans-67.8-34173.8-72.4174.5000113.1L123 L126 K130 R131 V132 Y137 Q138 L505 L528L123-L134 HydrophobicContact CD2-CD1 3.5Å; L126-L134 HydrophobicContact CD1-CD1 3.76Å; K130-L134 WeakPolarHBondContact O-CG 3.4Å; K130-L134 PolarHBondContact O-N 2.99Å; R131-L134 PolarHBondContact O-N 3.42Å; V132-L134 PolarHBondContact O-N 3.16Å; L134-Y137 PolarHBondContact O-N 2.82Å; L134-Q138 WeakPolarHBondContact O-CG 3.25Å; L134-Q138 PolarHBondContact O-N 3.02Å; L134-Q138 VanDerWaalsContact O-N 3.16Å; L134-L505 HydrophobicContact CD2-CD2 3.77Å; L134-L505 HydrophobicContact CD2-CG 4.36Å; L134-L528 HydrophobicContact CB-CD2 4.37Å; L134-L528 HydrophobicContact CD2-CD2 4.28Å
135E80.5Confident77Confident98 Ų9850.7 Ų50.746%0.45826%0.256SS..Hα-helixtrans-66.2-40.8171.1-73.8171.2-177.900111R131 V132 Y137 Q138 H139R131-E135 WeakPolarHBondContact O-CG 3.4Å; R131-E135 PolarHBondContact O-N 2.98Å; V132-E135 PolarHBondContact O-N 3.42Å; E135-Y137 VanDerWaalsContact C-N 3.32Å; E135-Y137 PolarHBondContact O-N 3.48Å; E135-Q138 WeakPolarHBondContact O-CA 3.38Å; E135-Q138 VanDerWaalsContact O-CB 3.23Å; E135-Q138 WeakPolarHBondContact O-CB 3.45Å; E135-Q138 PolarHBondContact O-N 3.46Å; E135-H139 PolarHBondContact O-CD2 2.97Å; E135-H139 PolarHBondContact O-N 3.38Å
136A85.3Confident79Confident16 Ų1648 Ų4813%0.13223%0.231CC..Hα-helixtrans-61.1-40174.700000112.1V132 K133 Q138 H139 L140 L496V132-A136 PolarHBondContact O-N 3.36Å; K133-A136 PolarHBondContact O-N 3.32Å; A136-Q138 VanDerWaalsContact C-N 3.29Å; A136-Q138 PolarHBondContact O-N 3.25Å; A136-H139 WeakPolarHBondContact O-CB 3.5Å; A136-H139 PolarHBondContact O-N 3.09Å; A136-H139 VanDerWaalsContact O-N 3.17Å; A136-L140 PolarHBondContact O-N 3.11Å; A136-L496 HydrophobicContact CB-CD1 3.47Å; A136-L496 VanDerWaalsContact CB-CD1 3.47Å; A136-L496 HydrophobicContact CB-CG 4.36Å
137Y88.5Confident80.5Confident0 Ų050 Ų500%024%0.242CC..Hα-helixtrans-62.1-33.6171.1-79-65.1000113.1K133 L134 E135 H139 L140 F141 I467 H471 L496 P500 L505K133-Y137 HydrophobicContact CG-CD2 4.47Å; K133-Y137 HydrophobicContact CG-CE2 4.08Å; K133-Y137 WeakPolarHBondContact O-CD2 3.37Å; K133-Y137 PolarHBondContact O-N 3.29Å; K133-Y137 VanDerWaalsContact O-N 3.08Å; L134-Y137 PolarHBondContact O-N 2.82Å; E135-Y137 VanDerWaalsContact C-N 3.32Å; E135-Y137 PolarHBondContact O-N 3.48Å; Y137-H139 VanDerWaalsContact C-N 3.28Å; Y137-H139 PolarHBondContact O-N 3.24Å; Y137-L140 HydrophobicContact CD1-CD2 4.37Å; Y137-L140 PolarHBondContact O-N 3.4Å; Y137-F141 HydrophobicContact CD1-CE2 4.13Å; Y137-F141 AromaticContact CD1-CZ 3.95Å; Y137-F141 HydrophobicContact CD1-CZ 3.95Å; Y137-F141 HydrophobicContact CG-CE2 4.35Å; Y137-F141 WeakPolarHBondContact O-CB 3.46Å; Y137-F141 WeakPolarHBondContact O-CD2 3.3Å; Y137-F141 VanDerWaalsContact O-CG 3.31Å; Y137-F141 WeakPolarHBondContact O-CG 3.27Å; Y137-F141 PolarHBondContact O-N 3.06Å; Y137-I467 HydrophobicContact CD1-CG2 3.6Å; Y137-I467 HydrophobicContact CD2-CG2 3.86Å; Y137-I467 HydrophobicContact CE1-CG2 3.37Å; Y137-I467 HydrophobicContact CE2-CG2 3.64Å; Y137-I467 HydrophobicContact CG-CG2 3.85Å; Y137-H471 HydrophobicContact CE1-CB 4.06Å; Y137-H471 AromaticContact CE1-ND1 3.97Å; Y137-H471 AromaticContact CZ-ND1 3.8Å; Y137-H471 PolarHBondContact OH-ND1 3.39Å; Y137-L496 HydrophobicContact CD1-CD2 3.51Å; Y137-L496 HydrophobicContact CD1-CG 4.44Å; Y137-L496 HydrophobicContact CE1-CD2 3.13Å; Y137-L496 HydrophobicContact CE1-CG 4.22Å; Y137-L496 HydrophobicContact CE2-CD2 4.33Å; Y137-L496 HydrophobicContact CG-CD2 4.23Å; Y137-P500 HydrophobicContact CE2-CG 4.48Å; Y137-P500 WeakPolarHBondContact OH-CD 3.46Å; Y137-P500 WeakPolarHBondContact OH-CG 3.27Å; Y137-L505 HydrophobicContact CE2-CD1 4.24Å
138Q85.8Confident81.9Confident32 Ų3247.9 Ų47.915%0.1523%0.227CC..Hα-helixtrans-62-39.1174.5-69.5163.621.400111.4L134 E135 A136 Y142 L528 T529 L530L134-Q138 WeakPolarHBondContact O-CG 3.25Å; L134-Q138 PolarHBondContact O-N 3.02Å; L134-Q138 VanDerWaalsContact O-N 3.16Å; E135-Q138 WeakPolarHBondContact O-CA 3.38Å; E135-Q138 VanDerWaalsContact O-CB 3.23Å; E135-Q138 WeakPolarHBondContact O-CB 3.45Å; E135-Q138 PolarHBondContact O-N 3.46Å; A136-Q138 VanDerWaalsContact C-N 3.29Å; A136-Q138 PolarHBondContact O-N 3.25Å; Q138-Y142 WeakPolarHBondContact O-CB 3.31Å; Q138-Y142 PolarHBondContact O-N 3.18Å; Q138-Y142 VanDerWaalsContact O-N 3.09Å; Q138-L528 HydrophobicContact CG-CB 3.84Å; Q138-L528 HydrophobicContact CG-CD2 4.15Å; Q138-L528 HydrophobicContact CG-CG 4.45Å; Q138-T529 WeakPolarHBondContact CG-O 3.25Å; Q138-T529 PolarHBondContact OE1-O 3.42Å; Q138-L530 HydrophobicContact CB-CD2 4.43Å; Q138-L530 WeakPolarHBondContact O-CD2 3.22Å
139H85.9Confident83Confident44 Ų4442.6 Ų42.620%0.20421%0.21CC..Hα-helixtrans-67.1-46.4175.8-60.9-43.8000112.4E135 A136 Y137 Y142 L143 L492 T531 K533E135-H139 PolarHBondContact O-CD2 2.97Å; E135-H139 PolarHBondContact O-N 3.38Å; A136-H139 WeakPolarHBondContact O-CB 3.5Å; A136-H139 PolarHBondContact O-N 3.09Å; A136-H139 VanDerWaalsContact O-N 3.17Å; Y137-H139 VanDerWaalsContact C-N 3.28Å; Y137-H139 PolarHBondContact O-N 3.24Å; H139-Y142 PolarHBondContact O-N 3.44Å; H139-L143 PolarHBondContact O-N 3.09Å; H139-L143 VanDerWaalsContact O-N 3.08Å; H139-L492 HydrophobicContact CB-CD2 3.99Å; H139-T531 VanDerWaalsContact CA-O 3.31Å; H139-T531 WeakPolarHBondContact CA-O 3.5Å; H139-T531 PolarHBondContact CE1-OG1 3.36Å; H139-T531 PolarHBondContact ND1-O 3.27Å; H139-T531 PolarHBondContact ND1-OG1 3.13Å; H139-K533 HydrophobicContact CB-CB 3.97Å; H139-K533 PolarHBondContact ND1-N 3.16Å
140L90.7Very high84.1Confident0 Ų035.6 Ų35.60%018%0.177CC..Hα-helixtrans-59.4-50.4177.8-179.562.5000111.8A136 Y137 Y142 L143 L144 L474 I489 L492 L493 L496A136-L140 PolarHBondContact O-N 3.11Å; Y137-L140 HydrophobicContact CD1-CD2 4.37Å; Y137-L140 PolarHBondContact O-N 3.4Å; L140-Y142 VanDerWaalsContact C-N 3.31Å; L140-Y142 PolarHBondContact O-N 3.2Å; L140-L143 WeakPolarHBondContact O-CB 3.45Å; L140-L143 PolarHBondContact O-N 2.65Å; L140-L144 HydrophobicContact CG-CD1 4.3Å; L140-L144 WeakPolarHBondContact O-CG 3.41Å; L140-L144 PolarHBondContact O-N 2.92Å; L140-L474 HydrophobicContact CD1-CD1 4.32Å; L140-L474 HydrophobicContact CD2-CD1 3.91Å; L140-L474 HydrophobicContact CG-CD1 4.34Å; L140-I489 HydrophobicContact CD1-CD1 4.38Å; L140-I489 HydrophobicContact CD1-CG1 3.98Å; L140-L492 HydrophobicContact CD1-CB 4.43Å; L140-L493 HydrophobicContact CD1-CD2 4.34Å; L140-L493 HydrophobicContact CD2-CD2 4.17Å; L140-L496 HydrophobicContact CD2-CD2 3.82Å
141F90.7Very high85.1Confident1 Ų133 Ų330%0.00417%0.165CC..Hα-helixtrans-69.1-29.3-178.7-62.5-38.8000113Y137 L144 Q145 L174 I460 I462 I467 T470 L528 L530Y137-F141 HydrophobicContact CD1-CE2 4.13Å; Y137-F141 AromaticContact CD1-CZ 3.95Å; Y137-F141 HydrophobicContact CD1-CZ 3.95Å; Y137-F141 HydrophobicContact CG-CE2 4.35Å; Y137-F141 WeakPolarHBondContact O-CB 3.46Å; Y137-F141 WeakPolarHBondContact O-CD2 3.3Å; Y137-F141 VanDerWaalsContact O-CG 3.31Å; Y137-F141 WeakPolarHBondContact O-CG 3.27Å; Y137-F141 PolarHBondContact O-N 3.06Å; F141-L144 HydrophobicContact CD1-CD1 4.12Å; F141-Q145 WeakPolarHBondContact O-CG 3.45Å; F141-Q145 PolarHBondContact O-N 3.41Å; F141-L174 HydrophobicContact CB-CD2 4.2Å; F141-L174 HydrophobicContact CD1-CD2 3.42Å; F141-L174 VanDerWaalsContact CD1-CD2 3.42Å; F141-L174 HydrophobicContact CE1-CD2 3.89Å; F141-L174 HydrophobicContact CG-CD2 3.84Å; F141-I460 HydrophobicContact CB-CD1 3.89Å; F141-I460 HydrophobicContact CD2-CD1 3.5Å; F141-I460 HydrophobicContact CE2-CD1 4.24Å; F141-I460 HydrophobicContact CG-CD1 3.89Å; F141-I462 HydrophobicContact CE2-CD1 4.14Å; F141-I462 HydrophobicContact CZ-CD1 4.02Å; F141-I467 HydrophobicContact CE2-CG1 4.03Å; F141-I467 HydrophobicContact CZ-CB 4.38Å; F141-I467 HydrophobicContact CZ-CG1 4.12Å; F141-I467 HydrophobicContact CZ-CG2 4.2Å; F141-T470 HydrophobicContact CE1-CG2 3.88Å; F141-L528 HydrophobicContact CD2-CD1 3.88Å; F141-L528 HydrophobicContact CE2-CD1 3.81Å; F141-L530 HydrophobicContact CB-CD2 3.68Å
142Y86.5Confident86.1Confident34 Ų3427.7 Ų27.713%0.13315%0.146CC..Hα-helixtrans-61.3-48.7170.1-174.7-90000111.1Q138 H139 L140 L144 Q145 T146 P458 L530 N532Q138-Y142 WeakPolarHBondContact O-CB 3.31Å; Q138-Y142 PolarHBondContact O-N 3.18Å; Q138-Y142 VanDerWaalsContact O-N 3.09Å; H139-Y142 PolarHBondContact O-N 3.44Å; L140-Y142 VanDerWaalsContact C-N 3.31Å; L140-Y142 PolarHBondContact O-N 3.2Å; Y142-L144 VanDerWaalsContact C-N 3.35Å; Y142-L144 PolarHBondContact O-N 3.24Å; Y142-Q145 PolarHBondContact O-N 2.88Å; Y142-T146 HydrophobicContact CD1-CG2 4.2Å; Y142-T146 HydrophobicContact CE1-CG2 3.69Å; Y142-T146 HydrophobicContact CE2-CG2 4.32Å; Y142-T146 PolarHBondContact O-N 2.94Å; Y142-T146 VanDerWaalsContact O-N 3.11Å; Y142-T146 PolarHBondContact O-OG1 2.97Å; Y142-T146 VanDerWaalsContact O-OG1 3.13Å; Y142-P458 HydrophobicContact CD2-CG 4.22Å; Y142-P458 HydrophobicContact CE2-CG 4.13Å; Y142-L530 HydrophobicContact CD2-CB 3.96Å; Y142-N532 HydrophobicContact CD1-CB 3.67Å; Y142-N532 HydrophobicContact CE1-CB 3.49Å; Y142-N532 VanDerWaalsContact CE1-CB 3.49Å; Y142-N532 HydrophobicContact CG-CB 4.46Å
143L87.3Confident86.7Confident11 Ų1126.9 Ų26.96%0.05814%0.136CC..Hα-helixtrans-59.3-44.6178.6-176.267.1000111.7H139 L140 Q145 T146 N147 Y150 P488 I489 L492H139-L143 PolarHBondContact O-N 3.09Å; H139-L143 VanDerWaalsContact O-N 3.08Å; L140-L143 WeakPolarHBondContact O-CB 3.45Å; L140-L143 PolarHBondContact O-N 2.65Å; L143-Q145 VanDerWaalsContact C-N 3.3Å; L143-Q145 PolarHBondContact O-N 3.01Å; L143-T146 PolarHBondContact O-N 3.33Å; L143-T146 PolarHBondContact O-OG1 3.48Å; L143-N147 WeakPolarHBondContact CD1-ND2 3.5Å; L143-N147 WeakPolarHBondContact O-CB 3.48Å; L143-N147 PolarHBondContact O-N 3.42Å; L143-Y150 HydrophobicContact CD1-CE2 4.23Å; L143-Y150 HydrophobicContact CD2-CE2 4.08Å; L143-Y150 HydrophobicContact CG-CE2 3.86Å; L143-P488 HydrophobicContact CD2-CB 4.49Å; L143-I489 HydrophobicContact CD2-CB 3.92Å; L143-I489 HydrophobicContact CD2-CG1 4.15Å; L143-L492 HydrophobicContact CB-CD1 4.18Å; L143-L492 HydrophobicContact CD2-CD1 3.69Å
144L89.4Confident87Confident1 Ų124.4 Ų24.41%0.00513%0.125CC..Hα-helixtrans-64.3-33.8178-65.4175.6000112.7L140 F141 Y142 Y150 L151 Y175 L474 I489L140-L144 HydrophobicContact CG-CD1 4.3Å; L140-L144 WeakPolarHBondContact O-CG 3.41Å; L140-L144 PolarHBondContact O-N 2.92Å; F141-L144 HydrophobicContact CD1-CD1 4.12Å; Y142-L144 VanDerWaalsContact C-N 3.35Å; Y142-L144 PolarHBondContact O-N 3.24Å; L144-Y150 HydrophobicContact CD2-CD2 4.26Å; L144-Y150 HydrophobicContact CD2-CG 4.25Å; L144-L151 HydrophobicContact CB-CD1 4.22Å; L144-L151 HydrophobicContact CB-CD2 4.38Å; L144-L151 HydrophobicContact CB-CG 4.25Å; L144-L151 HydrophobicContact CD1-CD2 4.36Å; L144-L151 HydrophobicContact CD2-CD2 4.15Å; L144-L151 HydrophobicContact CD2-CG 4.36Å; L144-Y175 PolarHBondContact O-OH 3.26Å; L144-L474 HydrophobicContact CD1-CD1 3.77Å; L144-L474 HydrophobicContact CD1-CD2 4.43Å; L144-L474 HydrophobicContact CD2-CD2 4.14Å; L144-I489 HydrophobicContact CD2-CD1 4.04Å
145Q86.1Confident87.3Confident3 Ų324.2 Ų24.21%0.01412%0.124CC..Hα-helixtrans-69.4-42.8176.4-82.5-168.7-7.600112.6F141 Y142 L143 L174 Y175 L186 L530F141-Q145 WeakPolarHBondContact O-CG 3.45Å; F141-Q145 PolarHBondContact O-N 3.41Å; Y142-Q145 PolarHBondContact O-N 2.88Å; L143-Q145 VanDerWaalsContact C-N 3.3Å; L143-Q145 PolarHBondContact O-N 3.01Å; Q145-L174 PolarHBondContact NE2-O 2.85Å; Q145-Y175 HydrophobicContact CB-CE1 4.14Å; Q145-Y175 HydrophobicContact CG-CD1 4.25Å; Q145-Y175 HydrophobicContact CG-CE1 3.99Å; Q145-Y175 PolarHBondContact O-OH 3.44Å; Q145-L186 HydrophobicContact CB-CD1 4.24Å; Q145-L530 HydrophobicContact CG-CD1 4.27Å; Q145-L530 VanDerWaalsContact OE1-CD1 3.3Å
146T83.5Confident87.3Confident30 Ų3020.7 Ų20.718%0.18411%0.107CC..Hα-helixtrans-82.7-31.2-172.553.50000112.9Y142 L143 P148Y142-T146 HydrophobicContact CD1-CG2 4.2Å; Y142-T146 HydrophobicContact CE1-CG2 3.69Å; Y142-T146 HydrophobicContact CE2-CG2 4.32Å; Y142-T146 PolarHBondContact O-N 2.94Å; Y142-T146 VanDerWaalsContact O-N 3.11Å; Y142-T146 PolarHBondContact O-OG1 2.97Å; Y142-T146 VanDerWaalsContact O-OG1 3.13Å; L143-T146 PolarHBondContact O-N 3.33Å; L143-T146 PolarHBondContact O-OG1 3.48Å; T146-P148 WeakPolarHBondContact O-CD 3.24Å
147N85.5Confident87Confident65 Ų6524.3 Ų24.335%0.34812%0.121SC..  trans-107.595.7179.6-71.1-20.7000111.2L143 T149 Y150L143-N147 WeakPolarHBondContact CD1-ND2 3.5Å; L143-N147 WeakPolarHBondContact O-CB 3.48Å; L143-N147 PolarHBondContact O-N 3.42Å; N147-T149 PolarHBondContact O-N 3.43Å; N147-T149 VanDerWaalsContact O-N 3.15Å; N147-Y150 HydrophobicContact CB-CD2 3.69Å; N147-Y150 HydrophobicContact CB-CE2 3.45Å; N147-Y150 VanDerWaalsContact CB-CE2 3.45Å; N147-Y150 WeakPolarHBondContact O-CD2 3.18Å
148P88.6Confident86.3Confident11 Ų1125.5 Ų25.57%0.07113%0.127CC..Hα-helixtrans-66.5-19.2-174.827.8-36.5000113.8T146 Y150 L151 A152 K189 L190T146-P148 WeakPolarHBondContact O-CD 3.24Å; P148-Y150 VanDerWaalsContact C-N 3.35Å; P148-Y150 PolarHBondContact O-N 3.29Å; P148-L151 PolarHBondContact O-N 3.15Å; P148-A152 WeakPolarHBondContact O-CB 3.43Å; P148-A152 PolarHBondContact O-N 3.38Å; P148-K189 HydrophobicContact CG-CD 4.31Å; P148-K189 HydrophobicContact CG-CG 4.2Å; P148-L190 HydrophobicContact CB-CB 4.18Å; P148-L190 HydrophobicContact CB-CD1 4.11Å; P148-L190 WeakPolarHBondContact O-CD1 3.23Å
149T89.3Confident85.4Confident70 Ų7027 Ų2743%0.42914%0.14SC..Hα-helixtrans-59-42-175.7-51.40000112.6N147 A152 K153N147-T149 PolarHBondContact O-N 3.43Å; N147-T149 VanDerWaalsContact O-N 3.15Å; T149-A152 PolarHBondContact O-N 3.13Å; T149-K153 HydrophobicContact CG2-CD 4.13Å; T149-K153 WeakPolarHBondContact O-CB 3.42Å; T149-K153 WeakPolarHBondContact O-CG 3.39Å; T149-K153 PolarHBondContact O-N 3.43Å
150Y90.4Very high84.2Confident13 Ų1329.6 Ų29.65%0.05115%0.152CC..Hα-helixtrans-62.5-52.3-178.7-56.3-66.8000111.5L143 L144 N147 P148 K153 L154 A482 D487 I489L143-Y150 HydrophobicContact CD1-CE2 4.23Å; L143-Y150 HydrophobicContact CD2-CE2 4.08Å; L143-Y150 HydrophobicContact CG-CE2 3.86Å; L144-Y150 HydrophobicContact CD2-CD2 4.26Å; L144-Y150 HydrophobicContact CD2-CG 4.25Å; N147-Y150 HydrophobicContact CB-CD2 3.69Å; N147-Y150 HydrophobicContact CB-CE2 3.45Å; N147-Y150 VanDerWaalsContact CB-CE2 3.45Å; N147-Y150 WeakPolarHBondContact O-CD2 3.18Å; P148-Y150 VanDerWaalsContact C-N 3.35Å; P148-Y150 PolarHBondContact O-N 3.29Å; Y150-K153 PolarHBondContact O-N 3.37Å; Y150-L154 WeakPolarHBondContact O-CB 3.47Å; Y150-L154 PolarHBondContact O-N 3.03Å; Y150-A482 HydrophobicContact CD1-CB 4.49Å; Y150-A482 HydrophobicContact CE1-CB 4.17Å; Y150-D487 WeakPolarHBondContact CE1-OD1 3.46Å; Y150-D487 VanDerWaalsContact CE1-OD2 3.3Å; Y150-D487 WeakPolarHBondContact CE1-OD2 3.49Å; Y150-D487 PolarHBondContact OH-OD1 3.14Å; Y150-D487 PolarHBondContact OH-OD2 3.49Å; Y150-I489 HydrophobicContact CD1-CD1 3.85Å; Y150-I489 HydrophobicContact CD1-CG2 4.49Å; Y150-I489 HydrophobicContact CD2-CD1 4.49Å; Y150-I489 HydrophobicContact CE1-CB 4.08Å; Y150-I489 HydrophobicContact CE1-CD1 4.14Å; Y150-I489 HydrophobicContact CE1-CG2 3.96Å; Y150-I489 HydrophobicContact CG-CD1 4.04Å
151L90.4Very high82.4Confident2 Ų237.2 Ų37.21%0.0119%0.193CC..Hα-helixtrans-69-35.3-179.5-65.6-178.9000111.7L144 P148 L154 I155 I171 L174 Y175 L190L144-L151 HydrophobicContact CB-CD1 4.22Å; L144-L151 HydrophobicContact CB-CD2 4.38Å; L144-L151 HydrophobicContact CB-CG 4.25Å; L144-L151 HydrophobicContact CD1-CD2 4.36Å; L144-L151 HydrophobicContact CD2-CD2 4.15Å; L144-L151 HydrophobicContact CD2-CG 4.36Å; P148-L151 PolarHBondContact O-N 3.15Å; L151-L154 HydrophobicContact CD2-CD2 4.31Å; L151-L154 PolarHBondContact O-N 2.92Å; L151-I155 WeakPolarHBondContact O-CD1 3.38Å; L151-I155 WeakPolarHBondContact O-CG1 3.39Å; L151-I155 PolarHBondContact O-N 3.09Å; L151-I171 HydrophobicContact CB-CD1 4.09Å; L151-I171 HydrophobicContact CD1-CD1 3.92Å; L151-I171 HydrophobicContact CD2-CD1 3.89Å; L151-I171 HydrophobicContact CG-CD1 4.19Å; L151-L174 HydrophobicContact CD1-CD1 4.26Å; L151-L174 HydrophobicContact CD2-CD1 4.27Å; L151-Y175 HydrophobicContact CD1-CE2 3.73Å; L151-L190 HydrophobicContact CB-CD1 3.7Å; L151-L190 HydrophobicContact CB-CD2 4.06Å; L151-L190 HydrophobicContact CD1-CD2 4.07Å
152A89.3Confident80.5Confident2 Ų244.3 Ų44.32%0.01722%0.224CC..Hα-helixtrans-59.1-52.6174.200000110.7P148 T149 L154 I155 F156 L190 T193 A194P148-A152 WeakPolarHBondContact O-CB 3.43Å; P148-A152 PolarHBondContact O-N 3.38Å; T149-A152 PolarHBondContact O-N 3.13Å; A152-L154 VanDerWaalsContact C-N 3.33Å; A152-L154 PolarHBondContact O-N 3.29Å; A152-I155 WeakPolarHBondContact O-CB 3.4Å; A152-I155 PolarHBondContact O-N 3.32Å; A152-F156 WeakPolarHBondContact O-CD2 3.44Å; A152-F156 WeakPolarHBondContact O-CE2 3.45Å; A152-F156 PolarHBondContact O-N 2.89Å; A152-L190 HydrophobicContact CB-CD1 4.12Å; A152-T193 HydrophobicContact CB-CG2 4.01Å; A152-A194 HydrophobicContact CB-CB 3.97Å
153K87.4Confident78.9Confident65 Ų6545.6 Ų45.628%0.28324%0.237SC..Hα-helixtrans-61.2-40.6176.6-72.3176.9175.5-175.80112.2T149 Y150 I155 F156 Q157 I481T149-K153 HydrophobicContact CG2-CD 4.13Å; T149-K153 WeakPolarHBondContact O-CB 3.42Å; T149-K153 WeakPolarHBondContact O-CG 3.39Å; T149-K153 PolarHBondContact O-N 3.43Å; Y150-K153 PolarHBondContact O-N 3.37Å; K153-I155 VanDerWaalsContact C-N 3.34Å; K153-I155 PolarHBondContact O-N 2.73Å; K153-F156 WeakPolarHBondContact O-CB 3.28Å; K153-F156 PolarHBondContact O-N 3.12Å; K153-Q157 PolarHBondContact O-N 3.01Å; K153-I481 HydrophobicContact CB-CB 4.49Å; K153-I481 HydrophobicContact CB-CG2 4.21Å; K153-I481 VanDerWaalsContact CD-O 3.25Å; K153-I481 WeakPolarHBondContact CD-O 3.28Å; K153-I481 PolarHBondContact NZ-O 3.34Å
154L86.9Confident77.5Confident5 Ų546.4 Ų46.43%0.02624%0.243CC..Hα-helixtrans-59.6-43.7177.2-174.262.9000111.7Y150 L151 A152 F156 Q157 M158 M167 L473 L474 H477 I481Y150-L154 WeakPolarHBondContact O-CB 3.47Å; Y150-L154 PolarHBondContact O-N 3.03Å; L151-L154 HydrophobicContact CD2-CD2 4.31Å; L151-L154 PolarHBondContact O-N 2.92Å; A152-L154 VanDerWaalsContact C-N 3.33Å; A152-L154 PolarHBondContact O-N 3.29Å; L154-F156 PolarHBondContact O-N 3.47Å; L154-F156 VanDerWaalsContact O-N 3.16Å; L154-Q157 PolarHBondContact O-N 3.26Å; L154-Q157 VanDerWaalsContact O-N 3.17Å; L154-M158 WeakPolarHBondContact O-CG 3.3Å; L154-M167 HydrophobicContact CD2-CE 4.46Å; L154-M167 HydrophobicContact CG-CE 4.38Å; L154-L473 HydrophobicContact CD1-CB 4.38Å; L154-L474 HydrophobicContact CD2-CD2 4.18Å; L154-H477 HydrophobicContact CD1-CB 4.02Å; L154-I481 HydrophobicContact CB-CG2 3.95Å; L154-I481 HydrophobicContact CD1-CG2 4.25Å
155I85.9Confident76.2Confident5 Ų552.8 Ų52.83%0.02627%0.271CS..Hα-helixtrans-55.9-32.9176.2-70.1160.9000111.3L151 A152 K153 M167 T215 V216 M219L151-I155 WeakPolarHBondContact O-CD1 3.38Å; L151-I155 WeakPolarHBondContact O-CG1 3.39Å; L151-I155 PolarHBondContact O-N 3.09Å; A152-I155 WeakPolarHBondContact O-CB 3.4Å; A152-I155 PolarHBondContact O-N 3.32Å; K153-I155 VanDerWaalsContact C-N 3.34Å; K153-I155 PolarHBondContact O-N 2.73Å; I155-M167 HydrophobicContact CG1-CE 3.81Å; I155-T215 HydrophobicContact CG2-CG2 3.85Å; I155-V216 HydrophobicContact CG2-CG2 4.47Å; I155-M219 HydrophobicContact CD1-CE 4.13Å; I155-M219 HydrophobicContact CD1-SD 4.05Å; I155-M219 HydrophobicContact CG1-SD 4.23Å; I155-M219 HydrophobicContact CG2-SD 4.02Å
156F80.3Confident75.2Confident25 Ų2555.7 Ų55.711%0.1128%0.284CS..Hα-helixtrans-77.1-30.5179.9-73-69.1000115.5A152 K153 L154 M158 A194 E197 E198 K202 V216A152-F156 WeakPolarHBondContact O-CD2 3.44Å; A152-F156 WeakPolarHBondContact O-CE2 3.45Å; A152-F156 PolarHBondContact O-N 2.89Å; K153-F156 WeakPolarHBondContact O-CB 3.28Å; K153-F156 PolarHBondContact O-N 3.12Å; L154-F156 PolarHBondContact O-N 3.47Å; L154-F156 VanDerWaalsContact O-N 3.16Å; F156-M158 PolarHBondContact O-N 3.18Å; F156-A194 VanDerWaalsContact CZ-O 3.23Å; F156-A194 WeakPolarHBondContact CZ-O 3.29Å; F156-E197 HydrophobicContact CD2-CB 4.49Å; F156-E197 HydrophobicContact CD2-CG 4Å; F156-E197 HydrophobicContact CE2-CB 3.63Å; F156-E197 HydrophobicContact CE2-CG 3.61Å; F156-E197 HydrophobicContact CZ-CB 3.99Å; F156-E197 HydrophobicContact CZ-CG 4.18Å; F156-E198 VanDerWaalsContact CE1-CA 3.43Å; F156-E198 HydrophobicContact CE1-CB 3.54Å; F156-E198 HydrophobicContact CE1-CG 3.83Å; F156-E198 HydrophobicContact CZ-CB 3.51Å; F156-E198 HydrophobicContact CZ-CG 4.29Å; F156-K202 HydrophobicContact CD1-CD 4.01Å; F156-K202 HydrophobicContact CE1-CD 4.27Å; F156-K202 PolarHBondContact O-NZ 3.46Å; F156-V216 HydrophobicContact CZ-CG2 4.29Å
157Q79.4Confident74.5Confident91 Ų9154.9 Ų54.943%0.42528%0.278SS..Hα-helixtrans-74.8-11.9-179.8-60.7-53.9-33.300112.5K153 L154 H477 A480K153-Q157 PolarHBondContact O-N 3.01Å; L154-Q157 PolarHBondContact O-N 3.26Å; L154-Q157 VanDerWaalsContact O-N 3.17Å; Q157-H477 HydrophobicContact CB-CB 4.47Å; Q157-H477 HydrophobicContact CG-CB 4.47Å; Q157-A480 HydrophobicContact CG-CB 3.84Å
158M73.4Confident73.8Confident26 Ų2652.5 Ų52.513%0.12827%0.265CS..SBendtrans-76133.7-177.2-64.5-57.7-72.200112.3L154 F156 Q160 M167 L473L154-M158 WeakPolarHBondContact O-CG 3.3Å; F156-M158 PolarHBondContact O-N 3.18Å; M158-Q160 PolarHBondContact O-N 2.8Å; M158-M167 HydrophobicContact CE-CG 4.26Å; M158-M167 HydrophobicContact CE-SD 4.17Å; M158-M167 HydrophobicContact CG-CE 4.3Å; M158-M167 HydrophobicContact CG-CG 4.09Å; M158-M167 HydrophobicContact CG-SD 3.99Å; M158-M167 HydrophobicContact SD-SD 4.38Å; M158-L473 HydrophobicContact CE-CD1 4.39Å; M158-L473 HydrophobicContact CE-CD2 3.95Å; M158-L473 HydrophobicContact SD-CD2 3.88Å
159P67.2Low73.1Confident64 Ų6453.9 Ų53.942%0.41628%0.275SS..  trans-66.5136.6174.6-0.99.3000110.4N161 K162P159-N161 PolarHBondContact O-N 2.77Å; P159-K162 HydrophobicContact CB-CG 4.48Å; P159-K162 HydrophobicContact CG-CB 4.2Å; P159-K162 HydrophobicContact CG-CD 3.88Å; P159-K162 HydrophobicContact CG-CG 3.94Å; P159-K162 PolarHBondContact O-N 3.03Å
160Q60.8Low72.6Confident98 Ų9850.8 Ų50.846%0.45826%0.256SS..THydrogen-bonded Turntrans-54.5-21.3179-66.1-65.3-47.600114M158 T215M158-Q160 PolarHBondContact O-N 2.8Å; Q160-T215 PolarHBondContact NE2-OG1 2.98Å
161N52.8Low72.4Confident159 Ų15950.2 Ų50.285%0.8525%0.254SS*.THydrogen-bonded Turntrans-95.2-17.5-177.9-64.4-15.6000114.3P159 S163P159-N161 PolarHBondContact O-N 2.77Å; N161-S163 PolarHBondContact O-N 3.4Å; N161-S163 VanDerWaalsContact O-N 3.11Å
162K50.8Low72.2Confident150 Ų15050.5 Ų50.565%0.65226%0.255SS*.SBendtrans-84.986.3174.3-73-169-172.3176.70108.6P159 T164P159-K162 HydrophobicContact CB-CG 4.48Å; P159-K162 HydrophobicContact CG-CB 4.2Å; P159-K162 HydrophobicContact CG-CD 3.88Å; P159-K162 HydrophobicContact CG-CG 3.94Å; P159-K162 PolarHBondContact O-N 3.03Å; K162-T164 PolarHBondContact O-N 2.7Å
163S51.5Low72Confident61 Ų6150.4 Ų50.443%0.42725%0.254SS..  trans16.998.3168.9-172.30000116.3N161 K165 F166N161-S163 PolarHBondContact O-N 3.4Å; N161-S163 VanDerWaalsContact O-N 3.11Å; S163-K165 PolarHBondContact O-N 2.85Å; S163-K165 WeakPolarHBondContact OG-CB 3.2Å; S163-K165 PolarHBondContact OG-N 3.25Å; S163-F166 PolarHBondContact O-N 2.87Å
164T58.7Low71.9Confident28 Ų2847.3 Ų47.317%0.17224%0.241CC..Hα-helixtrans-51-22165.5580000113K162 F166 M167 D168 K218K162-T164 PolarHBondContact O-N 2.7Å; T164-F166 VanDerWaalsContact C-N 3.26Å; T164-F166 PolarHBondContact O-N 2.88Å; T164-M167 PolarHBondContact O-N 3.06Å; T164-D168 WeakPolarHBondContact O-CB 3.43Å; T164-D168 PolarHBondContact O-N 3.12Å; T164-K218 HydrophobicContact CG2-CD 4.12Å; T164-K218 WeakPolarHBondContact OG1-CE 3.08Å; T164-K218 PolarHBondContact OG1-NZ 3.41Å
165K62.1Low71.9Confident135 Ų13547.1 Ų47.159%0.58724%0.24SC*.Hα-helixtrans-63-32.5175.2-58.5-172.1171.2-167.80112.8N73 S163 S169N73-K165 PolarHBondContact OD1-NZ 2.99Å; S163-K165 PolarHBondContact O-N 2.85Å; S163-K165 WeakPolarHBondContact OG-CB 3.2Å; S163-K165 PolarHBondContact OG-N 3.25Å; K165-S169 WeakPolarHBondContact O-CB 3.38Å; K165-S169 PolarHBondContact O-N 2.87Å
166F65.9Low71.7Confident65 Ų6546.9 Ų46.929%0.28524%0.239SC..Hα-helixtrans-71.9-47.2-179.9179.7-94.2000111S163 T164 D168 S169 V170 N469 L473S163-F166 PolarHBondContact O-N 2.87Å; T164-F166 VanDerWaalsContact C-N 3.26Å; T164-F166 PolarHBondContact O-N 2.88Å; F166-D168 VanDerWaalsContact C-N 3.35Å; F166-S169 WeakPolarHBondContact O-CB 3.38Å; F166-S169 PolarHBondContact O-N 3.42Å; F166-S169 VanDerWaalsContact O-N 3.13Å; F166-V170 HydrophobicContact CD1-CG2 4.24Å; F166-V170 HydrophobicContact CE1-CG2 3.48Å; F166-V170 VanDerWaalsContact CE1-CG2 3.48Å; F166-V170 HydrophobicContact CE2-CG2 3.91Å; F166-V170 HydrophobicContact CZ-CG2 3.26Å; F166-V170 PolarHBondContact O-N 3.22Å; F166-N469 HydrophobicContact CE1-CB 4.33Å; F166-N469 HydrophobicContact CE2-CB 3.99Å; F166-N469 HydrophobicContact CZ-CB 3.37Å; F166-L473 HydrophobicContact CD1-CD1 4.32Å; F166-L473 HydrophobicContact CE1-CD1 3.61Å
167M68.8Low71.7Confident12 Ų1246.4 Ų46.46%0.05924%0.236CC..Hα-helixtrans-64.1-40.2175.4-72.5-59.6-67.600111.9L154 I155 M158 T164 S169 V170 I171 L473L154-M167 HydrophobicContact CD2-CE 4.46Å; L154-M167 HydrophobicContact CG-CE 4.38Å; I155-M167 HydrophobicContact CG1-CE 3.81Å; M158-M167 HydrophobicContact CE-CG 4.26Å; M158-M167 HydrophobicContact CE-SD 4.17Å; M158-M167 HydrophobicContact CG-CE 4.3Å; M158-M167 HydrophobicContact CG-CG 4.09Å; M158-M167 HydrophobicContact CG-SD 3.99Å; M158-M167 HydrophobicContact SD-SD 4.38Å; T164-M167 PolarHBondContact O-N 3.06Å; M167-S169 VanDerWaalsContact C-N 3.3Å; M167-S169 PolarHBondContact O-N 3.17Å; M167-V170 PolarHBondContact O-N 3.09Å; M167-I171 HydrophobicContact CE-CD1 4.35Å; M167-I171 HydrophobicContact CE-CG1 4.18Å; M167-I171 VanDerWaalsContact O-CB 3.3Å; M167-I171 WeakPolarHBondContact O-CB 3.31Å; M167-I171 VanDerWaalsContact O-CG1 3.28Å; M167-I171 WeakPolarHBondContact O-CG1 3.37Å; M167-I171 PolarHBondContact O-N 3.15Å; M167-L473 HydrophobicContact SD-CD1 4.13Å
168D69.8Low71.7Confident15 Ų1542 Ų428%0.0822%0.216CC..Hα-helixtrans-55.2-47.6170.8-75.61.3000110.3T164 F166 F172 M219 S222T164-D168 WeakPolarHBondContact O-CB 3.43Å; T164-D168 PolarHBondContact O-N 3.12Å; F166-D168 VanDerWaalsContact C-N 3.35Å; D168-F172 HydrophobicContact CB-CD2 4.09Å; D168-F172 HydrophobicContact CB-CE2 3.66Å; D168-F172 HydrophobicContact CB-CZ 4.22Å; D168-F172 WeakPolarHBondContact O-CB 3.48Å; D168-F172 WeakPolarHBondContact O-CD2 3.46Å; D168-F172 WeakPolarHBondContact O-CG 3.48Å; D168-F172 PolarHBondContact O-N 3.31Å; D168-M219 WeakPolarHBondContact OD1-CG 3.26Å; D168-S222 WeakPolarHBondContact OD2-CB 3.35Å; D168-S222 PolarHBondContact OD2-OG 3.5Å
169S73.4Confident71.7Confident40 Ų4041.6 Ų41.628%0.2822%0.215SC..Hα-helixtrans-61.4-51.2178.1-164.90000112K165 F166 M167 T173 E466K165-S169 WeakPolarHBondContact O-CB 3.38Å; K165-S169 PolarHBondContact O-N 2.87Å; F166-S169 WeakPolarHBondContact O-CB 3.38Å; F166-S169 PolarHBondContact O-N 3.42Å; F166-S169 VanDerWaalsContact O-N 3.13Å; M167-S169 VanDerWaalsContact C-N 3.3Å; M167-S169 PolarHBondContact O-N 3.17Å; S169-T173 WeakPolarHBondContact O-CB 3.14Å; S169-T173 PolarHBondContact O-N 3.28Å; S169-T173 PolarHBondContact O-OG1 3.33Å; S169-E466 PolarHBondContact OG-OE1 3.43Å
170V78.8Confident72Confident6 Ų639.4 Ų39.44%0.03620%0.2CC..Hα-helixtrans-66.7-49-176.2172.20000111.7F166 M167 T173 L174 T470F166-V170 HydrophobicContact CD1-CG2 4.24Å; F166-V170 HydrophobicContact CE1-CG2 3.48Å; F166-V170 VanDerWaalsContact CE1-CG2 3.48Å; F166-V170 HydrophobicContact CE2-CG2 3.91Å; F166-V170 HydrophobicContact CZ-CG2 3.26Å; F166-V170 PolarHBondContact O-N 3.22Å; M167-V170 PolarHBondContact O-N 3.09Å; V170-T173 PolarHBondContact O-N 3.15Å; V170-L174 HydrophobicContact CG1-CD1 4.07Å; V170-L174 HydrophobicContact CG1-CG 4.43Å; V170-L174 WeakPolarHBondContact O-CB 3.46Å; V170-L174 VanDerWaalsContact O-CG 3.31Å; V170-L174 WeakPolarHBondContact O-CG 3.43Å; V170-L174 PolarHBondContact O-N 3.14Å; V170-T470 HydrophobicContact CG1-CG2 4.24Å; V170-T470 VanDerWaalsContact CG1-OG1 3.27Å; V170-T470 WeakPolarHBondContact CG1-OG1 3.49Å
171I87.2Confident72.7Confident0 Ų037.8 Ų37.80%019%0.192CC..Hα-helixtrans-63.9-48.5-179.9-63.1-65.5000109.7L151 M167 T173 L174 Y175 L187 L190 M219L151-I171 HydrophobicContact CB-CD1 4.09Å; L151-I171 HydrophobicContact CD1-CD1 3.92Å; L151-I171 HydrophobicContact CD2-CD1 3.89Å; L151-I171 HydrophobicContact CG-CD1 4.19Å; M167-I171 HydrophobicContact CE-CD1 4.35Å; M167-I171 HydrophobicContact CE-CG1 4.18Å; M167-I171 VanDerWaalsContact O-CB 3.3Å; M167-I171 WeakPolarHBondContact O-CB 3.31Å; M167-I171 VanDerWaalsContact O-CG1 3.28Å; M167-I171 WeakPolarHBondContact O-CG1 3.37Å; M167-I171 PolarHBondContact O-N 3.15Å; I171-T173 VanDerWaalsContact C-N 3.33Å; I171-T173 PolarHBondContact O-N 2.89Å; I171-L174 PolarHBondContact O-N 2.94Å; I171-Y175 HydrophobicContact CG2-CD2 4.15Å; I171-Y175 HydrophobicContact CG2-CE2 4.29Å; I171-Y175 VanDerWaalsContact O-CD2 3.26Å; I171-Y175 WeakPolarHBondContact O-CD2 3.31Å; I171-Y175 PolarHBondContact O-N 3.37Å; I171-Y175 VanDerWaalsContact O-N 3.14Å; I171-L187 HydrophobicContact CG2-CD1 4.05Å; I171-L190 HydrophobicContact CD1-CD2 4.4Å; I171-L190 HydrophobicContact CG2-CD2 3.76Å; I171-M219 HydrophobicContact CB-CE 4.11Å; I171-M219 HydrophobicContact CG1-CE 4.01Å; I171-M219 HydrophobicContact CG2-CE 4.2Å
172F86.3Confident73.9Confident8 Ų832.1 Ų32.14%0.03516%0.159CC..Hα-helixtrans-66.8-36-179.9-56-22.3000111.8D168 Y175 N176 Y177 F191 F223D168-F172 HydrophobicContact CB-CD2 4.09Å; D168-F172 HydrophobicContact CB-CE2 3.66Å; D168-F172 HydrophobicContact CB-CZ 4.22Å; D168-F172 WeakPolarHBondContact O-CB 3.48Å; D168-F172 WeakPolarHBondContact O-CD2 3.46Å; D168-F172 WeakPolarHBondContact O-CG 3.48Å; D168-F172 PolarHBondContact O-N 3.31Å; F172-Y175 CarbonylContact O-C 3.55Å; F172-Y175 PolarHBondContact O-N 3.17Å; F172-N176 CarbonylContact O-C 3.53Å; F172-N176 PolarHBondContact O-N 3.29Å; F172-Y177 HydrophobicContact CB-CD1 3.63Å; F172-Y177 HydrophobicContact CB-CE1 3.67Å; F172-Y177 HydrophobicContact CB-CG 4.16Å; F172-Y177 HydrophobicContact CD2-CD1 4.44Å; F172-Y177 HydrophobicContact CD2-CE1 4.32Å; F172-Y177 HydrophobicContact CG-CD1 4.38Å; F172-Y177 HydrophobicContact CG-CE1 4.48Å; F172-Y177 PolarHBondContact O-N 3.22Å; F172-F191 HydrophobicContact CE1-CE1 4.37Å; F172-F191 AromaticContact CE1-CZ 3.9Å; F172-F191 HydrophobicContact CE1-CZ 3.9Å; F172-F223 AromaticContact CD1-CD2 3.9Å; F172-F223 HydrophobicContact CD1-CD2 3.9Å; F172-F223 HydrophobicContact CD2-CD2 4.46Å; F172-F223 HydrophobicContact CE1-CB 3.89Å; F172-F223 AromaticContact CE1-CD2 3.93Å; F172-F223 HydrophobicContact CE1-CD2 3.93Å; F172-F223 HydrophobicContact CE1-CG 4.25Å; F172-F223 HydrophobicContact CE2-CB 4.21Å; F172-F223 HydrophobicContact CE2-CD2 4.45Å; F172-F223 HydrophobicContact CG-CD2 4.22Å; F172-F223 HydrophobicContact CZ-CB 3.62Å; F172-F223 HydrophobicContact CZ-CD2 4.21Å; F172-F223 HydrophobicContact CZ-CG 4.37Å
173T84.4Confident75.4Confident0 Ų025.1 Ų25.10%013%0.129CC..Hα-helixtrans-60.1-47.3171.6-780000111.9R66 S169 V170 I171 Y175 N176 I462 E466R66-T173 PolarHBondContact NH2-OG1 3.39Å; S169-T173 WeakPolarHBondContact O-CB 3.14Å; S169-T173 PolarHBondContact O-N 3.28Å; S169-T173 PolarHBondContact O-OG1 3.33Å; V170-T173 PolarHBondContact O-N 3.15Å; I171-T173 VanDerWaalsContact C-N 3.33Å; I171-T173 PolarHBondContact O-N 2.89Å; T173-Y175 PolarHBondContact O-N 2.88Å; T173-N176 PolarHBondContact O-N 3.1Å; T173-I462 HydrophobicContact CG2-CB 3.92Å; T173-I462 HydrophobicContact CG2-CD1 3.99Å; T173-I462 HydrophobicContact CG2-CG1 3.66Å; T173-E466 WeakPolarHBondContact CB-OE1 3.25Å; T173-E466 PolarHBondContact OG1-OE1 3.22Å
174L86.4Confident77Confident1 Ų124 Ų241%0.00512%0.117CC..Hα-helixtrans-59.3-33.5178.9-76.5174000112F141 Q145 L151 V170 I171 I460 I462 T470F141-L174 HydrophobicContact CB-CD2 4.2Å; F141-L174 HydrophobicContact CD1-CD2 3.42Å; F141-L174 VanDerWaalsContact CD1-CD2 3.42Å; F141-L174 HydrophobicContact CE1-CD2 3.89Å; F141-L174 HydrophobicContact CG-CD2 3.84Å; Q145-L174 PolarHBondContact NE2-O 2.85Å; L151-L174 HydrophobicContact CD1-CD1 4.26Å; L151-L174 HydrophobicContact CD2-CD1 4.27Å; V170-L174 HydrophobicContact CG1-CD1 4.07Å; V170-L174 HydrophobicContact CG1-CG 4.43Å; V170-L174 WeakPolarHBondContact O-CB 3.46Å; V170-L174 VanDerWaalsContact O-CG 3.31Å; V170-L174 WeakPolarHBondContact O-CG 3.43Å; V170-L174 PolarHBondContact O-N 3.14Å; I171-L174 PolarHBondContact O-N 2.94Å; L174-I460 HydrophobicContact CD2-CD1 4.44Å; L174-I462 HydrophobicContact CD2-CD1 4.43Å; L174-T470 HydrophobicContact CD1-CG2 4.46Å
175Y86.8Confident78.3Confident0 Ų024.1 Ų24.10%011%0.114CC..THydrogen-bonded Turntrans-98.918.2175.2-64.9-83.3000113.3L144 Q145 L151 I171 F172 T173 Y177 A178 E183 L186 L187 L190L144-Y175 PolarHBondContact O-OH 3.26Å; Q145-Y175 HydrophobicContact CB-CE1 4.14Å; Q145-Y175 HydrophobicContact CG-CD1 4.25Å; Q145-Y175 HydrophobicContact CG-CE1 3.99Å; Q145-Y175 PolarHBondContact O-OH 3.44Å; L151-Y175 HydrophobicContact CD1-CE2 3.73Å; I171-Y175 HydrophobicContact CG2-CD2 4.15Å; I171-Y175 HydrophobicContact CG2-CE2 4.29Å; I171-Y175 VanDerWaalsContact O-CD2 3.26Å; I171-Y175 WeakPolarHBondContact O-CD2 3.31Å; I171-Y175 PolarHBondContact O-N 3.37Å; I171-Y175 VanDerWaalsContact O-N 3.14Å; F172-Y175 CarbonylContact O-C 3.55Å; F172-Y175 PolarHBondContact O-N 3.17Å; T173-Y175 PolarHBondContact O-N 2.88Å; Y175-Y177 PolarHBondContact O-N 3.43Å; Y175-A178 WeakPolarHBondContact O-CA 2.97Å; Y175-A178 PolarHBondContact O-N 3.4Å; Y175-E183 WeakPolarHBondContact O-CB 3.3Å; Y175-L186 HydrophobicContact CD1-CB 3.99Å; Y175-L186 HydrophobicContact CE1-CB 3.58Å; Y175-L187 HydrophobicContact CD1-CB 4.19Å; Y175-L187 HydrophobicContact CD2-CD1 3.8Å; Y175-L187 HydrophobicContact CE2-CD1 4.32Å; Y175-L187 HydrophobicContact CG-CB 4.06Å; Y175-L187 HydrophobicContact CG-CD1 4.12Å; Y175-L190 HydrophobicContact CD2-CD2 4.47Å; Y175-L190 HydrophobicContact CE2-CD2 3.56Å
176N81.2Confident79.5Confident1 Ų118.3 Ų18.31%0.0059%0.09CC..G310 helixtrans42.841.5-176.6-63.8-48.8000114.3V62 F172 T173 A178 S179 E183 V459 I460 Y461V62-N176 HydrophobicContact CG2-CB 4.05Å; F172-N176 CarbonylContact O-C 3.53Å; F172-N176 PolarHBondContact O-N 3.29Å; T173-N176 PolarHBondContact O-N 3.1Å; N176-A178 PolarHBondContact O-N 3.06Å; N176-A178 VanDerWaalsContact O-N 3.09Å; N176-S179 WeakPolarHBondContact O-CB 3.44Å; N176-S179 PolarHBondContact O-N 2.89Å; N176-E183 WeakPolarHBondContact CB-OE2 3.22Å; N176-E183 PolarHBondContact ND2-OE1 3.28Å; N176-V459 PolarHBondContact ND2-O 3.01Å; N176-I460 WeakPolarHBondContact OD1-CA 3.19Å; N176-Y461 PolarHBondContact OD1-N 3.4Å; N176-Y461 VanDerWaalsContact OD1-N 3.13Å
177Y80.1Confident80.7Confident14 Ų1415.3 Ų15.36%0.0558%0.076CC..G310 helixtrans54.927.6-176.4-60-96.9000113.5V62 I65 R66 Q69 F172 Y175 S179 R228V62-Y177 HydrophobicContact CG1-CD2 4.49Å; I65-Y177 HydrophobicContact CG2-CD1 3.92Å; I65-Y177 HydrophobicContact CG2-CD2 4.33Å; I65-Y177 HydrophobicContact CG2-CE1 3.94Å; I65-Y177 HydrophobicContact CG2-CE2 4.36Å; I65-Y177 HydrophobicContact CG2-CG 4.11Å; R66-Y177 HydrophobicContact CG-CE2 4.11Å; Q69-Y177 PolarHBondContact OE1-OH 3.16Å; F172-Y177 HydrophobicContact CB-CD1 3.63Å; F172-Y177 HydrophobicContact CB-CE1 3.67Å; F172-Y177 HydrophobicContact CB-CG 4.16Å; F172-Y177 HydrophobicContact CD2-CD1 4.44Å; F172-Y177 HydrophobicContact CD2-CE1 4.32Å; F172-Y177 HydrophobicContact CG-CD1 4.38Å; F172-Y177 HydrophobicContact CG-CE1 4.48Å; F172-Y177 PolarHBondContact O-N 3.22Å; Y175-Y177 PolarHBondContact O-N 3.43Å; Y177-S179 VanDerWaalsContact C-N 3.32Å; Y177-S179 PolarHBondContact O-N 3.12Å; Y177-R228 WeakPolarHBondContact O-CD 3.43Å
178A79.6Confident81.7Confident0 Ų014.9 Ų14.90%08%0.075CC..G310 helixtrans49.351.4-170.600000112.1Y175 N176 N180 E183 E184 L187 F223 R228Y175-A178 WeakPolarHBondContact O-CA 2.97Å; Y175-A178 PolarHBondContact O-N 3.4Å; N176-A178 PolarHBondContact O-N 3.06Å; N176-A178 VanDerWaalsContact O-N 3.09Å; A178-N180 PolarHBondContact O-N 3.41Å; A178-E183 HydrophobicContact CB-CB 4.4Å; A178-E184 HydrophobicContact CB-CB 3.85Å; A178-E184 HydrophobicContact CB-CG 4.3Å; A178-L187 HydrophobicContact CB-CD2 4.01Å; A178-F223 HydrophobicContact CB-CE2 4.33Å; A178-F223 HydrophobicContact CB-CZ 3.83Å; A178-R228 PolarHBondContact O-NH1 2.65Å
179S72.6Confident82.7Confident16 Ų1617.6 Ų17.611%0.1129%0.086CC..  trans-58.1-31.4178.1710000112.1N176 Y177 E183N176-S179 WeakPolarHBondContact O-CB 3.44Å; N176-S179 PolarHBondContact O-N 2.89Å; Y177-S179 VanDerWaalsContact C-N 3.32Å; Y177-S179 PolarHBondContact O-N 3.12Å; S179-E183 PolarHBondContact N-OE2 3.02Å; S179-E183 PolarHBondContact OG-OE2 3.29Å
180N73.1Confident83.6Confident18 Ų1815.7 Ų15.710%0.0967%0.072CC..SBendtrans-124.7170.7-178.566.653.5000113.4A178 R182 E183 E184A178-N180 PolarHBondContact O-N 3.41Å; N180-R182 PolarHBondContact O-N 3.38Å; N180-R182 PolarHBondContact OD1-N 3.1Å; N180-R182 VanDerWaalsContact OD1-N 3.12Å; N180-E183 PolarHBondContact N-OE2 2.75Å; N180-E183 PolarHBondContact ND2-OE1 3.13Å; N180-E183 PolarHBondContact ND2-OE2 3.41Å; N180-E183 VanDerWaalsContact ND2-OE2 3.16Å; N180-E183 PolarHBondContact O-N 3.36Å; N180-E183 WeakPolarHBondContact OD1-CB 3.39Å; N180-E183 VanDerWaalsContact OD1-CG 3.32Å; N180-E183 WeakPolarHBondContact OD1-CG 3.47Å; N180-E183 PolarHBondContact OD1-N 2.94Å; N180-E184 WeakPolarHBondContact O-CB 3.32Å; N180-E184 PolarHBondContact O-N 3.36Å
181Q75.4Confident84.3Confident65 Ų6515.5 Ų15.530%0.3047%0.071SC..Hα-helixtrans-62.5-38-176.2-172.5174.96.300113.2Y185 F444Q181-Y185 WeakPolarHBondContact O-CB 3.33Å; Q181-Y185 PolarHBondContact O-N 3.45Å; Q181-F444 HydrophobicContact CG-CD1 3.38Å; Q181-F444 HydrophobicContact CG-CE1 3.85Å; Q181-F444 PolarHBondContact NE2-O 2.95Å
182R79.9Confident84.6Confident39 Ų3918.9 Ų18.915%0.1479%0.086CC..Hα-helixtrans-66.1-50.2178.9175.4-173.8166.2-82.7-0.4110.8N180 E184 Y185 L186N180-R182 PolarHBondContact O-N 3.38Å; N180-R182 PolarHBondContact OD1-N 3.1Å; N180-R182 VanDerWaalsContact OD1-N 3.12Å; R182-E184 VanDerWaalsContact C-N 3.3Å; R182-E184 PolarHBondContact O-N 3.49Å; R182-Y185 WeakPolarHBondContact O-CB 3.45Å; R182-Y185 PolarHBondContact O-N 2.96Å; R182-L186 HydrophobicContact CG-CD1 4.04Å; R182-L186 WeakPolarHBondContact O-CG 3.41Å; R182-L186 PolarHBondContact O-N 3.26Å
183E82.3Confident84.9Confident3 Ų320.3 Ų20.31%0.01410%0.095CC..Hα-helixtrans-62.7-38.7178.3-70.5157.6-172.600111.6Y175 N176 A178 S179 N180 L186 L187Y175-E183 WeakPolarHBondContact O-CB 3.3Å; N176-E183 WeakPolarHBondContact CB-OE2 3.22Å; N176-E183 PolarHBondContact ND2-OE1 3.28Å; A178-E183 HydrophobicContact CB-CB 4.4Å; S179-E183 PolarHBondContact N-OE2 3.02Å; S179-E183 PolarHBondContact OG-OE2 3.29Å; N180-E183 PolarHBondContact N-OE2 2.75Å; N180-E183 PolarHBondContact ND2-OE1 3.13Å; N180-E183 PolarHBondContact ND2-OE2 3.41Å; N180-E183 VanDerWaalsContact ND2-OE2 3.16Å; N180-E183 PolarHBondContact O-N 3.36Å; N180-E183 WeakPolarHBondContact OD1-CB 3.39Å; N180-E183 VanDerWaalsContact OD1-CG 3.32Å; N180-E183 WeakPolarHBondContact OD1-CG 3.47Å; N180-E183 PolarHBondContact OD1-N 2.94Å; E183-L186 PolarHBondContact O-N 2.89Å; E183-L187 WeakPolarHBondContact O-CB 3.21Å; E183-L187 PolarHBondContact O-N 3.45Å
184E84.6Confident85.2Confident38 Ų3820.4 Ų20.418%0.17810%0.095CC..Hα-helixtrans-62.3-44.4174.2-167.8170.8-163.300111.9A178 N180 R182 L188 R228 F444A178-E184 HydrophobicContact CB-CB 3.85Å; A178-E184 HydrophobicContact CB-CG 4.3Å; N180-E184 WeakPolarHBondContact O-CB 3.32Å; N180-E184 PolarHBondContact O-N 3.36Å; R182-E184 VanDerWaalsContact C-N 3.3Å; R182-E184 PolarHBondContact O-N 3.49Å; E184-L188 HydrophobicContact CG-CD1 4.26Å; E184-L188 WeakPolarHBondContact O-CB 3.43Å; E184-L188 WeakPolarHBondContact O-CG 3.46Å; E184-L188 PolarHBondContact O-N 2.68Å; E184-R228 IonicContact OE1-CZ 2.74Å; E184-R228 IonicContact OE1-NH1 3.69Å; E184-R228 IonicContact OE1-NH2 3.3Å; E184-R228 PolarHBondContact OE1-NH2 3.39Å; E184-R228 IonicContact OE2-CZ 3.65Å; E184-R228 IonicContact OE2-NH1 3.78Å; E184-R228 IonicContact OE2-NH2 3.25Å; E184-R228 PolarHBondContact OE2-NH2 2.79Å; E184-F444 HydrophobicContact CB-CE1 4.01Å; E184-F444 HydrophobicContact CB-CZ 4.23Å; E184-F444 HydrophobicContact CG-CE1 4.04Å; E184-F444 HydrophobicContact CG-CZ 3.83Å
185Y86.4Confident85.5Confident30 Ų3020.4 Ų20.412%0.11810%0.095CC..Hα-helixtrans-59.3-51.1174.1169.6-97000111.6Q181 R182 L188 K189 L440 F444 V446Q181-Y185 WeakPolarHBondContact O-CB 3.33Å; Q181-Y185 PolarHBondContact O-N 3.45Å; R182-Y185 WeakPolarHBondContact O-CB 3.45Å; R182-Y185 PolarHBondContact O-N 2.96Å; Y185-L188 PolarHBondContact O-N 3.22Å; Y185-K189 HydrophobicContact CE1-CD 4.43Å; Y185-K189 WeakPolarHBondContact O-CB 3.48Å; Y185-K189 PolarHBondContact O-N 3.24Å; Y185-L440 HydrophobicContact CD2-CB 3.99Å; Y185-L440 HydrophobicContact CE2-CB 3.72Å; Y185-F444 HydrophobicContact CD2-CB 4.13Å; Y185-F444 AromaticContact CD2-CD2 3.94Å; Y185-F444 HydrophobicContact CD2-CD2 3.94Å; Y185-F444 HydrophobicContact CD2-CG 4.06Å; Y185-F444 HydrophobicContact CG-CG 4.49Å; Y185-V446 HydrophobicContact CD2-CG2 4.18Å; Y185-V446 HydrophobicContact CE2-CG2 4.39Å; Y185-V446 HydrophobicContact CG-CG2 4.35Å
186L87.3Confident85.8Confident14 Ų1423 Ų237%0.07311%0.108CC..Hα-helixtrans-67.2-38.6-177.3-64.2173.4000112.4Q145 Y175 R182 E183 K189 L190Q145-L186 HydrophobicContact CB-CD1 4.24Å; Y175-L186 HydrophobicContact CD1-CB 3.99Å; Y175-L186 HydrophobicContact CE1-CB 3.58Å; R182-L186 HydrophobicContact CG-CD1 4.04Å; R182-L186 WeakPolarHBondContact O-CG 3.41Å; R182-L186 PolarHBondContact O-N 3.26Å; E183-L186 PolarHBondContact O-N 2.89Å; L186-K189 WeakPolarHBondContact O-CB 3.22Å; L186-K189 PolarHBondContact O-N 3.15Å; L186-L190 PolarHBondContact O-N 2.9Å
187L89.9Confident86.2Confident1 Ų126.9 Ų26.91%0.00513%0.126CC..Hα-helixtrans-65.7-41.3175.9-179.361.8000111.5I171 Y175 A178 E183 K189 L190 F191 F223I171-L187 HydrophobicContact CG2-CD1 4.05Å; Y175-L187 HydrophobicContact CD1-CB 4.19Å; Y175-L187 HydrophobicContact CD2-CD1 3.8Å; Y175-L187 HydrophobicContact CE2-CD1 4.32Å; Y175-L187 HydrophobicContact CG-CB 4.06Å; Y175-L187 HydrophobicContact CG-CD1 4.12Å; A178-L187 HydrophobicContact CB-CD2 4.01Å; E183-L187 WeakPolarHBondContact O-CB 3.21Å; E183-L187 PolarHBondContact O-N 3.45Å; L187-K189 VanDerWaalsContact C-N 3.31Å; L187-L190 HydrophobicContact CD1-CD2 4.43Å; L187-L190 WeakPolarHBondContact O-CB 3.28Å; L187-L190 PolarHBondContact O-N 3.18Å; L187-F191 HydrophobicContact CD1-CE1 4.08Å; L187-F191 HydrophobicContact CD1-CE2 4.14Å; L187-F191 HydrophobicContact CD1-CZ 3.84Å; L187-F191 HydrophobicContact CD2-CE2 4.13Å; L187-F191 HydrophobicContact CD2-CZ 4.29Å; L187-F191 HydrophobicContact CG-CD2 4.26Å; L187-F191 HydrophobicContact CG-CE2 3.8Å; L187-F191 HydrophobicContact CG-CZ 4.01Å; L187-F191 WeakPolarHBondContact O-CG 3.42Å; L187-F191 PolarHBondContact O-N 3.17Å; L187-F223 HydrophobicContact CD2-CD1 4.42Å; L187-F223 HydrophobicContact CD2-CD2 3.89Å; L187-F223 HydrophobicContact CD2-CE1 4.12Å; L187-F223 HydrophobicContact CD2-CE2 3.56Å; L187-F223 HydrophobicContact CD2-CG 4.33Å; L187-F223 HydrophobicContact CD2-CZ 3.72Å
188L91Very high86.5Confident4 Ų426.7 Ų26.72%0.02113%0.125CC..Hα-helixtrans-67-34.5174.7-70.6175000112.1E184 Y185 F191 K192 Y323 G324 L440 F444E184-L188 HydrophobicContact CG-CD1 4.26Å; E184-L188 WeakPolarHBondContact O-CB 3.43Å; E184-L188 WeakPolarHBondContact O-CG 3.46Å; E184-L188 PolarHBondContact O-N 2.68Å; Y185-L188 PolarHBondContact O-N 3.22Å; L188-F191 HydrophobicContact CD2-CD2 4.27Å; L188-F191 PolarHBondContact O-N 3.48Å; L188-K192 WeakPolarHBondContact O-CB 3.38Å; L188-K192 PolarHBondContact O-N 3.03Å; L188-Y323 HydrophobicContact CD1-CD1 4.04Å; L188-Y323 HydrophobicContact CD1-CE1 3.97Å; L188-G324 VanDerWaalsContact CD2-CA 3.46Å; L188-L440 HydrophobicContact CB-CD1 4.39Å; L188-L440 HydrophobicContact CB-CD2 3.76Å; L188-L440 HydrophobicContact CD1-CD2 3.89Å; L188-L440 HydrophobicContact CG-CD2 4.48Å; L188-F444 HydrophobicContact CD1-CE2 3.84Å; L188-F444 HydrophobicContact CD1-CZ 3.85Å
189K90.6Very high87Confident72 Ų7226.8 Ų26.831%0.31313%0.126SC..Hα-helixtrans-62.9-43.8171.8-166-176.4179.6-177.70110.9P148 Y185 L186 L187 K192 T193 L440P148-K189 HydrophobicContact CG-CD 4.31Å; P148-K189 HydrophobicContact CG-CG 4.2Å; Y185-K189 HydrophobicContact CE1-CD 4.43Å; Y185-K189 WeakPolarHBondContact O-CB 3.48Å; Y185-K189 PolarHBondContact O-N 3.24Å; L186-K189 WeakPolarHBondContact O-CB 3.22Å; L186-K189 PolarHBondContact O-N 3.15Å; L187-K189 VanDerWaalsContact C-N 3.31Å; K189-K192 WeakPolarHBondContact O-CB 3.46Å; K189-K192 PolarHBondContact O-N 3.11Å; K189-T193 PolarHBondContact O-N 3.39Å; K189-T193 PolarHBondContact O-OG1 2.73Å; K189-T193 VanDerWaalsContact O-OG1 3.14Å; K189-L440 HydrophobicContact CB-CD1 4.34Å
190L91.8Very high87.7Confident0 Ų030.6 Ų30.60%014%0.141CC..Hα-helixtrans-59.4-49.7172.8173.261.6000111.8P148 L151 A152 I171 Y175 L186 L187 K192 T193 A194P148-L190 HydrophobicContact CB-CB 4.18Å; P148-L190 HydrophobicContact CB-CD1 4.11Å; P148-L190 WeakPolarHBondContact O-CD1 3.23Å; L151-L190 HydrophobicContact CB-CD1 3.7Å; L151-L190 HydrophobicContact CB-CD2 4.06Å; L151-L190 HydrophobicContact CD1-CD2 4.07Å; A152-L190 HydrophobicContact CB-CD1 4.12Å; I171-L190 HydrophobicContact CD1-CD2 4.4Å; I171-L190 HydrophobicContact CG2-CD2 3.76Å; Y175-L190 HydrophobicContact CD2-CD2 4.47Å; Y175-L190 HydrophobicContact CE2-CD2 3.56Å; L186-L190 PolarHBondContact O-N 2.9Å; L187-L190 HydrophobicContact CD1-CD2 4.43Å; L187-L190 WeakPolarHBondContact O-CB 3.28Å; L187-L190 PolarHBondContact O-N 3.18Å; L190-K192 VanDerWaalsContact C-N 3.3Å; L190-K192 PolarHBondContact O-N 2.92Å; L190-T193 PolarHBondContact O-N 2.73Å; L190-A194 VanDerWaalsContact O-CB 3.29Å; L190-A194 WeakPolarHBondContact O-CB 3.26Å; L190-A194 PolarHBondContact O-N 2.92Å
191F93.1Very high88.1Confident1 Ų133.3 Ų33.30%0.00416%0.161CC..Hα-helixtrans-60.9-38.8178.2-70.7-30.4000112.6F172 L187 L188 L195 M219 V220 F223 I328F172-F191 HydrophobicContact CE1-CE1 4.37Å; F172-F191 AromaticContact CE1-CZ 3.9Å; F172-F191 HydrophobicContact CE1-CZ 3.9Å; L187-F191 HydrophobicContact CD1-CE1 4.08Å; L187-F191 HydrophobicContact CD1-CE2 4.14Å; L187-F191 HydrophobicContact CD1-CZ 3.84Å; L187-F191 HydrophobicContact CD2-CE2 4.13Å; L187-F191 HydrophobicContact CD2-CZ 4.29Å; L187-F191 HydrophobicContact CG-CD2 4.26Å; L187-F191 HydrophobicContact CG-CE2 3.8Å; L187-F191 HydrophobicContact CG-CZ 4.01Å; L187-F191 WeakPolarHBondContact O-CG 3.42Å; L187-F191 PolarHBondContact O-N 3.17Å; L188-F191 HydrophobicContact CD2-CD2 4.27Å; L188-F191 PolarHBondContact O-N 3.48Å; F191-L195 WeakPolarHBondContact O-CB 3.3Å; F191-L195 PolarHBondContact O-N 3.43Å; F191-M219 HydrophobicContact CE1-CB 4.28Å; F191-V220 HydrophobicContact CB-CG2 3.99Å; F191-V220 HydrophobicContact CD1-CG2 3.81Å; F191-V220 HydrophobicContact CD2-CG2 3.76Å; F191-V220 HydrophobicContact CE1-CG2 4.14Å; F191-V220 HydrophobicContact CE2-CG2 4.1Å; F191-V220 HydrophobicContact CG-CG2 3.61Å; F191-V220 HydrophobicContact CZ-CG2 4.27Å; F191-F223 HydrophobicContact CE2-CB 4.33Å; F191-F223 HydrophobicContact CE2-CD1 4.09Å; F191-F223 HydrophobicContact CE2-CG 4.23Å; F191-F223 HydrophobicContact CZ-CB 4.09Å; F191-F223 HydrophobicContact CZ-CG 4.27Å; F191-I328 HydrophobicContact CB-CD1 3.57Å; F191-I328 HydrophobicContact CB-CG1 4.31Å
192K93.5Very high88.4Confident72 Ų7234.7 Ų34.731%0.31317%0.166SC..Hα-helixtrans-58.7-56.2173178.7-167.6-179179.80110.7L188 K189 L190 A194 L195 Q196 F327 V331L188-K192 WeakPolarHBondContact O-CB 3.38Å; L188-K192 PolarHBondContact O-N 3.03Å; K189-K192 WeakPolarHBondContact O-CB 3.46Å; K189-K192 PolarHBondContact O-N 3.11Å; L190-K192 VanDerWaalsContact C-N 3.3Å; L190-K192 PolarHBondContact O-N 2.92Å; K192-A194 PolarHBondContact O-N 3.31Å; K192-L195 PolarHBondContact O-N 3.17Å; K192-Q196 WeakPolarHBondContact O-CB 3.35Å; K192-Q196 VanDerWaalsContact O-CG 3.28Å; K192-Q196 WeakPolarHBondContact O-CG 3.29Å; K192-Q196 PolarHBondContact O-N 3.3Å; K192-F327 HydrophobicContact CB-CE1 4.13Å; K192-F327 HydrophobicContact CB-CZ 4.44Å; K192-F327 HydrophobicContact CD-CZ 4.13Å; K192-F327 HydrophobicContact CG-CZ 4.46Å; K192-V331 HydrophobicContact CB-CG2 4.48Å; K192-V331 HydrophobicContact CG-CG1 4Å; K192-V331 HydrophobicContact CG-CG2 3.98Å
193T92.6Very high88.6Confident38 Ų3833.3 Ų33.323%0.23316%0.162CC..Hα-helixtrans-60.6-45.7-177.4-59.50000111.4A152 K189 L190 Q196 E197A152-T193 HydrophobicContact CB-CG2 4.01Å; K189-T193 PolarHBondContact O-N 3.39Å; K189-T193 PolarHBondContact O-OG1 2.73Å; K189-T193 VanDerWaalsContact O-OG1 3.14Å; L190-T193 PolarHBondContact O-N 2.73Å; T193-Q196 PolarHBondContact O-N 3.25Å; T193-E197 WeakPolarHBondContact O-CB 3.47Å; T193-E197 PolarHBondContact O-N 3.47Å
194A91.7Very high88.8Confident1 Ų138.9 Ų38.91%0.00819%0.192CC..Hα-helixtrans-64.2-44.217800000111.6A152 F156 L190 K192 Q196 E197 E198 V216A152-A194 HydrophobicContact CB-CB 3.97Å; F156-A194 VanDerWaalsContact CZ-O 3.23Å; F156-A194 WeakPolarHBondContact CZ-O 3.29Å; L190-A194 VanDerWaalsContact O-CB 3.29Å; L190-A194 WeakPolarHBondContact O-CB 3.26Å; L190-A194 PolarHBondContact O-N 2.92Å; K192-A194 PolarHBondContact O-N 3.31Å; A194-Q196 VanDerWaalsContact C-N 3.34Å; A194-Q196 PolarHBondContact O-N 3.4Å; A194-E197 PolarHBondContact O-N 2.92Å; A194-E198 PolarHBondContact O-N 2.95Å; A194-V216 HydrophobicContact CB-CG1 4.04Å; A194-V216 HydrophobicContact CB-CG2 3.74Å
195L92.4Very high88.8Confident1 Ų142.8 Ų42.81%0.00521%0.21CC..Hα-helixtrans-65.5-40.1180-178.262.9000111.8F191 K192 E197 E198 I199 V216 I217 I328 V331 L332F191-L195 WeakPolarHBondContact O-CB 3.3Å; F191-L195 PolarHBondContact O-N 3.43Å; K192-L195 PolarHBondContact O-N 3.17Å; L195-E197 VanDerWaalsContact C-N 3.32Å; L195-E197 PolarHBondContact O-N 3.37Å; L195-E198 PolarHBondContact O-N 3.42Å; L195-I199 HydrophobicContact CD1-CD1 3.94Å; L195-I199 HydrophobicContact CD1-CG1 4.24Å; L195-I199 HydrophobicContact CG-CD1 3.83Å; L195-I199 WeakPolarHBondContact O-CG1 3.38Å; L195-I199 PolarHBondContact O-N 2.87Å; L195-V216 HydrophobicContact CB-CG1 3.93Å; L195-V216 HydrophobicContact CD1-CB 4.45Å; L195-V216 HydrophobicContact CD1-CG1 4.5Å; L195-I217 HydrophobicContact CD1-CD1 4.46Å; L195-I217 HydrophobicContact CD1-CG1 4.07Å; L195-I328 HydrophobicContact CD2-CG2 3.71Å; L195-V331 HydrophobicContact CD2-CG1 4.17Å; L195-L332 HydrophobicContact CD1-CD1 4.43Å; L195-L332 HydrophobicContact CD2-CB 4.03Å; L195-L332 HydrophobicContact CD2-CD1 4.43Å
196Q92.8Very high88.6Confident56 Ų5642.5 Ų42.526%0.26221%0.21SC..Hα-helixtrans-60.2-45176.4-74.9-179.5-44.900111.4K192 T193 A194 K200 V331 T335K192-Q196 WeakPolarHBondContact O-CB 3.35Å; K192-Q196 VanDerWaalsContact O-CG 3.28Å; K192-Q196 WeakPolarHBondContact O-CG 3.29Å; K192-Q196 PolarHBondContact O-N 3.3Å; T193-Q196 PolarHBondContact O-N 3.25Å; A194-Q196 VanDerWaalsContact C-N 3.34Å; A194-Q196 PolarHBondContact O-N 3.4Å; Q196-K200 WeakPolarHBondContact O-CB 3.42Å; Q196-K200 VanDerWaalsContact O-CG 3.24Å; Q196-K200 WeakPolarHBondContact O-CG 3.05Å; Q196-K200 PolarHBondContact O-N 2.89Å; Q196-V331 HydrophobicContact CG-CG1 4.02Å; Q196-T335 HydrophobicContact CB-CG2 4.48Å; Q196-T335 HydrophobicContact CG-CG2 4.25Å
197E88.4Confident88.3Confident81 Ų8149.3 Ų49.338%0.37924%0.239SC..Hα-helixtrans-65.7-39.3176.1-168.461.1-140.700112F156 T193 A194 L195 I199 K200 S201F156-E197 HydrophobicContact CD2-CB 4.49Å; F156-E197 HydrophobicContact CD2-CG 4Å; F156-E197 HydrophobicContact CE2-CB 3.63Å; F156-E197 HydrophobicContact CE2-CG 3.61Å; F156-E197 HydrophobicContact CZ-CB 3.99Å; F156-E197 HydrophobicContact CZ-CG 4.18Å; T193-E197 WeakPolarHBondContact O-CB 3.47Å; T193-E197 PolarHBondContact O-N 3.47Å; A194-E197 PolarHBondContact O-N 2.92Å; L195-E197 VanDerWaalsContact C-N 3.32Å; L195-E197 PolarHBondContact O-N 3.37Å; E197-I199 PolarHBondContact O-N 3.13Å; E197-K200 PolarHBondContact O-N 3.23Å; E197-S201 VanDerWaalsContact O-CB 3.3Å; E197-S201 WeakPolarHBondContact O-CB 3.43Å; E197-S201 PolarHBondContact O-N 3.41Å; E197-S201 PolarHBondContact O-OG 3.14Å; E197-S201 PolarHBondContact OE1-OG 3.3Å
198E87.9Confident88Confident10 Ų1052.4 Ų52.45%0.04725%0.253CS..Hα-helixtrans-61.4-46.9178.5-169.7159.2-13000110.9F156 A194 L195 K202 V203 T215 V216F156-E198 VanDerWaalsContact CE1-CA 3.43Å; F156-E198 HydrophobicContact CE1-CB 3.54Å; F156-E198 HydrophobicContact CE1-CG 3.83Å; F156-E198 HydrophobicContact CZ-CB 3.51Å; F156-E198 HydrophobicContact CZ-CG 4.29Å; A194-E198 PolarHBondContact O-N 2.95Å; L195-E198 PolarHBondContact O-N 3.42Å; E198-K202 WeakPolarHBondContact O-CB 3.43Å; E198-K202 PolarHBondContact O-N 3.23Å; E198-V203 PolarHBondContact O-N 3.26Å; E198-T215 PolarHBondContact OE1-N 3.37Å; E198-V216 HydrophobicContact CB-CG2 4.22Å; E198-V216 VanDerWaalsContact OE2-CB 3.29Å; E198-V216 WeakPolarHBondContact OE2-CB 3.41Å; E198-V216 WeakPolarHBondContact OE2-CG2 3.46Å; E198-V216 PolarHBondContact OE2-N 3.02Å; E198-V216 VanDerWaalsContact OE2-N 3.14Å
199I89.6Confident87.6Confident2 Ų252.4 Ų52.41%0.0125%0.253CS..Hα-helixtrans-67.7-45.8-179.1-65165.1000110L195 E197 L332 T335 L336 K339L195-I199 HydrophobicContact CD1-CD1 3.94Å; L195-I199 HydrophobicContact CD1-CG1 4.24Å; L195-I199 HydrophobicContact CG-CD1 3.83Å; L195-I199 WeakPolarHBondContact O-CG1 3.38Å; L195-I199 PolarHBondContact O-N 2.87Å; E197-I199 PolarHBondContact O-N 3.13Å; I199-L332 HydrophobicContact CD1-CD1 3.6Å; I199-L332 HydrophobicContact CG1-CD1 4.48Å; I199-T335 HydrophobicContact CB-CG2 3.86Å; I199-T335 HydrophobicContact CD1-CG2 3.89Å; I199-T335 HydrophobicContact CG2-CG2 3.81Å; I199-L336 HydrophobicContact CD1-CG 4.37Å; I199-L336 HydrophobicContact CG2-CD2 3.8Å; I199-L336 HydrophobicContact CG2-CG 4.44Å; I199-K339 HydrophobicContact CG2-CB 4.41Å; I199-K339 HydrophobicContact CG2-CD 4.02Å; I199-K339 WeakPolarHBondContact O-CD 3.25Å; I199-K339 WeakPolarHBondContact O-CE 3.39Å; I199-K339 PolarHBondContact O-NZ 3.09Å
200K86.8Confident87.2Confident97 Ų9751.8 Ų51.842%0.42226%0.255SS..Hα-helixtrans-64.1-42-178.5-73.6-177.5-179.9-161.20112.2Q196 E197 E338 K339Q196-K200 WeakPolarHBondContact O-CB 3.42Å; Q196-K200 VanDerWaalsContact O-CG 3.24Å; Q196-K200 WeakPolarHBondContact O-CG 3.05Å; Q196-K200 PolarHBondContact O-N 2.89Å; E197-K200 PolarHBondContact O-N 3.23Å; K200-E338 IonicContact NZ-OE1 2.67Å; K200-E338 PolarHBondContact NZ-OE1 3.06Å; K200-E338 IonicContact NZ-OE2 3.3Å; K200-K339 PolarHBondContact O-NZ 3.49Å
201S82.8Confident86.6Confident74 Ų7457.3 Ų57.352%0.51729%0.289SS..Hα-helixtrans-103.8-20.8-167.3-57.40000115.2E197E197-S201 VanDerWaalsContact O-CB 3.3Å; E197-S201 WeakPolarHBondContact O-CB 3.43Å; E197-S201 PolarHBondContact O-N 3.41Å; E197-S201 PolarHBondContact O-OG 3.14Å; E197-S201 PolarHBondContact OE1-OG 3.3Å
202K80.8Confident85.7Confident94 Ų9458.5 Ų58.541%0.40930%0.302SS..Hα-helixtrans-120.5-20.2-176.2-69.6-168.8174.3-179.70116.4F156 E198F156-K202 HydrophobicContact CD1-CD 4.01Å; F156-K202 HydrophobicContact CE1-CD 4.27Å; F156-K202 PolarHBondContact O-NZ 3.46Å; E198-K202 WeakPolarHBondContact O-CB 3.43Å; E198-K202 PolarHBondContact O-N 3.23Å
203V85.1Confident84.9Confident10 Ų1060.9 Ų60.96%0.06132%0.318CS..  trans-95.3101.7-175.3179.30000109.9E198 Q205 I209 K339 F340E198-V203 PolarHBondContact O-N 3.26Å; V203-Q205 WeakPolarHBondContact CG1-O 3.45Å; V203-I209 HydrophobicContact CG1-CD1 3.97Å; V203-I209 HydrophobicContact CG1-CG1 3.88Å; V203-I209 HydrophobicContact CG2-CD1 4.18Å; V203-I209 HydrophobicContact CG2-CG1 3.9Å; V203-K339 WeakPolarHBondContact O-CE 3.37Å; V203-K339 PolarHBondContact O-NZ 2.61Å; V203-F340 HydrophobicContact CG1-CE2 4.32Å; V203-F340 HydrophobicContact CG1-CZ 4.38Å
204D85.3Confident84.3Confident121 Ų12159.7 Ų59.765%0.64731%0.311SS*.SBendtrans-84.9-33.5178.6-67.5-32.5000111.5E208 F340D204-E208 PolarHBondContact N-OE2 3.23Å; D204-F340 WeakPolarHBondContact O-CE1 3.15Å; D204-F340 WeakPolarHBondContact O-CZ 3.5Å
205Q85.7Confident84Confident120 Ų12060.4 Ų60.456%0.56132%0.315SS*.SBendtrans-128.3140.4176.3-58-174.8-000111.5V203 K207 E208V203-Q205 WeakPolarHBondContact CG1-O 3.45Å; Q205-K207 PolarHBondContact O-N 3.44Å; Q205-E208 HydrophobicContact CB-CG 4.37Å; Q205-E208 PolarHBondContact N-OE1 2.99Å; Q205-E208 WeakPolarHBondContact O-CB 3.44Å; Q205-E208 PolarHBondContact O-N 2.69Å
206M81.6Confident83.8Confident23 Ų2360.4 Ų60.411%0.11332%0.315CS..THydrogen-bonded Turntrans-52.9-32.9178.4-79.7-163.4-177.900114.2E208 I209 L336 F340 S343 L348 I351M206-E208 PolarHBondContact O-N 2.95Å; M206-I209 PolarHBondContact O-N 2.85Å; M206-L336 HydrophobicContact CE-CB 4.32Å; M206-F340 HydrophobicContact CE-CB 3.5Å; M206-F340 VanDerWaalsContact CE-CB 3.5Å; M206-F340 HydrophobicContact CE-CD2 3.69Å; M206-F340 HydrophobicContact CE-CG 3.85Å; M206-F340 HydrophobicContact CG-CD2 3.85Å; M206-F340 HydrophobicContact CG-CE2 4.05Å; M206-F340 HydrophobicContact CG-CG 4.3Å; M206-S343 WeakPolarHBondContact CE-OG 3.17Å; M206-L348 HydrophobicContact CE-CD2 3.3Å; M206-L348 HydrophobicContact CE-CG 4.13Å; M206-L348 HydrophobicContact SD-CD2 4.1Å; M206-I351 HydrophobicContact CB-CD1 4.44Å; M206-I351 WeakPolarHBondContact O-CD1 3.08Å
207K81.4Confident83.6Confident157 Ų15757.9 Ų57.968%0.68330%0.304SS*.Hα-helixtrans-64.1-22.8-179-66.4-179.6-178173.20113Q205 I209 V210 T211Q205-K207 PolarHBondContact O-N 3.44Å; K207-I209 VanDerWaalsContact C-N 3.28Å; K207-I209 PolarHBondContact O-N 2.96Å; K207-V210 PolarHBondContact O-N 2.83Å; K207-T211 PolarHBondContact O-N 2.86Å; K207-T211 PolarHBondContact O-OG1 2.81Å
208E83.4Confident83.5Confident67 Ų6758.6 Ų58.631%0.31331%0.305SS..Hα-helixtrans-67.2-27.9179.7-68165.7-159.200112.4D204 Q205 M206 V210 G212D204-E208 PolarHBondContact N-OE2 3.23Å; Q205-E208 HydrophobicContact CB-CG 4.37Å; Q205-E208 PolarHBondContact N-OE1 2.99Å; Q205-E208 WeakPolarHBondContact O-CB 3.44Å; Q205-E208 PolarHBondContact O-N 2.69Å; M206-E208 PolarHBondContact O-N 2.95Å; E208-V210 VanDerWaalsContact C-N 3.28Å; E208-V210 PolarHBondContact O-N 2.98Å; E208-G212 WeakPolarHBondContact O-CA 3.27Å; E208-G212 PolarHBondContact O-N 2.69Å
209I82.3Confident83.4Confident4 Ų458.2 Ų58.22%0.02130%0.304CS..Hα-helixtrans-68-33.1175.9-64.2176.9000111.2V203 M206 K207 I217 L332 L336 I351 R359V203-I209 HydrophobicContact CG1-CD1 3.97Å; V203-I209 HydrophobicContact CG1-CG1 3.88Å; V203-I209 HydrophobicContact CG2-CD1 4.18Å; V203-I209 HydrophobicContact CG2-CG1 3.9Å; M206-I209 PolarHBondContact O-N 2.85Å; K207-I209 VanDerWaalsContact C-N 3.28Å; K207-I209 PolarHBondContact O-N 2.96Å; I209-I217 HydrophobicContact CG2-CD1 3.66Å; I209-L332 HydrophobicContact CD1-CD1 4.31Å; I209-L336 HydrophobicContact CD1-CD1 3.98Å; I209-L336 HydrophobicContact CD1-CD2 3.53Å; I209-L336 HydrophobicContact CD1-CG 4.25Å; I209-I351 HydrophobicContact CB-CG2 4.11Å; I209-I351 HydrophobicContact CD1-CG2 4.3Å; I209-I351 HydrophobicContact CG2-CG2 3.66Å; I209-R359 PolarHBondContact O-NH2 3.38Å
210V82Confident83.4Confident58 Ų5858.1 Ų58.135%0.35230%0.303SS..Hα-helixtrans-81.8-47.5178.8-177.90000111K207 E208 I351 N354 R359K207-V210 PolarHBondContact O-N 2.83Å; E208-V210 VanDerWaalsContact C-N 3.28Å; E208-V210 PolarHBondContact O-N 2.98Å; V210-I351 HydrophobicContact CG2-CD1 3.38Å; V210-N354 HydrophobicContact CG2-CB 4.25Å; V210-R359 PolarHBondContact O-NH2 3.3Å
211T78.9Confident83.4Confident116 Ų11654 Ų5471%0.71229%0.286SS*.Hα-helixtrans-83.1-28-173.753.50000113.5K207K207-T211 PolarHBondContact O-N 2.86Å; K207-T211 PolarHBondContact O-OG1 2.81Å
212G75.4Confident83.5Confident27 Ų2752.7 Ų52.728%0.27828%0.277SS..SBendtrans-87-173.7-178.800000114.2E208 P214 R359E208-G212 WeakPolarHBondContact O-CA 3.27Å; E208-G212 PolarHBondContact O-N 2.69Å; G212-P214 WeakPolarHBondContact O-CD 3.45Å; G212-R359 PolarHBondContact O-NH2 3.06Å
213N74.8Confident83.7Confident121 Ų12149 Ų4965%0.64726%0.261SS*.  trans-116.969.2175.7-72.8-49.5000110.6T215N213-T215 PolarHBondContact O-N 2.77Å
214P82Confident83.6Confident13 Ų1349 Ų498%0.08426%0.26CS..  trans-56.5125.6177.522.3-31.2000109.9G212 I217 K218G212-P214 WeakPolarHBondContact O-CD 3.45Å; P214-I217 HydrophobicContact CB-CB 4.02Å; P214-I217 HydrophobicContact CB-CD1 4.03Å; P214-I217 HydrophobicContact CB-CG1 4.3Å; P214-I217 HydrophobicContact CG-CB 3.79Å; P214-I217 HydrophobicContact CG-CD1 3.74Å; P214-I217 HydrophobicContact CG-CG1 4.23Å; P214-I217 HydrophobicContact CG-CG2 4.11Å; P214-K218 WeakPolarHBondContact O-CB 3.46Å; P214-K218 PolarHBondContact O-N 2.82Å; P214-K218 VanDerWaalsContact O-N 3.09Å
215T84Confident83.3Confident16 Ų1645.7 Ų45.710%0.09824%0.239CC..Hα-helixtrans-69.4-46.1-169-56.80000109.6I155 Q160 E198 N213 I217 K218 M219I155-T215 HydrophobicContact CG2-CG2 3.85Å; Q160-T215 PolarHBondContact NE2-OG1 2.98Å; E198-T215 PolarHBondContact OE1-N 3.37Å; N213-T215 PolarHBondContact O-N 2.77Å; T215-I217 PolarHBondContact O-N 3.01Å; T215-K218 WeakPolarHBondContact O-CB 3.18Å; T215-K218 PolarHBondContact O-N 3.07Å; T215-M219 HydrophobicContact CG2-SD 4.37Å; T215-M219 VanDerWaalsContact O-CG 3.31Å; T215-M219 WeakPolarHBondContact O-CG 3.4Å; T215-M219 PolarHBondContact O-N 3.36Å
216V88.1Confident82.5Confident1 Ų141 Ų411%0.00622%0.223CC..Hα-helixtrans-66.9-43.2-176.9-1750000110.7I155 F156 A194 L195 E198 K218 M219 V220I155-V216 HydrophobicContact CG2-CG2 4.47Å; F156-V216 HydrophobicContact CZ-CG2 4.29Å; A194-V216 HydrophobicContact CB-CG1 4.04Å; A194-V216 HydrophobicContact CB-CG2 3.74Å; L195-V216 HydrophobicContact CB-CG1 3.93Å; L195-V216 HydrophobicContact CD1-CB 4.45Å; L195-V216 HydrophobicContact CD1-CG1 4.5Å; E198-V216 HydrophobicContact CB-CG2 4.22Å; E198-V216 VanDerWaalsContact OE2-CB 3.29Å; E198-V216 WeakPolarHBondContact OE2-CB 3.41Å; E198-V216 WeakPolarHBondContact OE2-CG2 3.46Å; E198-V216 PolarHBondContact OE2-N 3.02Å; E198-V216 VanDerWaalsContact OE2-N 3.14Å; V216-K218 VanDerWaalsContact C-N 3.31Å; V216-K218 PolarHBondContact O-N 3.15Å; V216-M219 PolarHBondContact O-N 3.3Å; V216-V220 HydrophobicContact CG1-CG2 4.33Å; V216-V220 VanDerWaalsContact O-CG2 3.29Å; V216-V220 WeakPolarHBondContact O-CG2 3.37Å; V216-V220 PolarHBondContact O-N 3.19Å
217I88.6Confident81.4Confident3 Ų341.7 Ų41.72%0.01523%0.232CC..Hα-helixtrans-58.9-43.2175.3-76.6174000111.2L195 I209 P214 T215 V220 V221 L332 L355 R359L195-I217 HydrophobicContact CD1-CD1 4.46Å; L195-I217 HydrophobicContact CD1-CG1 4.07Å; I209-I217 HydrophobicContact CG2-CD1 3.66Å; P214-I217 HydrophobicContact CB-CB 4.02Å; P214-I217 HydrophobicContact CB-CD1 4.03Å; P214-I217 HydrophobicContact CB-CG1 4.3Å; P214-I217 HydrophobicContact CG-CB 3.79Å; P214-I217 HydrophobicContact CG-CD1 3.74Å; P214-I217 HydrophobicContact CG-CG1 4.23Å; P214-I217 HydrophobicContact CG-CG2 4.11Å; T215-I217 PolarHBondContact O-N 3.01Å; I217-V220 PolarHBondContact O-N 2.86Å; I217-V221 WeakPolarHBondContact O-CB 3.3Å; I217-V221 VanDerWaalsContact O-CG2 3.29Å; I217-V221 WeakPolarHBondContact O-CG2 3.25Å; I217-V221 PolarHBondContact O-N 2.66Å; I217-L332 HydrophobicContact CD1-CD1 4.48Å; I217-L332 HydrophobicContact CD1-CD2 4.4Å; I217-L355 HydrophobicContact CG2-CD1 3.8Å; I217-R359 VanDerWaalsContact CG2-CD 3.44Å
218K86.5Confident80.2Confident96 Ų9637.3 Ų37.342%0.41721%0.211SC..Hα-helixtrans-62.5-43.5177.2-170.6-175-179-172.30111.5T164 P214 T215 V216 V221 S222T164-K218 HydrophobicContact CG2-CD 4.12Å; T164-K218 WeakPolarHBondContact OG1-CE 3.08Å; T164-K218 PolarHBondContact OG1-NZ 3.41Å; P214-K218 WeakPolarHBondContact O-CB 3.46Å; P214-K218 PolarHBondContact O-N 2.82Å; P214-K218 VanDerWaalsContact O-N 3.09Å; T215-K218 WeakPolarHBondContact O-CB 3.18Å; T215-K218 PolarHBondContact O-N 3.07Å; V216-K218 VanDerWaalsContact C-N 3.31Å; V216-K218 PolarHBondContact O-N 3.15Å; K218-V221 PolarHBondContact O-N 3.13Å; K218-S222 VanDerWaalsContact O-CB 3.24Å; K218-S222 WeakPolarHBondContact O-CB 3.48Å; K218-S222 PolarHBondContact O-N 2.77Å
219M86.6Confident78.8Confident3 Ų334.2 Ų34.22%0.01520%0.198CC..Hα-helixtrans-62-45.7176.6-66.8-177.665.500111.8I155 D168 I171 F191 T215 V216 V221 S222 F223I155-M219 HydrophobicContact CD1-CE 4.13Å; I155-M219 HydrophobicContact CD1-SD 4.05Å; I155-M219 HydrophobicContact CG1-SD 4.23Å; I155-M219 HydrophobicContact CG2-SD 4.02Å; D168-M219 WeakPolarHBondContact OD1-CG 3.26Å; I171-M219 HydrophobicContact CB-CE 4.11Å; I171-M219 HydrophobicContact CG1-CE 4.01Å; I171-M219 HydrophobicContact CG2-CE 4.2Å; F191-M219 HydrophobicContact CE1-CB 4.28Å; T215-M219 HydrophobicContact CG2-SD 4.37Å; T215-M219 VanDerWaalsContact O-CG 3.31Å; T215-M219 WeakPolarHBondContact O-CG 3.4Å; T215-M219 PolarHBondContact O-N 3.36Å; V216-M219 PolarHBondContact O-N 3.3Å; M219-V221 PolarHBondContact O-N 2.98Å; M219-S222 WeakPolarHBondContact O-CB 3.24Å; M219-S222 PolarHBondContact O-N 3.36Å; M219-F223 WeakPolarHBondContact O-CB 3.37Å; M219-F223 PolarHBondContact O-N 3.06Å
220V88.9Confident77.9Confident0 Ų035.6 Ų35.60%020%0.204CC..Hα-helixtrans-61.4-43.9178.4171.50000111.3F191 V216 I217 H224 M325 I328F191-V220 HydrophobicContact CB-CG2 3.99Å; F191-V220 HydrophobicContact CD1-CG2 3.81Å; F191-V220 HydrophobicContact CD2-CG2 3.76Å; F191-V220 HydrophobicContact CE1-CG2 4.14Å; F191-V220 HydrophobicContact CE2-CG2 4.1Å; F191-V220 HydrophobicContact CG-CG2 3.61Å; F191-V220 HydrophobicContact CZ-CG2 4.27Å; V216-V220 HydrophobicContact CG1-CG2 4.33Å; V216-V220 VanDerWaalsContact O-CG2 3.29Å; V216-V220 WeakPolarHBondContact O-CG2 3.37Å; V216-V220 PolarHBondContact O-N 3.19Å; I217-V220 PolarHBondContact O-N 2.86Å; V220-H224 PolarHBondContact O-N 3.5Å; V220-H224 VanDerWaalsContact O-N 3.11Å; V220-H224 PolarHBondContact O-ND1 3.46Å; V220-M325 HydrophobicContact CG1-CE 3.89Å; V220-M325 HydrophobicContact CG1-SD 4.24Å; V220-I328 HydrophobicContact CG1-CB 4.22Å; V220-I328 HydrophobicContact CG1-CG1 4.13Å; V220-I328 HydrophobicContact CG1-CG2 4.07Å; V220-I328 HydrophobicContact CG2-CG1 4.32Å; V220-I328 HydrophobicContact CG2-CG2 4.28Å
221V88Confident77.3Confident9 Ų937.2 Ų37.26%0.05521%0.211CC..Hα-helixtrans-66.8-42.3177170.40000111.1I217 K218 M219 H224 R225 M325 L355 R359I217-V221 WeakPolarHBondContact O-CB 3.3Å; I217-V221 VanDerWaalsContact O-CG2 3.29Å; I217-V221 WeakPolarHBondContact O-CG2 3.25Å; I217-V221 PolarHBondContact O-N 2.66Å; K218-V221 PolarHBondContact O-N 3.13Å; M219-V221 PolarHBondContact O-N 2.98Å; V221-H224 PolarHBondContact O-N 2.69Å; V221-R225 HydrophobicContact CG1-CG 4.43Å; V221-R225 VanDerWaalsContact O-CB 3.31Å; V221-R225 WeakPolarHBondContact O-CB 3.23Å; V221-R225 VanDerWaalsContact O-CG 3.23Å; V221-R225 WeakPolarHBondContact O-CG 3.44Å; V221-R225 PolarHBondContact O-N 3.1Å; V221-M325 HydrophobicContact CG2-CE 4.43Å; V221-L355 HydrophobicContact CG2-CD1 3.73Å; V221-R359 WeakPolarHBondContact CG1-O 3.42Å; V221-R359 HydrophobicContact CG2-CB 4.2Å
222S83.9Confident77.5Confident47 Ų4732.2 Ų32.233%0.32918%0.181SC..Hα-helixtrans-58-48175.4-173.20000110.9D168 K218 M219 R225 G226D168-S222 WeakPolarHBondContact OD2-CB 3.35Å; D168-S222 PolarHBondContact OD2-OG 3.5Å; K218-S222 VanDerWaalsContact O-CB 3.24Å; K218-S222 WeakPolarHBondContact O-CB 3.48Å; K218-S222 PolarHBondContact O-N 2.77Å; M219-S222 WeakPolarHBondContact O-CB 3.24Å; M219-S222 PolarHBondContact O-N 3.36Å; S222-R225 PolarHBondContact O-N 3.31Å; S222-G226 PolarHBondContact O-N 2.93Å; S222-G226 VanDerWaalsContact O-N 3.16Å
223F84.8Confident78Confident17 Ų1731.1 Ų31.18%0.07517%0.169CC..Hα-helixtrans-59.9-50.6178.8178.8-102.9000112.8F172 A178 L187 F191 M219 R225 G226F172-F223 AromaticContact CD1-CD2 3.9Å; F172-F223 HydrophobicContact CD1-CD2 3.9Å; F172-F223 HydrophobicContact CD2-CD2 4.46Å; F172-F223 HydrophobicContact CE1-CB 3.89Å; F172-F223 AromaticContact CE1-CD2 3.93Å; F172-F223 HydrophobicContact CE1-CD2 3.93Å; F172-F223 HydrophobicContact CE1-CG 4.25Å; F172-F223 HydrophobicContact CE2-CB 4.21Å; F172-F223 HydrophobicContact CE2-CD2 4.45Å; F172-F223 HydrophobicContact CG-CD2 4.22Å; F172-F223 HydrophobicContact CZ-CB 3.62Å; F172-F223 HydrophobicContact CZ-CD2 4.21Å; F172-F223 HydrophobicContact CZ-CG 4.37Å; A178-F223 HydrophobicContact CB-CE2 4.33Å; A178-F223 HydrophobicContact CB-CZ 3.83Å; L187-F223 HydrophobicContact CD2-CD1 4.42Å; L187-F223 HydrophobicContact CD2-CD2 3.89Å; L187-F223 HydrophobicContact CD2-CE1 4.12Å; L187-F223 HydrophobicContact CD2-CE2 3.56Å; L187-F223 HydrophobicContact CD2-CG 4.33Å; L187-F223 HydrophobicContact CD2-CZ 3.72Å; F191-F223 HydrophobicContact CE2-CB 4.33Å; F191-F223 HydrophobicContact CE2-CD1 4.09Å; F191-F223 HydrophobicContact CE2-CG 4.23Å; F191-F223 HydrophobicContact CZ-CB 4.09Å; F191-F223 HydrophobicContact CZ-CG 4.27Å; M219-F223 WeakPolarHBondContact O-CB 3.37Å; M219-F223 PolarHBondContact O-N 3.06Å; F223-R225 PolarHBondContact O-N 2.92Å; F223-G226 PolarHBondContact O-N 2.92Å; F223-G226 VanDerWaalsContact O-N 3.11Å
224H83.8Confident78.6Confident10 Ų1029.6 Ų29.65%0.04615%0.154CC..Hα-helixtrans-76.3-8.6-179.5-67.891.1000113.5V220 V221 G229 G324 M325 Y360V220-H224 PolarHBondContact O-N 3.5Å; V220-H224 VanDerWaalsContact O-N 3.11Å; V220-H224 PolarHBondContact O-ND1 3.46Å; V221-H224 PolarHBondContact O-N 2.69Å; H224-G229 CarbonylContact O-C 3.56Å; H224-G229 WeakPolarHBondContact O-CA 3.33Å; H224-G324 WeakPolarHBondContact NE2-CA 3.29Å; H224-M325 HydrophobicContact CB-CE 3.58Å; H224-M325 PolarHBondContact NE2-N 3.49Å; H224-Y360 HydrophobicContact CB-CE2 3.91Å
225R78.7Confident78.8Confident51 Ų5133.5 Ų33.519%0.19217%0.171CC..Hα-helixtrans-90.5-11.1167.5-77.9174.6166.1178.3-0.5113.5V221 S222 F223 Q230 R359 Y360 P363V221-R225 HydrophobicContact CG1-CG 4.43Å; V221-R225 VanDerWaalsContact O-CB 3.31Å; V221-R225 WeakPolarHBondContact O-CB 3.23Å; V221-R225 VanDerWaalsContact O-CG 3.23Å; V221-R225 WeakPolarHBondContact O-CG 3.44Å; V221-R225 PolarHBondContact O-N 3.1Å; S222-R225 PolarHBondContact O-N 3.31Å; F223-R225 PolarHBondContact O-N 2.92Å; R225-Q230 WeakPolarHBondContact O-CG 3.28Å; R225-R359 PolarHBondContact NH2-O 3.05Å; R225-Y360 HydrophobicContact CG-CD2 4.27Å; R225-Y360 HydrophobicContact CG-CE2 4.3Å; R225-Y360 PolarHBondContact NE-O 3.19Å; R225-Y360 PolarHBondContact NH2-O 3.47Å; R225-P363 VanDerWaalsContact NH2-CD 3.31Å
226G68.8Low79.1Confident23 Ų2333 Ų3324%0.23717%0.168CC..SBendtrans-70.1-177173.600000112.7S222 F223 R228 G229 Q230S222-G226 PolarHBondContact O-N 2.93Å; S222-G226 VanDerWaalsContact O-N 3.16Å; F223-G226 PolarHBondContact O-N 2.92Å; F223-G226 VanDerWaalsContact O-N 3.11Å; G226-R228 PolarHBondContact O-N 3.32Å; G226-G229 PolarHBondContact O-N 2.73Å; G226-Q230 PolarHBondContact O-N 3.27Å; G226-Q230 VanDerWaalsContact O-N 3.09Å
227A57.5Low79.3Confident37 Ų3732.9 Ų32.931%0.30617%0.167SC..THydrogen-bonded Turntrans-50.3-30.7-171.900000115.6I65 L677I65-A227 HydrophobicContact CG1-CB 4.27Å; A227-L677 HydrophobicContact CB-CD2 3.77Å
228R56.3Low79.4Confident64 Ų6433.2 Ų33.224%0.24217%0.171CC..THydrogen-bonded Turntrans-75.1-29.7177.6-75.8-174.172.1-150.3-1.7114Y177 A178 E184 G226Y177-R228 WeakPolarHBondContact O-CD 3.43Å; A178-R228 PolarHBondContact O-NH1 2.65Å; E184-R228 IonicContact OE1-CZ 2.74Å; E184-R228 IonicContact OE1-NH1 3.69Å; E184-R228 IonicContact OE1-NH2 3.3Å; E184-R228 PolarHBondContact OE1-NH2 3.39Å; E184-R228 IonicContact OE2-CZ 3.65Å; E184-R228 IonicContact OE2-NH1 3.78Å; E184-R228 IonicContact OE2-NH2 3.25Å; E184-R228 PolarHBondContact OE2-NH2 2.79Å; G226-R228 PolarHBondContact O-N 3.32Å
229G55.9Low79.6Confident3 Ų332.8 Ų32.83%0.03118%0.177CC..THydrogen-bonded Turntrans-110.2-12.7-173.700000115.5H224 G226 N231 A232 L233H224-G229 CarbonylContact O-C 3.56Å; H224-G229 WeakPolarHBondContact O-CA 3.33Å; G226-G229 PolarHBondContact O-N 2.73Å; G229-N231 PolarHBondContact O-N 2.99Å; G229-A232 PolarHBondContact O-N 3.03Å; G229-L233 PolarHBondContact O-N 2.83Å
230Q61.9Low79.9Confident33 Ų3333.2 Ų33.215%0.15418%0.18CC..Hα-helixtrans-53.7-35.9169.8-73.9-174-39.200112.5R225 G226 A232 L233 R234 D372R225-Q230 WeakPolarHBondContact O-CG 3.28Å; G226-Q230 PolarHBondContact O-N 3.27Å; G226-Q230 VanDerWaalsContact O-N 3.09Å; Q230-A232 VanDerWaalsContact C-N 3.31Å; Q230-A232 PolarHBondContact O-N 2.88Å; Q230-L233 PolarHBondContact O-N 3.47Å; Q230-R234 VanDerWaalsContact O-CB 3.26Å; Q230-R234 WeakPolarHBondContact O-CB 3.29Å; Q230-R234 PolarHBondContact O-N 2.95Å; Q230-D372 PolarHBondContact NE2-OD2 2.91Å; Q230-D372 PolarHBondContact OE1-OD2 3.41Å
231N69.3Low80.1Confident91 Ų9133.2 Ų33.249%0.48718%0.18SC..Hα-helixtrans-62.7-37.1179.3-164.55000112.3G229 Q235G229-N231 PolarHBondContact O-N 2.99Å; N231-Q235 WeakPolarHBondContact O-CB 3.29Å; N231-Q235 WeakPolarHBondContact O-CG 3.15Å; N231-Q235 PolarHBondContact O-N 3.06Å; N231-Q235 PolarHBondContact OD1-NE2 3.46Å
232A82.8Confident80.2Confident11 Ų1137.7 Ų37.79%0.09120%0.199CC..Hα-helixtrans-66.3-50.8178.800000111.5G229 Q230 R234 Q235 I236 K320 P322G229-A232 PolarHBondContact O-N 3.03Å; Q230-A232 VanDerWaalsContact C-N 3.31Å; Q230-A232 PolarHBondContact O-N 2.88Å; A232-R234 VanDerWaalsContact C-N 3.3Å; A232-R234 PolarHBondContact O-N 3.33Å; A232-Q235 PolarHBondContact O-N 3.46Å; A232-I236 VanDerWaalsContact O-CG1 3.23Å; A232-I236 WeakPolarHBondContact O-CG1 3.31Å; A232-I236 PolarHBondContact O-N 3.45Å; A232-I236 VanDerWaalsContact O-N 3.12Å; A232-K320 VanDerWaalsContact CB-O 3.31Å; A232-K320 WeakPolarHBondContact CB-O 3.24Å; A232-P322 HydrophobicContact CB-CG 3.9Å
233L87.4Confident80.5Confident4 Ų439.9 Ų39.92%0.02120%0.204CC..Hα-helixtrans-61.1-41177.7-73.9175.5000111.7G229 Q230 Q235 I236 L237 Y360 M361 A364 I373G229-L233 PolarHBondContact O-N 2.83Å; Q230-L233 PolarHBondContact O-N 3.47Å; L233-Q235 PolarHBondContact O-N 2.95Å; L233-I236 PolarHBondContact O-N 2.96Å; L233-L237 HydrophobicContact CD2-CD1 4.32Å; L233-L237 WeakPolarHBondContact O-CB 3.48Å; L233-L237 PolarHBondContact O-N 3.27Å; L233-Y360 HydrophobicContact CD1-CD2 4.36Å; L233-Y360 HydrophobicContact CD1-CE1 4.43Å; L233-Y360 HydrophobicContact CD1-CE2 3.86Å; L233-Y360 HydrophobicContact CD2-CD1 3.99Å; L233-Y360 HydrophobicContact CD2-CE1 3.5Å; L233-Y360 HydrophobicContact CD2-CE2 4.42Å; L233-Y360 HydrophobicContact CG-CE1 3.97Å; L233-Y360 HydrophobicContact CG-CE2 4.16Å; L233-M361 HydrophobicContact CD2-CB 4.47Å; L233-M361 HydrophobicContact CD2-CG 3.8Å; L233-A364 HydrophobicContact CD1-CB 4.22Å; L233-I373 HydrophobicContact CB-CD1 3.64Å
234R86.8Confident80.6Confident89 Ų8939.3 Ų39.334%0.33620%0.202SC..Hα-helixtrans-59.1-45.1175.1-172.7174.3-174.9-163.21.2111.6Q230 A232 I236 A238 E375Q230-R234 VanDerWaalsContact O-CB 3.26Å; Q230-R234 WeakPolarHBondContact O-CB 3.29Å; Q230-R234 PolarHBondContact O-N 2.95Å; A232-R234 VanDerWaalsContact C-N 3.3Å; A232-R234 PolarHBondContact O-N 3.33Å; R234-I236 VanDerWaalsContact C-N 3.27Å; R234-I236 PolarHBondContact O-N 3.14Å; R234-A238 HydrophobicContact CG-CB 4.02Å; R234-A238 WeakPolarHBondContact O-CB 3.44Å; R234-A238 PolarHBondContact O-N 3.49Å; R234-E375 IonicContact CZ-OE1 3.84Å; R234-E375 IonicContact NH1-OE1 3.22Å; R234-E375 PolarHBondContact NH1-OE1 2.99Å; R234-E375 IonicContact NH2-OE1 2.59Å; R234-E375 PolarHBondContact NH2-OE1 3.37Å
235Q87.3Confident80.6Confident96 Ų9640.8 Ų40.845%0.44921%0.209SC..Hα-helixtrans-66.6-25.6178.1-73.4174.324.500114.3N231 A232 L233 K320N231-Q235 WeakPolarHBondContact O-CB 3.29Å; N231-Q235 WeakPolarHBondContact O-CG 3.15Å; N231-Q235 PolarHBondContact O-N 3.06Å; N231-Q235 PolarHBondContact OD1-NE2 3.46Å; A232-Q235 PolarHBondContact O-N 3.46Å; L233-Q235 PolarHBondContact O-N 2.95Å; Q235-K320 HydrophobicContact CB-CD 4.19Å
236I90.1Very high81Confident4 Ų444.4 Ų44.42%0.02123%0.232CC..Hα-helixtrans-84.8-49.3179.3-61.4166.8000110.4A232 L233 R234 I314 K320 I321 M361A232-I236 VanDerWaalsContact O-CG1 3.23Å; A232-I236 WeakPolarHBondContact O-CG1 3.31Å; A232-I236 PolarHBondContact O-N 3.45Å; A232-I236 VanDerWaalsContact O-N 3.12Å; L233-I236 PolarHBondContact O-N 2.96Å; R234-I236 VanDerWaalsContact C-N 3.27Å; R234-I236 PolarHBondContact O-N 3.14Å; I236-I314 HydrophobicContact CG2-CG1 4.29Å; I236-K320 HydrophobicContact CD1-CB 4.28Å; I236-K320 HydrophobicContact CG1-CB 4.15Å; I236-K320 HydrophobicContact CG1-CD 4.35Å; I236-I321 HydrophobicContact CD1-CG1 4.29Å; I236-M361 HydrophobicContact CD1-CE 4.4Å
237L91.5Very high81.9Confident0 Ų046.3 Ų46.30%024%0.237CC..Hα-helixtrans-101-27.6-165.5-59.9175.6000113.9L233 P239 V240 V241 I314 A364 I365 I373L233-L237 HydrophobicContact CD2-CD1 4.32Å; L233-L237 WeakPolarHBondContact O-CB 3.48Å; L233-L237 PolarHBondContact O-N 3.27Å; L237-P239 VanDerWaalsContact C-CD 3.46Å; L237-V240 WeakPolarHBondContact O-CG2 3.36Å; L237-V240 PolarHBondContact O-N 2.78Å; L237-V241 HydrophobicContact CB-CG2 4.34Å; L237-V241 WeakPolarHBondContact O-CB 3.47Å; L237-V241 VanDerWaalsContact O-CG2 3.26Å; L237-V241 WeakPolarHBondContact O-CG2 3.45Å; L237-V241 PolarHBondContact O-N 2.88Å; L237-I314 HydrophobicContact CD2-CG1 4.29Å; L237-A364 HydrophobicContact CD1-CB 4.06Å; L237-I365 HydrophobicContact CD1-CG1 3.84Å; L237-I365 HydrophobicContact CD2-CD1 4.19Å; L237-I365 HydrophobicContact CD2-CG1 4.05Å; L237-I373 HydrophobicContact CB-CG2 4.02Å
238A90.7Very high82.9Confident10 Ų1053.9 Ų53.98%0.08326%0.263CS..Hα-helixtrans-58.1-39.8-173.600000114.3R234 K242 I373R234-A238 HydrophobicContact CG-CB 4.02Å; R234-A238 WeakPolarHBondContact O-CB 3.44Å; R234-A238 PolarHBondContact O-N 3.49Å; A238-K242 WeakPolarHBondContact O-CB 3.44Å; A238-K242 VanDerWaalsContact O-CG 3.25Å; A238-K242 WeakPolarHBondContact O-CG 3.33Å; A238-K242 PolarHBondContact O-N 3.3Å; A238-I373 HydrophobicContact CB-CG2 4.05Å; A238-I373 WeakPolarHBondContact CB-O 3.21Å
239P91.6Very high84.1Confident86 Ų8656.9 Ų56.956%0.55829%0.289SS*.Hα-helixtrans-61.7-47.1178.8-23.434.7000112.8L237 K242 E243L237-P239 VanDerWaalsContact C-CD 3.46Å; P239-K242 PolarHBondContact O-N 3.46Å; P239-E243 PolarHBondContact O-N 2.83Å
240V92.8Very high85.4Confident13 Ų1357.3 Ų57.38%0.07929%0.29CS..Hα-helixtrans-74.8-31.1-177.5-66.60000112.6L237 I244 F310 A313L237-V240 WeakPolarHBondContact O-CG2 3.36Å; L237-V240 PolarHBondContact O-N 2.78Å; V240-I244 PolarHBondContact O-N 3Å; V240-F310 HydrophobicContact CB-CD1 4.41Å; V240-F310 HydrophobicContact CB-CD2 3.87Å; V240-F310 HydrophobicContact CB-CE1 4.24Å; V240-F310 HydrophobicContact CB-CE2 3.64Å; V240-F310 HydrophobicContact CB-CG 4.24Å; V240-F310 HydrophobicContact CB-CZ 3.86Å; V240-F310 HydrophobicContact CG2-CD1 3.71Å; V240-F310 HydrophobicContact CG2-CD2 4.08Å; V240-F310 HydrophobicContact CG2-CE1 3.56Å; V240-F310 HydrophobicContact CG2-CE2 3.93Å; V240-F310 HydrophobicContact CG2-CG 3.97Å; V240-F310 HydrophobicContact CG2-CZ 3.68Å; V240-F310 WeakPolarHBondContact O-CE2 3.13Å; V240-A313 HydrophobicContact CG1-CB 3.81Å
241V91.6Very high86.2Confident0 Ų059 Ų590%030%0.3CS..Hα-helixtrans-68.3-43.8173.3171.50000110.8L237 E243 I244 M245 F310 P368 I373 I374 L390L237-V241 HydrophobicContact CB-CG2 4.34Å; L237-V241 WeakPolarHBondContact O-CB 3.47Å; L237-V241 VanDerWaalsContact O-CG2 3.26Å; L237-V241 WeakPolarHBondContact O-CG2 3.45Å; L237-V241 PolarHBondContact O-N 2.88Å; V241-E243 VanDerWaalsContact C-N 3.3Å; V241-E243 PolarHBondContact O-N 3.14Å; V241-I244 PolarHBondContact O-N 3.38Å; V241-M245 HydrophobicContact CG1-CG 4.44Å; V241-M245 HydrophobicContact CG1-SD 4.16Å; V241-M245 WeakPolarHBondContact O-CG 3.41Å; V241-M245 PolarHBondContact O-N 3.26Å; V241-M245 VanDerWaalsContact O-N 3.09Å; V241-F310 HydrophobicContact CG2-CE1 4Å; V241-F310 HydrophobicContact CG2-CZ 4.06Å; V241-P368 HydrophobicContact CG1-CB 3.78Å; V241-P368 HydrophobicContact CG1-CG 3.86Å; V241-I373 HydrophobicContact CG2-CG2 4.37Å; V241-I374 HydrophobicContact CB-CG2 4.5Å; V241-I374 HydrophobicContact CG1-CG2 3.8Å; V241-L390 HydrophobicContact CG1-CD2 4.39Å; V241-L390 HydrophobicContact CG2-CD2 4.33Å
242K90.1Very high87Confident103 Ų10354.6 Ų54.645%0.44828%0.277SS..Hα-helixtrans-60.8-39.8177.5-77.1178.1178-171.70112.2A238 P239 I244 M245 D246 I374A238-K242 WeakPolarHBondContact O-CB 3.44Å; A238-K242 VanDerWaalsContact O-CG 3.25Å; A238-K242 WeakPolarHBondContact O-CG 3.33Å; A238-K242 PolarHBondContact O-N 3.3Å; P239-K242 PolarHBondContact O-N 3.46Å; K242-I244 VanDerWaalsContact C-N 3.33Å; K242-I244 PolarHBondContact O-N 3.35Å; K242-M245 WeakPolarHBondContact O-CB 3.44Å; K242-M245 PolarHBondContact O-N 2.9Å; K242-D246 WeakPolarHBondContact O-CB 3.48Å; K242-D246 VanDerWaalsContact O-CG 3.28Å; K242-D246 PolarHBondContact O-N 2.9Å; K242-I374 HydrophobicContact CG-CG2 4.32Å
243E90Very high87Confident92 Ų9256.4 Ų56.443%0.4328%0.283SS..Hα-helixtrans-57.3-43.7176.2-169.7-178.9177.400112.5P239 V241 M245 D247 K309P239-E243 PolarHBondContact O-N 2.83Å; V241-E243 VanDerWaalsContact C-N 3.3Å; V241-E243 PolarHBondContact O-N 3.14Å; E243-M245 VanDerWaalsContact C-N 3.32Å; E243-M245 PolarHBondContact O-N 3.41Å; E243-D247 PolarHBondContact O-N 3.27Å; E243-K309 IonicContact OE1-NZ 2.84Å; E243-K309 PolarHBondContact OE1-NZ 3.48Å; E243-K309 IonicContact OE2-NZ 3.68Å
244I87.7Confident86.8Confident6 Ų657.9 Ų57.93%0.03129%0.292CS..Hα-helixtrans-66-36.2174.9-69.4-178.6000111.6V240 V241 K242 L250 I306 F310 N389 L390 V393V240-I244 PolarHBondContact O-N 3Å; V241-I244 PolarHBondContact O-N 3.38Å; K242-I244 VanDerWaalsContact C-N 3.33Å; K242-I244 PolarHBondContact O-N 3.35Å; I244-L250 HydrophobicContact CG1-CD2 4.38Å; I244-L250 HydrophobicContact CG2-CD2 4.03Å; I244-I306 HydrophobicContact CD1-CG2 3.61Å; I244-I306 HydrophobicContact CG1-CG2 3.97Å; I244-F310 HydrophobicContact CD1-CD2 4.43Å; I244-F310 HydrophobicContact CD1-CE2 3.35Å; I244-F310 HydrophobicContact CD1-CZ 3.6Å; I244-F310 HydrophobicContact CG1-CE2 4.07Å; I244-F310 HydrophobicContact CG1-CZ 4.45Å; I244-N389 HydrophobicContact CG2-CB 4.22Å; I244-L390 HydrophobicContact CB-CD2 4.47Å; I244-L390 HydrophobicContact CD1-CD2 3.87Å; I244-L390 HydrophobicContact CG2-CD2 4.24Å; I244-L390 HydrophobicContact CG2-CG 4.31Å; I244-V393 HydrophobicContact CD1-CG2 4.08Å
245M84.4Confident86.8Confident40 Ų4057 Ų5720%0.19729%0.294CS..Hα-helixtrans-71.1-35.8-178.5-71.8-175.867.200113V241 K242 E243 I374 Q386V241-M245 HydrophobicContact CG1-CG 4.44Å; V241-M245 HydrophobicContact CG1-SD 4.16Å; V241-M245 WeakPolarHBondContact O-CG 3.41Å; V241-M245 PolarHBondContact O-N 3.26Å; V241-M245 VanDerWaalsContact O-N 3.09Å; K242-M245 WeakPolarHBondContact O-CB 3.44Å; K242-M245 PolarHBondContact O-N 2.9Å; E243-M245 VanDerWaalsContact C-N 3.32Å; E243-M245 PolarHBondContact O-N 3.41Å; M245-I374 HydrophobicContact CE-CD1 3.67Å; M245-I374 HydrophobicContact SD-CB 4.48Å; M245-I374 HydrophobicContact SD-CD1 3.25Å; M245-I374 WeakPolarHBondContact SD-CD1 3.49Å; M245-I374 HydrophobicContact SD-CG1 4.42Å; M245-I374 HydrophobicContact SD-CG2 4.08Å; M245-Q386 PolarHBondContact O-NE2 3.08Å; M245-Q386 VanDerWaalsContact O-NE2 3.11Å
246D86.8Confident86.8Confident127 Ų12752.4 Ų52.468%0.67927%0.272SS*.Hα-helixtrans-77.6-28-177.7-67.5-23.4000111.7K242 K248K242-D246 WeakPolarHBondContact O-CB 3.48Å; K242-D246 VanDerWaalsContact O-CG 3.28Å; K242-D246 PolarHBondContact O-N 2.9Å; D246-K248 PolarHBondContact O-N 2.9Å; D246-K248 VanDerWaalsContact O-N 3.11Å
247D86.6Confident86.7Confident64 Ų6453 Ų5334%0.34228%0.276SS..  trans-78.692.8176-170.4-6.7000112.4E243 T249 L250E243-D247 PolarHBondContact O-N 3.27Å; D247-T249 PolarHBondContact O-N 3Å; D247-T249 WeakPolarHBondContact OD1-CA 3.45Å; D247-T249 PolarHBondContact OD1-N 3.35Å; D247-T249 PolarHBondContact OD1-OG1 3.28Å; D247-L250 HydrophobicContact CB-CB 4.11Å; D247-L250 WeakPolarHBondContact O-CB 3.34Å; D247-L250 PolarHBondContact O-N 2.92Å; D247-L250 PolarHBondContact OD1-N 2.9Å; D247-L250 VanDerWaalsContact OD1-N 3.16Å
248K79.6Confident86.5Confident195 Ų19556.2 Ų56.285%0.84829%0.293SS*.THydrogen-bonded Turntrans-71.7-12.9175.7-62.7-177.4-178.3177.70114.2D246D246-K248 PolarHBondContact O-N 2.9Å; D246-K248 VanDerWaalsContact O-N 3.11Å
249T81.1Confident86.4Confident128 Ų12856.1 Ų56.179%0.78529%0.292SS*.THydrogen-bonded Turntrans-99.10.6-178.356.70000112.7D247 N251D247-T249 PolarHBondContact O-N 3Å; D247-T249 WeakPolarHBondContact OD1-CA 3.45Å; D247-T249 PolarHBondContact OD1-N 3.35Å; D247-T249 PolarHBondContact OD1-OG1 3.28Å; T249-N251 PolarHBondContact O-N 2.97Å; T249-N251 VanDerWaalsContact O-N 3.15Å
250L82.9Confident86.3Confident11 Ų1152.1 Ų52.16%0.05827%0.265CS..  trans-68.2112.7-173.7-175.763.6000112.4I244 D247 I252 I306 N389I244-L250 HydrophobicContact CG1-CD2 4.38Å; I244-L250 HydrophobicContact CG2-CD2 4.03Å; D247-L250 HydrophobicContact CB-CB 4.11Å; D247-L250 WeakPolarHBondContact O-CB 3.34Å; D247-L250 PolarHBondContact O-N 2.92Å; D247-L250 PolarHBondContact OD1-N 2.9Å; D247-L250 VanDerWaalsContact OD1-N 3.16Å; L250-I252 HydrophobicContact CD1-CG2 3.74Å; L250-I252 HydrophobicContact CD2-CD1 4.39Å; L250-I252 HydrophobicContact CG-CG2 4.07Å; L250-I306 HydrophobicContact CD1-CD1 3.27Å; L250-I306 HydrophobicContact CD2-CD1 3.69Å; L250-I306 HydrophobicContact CG-CD1 4.09Å; L250-N389 PolarHBondContact O-ND2 2.79Å
251N79.8Confident86.1Confident68 Ų6855.2 Ų55.236%0.36428%0.278SS..  trans-116.8100.8172.5-172.35.3000111.7T249 K253 S299T249-N251 PolarHBondContact O-N 2.97Å; T249-N251 VanDerWaalsContact O-N 3.15Å; N251-K253 WeakPolarHBondContact OD1-CB 3.33Å; N251-K253 WeakPolarHBondContact OD1-CG 3.04Å; N251-K253 PolarHBondContact OD1-N 3.31Å; N251-S299 PolarHBondContact O-OG 3.16Å
252I84.7Confident85.8Confident0 Ų056.5 Ų56.50%029%0.291CS..  trans-114.227.4176.659.8175.8000112.1L250 T254 H302 M303 I306 N389 V393L250-I252 HydrophobicContact CD1-CG2 3.74Å; L250-I252 HydrophobicContact CD2-CD1 4.39Å; L250-I252 HydrophobicContact CG-CG2 4.07Å; I252-T254 PolarHBondContact O-N 3Å; I252-H302 HydrophobicContact CG2-CB 4.07Å; I252-M303 HydrophobicContact CB-CB 4.36Å; I252-M303 HydrophobicContact CB-CE 3.62Å; I252-M303 HydrophobicContact CB-SD 4.11Å; I252-M303 HydrophobicContact CD1-CE 3.85Å; I252-M303 HydrophobicContact CD1-SD 3.8Å; I252-M303 HydrophobicContact CG1-CE 3.88Å; I252-M303 HydrophobicContact CG1-SD 4.39Å; I252-M303 HydrophobicContact CG2-CB 4.36Å; I252-M303 WeakPolarHBondContact O-CE 3.36Å; I252-I306 HydrophobicContact CG2-CD1 4.18Å; I252-N389 HydrophobicContact CD1-CB 3.72Å; I252-N389 HydrophobicContact CG1-CB 4.08Å; I252-N389 WeakPolarHBondContact CG1-OD1 3.31Å; I252-V393 HydrophobicContact CD1-CG2 4.06Å
253K84.1Confident85.7Confident49 Ų4953.5 Ų53.521%0.21328%0.277CS..  trans-61.2130.5172.6-69.5177.2179.5-178.10109.4N251 D258 I259 S299 R388N251-K253 WeakPolarHBondContact OD1-CB 3.33Å; N251-K253 WeakPolarHBondContact OD1-CG 3.04Å; N251-K253 PolarHBondContact OD1-N 3.31Å; K253-D258 HydrophobicContact CD-CB 4.44Å; K253-I259 HydrophobicContact CB-CG1 4.16Å; K253-S299 VanDerWaalsContact O-CB 3.25Å; K253-S299 WeakPolarHBondContact O-CB 3.46Å; K253-R388 VanDerWaalsContact CE-NH1 3.33Å
254T83.1Confident85.5Confident35 Ų3549.2 Ų49.222%0.21526%0.257CS..  trans-112.5-8.4-177.544.20000112.8I252 P256 L296 M303 H412 L413I252-T254 PolarHBondContact O-N 3Å; T254-P256 WeakPolarHBondContact O-CD 3.16Å; T254-L296 WeakPolarHBondContact O-CD1 3.14Å; T254-M303 HydrophobicContact CG2-CE 3.82Å; T254-H412 PolarHBondContact O-CD2 2.99Å; T254-H412 PolarHBondContact O-NE2 3.23Å; T254-L413 HydrophobicContact CG2-CD2 4.24Å
255D86.9Confident85.4Confident69 Ų6953.3 Ų53.337%0.36928%0.279SS..  trans-84.4119.4176.6-172.5-28000110.7V257 D258 I259D255-V257 VanDerWaalsContact C-N 3.26Å; D255-V257 PolarHBondContact O-N 3.47Å; D255-V257 WeakPolarHBondContact OD1-CB 3.45Å; D255-V257 PolarHBondContact OD1-N 3.47Å; D255-D258 HydrophobicContact CB-CB 4.09Å; D255-D258 PolarHBondContact O-N 2.71Å; D255-I259 WeakPolarHBondContact O-CG1 3Å; D255-I259 PolarHBondContact O-N 3.02Å; D255-I259 VanDerWaalsContact O-N 3.11Å
256P86.8Confident85.4Confident0 Ų055.4 Ų55.40%029%0.288CS..Hα-helixtrans-57.6-34.6178.3-2433.7000114T254 I259 Y260 A286 M287 L296 H412T254-P256 WeakPolarHBondContact O-CD 3.16Å; P256-I259 PolarHBondContact O-N 3.32Å; P256-Y260 WeakPolarHBondContact O-CB 3.45Å; P256-Y260 PolarHBondContact O-N 3.37Å; P256-A286 HydrophobicContact CB-CB 4.08Å; P256-M287 HydrophobicContact CB-CG 3.89Å; P256-M287 HydrophobicContact CB-SD 3.9Å; P256-M287 HydrophobicContact CG-CG 4Å; P256-M287 HydrophobicContact CG-SD 3.9Å; P256-L296 HydrophobicContact CG-CD2 4.36Å; P256-H412 HydrophobicContact CG-CB 4.45Å
257V88.9Confident85.2Confident17 Ų1751.9 Ų51.910%0.10327%0.268CS..Hα-helixtrans-70.4-41.7-178.5179.90000110.3D255 I259 Y260 K261 V281 P283D255-V257 VanDerWaalsContact C-N 3.26Å; D255-V257 PolarHBondContact O-N 3.47Å; D255-V257 WeakPolarHBondContact OD1-CB 3.45Å; D255-V257 PolarHBondContact OD1-N 3.47Å; V257-I259 VanDerWaalsContact C-N 3.33Å; V257-I259 PolarHBondContact O-N 3.41Å; V257-Y260 PolarHBondContact O-N 2.95Å; V257-K261 HydrophobicContact CG1-CD 4.2Å; V257-K261 WeakPolarHBondContact O-CB 3.44Å; V257-K261 WeakPolarHBondContact O-CG 3.38Å; V257-K261 PolarHBondContact O-N 3.49Å; V257-V281 HydrophobicContact CG1-CG2 4.39Å; V257-P283 HydrophobicContact CG2-CB 4.36Å; V257-P283 HydrophobicContact CG2-CG 3.92Å
258D86.8Confident85.1Confident67 Ų6750.6 Ų50.636%0.35826%0.26SS..Hα-helixtrans-66.1-36.5176-79-17.6000112.3K253 D255 G262K253-D258 HydrophobicContact CD-CB 4.44Å; D255-D258 HydrophobicContact CB-CB 4.09Å; D255-D258 PolarHBondContact O-N 2.71Å; D258-G262 PolarHBondContact O-N 2.9Å
259I88.2Confident85.1Confident9 Ų946.3 Ų46.35%0.04626%0.255CS..Hα-helixtrans-66.3-45.6175.5-66.2169000109.9K253 D255 P256 V257 G262 W263 V292 R295 L296K253-I259 HydrophobicContact CB-CG1 4.16Å; D255-I259 WeakPolarHBondContact O-CG1 3Å; D255-I259 PolarHBondContact O-N 3.02Å; D255-I259 VanDerWaalsContact O-N 3.11Å; P256-I259 PolarHBondContact O-N 3.32Å; V257-I259 VanDerWaalsContact C-N 3.33Å; V257-I259 PolarHBondContact O-N 3.41Å; I259-G262 PolarHBondContact O-N 2.84Å; I259-W263 WeakPolarHBondContact O-CB 3.4Å; I259-W263 PolarHBondContact O-N 2.93Å; I259-V292 HydrophobicContact CB-CG1 4.34Å; I259-V292 HydrophobicContact CG2-CG1 4.02Å; I259-R295 HydrophobicContact CG2-CB 3.76Å; I259-L296 HydrophobicContact CD1-CB 3.8Å; I259-L296 HydrophobicContact CD1-CD1 3.58Å; I259-L296 HydrophobicContact CD1-CG 4.27Å
260Y89.4Confident85Confident1 Ų147.1 Ų47.10%0.00425%0.25CC..Hα-helixtrans-60.8-49.8176.6173-90.2000111.9P256 V257 G262 W263 V264 L277 P278 V281 A286 H289 V292P256-Y260 WeakPolarHBondContact O-CB 3.45Å; P256-Y260 PolarHBondContact O-N 3.37Å; V257-Y260 PolarHBondContact O-N 2.95Å; Y260-G262 VanDerWaalsContact C-N 3.29Å; Y260-G262 PolarHBondContact O-N 3.42Å; Y260-W263 AromaticContact CD2-CE3 3.92Å; Y260-W263 HydrophobicContact CD2-CE3 3.92Å; Y260-W263 HydrophobicContact CD2-CZ3 4.04Å; Y260-W263 HydrophobicContact CE2-CE3 4.24Å; Y260-W263 HydrophobicContact CE2-CZ3 4.01Å; Y260-W263 WeakPolarHBondContact O-CB 3.44Å; Y260-W263 PolarHBondContact O-N 3.24Å; Y260-W263 VanDerWaalsContact O-N 3.09Å; Y260-V264 HydrophobicContact CD1-CG2 4.17Å; Y260-V264 HydrophobicContact CE1-CG2 3.76Å; Y260-V264 HydrophobicContact CE2-CG2 4.14Å; Y260-V264 WeakPolarHBondContact O-CG2 3.39Å; Y260-V264 PolarHBondContact O-N 3.29Å; Y260-L277 HydrophobicContact CE2-CD1 4.45Å; Y260-L277 WeakPolarHBondContact OH-CB 3.2Å; Y260-P278 WeakPolarHBondContact CE1-O 3.37Å; Y260-P278 WeakPolarHBondContact OH-CD 3.43Å; Y260-P278 PolarHBondContact OH-O 3.24Å; Y260-V281 HydrophobicContact CD1-CB 4.47Å; Y260-V281 HydrophobicContact CD1-CG1 4.3Å; Y260-V281 HydrophobicContact CD1-CG2 3.34Å; Y260-V281 HydrophobicContact CE1-CB 4.28Å; Y260-V281 HydrophobicContact CE1-CG1 3.64Å; Y260-V281 HydrophobicContact CE1-CG2 3.58Å; Y260-V281 HydrophobicContact CE2-CG1 4.49Å; Y260-V281 HydrophobicContact CG-CG2 3.85Å; Y260-A286 HydrophobicContact CG-CB 4.41Å; Y260-H289 AromaticContact CD2-CD2 3.89Å; Y260-H289 AromaticContact CE2-CD2 3.68Å; Y260-H289 AromaticContact CE2-NE2 3.66Å; Y260-V292 HydrophobicContact CD2-CG2 4.03Å
261K88.1Confident84.9Confident79 Ų7951.1 Ų51.134%0.34328%0.275SS..Hα-helixtrans-59.2-41.6176.6-73.8177.2179.4176.50111.6V257 W263 V264 N265 Y279V257-K261 HydrophobicContact CG1-CD 4.2Å; V257-K261 WeakPolarHBondContact O-CB 3.44Å; V257-K261 WeakPolarHBondContact O-CG 3.38Å; V257-K261 PolarHBondContact O-N 3.49Å; K261-W263 VanDerWaalsContact C-N 3.34Å; K261-W263 PolarHBondContact O-N 2.97Å; K261-V264 PolarHBondContact O-N 2.85Å; K261-N265 WeakPolarHBondContact O-CB 3.35Å; K261-N265 PolarHBondContact O-N 2.92Å; K261-N265 PolarHBondContact O-ND2 2.83Å; K261-N265 PolarHBondContact O-OD1 2.93Å; K261-Y279 WeakPolarHBondContact CE-O 3.23Å
262G86Confident84.8Confident27 Ų2751.3 Ų51.328%0.27829%0.293SS..Hα-helixtrans-61.6-40.4174.700000113.2D258 I259 Y260 Q266D258-G262 PolarHBondContact O-N 2.9Å; I259-G262 PolarHBondContact O-N 2.84Å; Y260-G262 VanDerWaalsContact C-N 3.29Å; Y260-G262 PolarHBondContact O-N 3.42Å; G262-Q266 VanDerWaalsContact O-CB 3.32Å; G262-Q266 WeakPolarHBondContact O-CB 3.35Å; G262-Q266 PolarHBondContact O-N 2.87Å
263W87.6Confident84.3Confident39 Ų3958.4 Ų58.415%0.14833%0.326CS..Hα-helixtrans-66.7-46.7175.917048.4000112.3I259 Y260 K261 Q266 M267 L277 H289 E291 V292I259-W263 WeakPolarHBondContact O-CB 3.4Å; I259-W263 PolarHBondContact O-N 2.93Å; Y260-W263 AromaticContact CD2-CE3 3.92Å; Y260-W263 HydrophobicContact CD2-CE3 3.92Å; Y260-W263 HydrophobicContact CD2-CZ3 4.04Å; Y260-W263 HydrophobicContact CE2-CE3 4.24Å; Y260-W263 HydrophobicContact CE2-CZ3 4.01Å; Y260-W263 WeakPolarHBondContact O-CB 3.44Å; Y260-W263 PolarHBondContact O-N 3.24Å; Y260-W263 VanDerWaalsContact O-N 3.09Å; K261-W263 VanDerWaalsContact C-N 3.34Å; K261-W263 PolarHBondContact O-N 2.97Å; W263-Q266 WeakPolarHBondContact O-CB 3.45Å; W263-Q266 PolarHBondContact O-N 3.45Å; W263-M267 HydrophobicContact CD2-CE 3.76Å; W263-M267 HydrophobicContact CD2-SD 4.5Å; W263-M267 VanDerWaalsContact CE2-SD 3.6Å; W263-M267 HydrophobicContact CE3-CE 4.23Å; W263-M267 HydrophobicContact CG-CE 4.27Å; W263-M267 HydrophobicContact CH2-CE 4.06Å; W263-M267 HydrophobicContact CZ2-CE 3.54Å; W263-M267 HydrophobicContact CZ2-SD 3.73Å; W263-M267 HydrophobicContact CZ3-CE 4.37Å; W263-M267 PolarHBondContact NE1-SD 3.05Å; W263-M267 VanDerWaalsContact NE1-SD 3.37Å; W263-M267 WeakPolarHBondContact O-CG 3.32Å; W263-M267 PolarHBondContact O-N 2.95Å; W263-L277 HydrophobicContact CH2-CD1 3.81Å; W263-L277 HydrophobicContact CZ3-CD1 3.79Å; W263-H289 HydrophobicContact CZ3-CB 4.1Å; W263-H289 AromaticContact CZ3-CG 3.92Å; W263-E291 HydrophobicContact CD2-CB 4.44Å; W263-E291 HydrophobicContact CD2-CG 4.12Å; W263-E291 HydrophobicContact CG-CG 4.15Å; W263-E291 HydrophobicContact CZ2-CB 4.2Å; W263-E291 HydrophobicContact CZ2-CG 4.37Å; W263-V292 HydrophobicContact CE3-CG2 3.98Å; W263-V292 HydrophobicContact CZ3-CG2 4.41Å
264V86.5Confident84Confident2 Ų259.8 Ų59.81%0.01235%0.346CS..Hα-helixtrans-58.5-50.7176.2172.40000110.8Y260 K261 Q266 M267 E268 S275 L277 Y279Y260-V264 HydrophobicContact CD1-CG2 4.17Å; Y260-V264 HydrophobicContact CE1-CG2 3.76Å; Y260-V264 HydrophobicContact CE2-CG2 4.14Å; Y260-V264 WeakPolarHBondContact O-CG2 3.39Å; Y260-V264 PolarHBondContact O-N 3.29Å; K261-V264 PolarHBondContact O-N 2.85Å; V264-Q266 VanDerWaalsContact C-N 3.26Å; V264-Q266 PolarHBondContact O-N 3.11Å; V264-M267 HydrophobicContact CG2-CE 4.39Å; V264-M267 WeakPolarHBondContact O-CB 3.44Å; V264-M267 PolarHBondContact O-N 2.88Å; V264-M267 VanDerWaalsContact O-N 3.1Å; V264-E268 HydrophobicContact CG1-CG 4.42Å; V264-E268 WeakPolarHBondContact O-CG 3.38Å; V264-E268 PolarHBondContact O-N 3.34Å; V264-S275 WeakPolarHBondContact CG1-OG 3.08Å; V264-L277 HydrophobicContact CG2-CB 4.31Å; V264-L277 HydrophobicContact CG2-CD1 4.1Å; V264-Y279 HydrophobicContact CG1-CD1 4.24Å; V264-Y279 HydrophobicContact CG1-CE1 4.01Å
265N85.7Confident83.8Confident92 Ų9259.4 Ų59.449%0.49235%0.345SS..Hα-helixtrans-59.9-36.8178.5-68-12.4000112.3K261 S269K261-N265 WeakPolarHBondContact O-CB 3.35Å; K261-N265 PolarHBondContact O-N 2.92Å; K261-N265 PolarHBondContact O-ND2 2.83Å; K261-N265 PolarHBondContact O-OD1 2.93Å; N265-S269 WeakPolarHBondContact O-CB 3.49Å; N265-S269 PolarHBondContact O-N 3.27Å
266Q84.8Confident83.6Confident85 Ų8566.4 Ų66.440%0.39737%0.373SS..Hα-helixtrans-66.9-42.2176.3-173.4-179.918.100111.6G262 W263 V264 S269 Q270G262-Q266 VanDerWaalsContact O-CB 3.32Å; G262-Q266 WeakPolarHBondContact O-CB 3.35Å; G262-Q266 PolarHBondContact O-N 2.87Å; W263-Q266 WeakPolarHBondContact O-CB 3.45Å; W263-Q266 PolarHBondContact O-N 3.45Å; V264-Q266 VanDerWaalsContact C-N 3.26Å; V264-Q266 PolarHBondContact O-N 3.11Å; Q266-S269 PolarHBondContact O-N 3.3Å; Q266-Q270 WeakPolarHBondContact O-CB 3.33Å; Q266-Q270 VanDerWaalsContact O-CG 3.26Å; Q266-Q270 WeakPolarHBondContact O-CG 3.38Å; Q266-Q270 PolarHBondContact O-N 3Å
267M81.1Confident83.4Confident52 Ų5268.8 Ų68.826%0.25639%0.385SS..Hα-helixtrans-63.3-44.9175.9-73-168.2-66.300111.7W263 V264 S269 Q270 T271 L277W263-M267 HydrophobicContact CD2-CE 3.76Å; W263-M267 HydrophobicContact CD2-SD 4.5Å; W263-M267 VanDerWaalsContact CE2-SD 3.6Å; W263-M267 HydrophobicContact CE3-CE 4.23Å; W263-M267 HydrophobicContact CG-CE 4.27Å; W263-M267 HydrophobicContact CH2-CE 4.06Å; W263-M267 HydrophobicContact CZ2-CE 3.54Å; W263-M267 HydrophobicContact CZ2-SD 3.73Å; W263-M267 HydrophobicContact CZ3-CE 4.37Å; W263-M267 PolarHBondContact NE1-SD 3.05Å; W263-M267 VanDerWaalsContact NE1-SD 3.37Å; W263-M267 WeakPolarHBondContact O-CG 3.32Å; W263-M267 PolarHBondContact O-N 2.95Å; V264-M267 HydrophobicContact CG2-CE 4.39Å; V264-M267 WeakPolarHBondContact O-CB 3.44Å; V264-M267 PolarHBondContact O-N 2.88Å; V264-M267 VanDerWaalsContact O-N 3.1Å; M267-S269 VanDerWaalsContact C-N 3.35Å; M267-S269 PolarHBondContact O-N 2.75Å; M267-Q270 PolarHBondContact O-N 3.46Å; M267-T271 WeakPolarHBondContact O-CB 3.39Å; M267-T271 WeakPolarHBondContact O-CG2 3.36Å; M267-T271 PolarHBondContact O-N 2.99Å; M267-T271 PolarHBondContact O-OG1 3.07Å; M267-L277 HydrophobicContact CE-CD1 3.65Å
268E85.1Confident83.2Confident37 Ų3771.5 Ų71.517%0.17340%0.403CS..Hα-helixtrans-64.2-40178.1-67.1-177.9163.800111.8V264 Q270 G272 S275 Y279V264-E268 HydrophobicContact CG1-CG 4.42Å; V264-E268 WeakPolarHBondContact O-CG 3.38Å; V264-E268 PolarHBondContact O-N 3.34Å; E268-Q270 VanDerWaalsContact C-N 3.31Å; E268-Q270 PolarHBondContact O-N 3.09Å; E268-G272 VanDerWaalsContact O-CA 3.32Å; E268-G272 WeakPolarHBondContact O-CA 3.36Å; E268-G272 PolarHBondContact O-N 3.16Å; E268-S275 WeakPolarHBondContact OE1-CB 3.37Å; E268-S275 PolarHBondContact OE1-N 2.79Å; E268-S275 PolarHBondContact OE1-OG 3.44Å; E268-Y279 WeakPolarHBondContact OE1-CE1 3.48Å; E268-Y279 PolarHBondContact OE1-OH 2.82Å
269S80.4Confident82.7Confident106 Ų10674.1 Ų74.174%0.74141%0.409SS*.Hα-helixtrans-67.1-30.5175.9-176.20000113.1N265 Q266 M267N265-S269 WeakPolarHBondContact O-CB 3.49Å; N265-S269 PolarHBondContact O-N 3.27Å; Q266-S269 PolarHBondContact O-N 3.3Å; M267-S269 VanDerWaalsContact C-N 3.35Å; M267-S269 PolarHBondContact O-N 2.75Å
270Q79.1Confident82.5Confident144 Ų14480 Ų8067%0.67344%0.44SS*.Hα-helixtrans-82.9-36.2179.5-74.7174.5-200112.5Q266 M267 E268Q266-Q270 WeakPolarHBondContact O-CB 3.33Å; Q266-Q270 VanDerWaalsContact O-CG 3.26Å; Q266-Q270 WeakPolarHBondContact O-CG 3.38Å; Q266-Q270 PolarHBondContact O-N 3Å; M267-Q270 PolarHBondContact O-N 3.46Å; E268-Q270 VanDerWaalsContact C-N 3.31Å; E268-Q270 PolarHBondContact O-N 3.09Å
271T79.2Confident82.4Confident95 Ų9580.5 Ų80.558%0.58344%0.443SS*.Hα-helixtrans-89-26.3-17855.90000112.8M267 E273M267-T271 WeakPolarHBondContact O-CB 3.39Å; M267-T271 WeakPolarHBondContact O-CG2 3.36Å; M267-T271 PolarHBondContact O-N 2.99Å; M267-T271 PolarHBondContact O-OG1 3.07Å; T271-E273 PolarHBondContact O-N 3.25Å; T271-E273 PolarHBondContact OG1-O 2.69Å
272G78.4Confident82.3Confident72 Ų7279.8 Ų79.874%0.74245%0.446SS*.SBendtrans74.73.7-174.800000114.1E268E268-G272 VanDerWaalsContact O-CA 3.32Å; E268-G272 WeakPolarHBondContact O-CA 3.36Å; E268-G272 PolarHBondContact O-N 3.16Å
273E74.9Confident82.2Confident150 Ų15081.3 Ų81.370%0.70145%0.451SS*.SBendtrans-117.8149-179.7-64.7-173169.700110.6T271 S275T271-E273 PolarHBondContact O-N 3.25Å; T271-E273 PolarHBondContact OG1-O 2.69Å; E273-S275 PolarHBondContact O-N 2.83Å
274A77.8Confident82Confident77 Ų7787.4 Ų87.464%0.63648%0.481SS*.  trans-65.2132.817600000110.3
275S79.2Confident82Confident28 Ų2892.2 Ų92.220%0.19650%0.503CS..  trans-68.4152-178.186.70000110.7V264 E268 E273 L277V264-S275 WeakPolarHBondContact CG1-OG 3.08Å; E268-S275 WeakPolarHBondContact OE1-CB 3.37Å; E268-S275 PolarHBondContact OE1-N 2.79Å; E268-S275 PolarHBondContact OE1-OG 3.44Å; E273-S275 PolarHBondContact O-N 2.83Å; S275-L277 PolarHBondContact O-N 3.12Å; S275-L277 PolarHBondContact OG-N 3.41Å
276K80.7Confident82Confident216 Ų21687.9 Ų87.994%0.93948%0.48SS*.SBendtrans-80.12.3172.8-64.7-177.3-179.41770112.9
277L83.3Confident81.9Confident49 Ų4986.3 Ų86.326%0.25747%0.473SS..SBendtrans-89.6144.3-176.5-69.5179.6000110.4Y260 W263 V264 M267 S275Y260-L277 HydrophobicContact CE2-CD1 4.45Å; Y260-L277 WeakPolarHBondContact OH-CB 3.2Å; W263-L277 HydrophobicContact CH2-CD1 3.81Å; W263-L277 HydrophobicContact CZ3-CD1 3.79Å; V264-L277 HydrophobicContact CG2-CB 4.31Å; V264-L277 HydrophobicContact CG2-CD1 4.1Å; M267-L277 HydrophobicContact CE-CD1 3.65Å; S275-L277 PolarHBondContact O-N 3.12Å; S275-L277 PolarHBondContact OG-N 3.41Å
278P84.6Confident82.3Confident75 Ų7588.4 Ų88.449%0.48749%0.489SS..  trans-66.313617826.5-32.9000110.7Y260 V281Y260-P278 WeakPolarHBondContact CE1-O 3.37Å; Y260-P278 WeakPolarHBondContact OH-CD 3.43Å; Y260-P278 PolarHBondContact OH-O 3.24Å; P278-V281 HydrophobicContact CB-CG1 4.37Å; P278-V281 HydrophobicContact CG-CG1 3.83Å
279Y76.8Confident82.5Confident122 Ų12289.2 Ų89.248%0.47849%0.493SS..SBendtrans-75.7-24.8-179.7-67.7-73.4000114K261 V264 E268K261-Y279 WeakPolarHBondContact CE-O 3.23Å; V264-Y279 HydrophobicContact CG1-CD1 4.24Å; V264-Y279 HydrophobicContact CG1-CE1 4.01Å; E268-Y279 WeakPolarHBondContact OE1-CE1 3.48Å; E268-Y279 PolarHBondContact OE1-OH 2.82Å
280D83.9Confident82.9Confident131 Ų13190.9 Ų90.970%0.70149%0.489SS*.SBendtrans-113.6120.3178.4-154.716.3000109.4
281V86.6Confident83.3Confident12 Ų1287.8 Ų87.87%0.07347%0.474CS..  trans-139.5146.4-174.5-66.30000109.8V257 Y260 P278 Q285 A286V257-V281 HydrophobicContact CG1-CG2 4.39Å; Y260-V281 HydrophobicContact CD1-CB 4.47Å; Y260-V281 HydrophobicContact CD1-CG1 4.3Å; Y260-V281 HydrophobicContact CD1-CG2 3.34Å; Y260-V281 HydrophobicContact CE1-CB 4.28Å; Y260-V281 HydrophobicContact CE1-CG1 3.64Å; Y260-V281 HydrophobicContact CE1-CG2 3.58Å; Y260-V281 HydrophobicContact CE2-CG1 4.49Å; Y260-V281 HydrophobicContact CG-CG2 3.85Å; P278-V281 HydrophobicContact CB-CG1 4.37Å; P278-V281 HydrophobicContact CG-CG1 3.83Å; V281-Q285 HydrophobicContact CB-CB 4.28Å; V281-A286 HydrophobicContact CG2-CB 4Å
282T86.6Confident83.8Confident64 Ų6483.2 Ų83.239%0.39345%0.447SS..  trans-74157.817059.20000110.7E284 Q285 A286T282-E284 PolarHBondContact O-N 2.9Å; T282-Q285 PolarHBondContact O-N 2.91Å; T282-Q285 VanDerWaalsContact O-N 3.14Å; T282-Q285 WeakPolarHBondContact OG1-CB 3.37Å; T282-Q285 WeakPolarHBondContact OG1-CG 3.39Å; T282-Q285 PolarHBondContact OG1-N 3.47Å; T282-Q285 PolarHBondContact OG1-OE1 2.97Å; T282-A286 PolarHBondContact O-N 3.29Å
283P83.9Confident84.3Confident60 Ų6085.1 Ų85.139%0.3943%0.431SS..Hα-helixtrans-55.2-37.1176-26.234.2000113.2V257 A286 M287V257-P283 HydrophobicContact CG2-CB 4.36Å; V257-P283 HydrophobicContact CG2-CG 3.92Å; P283-A286 PolarHBondContact O-N 3.31Å; P283-M287 WeakPolarHBondContact O-CB 3.18Å; P283-M287 WeakPolarHBondContact O-CG 3.26Å; P283-M287 PolarHBondContact O-N 3.25Å
284E84.2Confident85Confident167 Ų16781.7 Ų81.778%0.7842%0.42SS*.Hα-helixtrans-65.6-44.6177.7-63.5174.7-178.400111.8T282 M287 T288T282-E284 PolarHBondContact O-N 2.9Å; E284-M287 PolarHBondContact O-N 3.06Å; E284-T288 WeakPolarHBondContact O-CG2 3.38Å; E284-T288 PolarHBondContact O-N 3.18Å
285Q84.9Confident85.6Confident103 Ų10381.1 Ų81.148%0.48140%0.402SS..Hα-helixtrans-65.6-43.1176.1-72.7164.8-21.400111.7V281 T282 M287 T288V281-Q285 HydrophobicContact CB-CB 4.28Å; T282-Q285 PolarHBondContact O-N 2.91Å; T282-Q285 VanDerWaalsContact O-N 3.14Å; T282-Q285 WeakPolarHBondContact OG1-CB 3.37Å; T282-Q285 WeakPolarHBondContact OG1-CG 3.39Å; T282-Q285 PolarHBondContact OG1-N 3.47Å; T282-Q285 PolarHBondContact OG1-OE1 2.97Å; Q285-M287 VanDerWaalsContact C-N 3.26Å; Q285-M287 PolarHBondContact O-N 3.3Å; Q285-T288 WeakPolarHBondContact O-CB 3.32Å; Q285-T288 PolarHBondContact O-N 3.34Å; Q285-T288 VanDerWaalsContact O-N 3.11Å; Q285-T288 PolarHBondContact O-OG1 3.27Å
286A85.8Confident86.1Confident0 Ų080 Ų800%039%0.394CS..Hα-helixtrans-58-40.5175.600000111.6P256 Y260 V281 T282 P283 T288 H289 V292P256-A286 HydrophobicContact CB-CB 4.08Å; Y260-A286 HydrophobicContact CG-CB 4.41Å; V281-A286 HydrophobicContact CG2-CB 4Å; T282-A286 PolarHBondContact O-N 3.29Å; P283-A286 PolarHBondContact O-N 3.31Å; A286-T288 VanDerWaalsContact C-N 3.25Å; A286-T288 PolarHBondContact O-N 2.83Å; A286-H289 PolarHBondContact O-N 3.02Å; A286-V292 WeakPolarHBondContact O-CB 3.21Å; A286-V292 WeakPolarHBondContact O-CG1 3.42Å
287M84.4Confident86.4Confident52 Ų5276.2 Ų76.226%0.25638%0.379SS..THydrogen-bonded Turntrans-71.6-11179.2-72.5-65.1-71.100114.6P256 P283 E284 Q285 H289 R293 L296 H412P256-M287 HydrophobicContact CB-CG 3.89Å; P256-M287 HydrophobicContact CB-SD 3.9Å; P256-M287 HydrophobicContact CG-CG 4Å; P256-M287 HydrophobicContact CG-SD 3.9Å; P283-M287 WeakPolarHBondContact O-CB 3.18Å; P283-M287 WeakPolarHBondContact O-CG 3.26Å; P283-M287 PolarHBondContact O-N 3.25Å; E284-M287 PolarHBondContact O-N 3.06Å; Q285-M287 VanDerWaalsContact C-N 3.26Å; Q285-M287 PolarHBondContact O-N 3.3Å; M287-H289 VanDerWaalsContact C-N 3.26Å; M287-H289 PolarHBondContact O-N 2.71Å; M287-R293 HydrophobicContact CE-CG 4Å; M287-R293 VanDerWaalsContact O-CD 3.23Å; M287-R293 WeakPolarHBondContact O-CD 3.48Å; M287-R293 WeakPolarHBondContact O-CG 3.44Å; M287-R293 HydrophobicContact SD-CG 4.36Å; M287-L296 HydrophobicContact CE-CD2 3.77Å; M287-L296 HydrophobicContact SD-CD2 3.51Å; M287-L296 VanDerWaalsContact SD-CD2 3.51Å; M287-H412 HydrophobicContact CE-CB 4.16Å
288T88.3Confident86.7Confident97 Ų9776.2 Ų76.260%0.59539%0.386SS*.THydrogen-bonded Turntrans-70.2-24.7172.9660000112.5E284 Q285 A286E284-T288 WeakPolarHBondContact O-CG2 3.38Å; E284-T288 PolarHBondContact O-N 3.18Å; Q285-T288 WeakPolarHBondContact O-CB 3.32Å; Q285-T288 PolarHBondContact O-N 3.34Å; Q285-T288 VanDerWaalsContact O-N 3.11Å; Q285-T288 PolarHBondContact O-OG1 3.27Å; A286-T288 VanDerWaalsContact C-N 3.25Å; A286-T288 PolarHBondContact O-N 2.83Å
289H89.4Confident87Confident53 Ų5372.9 Ų72.925%0.24537%0.365CS..SBendtrans-80.3127.6-180-64.8-75.9000111.4Y260 W263 A286 M287 E291 V292 R293Y260-H289 AromaticContact CD2-CD2 3.89Å; Y260-H289 AromaticContact CE2-CD2 3.68Å; Y260-H289 AromaticContact CE2-NE2 3.66Å; W263-H289 HydrophobicContact CZ3-CB 4.1Å; W263-H289 AromaticContact CZ3-CG 3.92Å; A286-H289 PolarHBondContact O-N 3.02Å; M287-H289 VanDerWaalsContact C-N 3.26Å; M287-H289 PolarHBondContact O-N 2.71Å; H289-E291 PolarHBondContact O-N 2.87Å; H289-V292 HydrophobicContact CB-CB 4.24Å; H289-V292 HydrophobicContact CB-CG2 3.89Å; H289-V292 PolarHBondContact O-N 3.05Å; H289-R293 PolarHBondContact O-N 2.85Å
290E89.6Confident87.5Confident141 Ų14167.7 Ų67.766%0.65935%0.345SS*.Hα-helixtrans-59.1-45.8179.3-170.8174.2-179.700112.5V292 R293 T294E290-V292 VanDerWaalsContact C-N 3.28Å; E290-V292 PolarHBondContact O-N 2.95Å; E290-R293 WeakPolarHBondContact O-CB 3.48Å; E290-R293 PolarHBondContact O-N 3.39Å; E290-T294 PolarHBondContact O-N 3.07Å; E290-T294 PolarHBondContact O-OG1 3.3Å
291E87.7Confident87.8Confident79 Ų7968.9 Ų68.937%0.36934%0.344SS..Hα-helixtrans-57.2-39.2178.5-174.167.5-166.800112.6W263 H289 R295W263-E291 HydrophobicContact CD2-CB 4.44Å; W263-E291 HydrophobicContact CD2-CG 4.12Å; W263-E291 HydrophobicContact CG-CG 4.15Å; W263-E291 HydrophobicContact CZ2-CB 4.2Å; W263-E291 HydrophobicContact CZ2-CG 4.37Å; H289-E291 PolarHBondContact O-N 2.87Å; E291-R295 WeakPolarHBondContact O-CB 3.4Å; E291-R295 VanDerWaalsContact O-CG 3.25Å; E291-R295 WeakPolarHBondContact O-CG 3.46Å; E291-R295 PolarHBondContact O-N 3.12Å; E291-R295 IonicContact OE1-CZ 2.88Å; E291-R295 IonicContact OE1-NE 3.58Å; E291-R295 PolarHBondContact OE1-NE 3.4Å; E291-R295 IonicContact OE1-NH2 3.65Å; E291-R295 PolarHBondContact OE1-NH2 2.88Å
292V89.4Confident88Confident0 Ų073 Ų730%036%0.362CS..Hα-helixtrans-67.6-42.1177.6176.70000110.6I259 Y260 W263 A286 H289 E290 R295 L296I259-V292 HydrophobicContact CB-CG1 4.34Å; I259-V292 HydrophobicContact CG2-CG1 4.02Å; Y260-V292 HydrophobicContact CD2-CG2 4.03Å; W263-V292 HydrophobicContact CE3-CG2 3.98Å; W263-V292 HydrophobicContact CZ3-CG2 4.41Å; A286-V292 WeakPolarHBondContact O-CB 3.21Å; A286-V292 WeakPolarHBondContact O-CG1 3.42Å; H289-V292 HydrophobicContact CB-CB 4.24Å; H289-V292 HydrophobicContact CB-CG2 3.89Å; H289-V292 PolarHBondContact O-N 3.05Å; E290-V292 VanDerWaalsContact C-N 3.28Å; E290-V292 PolarHBondContact O-N 2.95Å; V292-R295 PolarHBondContact O-N 3.18Å; V292-L296 VanDerWaalsContact O-CB 3.25Å; V292-L296 WeakPolarHBondContact O-CB 3.37Å; V292-L296 PolarHBondContact O-N 2.91Å
293R88.5Confident88.1Confident112 Ų11270 Ų7042%0.42334%0.344SS..Hα-helixtrans-62.9-46.9176.5-68.6-175.7-68.6-179.33111.8M287 H289 E290 R295 L296 E297M287-R293 HydrophobicContact CE-CG 4Å; M287-R293 VanDerWaalsContact O-CD 3.23Å; M287-R293 WeakPolarHBondContact O-CD 3.48Å; M287-R293 WeakPolarHBondContact O-CG 3.44Å; M287-R293 HydrophobicContact SD-CG 4.36Å; H289-R293 PolarHBondContact O-N 2.85Å; E290-R293 WeakPolarHBondContact O-CB 3.48Å; E290-R293 PolarHBondContact O-N 3.39Å; R293-R295 PolarHBondContact O-N 3.2Å; R293-L296 PolarHBondContact O-N 3.22Å; R293-E297 WeakPolarHBondContact O-CG 3.41Å; R293-E297 PolarHBondContact O-N 3.33Å
294T89.8Confident88.5Confident77 Ų7769.9 Ų69.947%0.47234%0.337SS..Hα-helixtrans-62.4-44179-52.70000111.8E290 E297 A298E290-T294 PolarHBondContact O-N 3.07Å; E290-T294 PolarHBondContact O-OG1 3.3Å; T294-E297 PolarHBondContact O-N 3.35Å; T294-A298 PolarHBondContact O-N 3.34Å; T294-A298 VanDerWaalsContact O-N 3.12Å
295R89.3Confident88.8Confident66 Ų6665 Ų6525%0.24932%0.321CS..Hα-helixtrans-63.9-41.4175.7-72.1178.1-172.4-147.60.1111.7I259 E291 V292 R293 A298 S299I259-R295 HydrophobicContact CG2-CB 3.76Å; E291-R295 WeakPolarHBondContact O-CB 3.4Å; E291-R295 VanDerWaalsContact O-CG 3.25Å; E291-R295 WeakPolarHBondContact O-CG 3.46Å; E291-R295 PolarHBondContact O-N 3.12Å; E291-R295 IonicContact OE1-CZ 2.88Å; E291-R295 IonicContact OE1-NE 3.58Å; E291-R295 PolarHBondContact OE1-NE 3.4Å; E291-R295 IonicContact OE1-NH2 3.65Å; E291-R295 PolarHBondContact OE1-NH2 2.88Å; V292-R295 PolarHBondContact O-N 3.18Å; R293-R295 PolarHBondContact O-N 3.2Å; R295-A298 PolarHBondContact O-N 3.43Å; R295-S299 WeakPolarHBondContact O-CB 3.49Å; R295-S299 PolarHBondContact O-N 2.88Å; R295-S299 PolarHBondContact O-OG 3.28Å
296L89.8Confident89.2Confident4 Ų461 Ų612%0.02130%0.303CS..Hα-helixtrans-63.5-45.9177.3179.264.3000111.8T254 P256 I259 M287 V292 R293 A298 S299 I300 H412T254-L296 WeakPolarHBondContact O-CD1 3.14Å; P256-L296 HydrophobicContact CG-CD2 4.36Å; I259-L296 HydrophobicContact CD1-CB 3.8Å; I259-L296 HydrophobicContact CD1-CD1 3.58Å; I259-L296 HydrophobicContact CD1-CG 4.27Å; M287-L296 HydrophobicContact CE-CD2 3.77Å; M287-L296 HydrophobicContact SD-CD2 3.51Å; M287-L296 VanDerWaalsContact SD-CD2 3.51Å; V292-L296 VanDerWaalsContact O-CB 3.25Å; V292-L296 WeakPolarHBondContact O-CB 3.37Å; V292-L296 PolarHBondContact O-N 2.91Å; R293-L296 PolarHBondContact O-N 3.22Å; L296-A298 VanDerWaalsContact C-N 3.34Å; L296-A298 PolarHBondContact O-N 3.48Å; L296-S299 PolarHBondContact O-N 2.92Å; L296-I300 HydrophobicContact CD1-CD1 4.1Å; L296-I300 HydrophobicContact CD1-CG1 4.21Å; L296-I300 HydrophobicContact CG-CD1 3.91Å; L296-I300 HydrophobicContact CG-CG1 4.39Å; L296-I300 VanDerWaalsContact O-CG1 3.29Å; L296-I300 WeakPolarHBondContact O-CG1 3.42Å; L296-I300 PolarHBondContact O-N 3.18Å; L296-H412 HydrophobicContact CD2-CB 4.13Å
297E88.2Confident89.5Confident137 Ų13761 Ų6164%0.6430%0.303SS*.Hα-helixtrans-60.1-43.6177.4-76.1178.8-175.100112.1R293 T294 I300 K301R293-E297 WeakPolarHBondContact O-CG 3.41Å; R293-E297 PolarHBondContact O-N 3.33Å; T294-E297 PolarHBondContact O-N 3.35Å; E297-I300 PolarHBondContact O-N 3.48Å; E297-K301 PolarHBondContact O-N 2.92Å
298A89.3Confident90Very high48 Ų4861 Ų6140%0.39730%0.304SS..Hα-helixtrans-61.4-45.6174.600000111.6T294 R295 L296 I300 K301 H302T294-A298 PolarHBondContact O-N 3.34Å; T294-A298 VanDerWaalsContact O-N 3.12Å; R295-A298 PolarHBondContact O-N 3.43Å; L296-A298 VanDerWaalsContact C-N 3.34Å; L296-A298 PolarHBondContact O-N 3.48Å; A298-I300 PolarHBondContact O-N 3.4Å; A298-K301 PolarHBondContact O-N 3.01Å; A298-H302 PolarHBondContact O-N 3.46Å
299S89.7Confident90.2Very high5 Ų560.4 Ų60.44%0.03529%0.293CS..Hα-helixtrans-63.4-39.2176.4-73.80000112.7N251 K253 R295 L296 H302 M303N251-S299 PolarHBondContact O-OG 3.16Å; K253-S299 VanDerWaalsContact O-CB 3.25Å; K253-S299 WeakPolarHBondContact O-CB 3.46Å; R295-S299 WeakPolarHBondContact O-CB 3.49Å; R295-S299 PolarHBondContact O-N 2.88Å; R295-S299 PolarHBondContact O-OG 3.28Å; L296-S299 PolarHBondContact O-N 2.92Å; S299-H302 PolarHBondContact O-N 3.36Å; S299-M303 VanDerWaalsContact O-CB 3.23Å; S299-M303 WeakPolarHBondContact O-CB 3.48Å; S299-M303 PolarHBondContact O-N 3.36Å
300I88.8Confident90.5Very high13 Ų1358 Ų587%0.06728%0.282CS..Hα-helixtrans-63-42.6174.5-71.2172.1000110.6L296 E297 A298 M303 K304 L413 I416L296-I300 HydrophobicContact CD1-CD1 4.1Å; L296-I300 HydrophobicContact CD1-CG1 4.21Å; L296-I300 HydrophobicContact CG-CD1 3.91Å; L296-I300 HydrophobicContact CG-CG1 4.39Å; L296-I300 VanDerWaalsContact O-CG1 3.29Å; L296-I300 WeakPolarHBondContact O-CG1 3.42Å; L296-I300 PolarHBondContact O-N 3.18Å; E297-I300 PolarHBondContact O-N 3.48Å; A298-I300 PolarHBondContact O-N 3.4Å; I300-M303 PolarHBondContact O-N 2.88Å; I300-K304 HydrophobicContact CG2-CD 4.37Å; I300-K304 WeakPolarHBondContact O-CG 3.5Å; I300-K304 PolarHBondContact O-N 3.06Å; I300-L413 HydrophobicContact CD1-CD2 4.42Å; I300-I416 HydrophobicContact CG1-CD1 4.28Å; I300-I416 HydrophobicContact CG2-CD1 4.04Å; I300-I416 HydrophobicContact CG2-CG1 3.72Å
301K89.4Confident90.7Very high156 Ų15651.2 Ų51.268%0.67825%0.251SS*.Hα-helixtrans-63.6-44.9177.6-172.5179.5179.4-179.30111.7E297 A298 K304 S305E297-K301 PolarHBondContact O-N 2.92Å; A298-K301 PolarHBondContact O-N 3.01Å; K301-K304 PolarHBondContact O-N 3.39Å; K301-S305 PolarHBondContact O-N 3.25Å
302H90Very high90.9Very high99 Ų9949.8 Ų49.846%0.45825%0.249SC..Hα-helixtrans-63-44175.2-70.9171.4000111.9I252 A298 S299 K304 S305 I306I252-H302 HydrophobicContact CG2-CB 4.07Å; A298-H302 PolarHBondContact O-N 3.46Å; S299-H302 PolarHBondContact O-N 3.36Å; H302-K304 PolarHBondContact O-N 3.41Å; H302-S305 WeakPolarHBondContact O-CB 3.33Å; H302-S305 PolarHBondContact O-N 2.88Å; H302-I306 WeakPolarHBondContact O-CG1 3.47Å; H302-I306 PolarHBondContact O-N 3.38Å
303M90.2Very high91.1Very high2 Ų250.9 Ų50.91%0.0126%0.258CS..Hα-helixtrans-59.1-45.6177.2-177.571.583.400111.9I252 T254 S299 I300 I306 T307 V393 M396I252-M303 HydrophobicContact CB-CB 4.36Å; I252-M303 HydrophobicContact CB-CE 3.62Å; I252-M303 HydrophobicContact CB-SD 4.11Å; I252-M303 HydrophobicContact CD1-CE 3.85Å; I252-M303 HydrophobicContact CD1-SD 3.8Å; I252-M303 HydrophobicContact CG1-CE 3.88Å; I252-M303 HydrophobicContact CG1-SD 4.39Å; I252-M303 HydrophobicContact CG2-CB 4.36Å; I252-M303 WeakPolarHBondContact O-CE 3.36Å; T254-M303 HydrophobicContact CG2-CE 3.82Å; S299-M303 VanDerWaalsContact O-CB 3.23Å; S299-M303 WeakPolarHBondContact O-CB 3.48Å; S299-M303 PolarHBondContact O-N 3.36Å; I300-M303 PolarHBondContact O-N 2.88Å; M303-I306 PolarHBondContact O-N 3.34Å; M303-T307 VanDerWaalsContact O-CB 3.27Å; M303-T307 WeakPolarHBondContact O-CB 3.47Å; M303-T307 PolarHBondContact O-N 2.96Å; M303-T307 PolarHBondContact O-OG1 3.34Å; M303-V393 HydrophobicContact SD-CG2 4.18Å; M303-M396 HydrophobicContact CB-SD 4.34Å; M303-M396 HydrophobicContact CG-CE 4.32Å; M303-M396 HydrophobicContact CG-CG 4.37Å; M303-M396 HydrophobicContact CG-SD 3.09Å; M303-M396 WeakPolarHBondContact CG-SD 3.48Å; M303-M396 HydrophobicContact SD-SD 3.96Å
304K91.2Very high91.3Very high57 Ų5746 Ų4625%0.24824%0.24CC..Hα-helixtrans-59.2-48.5175-75.4177.6177.3-1750111.5I300 K301 H302 I306 T307 D308 P415 Y419I300-K304 HydrophobicContact CG2-CD 4.37Å; I300-K304 WeakPolarHBondContact O-CG 3.5Å; I300-K304 PolarHBondContact O-N 3.06Å; K301-K304 PolarHBondContact O-N 3.39Å; H302-K304 PolarHBondContact O-N 3.41Å; K304-I306 PolarHBondContact O-N 2.85Å; K304-T307 PolarHBondContact O-N 3.42Å; K304-D308 WeakPolarHBondContact O-CB 3.32Å; K304-D308 PolarHBondContact O-N 2.94Å; K304-P415 WeakPolarHBondContact CE-O 3.23Å; K304-P415 PolarHBondContact NZ-O 3.29Å; K304-Y419 HydrophobicContact CG-CD1 4.39Å; K304-Y419 HydrophobicContact CG-CG 4.3Å
305S92Very high91.3Very high63 Ų6344.6 Ų44.644%0.44123%0.229SC..Hα-helixtrans-57.9-46.7179.9-178.70000112.2K301 H302 D308 K309K301-S305 PolarHBondContact O-N 3.25Å; H302-S305 WeakPolarHBondContact O-CB 3.33Å; H302-S305 PolarHBondContact O-N 2.88Å; S305-D308 PolarHBondContact O-N 3.38Å; S305-K309 WeakPolarHBondContact O-CG 3.08Å; S305-K309 PolarHBondContact O-N 2.91Å; S305-K309 VanDerWaalsContact O-N 3.14Å
306I91.8Very high91.3Very high20 Ų2047.2 Ų47.210%0.10325%0.253CS..Hα-helixtrans-70.2-43.7-179.4-68.3170.7000111.2I244 L250 I252 H302 M303 K304 D308 K309 F310 V393I244-I306 HydrophobicContact CD1-CG2 3.61Å; I244-I306 HydrophobicContact CG1-CG2 3.97Å; L250-I306 HydrophobicContact CD1-CD1 3.27Å; L250-I306 HydrophobicContact CD2-CD1 3.69Å; L250-I306 HydrophobicContact CG-CD1 4.09Å; I252-I306 HydrophobicContact CG2-CD1 4.18Å; H302-I306 WeakPolarHBondContact O-CG1 3.47Å; H302-I306 PolarHBondContact O-N 3.38Å; M303-I306 PolarHBondContact O-N 3.34Å; K304-I306 PolarHBondContact O-N 2.85Å; I306-D308 PolarHBondContact O-N 3.47Å; I306-K309 WeakPolarHBondContact O-CB 3.42Å; I306-K309 PolarHBondContact O-N 3.02Å; I306-F310 HydrophobicContact CG2-CD2 4.2Å; I306-F310 HydrophobicContact CG2-CE2 4.16Å; I306-F310 WeakPolarHBondContact O-CD2 3.45Å; I306-F310 PolarHBondContact O-N 3.34Å; I306-F310 VanDerWaalsContact O-N 3.13Å; I306-V393 HydrophobicContact CG2-CG2 3.8Å
307T93.4Very high91.3Very high0 Ų047.4 Ų47.40%025%0.254CS..Hα-helixtrans-58.9-38.8175.9-56.40000111.1M303 K304 F310 L311 M396 L397 Y419M303-T307 VanDerWaalsContact O-CB 3.27Å; M303-T307 WeakPolarHBondContact O-CB 3.47Å; M303-T307 PolarHBondContact O-N 2.96Å; M303-T307 PolarHBondContact O-OG1 3.34Å; K304-T307 PolarHBondContact O-N 3.42Å; T307-F310 PolarHBondContact O-N 3.16Å; T307-L311 WeakPolarHBondContact O-CB 3.32Å; T307-L311 PolarHBondContact O-N 2.91Å; T307-M396 HydrophobicContact CG2-CB 3.94Å; T307-M396 HydrophobicContact CG2-CE 4.21Å; T307-L397 HydrophobicContact CG2-CD2 3.69Å; T307-L397 HydrophobicContact CG2-CG 3.9Å; T307-Y419 HydrophobicContact CG2-CE1 3.95Å
308D94.1Very high91.2Very high51 Ų5141.5 Ų41.527%0.27323%0.227SC..Hα-helixtrans-68.9-33.3178.9-161.462.8000112.8K304 S305 I306 L311 S312 Y419 K426K304-D308 WeakPolarHBondContact O-CB 3.32Å; K304-D308 PolarHBondContact O-N 2.94Å; S305-D308 PolarHBondContact O-N 3.38Å; I306-D308 PolarHBondContact O-N 3.47Å; D308-L311 PolarHBondContact O-N 2.75Å; D308-S312 VanDerWaalsContact O-CB 3.27Å; D308-S312 WeakPolarHBondContact O-CB 3.4Å; D308-S312 PolarHBondContact O-N 3.46Å; D308-S312 PolarHBondContact O-OG 2.9Å; D308-Y419 VanDerWaalsContact CA-OH 3.26Å; D308-Y419 WeakPolarHBondContact CA-OH 3.43Å; D308-Y419 HydrophobicContact CB-CE2 4.17Å; D308-Y419 PolarHBondContact N-OH 2.9Å; D308-K426 IonicContact OD1-NZ 3.88Å
309K93.4Very high91Very high85 Ų8545.7 Ų45.737%0.3724%0.243SC..Hα-helixtrans-62.8-45.3170.4-70.5177-179.41790111.8E243 S305 I306 S312 A313E243-K309 IonicContact OE1-NZ 2.84Å; E243-K309 PolarHBondContact OE1-NZ 3.48Å; E243-K309 IonicContact OE2-NZ 3.68Å; S305-K309 WeakPolarHBondContact O-CG 3.08Å; S305-K309 PolarHBondContact O-N 2.91Å; S305-K309 VanDerWaalsContact O-N 3.14Å; I306-K309 WeakPolarHBondContact O-CB 3.42Å; I306-K309 PolarHBondContact O-N 3.02Å; K309-S312 PolarHBondContact O-N 3.35Å; K309-A313 WeakPolarHBondContact O-CB 3.2Å; K309-A313 PolarHBondContact O-N 2.99Å
310F94.3Very high91Very high2 Ų249.9 Ų49.91%0.00926%0.261CS..Hα-helixtrans-62.3-47175.7-87.4-107.2000111.4V240 V241 I244 I306 T307 S312 A313 I314 I365 L390 V393 L397V240-F310 HydrophobicContact CB-CD1 4.41Å; V240-F310 HydrophobicContact CB-CD2 3.87Å; V240-F310 HydrophobicContact CB-CE1 4.24Å; V240-F310 HydrophobicContact CB-CE2 3.64Å; V240-F310 HydrophobicContact CB-CG 4.24Å; V240-F310 HydrophobicContact CB-CZ 3.86Å; V240-F310 HydrophobicContact CG2-CD1 3.71Å; V240-F310 HydrophobicContact CG2-CD2 4.08Å; V240-F310 HydrophobicContact CG2-CE1 3.56Å; V240-F310 HydrophobicContact CG2-CE2 3.93Å; V240-F310 HydrophobicContact CG2-CG 3.97Å; V240-F310 HydrophobicContact CG2-CZ 3.68Å; V240-F310 WeakPolarHBondContact O-CE2 3.13Å; V241-F310 HydrophobicContact CG2-CE1 4Å; V241-F310 HydrophobicContact CG2-CZ 4.06Å; I244-F310 HydrophobicContact CD1-CD2 4.43Å; I244-F310 HydrophobicContact CD1-CE2 3.35Å; I244-F310 HydrophobicContact CD1-CZ 3.6Å; I244-F310 HydrophobicContact CG1-CE2 4.07Å; I244-F310 HydrophobicContact CG1-CZ 4.45Å; I306-F310 HydrophobicContact CG2-CD2 4.2Å; I306-F310 HydrophobicContact CG2-CE2 4.16Å; I306-F310 WeakPolarHBondContact O-CD2 3.45Å; I306-F310 PolarHBondContact O-N 3.34Å; I306-F310 VanDerWaalsContact O-N 3.13Å; T307-F310 PolarHBondContact O-N 3.16Å; F310-S312 VanDerWaalsContact C-N 3.33Å; F310-S312 PolarHBondContact O-N 3.42Å; F310-A313 PolarHBondContact O-N 2.74Å; F310-I314 VanDerWaalsContact O-CG1 3.3Å; F310-I314 WeakPolarHBondContact O-CG1 3.22Å; F310-I314 PolarHBondContact O-N 3.14Å; F310-I365 HydrophobicContact CD1-CD1 4.23Å; F310-I365 HydrophobicContact CD1-CG2 4.43Å; F310-I365 HydrophobicContact CE1-CG1 4.45Å; F310-I365 HydrophobicContact CE1-CG2 3.96Å; F310-L390 HydrophobicContact CZ-CD2 4.26Å; F310-V393 HydrophobicContact CB-CG1 4.34Å; F310-V393 HydrophobicContact CD1-CG1 4.17Å; F310-V393 HydrophobicContact CD2-CG1 3.94Å; F310-V393 HydrophobicContact CE1-CG1 4.49Å; F310-V393 HydrophobicContact CE2-CG1 4.3Å; F310-V393 HydrophobicContact CG-CG1 3.87Å; F310-L397 HydrophobicContact CB-CD1 3.83Å; F310-L397 HydrophobicContact CB-CD2 4.45Å; F310-L397 HydrophobicContact CD1-CD1 4.27Å; F310-L397 HydrophobicContact CG-CD1 4.36Å
311L93.7Very high91Very high0 Ų049.8 Ų49.80%026%0.26CS..Hα-helixtrans-58.3-47178179.458.3000111.2T307 D308 A313 I314 I315 L397 S423 K426 F427T307-L311 WeakPolarHBondContact O-CB 3.32Å; T307-L311 PolarHBondContact O-N 2.91Å; D308-L311 PolarHBondContact O-N 2.75Å; L311-A313 PolarHBondContact O-N 3.06Å; L311-I314 PolarHBondContact O-N 3.32Å; L311-I315 HydrophobicContact CD1-CD1 3.72Å; L311-I315 HydrophobicContact CD1-CG1 4.19Å; L311-I315 HydrophobicContact CD2-CD1 4.48Å; L311-I315 HydrophobicContact CG-CD1 3.67Å; L311-I315 WeakPolarHBondContact O-CD1 3.39Å; L311-I315 VanDerWaalsContact O-CG1 3.26Å; L311-I315 WeakPolarHBondContact O-CG1 3.47Å; L311-I315 PolarHBondContact O-N 3.48Å; L311-L397 HydrophobicContact CB-CD2 4.07Å; L311-S423 WeakPolarHBondContact CD2-OG 3.47Å; L311-K426 HydrophobicContact CD2-CD 4.12Å; L311-F427 HydrophobicContact CD1-CD1 4.27Å; L311-F427 HydrophobicContact CD1-CD2 3.68Å; L311-F427 HydrophobicContact CD1-CE1 3.97Å; L311-F427 HydrophobicContact CD1-CE2 3.35Å; L311-F427 HydrophobicContact CD1-CG 4.13Å; L311-F427 HydrophobicContact CD1-CZ 3.51Å
312S93.7Very high91Very high49 Ų4943.8 Ų43.834%0.34324%0.238SC..Hα-helixtrans-63-41.2178.4-60.40000112.1D308 K309 F310 I314 I315 V316D308-S312 VanDerWaalsContact O-CB 3.27Å; D308-S312 WeakPolarHBondContact O-CB 3.4Å; D308-S312 PolarHBondContact O-N 3.46Å; D308-S312 PolarHBondContact O-OG 2.9Å; K309-S312 PolarHBondContact O-N 3.35Å; F310-S312 VanDerWaalsContact C-N 3.33Å; F310-S312 PolarHBondContact O-N 3.42Å; S312-I314 VanDerWaalsContact C-N 3.33Å; S312-I314 PolarHBondContact O-N 2.75Å; S312-I315 PolarHBondContact O-N 3.11Å; S312-V316 WeakPolarHBondContact O-CG2 3.26Å; S312-V316 PolarHBondContact O-N 2.91Å
313A93.1Very high91Very high23 Ų2340.6 Ų40.619%0.1922%0.222CC..Hα-helixtrans-63.4-38.8176.600000112.5V240 K309 F310 L311 S317V240-A313 HydrophobicContact CG1-CB 3.81Å; K309-A313 WeakPolarHBondContact O-CB 3.2Å; K309-A313 PolarHBondContact O-N 2.99Å; F310-A313 PolarHBondContact O-N 2.74Å; L311-A313 PolarHBondContact O-N 3.06Å; A313-S317 VanDerWaalsContact O-CB 3.25Å; A313-S317 WeakPolarHBondContact O-CB 3.33Å; A313-S317 PolarHBondContact O-OG 3.49Å
314I91.4Very high91Very high9 Ų940.6 Ų40.65%0.04622%0.222CC..Hα-helixtrans-65.6-48175-67.9166.1000110.2I236 L237 F310 L311 S312 S317 Y357 M361 L397 F427I236-I314 HydrophobicContact CG2-CG1 4.29Å; L237-I314 HydrophobicContact CD2-CG1 4.29Å; F310-I314 VanDerWaalsContact O-CG1 3.3Å; F310-I314 WeakPolarHBondContact O-CG1 3.22Å; F310-I314 PolarHBondContact O-N 3.14Å; L311-I314 PolarHBondContact O-N 3.32Å; S312-I314 VanDerWaalsContact C-N 3.33Å; S312-I314 PolarHBondContact O-N 2.75Å; I314-S317 PolarHBondContact O-N 3.43Å; I314-Y357 HydrophobicContact CD1-CD2 4.34Å; I314-Y357 HydrophobicContact CD1-CE2 4.17Å; I314-M361 HydrophobicContact CD1-SD 4.33Å; I314-M361 HydrophobicContact CG1-SD 4.2Å; I314-M361 HydrophobicContact CG2-CE 4.36Å; I314-M361 HydrophobicContact CG2-SD 3.98Å; I314-L397 HydrophobicContact CD1-CD1 4.46Å; I314-F427 HydrophobicContact CG2-CE1 4.42Å
315I89.8Confident91Very high47 Ų4737.9 Ų37.924%0.24121%0.21CC..Hα-helixtrans-64.5-43.3-176.6-69163.8000111.7L311 S312 S317 V318 K426 E430L311-I315 HydrophobicContact CD1-CD1 3.72Å; L311-I315 HydrophobicContact CD1-CG1 4.19Å; L311-I315 HydrophobicContact CD2-CD1 4.48Å; L311-I315 HydrophobicContact CG-CD1 3.67Å; L311-I315 WeakPolarHBondContact O-CD1 3.39Å; L311-I315 VanDerWaalsContact O-CG1 3.26Å; L311-I315 WeakPolarHBondContact O-CG1 3.47Å; L311-I315 PolarHBondContact O-N 3.48Å; S312-I315 PolarHBondContact O-N 3.11Å; I315-S317 PolarHBondContact O-N 3.48Å; I315-S317 VanDerWaalsContact O-N 3.1Å; I315-V318 WeakPolarHBondContact O-CG2 3.46Å; I315-K426 HydrophobicContact CD1-CB 3.7Å; I315-K426 HydrophobicContact CD1-CD 4.18Å; I315-E430 VanDerWaalsContact C-OE1 3.26Å; I315-E430 WeakPolarHBondContact CA-OE1 3.45Å; I315-E430 WeakPolarHBondContact CG2-OE1 3.26Å
316V90.4Very high91.1Very high122 Ų12236.1 Ų36.174%0.73919%0.194SC*.THydrogen-bonded Turntrans-71.6-10.2-178.9177.50000112.2S312S312-V316 WeakPolarHBondContact O-CG2 3.26Å; S312-V316 PolarHBondContact O-N 2.91Å
317S88.8Confident91.2Very high8 Ų835.7 Ų35.76%0.05619%0.191CC..THydrogen-bonded Turntrans-112.520.8-169.6-57.30000115.3A313 I314 I315 D319 K320 I321A313-S317 VanDerWaalsContact O-CB 3.25Å; A313-S317 WeakPolarHBondContact O-CB 3.33Å; A313-S317 PolarHBondContact O-OG 3.49Å; I314-S317 PolarHBondContact O-N 3.43Å; I315-S317 PolarHBondContact O-N 3.48Å; I315-S317 VanDerWaalsContact O-N 3.1Å; S317-D319 PolarHBondContact O-N 3.2Å; S317-K320 WeakPolarHBondContact O-CA 3.46Å; S317-K320 WeakPolarHBondContact O-CB 3.49Å; S317-K320 PolarHBondContact O-N 3.28Å; S317-K320 PolarHBondContact OG-NZ 3.47Å; S317-I321 PolarHBondContact O-N 3.37Å
318V86.8Confident91.2Very high12 Ų1235.7 Ų35.77%0.07319%0.191CC..G310 helixtrans-48.9-44.8177.1-154.90000113I315 K320 I321 E430 A434I315-V318 WeakPolarHBondContact O-CG2 3.46Å; V318-K320 PolarHBondContact O-N 2.73Å; V318-I321 VanDerWaalsContact O-CB 3.28Å; V318-I321 WeakPolarHBondContact O-CB 3.29Å; V318-I321 WeakPolarHBondContact O-CG1 3.45Å; V318-I321 PolarHBondContact O-N 3.16Å; V318-E430 VanDerWaalsContact CG1-OE2 3.32Å; V318-E430 WeakPolarHBondContact CG1-OE2 3.47Å; V318-E430 HydrophobicContact CG2-CG 4.4Å; V318-E430 WeakPolarHBondContact CG2-OE1 3.29Å; V318-E430 WeakPolarHBondContact CG2-OE2 3.42Å; V318-A434 HydrophobicContact CG1-CB 3.98Å
319D85.8Confident91.2Very high137 Ų13733.3 Ų33.373%0.73318%0.178SC*.G310 helixtrans-73.9-14.4-176.3-62.8-41.4000112.9S317 R326S317-D319 PolarHBondContact O-N 3.2Å; D319-R326 IonicContact OD1-NH1 2.75Å; D319-R326 PolarHBondContact OD1-NH1 2.84Å
320K88.3Confident91.3Very high92 Ų9232 Ų3240%0.417%0.173SC..G310 helixtrans-81.8-18.5170.9-55-174.7-171.3156.60112A232 Q235 I236 S317 V318A232-K320 VanDerWaalsContact CB-O 3.31Å; A232-K320 WeakPolarHBondContact CB-O 3.24Å; Q235-K320 HydrophobicContact CB-CD 4.19Å; I236-K320 HydrophobicContact CD1-CB 4.28Å; I236-K320 HydrophobicContact CG1-CB 4.15Å; I236-K320 HydrophobicContact CG1-CD 4.35Å; S317-K320 WeakPolarHBondContact O-CA 3.46Å; S317-K320 WeakPolarHBondContact O-CB 3.49Å; S317-K320 PolarHBondContact O-N 3.28Å; S317-K320 PolarHBondContact OG-NZ 3.47Å; V318-K320 PolarHBondContact O-N 2.73Å
321I89.1Confident91.3Very high11 Ų1132.2 Ų32.26%0.05617%0.174CC..SBendtrans-63.6127.7173.4-57.4175.9000107.7I236 S317 V318 Y323 M325 R326 M361I236-I321 HydrophobicContact CD1-CG1 4.29Å; S317-I321 PolarHBondContact O-N 3.37Å; V318-I321 VanDerWaalsContact O-CB 3.28Å; V318-I321 WeakPolarHBondContact O-CB 3.29Å; V318-I321 WeakPolarHBondContact O-CG1 3.45Å; V318-I321 PolarHBondContact O-N 3.16Å; I321-Y323 PolarHBondContact O-N 3.48Å; I321-M325 HydrophobicContact CG2-CB 3.99Å; I321-M325 HydrophobicContact CG2-CG 4.06Å; I321-R326 HydrophobicContact CB-CG 4.07Å; I321-R326 HydrophobicContact CG2-CG 3.84Å; I321-M361 HydrophobicContact CD1-CE 3.79Å; I321-M361 HydrophobicContact CG1-CE 4.05Å
322P89.6Confident91.4Very high31 Ų3132.2 Ų32.220%0.20117%0.174CC..  trans-54.4138.7-178.3-27.235.1000112.1A232 G324 M325 R326A232-P322 HydrophobicContact CB-CG 3.9Å; P322-G324 PolarHBondContact O-N 2.99Å; P322-G324 VanDerWaalsContact O-N 3.16Å; P322-M325 WeakPolarHBondContact O-CB 3.27Å; P322-M325 PolarHBondContact O-N 3.15Å; P322-R326 PolarHBondContact O-N 3.03Å
323Y89.8Confident91.4Very high32 Ų3231.6 Ų31.613%0.12517%0.165CC..Hα-helixtrans-50.9-42.5179.2168.4-93.6000112.1L188 I321 M325 R326 F327 V437 P438 S439 L440 K443 F444L188-Y323 HydrophobicContact CD1-CD1 4.04Å; L188-Y323 HydrophobicContact CD1-CE1 3.97Å; I321-Y323 PolarHBondContact O-N 3.48Å; Y323-M325 VanDerWaalsContact C-N 3.3Å; Y323-M325 PolarHBondContact O-N 3.44Å; Y323-R326 PolarHBondContact O-N 2.97Å; Y323-F327 HydrophobicContact CD1-CB 4.47Å; Y323-F327 HydrophobicContact CE1-CB 3.99Å; Y323-F327 HydrophobicContact CE1-CG 4.3Å; Y323-F327 HydrophobicContact CE2-CB 4.42Å; Y323-F327 VanDerWaalsContact O-CB 3.24Å; Y323-F327 WeakPolarHBondContact O-CB 3.38Å; Y323-F327 PolarHBondContact O-N 2.87Å; Y323-V437 HydrophobicContact CD2-CB 4.39Å; Y323-V437 HydrophobicContact CE2-CB 4.06Å; Y323-V437 HydrophobicContact CE2-CG2 4.38Å; Y323-P438 PolarHBondContact OH-O 2.95Å; Y323-S439 PolarHBondContact OH-O 3.41Å; Y323-S439 VanDerWaalsContact OH-O 3.13Å; Y323-L440 HydrophobicContact CE1-CD2 3.9Å; Y323-K443 HydrophobicContact CD1-CG 3.9Å; Y323-K443 HydrophobicContact CD2-CD 3.86Å; Y323-K443 HydrophobicContact CD2-CG 3.91Å; Y323-K443 HydrophobicContact CE1-CB 4.07Å; Y323-K443 HydrophobicContact CE1-CG 3.7Å; Y323-K443 HydrophobicContact CE2-CB 3.84Å; Y323-K443 HydrophobicContact CE2-CD 3.96Å; Y323-K443 HydrophobicContact CE2-CG 3.69Å; Y323-K443 HydrophobicContact CG-CD 4.17Å; Y323-K443 HydrophobicContact CG-CG 4Å; Y323-F444 HydrophobicContact CD1-CE2 4.2Å; Y323-F444 AromaticContact CE1-CE2 3.76Å; Y323-F444 HydrophobicContact CE1-CE2 3.76Å; Y323-F444 HydrophobicContact CE1-CZ 4.49Å
324G90.1Very high91.4Very high1 Ų134.5 Ų34.51%0.0118%0.178CC..Hα-helixtrans-57.4-39.8178.200000113.6L188 H224 P322 I328L188-G324 VanDerWaalsContact CD2-CA 3.46Å; H224-G324 WeakPolarHBondContact NE2-CA 3.29Å; P322-G324 PolarHBondContact O-N 2.99Å; P322-G324 VanDerWaalsContact O-N 3.16Å; G324-I328 VanDerWaalsContact O-CG1 3.27Å; G324-I328 WeakPolarHBondContact O-CG1 3.39Å; G324-I328 PolarHBondContact O-N 3.26Å
325M91.8Very high91.5Very high0 Ų034.1 Ų34.10%018%0.176CC..Hα-helixtrans-70.7-41.8178-174.359.263.800112.1V220 V221 H224 I321 P322 Y323 S329 L355 L356 Y360V220-M325 HydrophobicContact CG1-CE 3.89Å; V220-M325 HydrophobicContact CG1-SD 4.24Å; V221-M325 HydrophobicContact CG2-CE 4.43Å; H224-M325 HydrophobicContact CB-CE 3.58Å; H224-M325 PolarHBondContact NE2-N 3.49Å; I321-M325 HydrophobicContact CG2-CB 3.99Å; I321-M325 HydrophobicContact CG2-CG 4.06Å; P322-M325 WeakPolarHBondContact O-CB 3.27Å; P322-M325 PolarHBondContact O-N 3.15Å; Y323-M325 VanDerWaalsContact C-N 3.3Å; Y323-M325 PolarHBondContact O-N 3.44Å; M325-S329 WeakPolarHBondContact O-CB 3.25Å; M325-S329 PolarHBondContact O-N 3.09Å; M325-S329 PolarHBondContact O-OG 2.97Å; M325-L355 HydrophobicContact SD-CD1 4.33Å; M325-L355 HydrophobicContact SD-CD2 4.43Å; M325-L355 HydrophobicContact SD-CG 4.26Å; M325-L356 HydrophobicContact CG-CD2 3.69Å; M325-L356 HydrophobicContact SD-CD2 4.41Å; M325-Y360 HydrophobicContact CE-CD2 3.88Å; M325-Y360 HydrophobicContact CE-CE2 4.16Å; M325-Y360 HydrophobicContact CE-CG 4.26Å
326R93.3Very high91.6Very high26 Ų2631.9 Ų31.910%0.09816%0.164CC..Hα-helixtrans-64.1-43.3174.6-72.7-177.168.1173.91.2111.8D319 I321 P322 Y323 S329 K330 S433 A434 D436 V437D319-R326 IonicContact OD1-NH1 2.75Å; D319-R326 PolarHBondContact OD1-NH1 2.84Å; I321-R326 HydrophobicContact CB-CG 4.07Å; I321-R326 HydrophobicContact CG2-CG 3.84Å; P322-R326 PolarHBondContact O-N 3.03Å; Y323-R326 PolarHBondContact O-N 2.97Å; R326-S329 WeakPolarHBondContact O-CB 3.21Å; R326-S329 PolarHBondContact O-N 2.94Å; R326-K330 PolarHBondContact O-N 2.94Å; R326-S433 PolarHBondContact NH2-O 3.17Å; R326-A434 VanDerWaalsContact CB-O 3.23Å; R326-A434 WeakPolarHBondContact CB-O 2.8Å; R326-A434 WeakPolarHBondContact CG-O 3.4Å; R326-A434 PolarHBondContact NE-O 2.89Å; R326-D436 PolarHBondContact NH2-O 2.91Å; R326-V437 HydrophobicContact CB-CG1 3.64Å; R326-V437 HydrophobicContact CG-CG1 4.44Å
327F94.2Very high91.8Very high11 Ų1129.7 Ų29.75%0.04815%0.146CC..Hα-helixtrans-62.3-45.5176.8174.8-103.6000112.1K192 Y323 S329 K330 V331 V437 L440K192-F327 HydrophobicContact CB-CE1 4.13Å; K192-F327 HydrophobicContact CB-CZ 4.44Å; K192-F327 HydrophobicContact CD-CZ 4.13Å; K192-F327 HydrophobicContact CG-CZ 4.46Å; Y323-F327 HydrophobicContact CD1-CB 4.47Å; Y323-F327 HydrophobicContact CE1-CB 3.99Å; Y323-F327 HydrophobicContact CE1-CG 4.3Å; Y323-F327 HydrophobicContact CE2-CB 4.42Å; Y323-F327 VanDerWaalsContact O-CB 3.24Å; Y323-F327 WeakPolarHBondContact O-CB 3.38Å; Y323-F327 PolarHBondContact O-N 2.87Å; F327-S329 VanDerWaalsContact C-N 3.27Å; F327-S329 PolarHBondContact O-N 3.32Å; F327-K330 WeakPolarHBondContact O-CB 3.25Å; F327-K330 PolarHBondContact O-N 3.27Å; F327-V331 HydrophobicContact CD1-CG2 4.36Å; F327-V331 HydrophobicContact CE1-CG2 3.85Å; F327-V331 HydrophobicContact CE2-CG2 4.04Å; F327-V331 HydrophobicContact CZ-CG2 3.66Å; F327-V331 WeakPolarHBondContact O-CG2 3.39Å; F327-V331 PolarHBondContact O-N 3.38Å; F327-V437 HydrophobicContact CB-CG2 4.3Å; F327-L440 HydrophobicContact CD1-CD2 3.88Å; F327-L440 HydrophobicContact CD1-CG 4.36Å; F327-L440 HydrophobicContact CD2-CD2 4.28Å; F327-L440 HydrophobicContact CD2-CG 4.38Å; F327-L440 HydrophobicContact CE1-CD1 3.72Å; F327-L440 HydrophobicContact CE1-CD2 3.71Å; F327-L440 HydrophobicContact CE1-CG 3.73Å; F327-L440 HydrophobicContact CE2-CD1 4.43Å; F327-L440 HydrophobicContact CE2-CD2 4.13Å; F327-L440 HydrophobicContact CE2-CG 3.76Å; F327-L440 HydrophobicContact CG-CD2 4.16Å; F327-L440 HydrophobicContact CZ-CD1 3.59Å; F327-L440 HydrophobicContact CZ-CD2 3.85Å; F327-L440 HydrophobicContact CZ-CG 3.4Å
328I94.6Very high92Very high1 Ų134.8 Ų34.81%0.00517%0.169CC..Hα-helixtrans-65.9-32.7175.5-66.5-58.8000111.8F191 L195 V220 G324 V331 L332 L355F191-I328 HydrophobicContact CB-CD1 3.57Å; F191-I328 HydrophobicContact CB-CG1 4.31Å; L195-I328 HydrophobicContact CD2-CG2 3.71Å; V220-I328 HydrophobicContact CG1-CB 4.22Å; V220-I328 HydrophobicContact CG1-CG1 4.13Å; V220-I328 HydrophobicContact CG1-CG2 4.07Å; V220-I328 HydrophobicContact CG2-CG1 4.32Å; V220-I328 HydrophobicContact CG2-CG2 4.28Å; G324-I328 VanDerWaalsContact O-CG1 3.27Å; G324-I328 WeakPolarHBondContact O-CG1 3.39Å; G324-I328 PolarHBondContact O-N 3.26Å; I328-V331 PolarHBondContact O-N 3.37Å; I328-L332 VanDerWaalsContact O-CB 3.29Å; I328-L332 WeakPolarHBondContact O-CB 3.36Å; I328-L332 PolarHBondContact O-N 3.14Å; I328-L355 HydrophobicContact CG2-CD2 4.36Å
329S94.4Very high92.2Very high0 Ų037.1 Ų37.10%018%0.178CC..Hα-helixtrans-64-40.7173.1-59.60000112.1M325 R326 F327 L332 K333 L356M325-S329 WeakPolarHBondContact O-CB 3.25Å; M325-S329 PolarHBondContact O-N 3.09Å; M325-S329 PolarHBondContact O-OG 2.97Å; R326-S329 WeakPolarHBondContact O-CB 3.21Å; R326-S329 PolarHBondContact O-N 2.94Å; F327-S329 VanDerWaalsContact C-N 3.27Å; F327-S329 PolarHBondContact O-N 3.32Å; S329-L332 PolarHBondContact O-N 2.92Å; S329-K333 PolarHBondContact O-N 3.19Å; S329-L356 VanDerWaalsContact OG-CD2 3.25Å; S329-L356 WeakPolarHBondContact OG-CD2 3.36Å; S329-L356 WeakPolarHBondContact OG-CG 3.49Å
330K94.9Very high92.5Very high58 Ų5832.4 Ų32.425%0.25215%0.151SC..Hα-helixtrans-60.1-51.8171-178.5-178.4-176.7174.20111.5R326 F327 L332 K333 D334 C435 V437R326-K330 PolarHBondContact O-N 2.94Å; F327-K330 WeakPolarHBondContact O-CB 3.25Å; F327-K330 PolarHBondContact O-N 3.27Å; K330-L332 VanDerWaalsContact C-N 3.28Å; K330-L332 PolarHBondContact O-N 3.12Å; K330-K333 PolarHBondContact O-N 2.97Å; K330-K333 VanDerWaalsContact O-N 3.15Å; K330-D334 WeakPolarHBondContact CG-OD2 3.43Å; K330-D334 VanDerWaalsContact O-CG 3.24Å; K330-D334 PolarHBondContact O-N 3.24Å; K330-C435 HydrophobicContact CB-CB 4.49Å; K330-C435 WeakPolarHBondContact CB-O 3.46Å; K330-V437 HydrophobicContact CB-CG2 4.24Å; K330-V437 HydrophobicContact CD-CG2 3.95Å; K330-V437 PolarHBondContact NZ-O 3.05Å
331V94.9Very high92.6Very high7 Ų732.1 Ų32.14%0.04216%0.159CC..Hα-helixtrans-58.9-41178.4174.20000111.3K192 L195 Q196 F327 I328 T335K192-V331 HydrophobicContact CB-CG2 4.48Å; K192-V331 HydrophobicContact CG-CG1 4Å; K192-V331 HydrophobicContact CG-CG2 3.98Å; L195-V331 HydrophobicContact CD2-CG1 4.17Å; Q196-V331 HydrophobicContact CG-CG1 4.02Å; F327-V331 HydrophobicContact CD1-CG2 4.36Å; F327-V331 HydrophobicContact CE1-CG2 3.85Å; F327-V331 HydrophobicContact CE2-CG2 4.04Å; F327-V331 HydrophobicContact CZ-CG2 3.66Å; F327-V331 WeakPolarHBondContact O-CG2 3.39Å; F327-V331 PolarHBondContact O-N 3.38Å; I328-V331 PolarHBondContact O-N 3.37Å; V331-T335 VanDerWaalsContact O-CB 3.26Å; V331-T335 WeakPolarHBondContact O-CB 3.36Å; V331-T335 PolarHBondContact O-N 2.8Å; V331-T335 PolarHBondContact O-OG1 3.03Å
332L94.1Very high92.6Very high0 Ų039.4 Ų39.40%020%0.198CC..Hα-helixtrans-60.5-48.6175.7-179.458.8000111.2L195 I199 I209 I217 I328 S329 K330 L336 I351 V352 L355L195-L332 HydrophobicContact CD1-CD1 4.43Å; L195-L332 HydrophobicContact CD2-CB 4.03Å; L195-L332 HydrophobicContact CD2-CD1 4.43Å; I199-L332 HydrophobicContact CD1-CD1 3.6Å; I199-L332 HydrophobicContact CG1-CD1 4.48Å; I209-L332 HydrophobicContact CD1-CD1 4.31Å; I217-L332 HydrophobicContact CD1-CD1 4.48Å; I217-L332 HydrophobicContact CD1-CD2 4.4Å; I328-L332 VanDerWaalsContact O-CB 3.29Å; I328-L332 WeakPolarHBondContact O-CB 3.36Å; I328-L332 PolarHBondContact O-N 3.14Å; S329-L332 PolarHBondContact O-N 2.92Å; K330-L332 VanDerWaalsContact C-N 3.28Å; K330-L332 PolarHBondContact O-N 3.12Å; L332-L336 HydrophobicContact CD1-CD1 3.67Å; L332-L336 HydrophobicContact CD1-CG 4.13Å; L332-L336 HydrophobicContact CG-CD1 3.95Å; L332-L336 WeakPolarHBondContact O-CB 3.31Å; L332-L336 WeakPolarHBondContact O-CD1 3.46Å; L332-L336 WeakPolarHBondContact O-CG 3.36Å; L332-L336 PolarHBondContact O-N 3.48Å; L332-L336 VanDerWaalsContact O-N 3.07Å; L332-I351 HydrophobicContact CD2-CG2 4.41Å; L332-V352 HydrophobicContact CD2-CG2 4.45Å; L332-V352 HydrophobicContact CG-CG2 4.46Å; L332-L355 HydrophobicContact CD2-CB 4.22Å; L332-L355 HydrophobicContact CD2-CD2 3.87Å
333K93.9Very high92.6Very high35 Ų3539.3 Ų39.315%0.15220%0.198CC..Hα-helixtrans-58.6-53.3177.1-171.9-172.8177.8-177.10111S329 K330 T335 L336 Q337 E345 V352S329-K333 PolarHBondContact O-N 3.19Å; K330-K333 PolarHBondContact O-N 2.97Å; K330-K333 VanDerWaalsContact O-N 3.15Å; K333-T335 PolarHBondContact O-N 3.11Å; K333-L336 PolarHBondContact O-N 3.48Å; K333-Q337 WeakPolarHBondContact O-CB 3.49Å; K333-Q337 PolarHBondContact O-N 3.47Å; K333-E345 IonicContact NZ-OE1 2.87Å; K333-E345 PolarHBondContact NZ-OE1 3.06Å; K333-V352 HydrophobicContact CB-CG2 4.03Å
334D93.8Very high92.6Very high84 Ų8441.3 Ų41.345%0.44921%0.214SC..Hα-helixtrans-63.6-43.9-174-64.7-13.8000111.3K330 Q337 E338K330-D334 WeakPolarHBondContact CG-OD2 3.43Å; K330-D334 VanDerWaalsContact O-CG 3.24Å; K330-D334 PolarHBondContact O-N 3.24Å; D334-Q337 PolarHBondContact O-N 3.28Å; D334-E338 PolarHBondContact O-N 3.38Å
335T93.7Very high92.5Very high2 Ų244.9 Ų44.91%0.01223%0.23CC..Hα-helixtrans-69.4-36.5-179.6-48.90000111.8Q196 I199 V331 K333 E338 K339Q196-T335 HydrophobicContact CB-CG2 4.48Å; Q196-T335 HydrophobicContact CG-CG2 4.25Å; I199-T335 HydrophobicContact CB-CG2 3.86Å; I199-T335 HydrophobicContact CD1-CG2 3.89Å; I199-T335 HydrophobicContact CG2-CG2 3.81Å; V331-T335 VanDerWaalsContact O-CB 3.26Å; V331-T335 WeakPolarHBondContact O-CB 3.36Å; V331-T335 PolarHBondContact O-N 2.8Å; V331-T335 PolarHBondContact O-OG1 3.03Å; K333-T335 PolarHBondContact O-N 3.11Å; T335-E338 PolarHBondContact O-N 3.01Å; T335-K339 PolarHBondContact O-N 2.66Å
336L92.4Very high92.2Very high0 Ų047 Ų470%024%0.242CC..Hα-helixtrans-69-38.8175.8-74.9171.9000112.1I199 M206 I209 L332 K333 E338 K339 F340 L348 I351I199-L336 HydrophobicContact CD1-CG 4.37Å; I199-L336 HydrophobicContact CG2-CD2 3.8Å; I199-L336 HydrophobicContact CG2-CG 4.44Å; M206-L336 HydrophobicContact CE-CB 4.32Å; I209-L336 HydrophobicContact CD1-CD1 3.98Å; I209-L336 HydrophobicContact CD1-CD2 3.53Å; I209-L336 HydrophobicContact CD1-CG 4.25Å; L332-L336 HydrophobicContact CD1-CD1 3.67Å; L332-L336 HydrophobicContact CD1-CG 4.13Å; L332-L336 HydrophobicContact CG-CD1 3.95Å; L332-L336 WeakPolarHBondContact O-CB 3.31Å; L332-L336 WeakPolarHBondContact O-CD1 3.46Å; L332-L336 WeakPolarHBondContact O-CG 3.36Å; L332-L336 PolarHBondContact O-N 3.48Å; L332-L336 VanDerWaalsContact O-N 3.07Å; K333-L336 PolarHBondContact O-N 3.48Å; L336-E338 VanDerWaalsContact C-N 3.3Å; L336-E338 PolarHBondContact O-N 3.22Å; L336-K339 PolarHBondContact O-N 3.23Å; L336-F340 HydrophobicContact CD2-CD2 4.11Å; L336-F340 HydrophobicContact CD2-CE2 4.03Å; L336-F340 PolarHBondContact O-N 3.13Å; L336-L348 HydrophobicContact CB-CD2 3.4Å; L336-L348 HydrophobicContact CD1-CD2 4.32Å; L336-L348 HydrophobicContact CG-CD2 4.48Å; L336-I351 HydrophobicContact CD1-CB 4.21Å; L336-I351 HydrophobicContact CD1-CG2 3.74Å
337Q93.1Very high92Very high75 Ų7550.2 Ų50.235%0.3526%0.258SS..Hα-helixtrans-63.8-36.5174-176.864.873.200111.9K333 D334 F340 P341 L348K333-Q337 WeakPolarHBondContact O-CB 3.49Å; K333-Q337 PolarHBondContact O-N 3.47Å; D334-Q337 PolarHBondContact O-N 3.28Å; Q337-F340 CarbonylContact O-C 3.6Å; Q337-P341 PolarHBondContact NE2-O 2.86Å; Q337-L348 HydrophobicContact CB-CD1 3.98Å; Q337-L348 HydrophobicContact CG-CD1 4.42Å
338E93Very high91.8Very high115 Ų11549.7 Ų49.754%0.53726%0.255SS..Hα-helixtrans-67.2-43.7175.3-171.6-170.6156.700111.6K200 D334 T335 L336K200-E338 IonicContact NZ-OE1 2.67Å; K200-E338 PolarHBondContact NZ-OE1 3.06Å; K200-E338 IonicContact NZ-OE2 3.3Å; D334-E338 PolarHBondContact O-N 3.38Å; T335-E338 PolarHBondContact O-N 3.01Å; L336-E338 VanDerWaalsContact C-N 3.3Å; L336-E338 PolarHBondContact O-N 3.22Å
339K91.3Very high91.6Very high61 Ų6149.9 Ų49.927%0.26526%0.256SS..Hα-helixtrans-76.3-33.5-178.6-175.5166.8-178.3168.20113.4I199 K200 V203 T335 L336I199-K339 HydrophobicContact CG2-CB 4.41Å; I199-K339 HydrophobicContact CG2-CD 4.02Å; I199-K339 WeakPolarHBondContact O-CD 3.25Å; I199-K339 WeakPolarHBondContact O-CE 3.39Å; I199-K339 PolarHBondContact O-NZ 3.09Å; K200-K339 PolarHBondContact O-NZ 3.49Å; V203-K339 WeakPolarHBondContact O-CE 3.37Å; V203-K339 PolarHBondContact O-NZ 2.61Å; T335-K339 PolarHBondContact O-N 2.66Å; L336-K339 PolarHBondContact O-N 3.23Å
340F92.1Very high91.4Very high39 Ų3953 Ų5317%0.17127%0.27CS..  trans-12775.9-177.6-56.7-77000110.5V203 D204 M206 L336 Q337 D342 S343V203-F340 HydrophobicContact CG1-CE2 4.32Å; V203-F340 HydrophobicContact CG1-CZ 4.38Å; D204-F340 WeakPolarHBondContact O-CE1 3.15Å; D204-F340 WeakPolarHBondContact O-CZ 3.5Å; M206-F340 HydrophobicContact CE-CB 3.5Å; M206-F340 VanDerWaalsContact CE-CB 3.5Å; M206-F340 HydrophobicContact CE-CD2 3.69Å; M206-F340 HydrophobicContact CE-CG 3.85Å; M206-F340 HydrophobicContact CG-CD2 3.85Å; M206-F340 HydrophobicContact CG-CE2 4.05Å; M206-F340 HydrophobicContact CG-CG 4.3Å; L336-F340 HydrophobicContact CD2-CD2 4.11Å; L336-F340 HydrophobicContact CD2-CE2 4.03Å; L336-F340 PolarHBondContact O-N 3.13Å; Q337-F340 CarbonylContact O-C 3.6Å; F340-D342 PolarHBondContact O-N 3.4Å; F340-S343 WeakPolarHBondContact CB-OG 3.42Å; F340-S343 WeakPolarHBondContact O-CB 3.45Å; F340-S343 PolarHBondContact O-N 2.89Å
341P90Very high91.2Very high86 Ų8650.9 Ų50.956%0.55826%0.261SS*.THydrogen-bonded Turntrans-61.6-29.3-175.4-24.235.2000114Q337 S343Q337-P341 PolarHBondContact NE2-O 2.86Å; P341-S343 VanDerWaalsContact C-N 3.27Å; P341-S343 PolarHBondContact O-N 3.2Å
342D89.6Confident91.1Very high164 Ų16450.6 Ų50.688%0.87726%0.259SS*.THydrogen-bonded Turntrans-78.3-9-177.2-59.2-38.5000113.7F340F340-D342 PolarHBondContact O-N 3.4Å
343S89.8Confident90.9Very high28 Ų2850.7 Ų50.720%0.19626%0.26CS..SBendtrans-74.3143.2-178.5-660000112.2M206 F340 P341M206-S343 WeakPolarHBondContact CE-OG 3.17Å; F340-S343 WeakPolarHBondContact CB-OG 3.42Å; F340-S343 WeakPolarHBondContact O-CB 3.45Å; F340-S343 PolarHBondContact O-N 2.89Å; P341-S343 VanDerWaalsContact C-N 3.27Å; P341-S343 PolarHBondContact O-N 3.2Å
344T89.5Confident90.8Very high75 Ų7549.8 Ų49.846%0.4626%0.257SS..  trans-74151.1179.561.80000111.1D346 E347 L348T344-D346 PolarHBondContact O-N 2.98Å; T344-E347 PolarHBondContact N-OE2 3.41Å; T344-E347 VanDerWaalsContact N-OE2 3.1Å; T344-E347 PolarHBondContact O-N 3.43Å; T344-E347 VanDerWaalsContact O-N 3.11Å; T344-E347 VanDerWaalsContact OG1-CG 3.24Å; T344-E347 WeakPolarHBondContact OG1-CG 3.24Å; T344-E347 PolarHBondContact OG1-N 3.38Å; T344-E347 PolarHBondContact OG1-OE2 3.47Å; T344-E347 VanDerWaalsContact OG1-OE2 3.07Å; T344-L348 PolarHBondContact O-N 2.85Å; T344-L348 VanDerWaalsContact O-N 3.16Å
345E87.6Confident90.7Very high75 Ų7545.9 Ų45.935%0.3524%0.236SC..Hα-helixtrans-58.3-32.9175.2-169.2-178.1-149.600111.6K333 L348 L349 R428 L432K333-E345 IonicContact NZ-OE1 2.87Å; K333-E345 PolarHBondContact NZ-OE1 3.06Å; E345-L348 PolarHBondContact O-N 3.14Å; E345-L349 HydrophobicContact CG-CD1 3.96Å; E345-L349 HydrophobicContact CG-CG 4.17Å; E345-L349 WeakPolarHBondContact O-CB 3.25Å; E345-L349 WeakPolarHBondContact O-CG 3.42Å; E345-L349 PolarHBondContact O-N 3.48Å; E345-R428 IonicContact OE2-NH2 3.52Å; E345-R428 PolarHBondContact OE2-NH2 3.22Å; E345-R428 VanDerWaalsContact OE2-NH2 3.09Å; E345-L432 WeakPolarHBondContact OE1-CD1 3.45Å
346D86.8Confident90.6Very high46 Ų4646.1 Ų46.125%0.24624%0.237CC..Hα-helixtrans-63.7-41.7177.2-168.769.9000112.6T344 L349 K350 H424T344-D346 PolarHBondContact O-N 2.98Å; D346-L349 PolarHBondContact O-N 2.88Å; D346-K350 WeakPolarHBondContact O-CG 3.29Å; D346-K350 PolarHBondContact O-N 2.99Å; D346-K350 WeakPolarHBondContact OD2-CE 3.39Å; D346-K350 IonicContact OD2-NZ 3.16Å; D346-K350 PolarHBondContact OD2-NZ 3.16Å; D346-H424 IonicContact OD1-NE2 3.62Å
347E88.6Confident90.6Very high93 Ų9346.4 Ų46.444%0.43524%0.238SC..Hα-helixtrans-64.4-44.1175.2-74168.1149.500111.5T344 L349 K350 I351T344-E347 PolarHBondContact N-OE2 3.41Å; T344-E347 VanDerWaalsContact N-OE2 3.1Å; T344-E347 PolarHBondContact O-N 3.43Å; T344-E347 VanDerWaalsContact O-N 3.11Å; T344-E347 VanDerWaalsContact OG1-CG 3.24Å; T344-E347 WeakPolarHBondContact OG1-CG 3.24Å; T344-E347 PolarHBondContact OG1-N 3.38Å; T344-E347 PolarHBondContact OG1-OE2 3.47Å; T344-E347 VanDerWaalsContact OG1-OE2 3.07Å; E347-L349 PolarHBondContact O-N 2.97Å; E347-K350 WeakPolarHBondContact O-CB 3.44Å; E347-K350 PolarHBondContact O-N 3.46Å; E347-I351 WeakPolarHBondContact O-CG1 3.29Å; E347-I351 PolarHBondContact O-N 3.48Å
348L90.3Very high90.5Very high0 Ų047.3 Ų47.30%024%0.239CC..Hα-helixtrans-60.2-46.8175.8-70.8173.2000111.9M206 L336 Q337 T344 E345 K350 I351 V352M206-L348 HydrophobicContact CE-CD2 3.3Å; M206-L348 HydrophobicContact CE-CG 4.13Å; M206-L348 HydrophobicContact SD-CD2 4.1Å; L336-L348 HydrophobicContact CB-CD2 3.4Å; L336-L348 HydrophobicContact CD1-CD2 4.32Å; L336-L348 HydrophobicContact CG-CD2 4.48Å; Q337-L348 HydrophobicContact CB-CD1 3.98Å; Q337-L348 HydrophobicContact CG-CD1 4.42Å; T344-L348 PolarHBondContact O-N 2.85Å; T344-L348 VanDerWaalsContact O-N 3.16Å; E345-L348 PolarHBondContact O-N 3.14Å; L348-K350 VanDerWaalsContact C-N 3.28Å; L348-K350 PolarHBondContact O-N 3.48Å; L348-I351 WeakPolarHBondContact O-CB 3.44Å; L348-I351 PolarHBondContact O-N 3.22Å; L348-I351 VanDerWaalsContact O-N 3.09Å; L348-V352 WeakPolarHBondContact O-CG2 3.38Å; L348-V352 PolarHBondContact O-N 2.98Å
349L90.5Very high90.3Very high4 Ų443.8 Ų43.82%0.02122%0.221CC..Hα-helixtrans-64.7-32179.6-69.4174.6000112.1E345 D346 E347 V352 G353 R428 I431 L432E345-L349 HydrophobicContact CG-CD1 3.96Å; E345-L349 HydrophobicContact CG-CG 4.17Å; E345-L349 WeakPolarHBondContact O-CB 3.25Å; E345-L349 WeakPolarHBondContact O-CG 3.42Å; E345-L349 PolarHBondContact O-N 3.48Å; D346-L349 PolarHBondContact O-N 2.88Å; E347-L349 PolarHBondContact O-N 2.97Å; L349-V352 PolarHBondContact O-N 2.95Å; L349-G353 PolarHBondContact O-N 3.39Å; L349-R428 HydrophobicContact CD1-CG 3.54Å; L349-I431 HydrophobicContact CD2-CB 4.39Å; L349-I431 HydrophobicContact CD2-CG2 3.79Å; L349-L432 HydrophobicContact CD1-CD1 4.48Å; L349-L432 HydrophobicContact CD2-CD1 4.27Å
350K89.8Confident90.3Very high66 Ų6640.9 Ų40.929%0.28721%0.208SC..Hα-helixtrans-63.2-39.9171.3-76.6163.3172.7157.40112.3D346 E347 L348 G353 N354D346-K350 WeakPolarHBondContact O-CG 3.29Å; D346-K350 PolarHBondContact O-N 2.99Å; D346-K350 WeakPolarHBondContact OD2-CE 3.39Å; D346-K350 IonicContact OD2-NZ 3.16Å; D346-K350 PolarHBondContact OD2-NZ 3.16Å; E347-K350 WeakPolarHBondContact O-CB 3.44Å; E347-K350 PolarHBondContact O-N 3.46Å; L348-K350 VanDerWaalsContact C-N 3.28Å; L348-K350 PolarHBondContact O-N 3.48Å; K350-G353 PolarHBondContact O-N 2.71Å; K350-N354 PolarHBondContact O-N 2.87Å
351I90.8Very high90.2Very high14 Ų1439.2 Ų39.27%0.07220%0.201CC..Hα-helixtrans-66.5-43.8176.3-56-60.8000111M206 I209 V210 L332 L336 E347 L348 N354 L355M206-I351 HydrophobicContact CB-CD1 4.44Å; M206-I351 WeakPolarHBondContact O-CD1 3.08Å; I209-I351 HydrophobicContact CB-CG2 4.11Å; I209-I351 HydrophobicContact CD1-CG2 4.3Å; I209-I351 HydrophobicContact CG2-CG2 3.66Å; V210-I351 HydrophobicContact CG2-CD1 3.38Å; L332-I351 HydrophobicContact CD2-CG2 4.41Å; L336-I351 HydrophobicContact CD1-CB 4.21Å; L336-I351 HydrophobicContact CD1-CG2 3.74Å; E347-I351 WeakPolarHBondContact O-CG1 3.29Å; E347-I351 PolarHBondContact O-N 3.48Å; L348-I351 WeakPolarHBondContact O-CB 3.44Å; L348-I351 PolarHBondContact O-N 3.22Å; L348-I351 VanDerWaalsContact O-N 3.09Å; I351-N354 VanDerWaalsContact O-CB 3.31Å; I351-N354 WeakPolarHBondContact O-CB 3.5Å; I351-N354 PolarHBondContact O-N 3.28Å; I351-L355 PolarHBondContact O-N 2.88Å
352V92.1Very high90.4Very high0 Ų035.8 Ų35.80%018%0.178CC..Hα-helixtrans-67-39.2176.8-1780000111.2L332 K333 L348 L349 N354 L355 L356 I431L332-V352 HydrophobicContact CD2-CG2 4.45Å; L332-V352 HydrophobicContact CG-CG2 4.46Å; K333-V352 HydrophobicContact CB-CG2 4.03Å; L348-V352 WeakPolarHBondContact O-CG2 3.38Å; L348-V352 PolarHBondContact O-N 2.98Å; L349-V352 PolarHBondContact O-N 2.95Å; V352-N354 VanDerWaalsContact C-N 3.26Å; V352-N354 PolarHBondContact O-N 3.14Å; V352-L355 WeakPolarHBondContact O-CB 3.38Å; V352-L355 PolarHBondContact O-N 3.42Å; V352-L356 HydrophobicContact CG1-CD1 4.11Å; V352-L356 HydrophobicContact CG1-CG 4.45Å; V352-L356 PolarHBondContact O-N 3.34Å; V352-I431 HydrophobicContact CB-CG2 3.8Å; V352-I431 HydrophobicContact CG1-CG2 3.61Å
353G91.3Very high90.4Very high2 Ų229.7 Ų29.72%0.02115%0.148CC..Hα-helixtrans-60-36.1172.200000112.5L349 K350 L355 Y357 I431L349-G353 PolarHBondContact O-N 3.39Å; K350-G353 PolarHBondContact O-N 2.71Å; G353-L355 VanDerWaalsContact C-N 3.33Å; G353-L355 PolarHBondContact O-N 2.68Å; G353-Y357 WeakPolarHBondContact O-CA 3.24Å; G353-Y357 VanDerWaalsContact O-CB 3.3Å; G353-Y357 WeakPolarHBondContact O-CB 3.42Å; G353-Y357 PolarHBondContact O-N 2.82Å; G353-I431 VanDerWaalsContact CA-CD1 3.43Å
354N91.1Very high90.4Very high16 Ų1628.4 Ų28.49%0.08614%0.138CC..Iπ-helixtrans-62.4-38172.2-178.763.9000112.3V210 K350 I351 V352 Y358 R359V210-N354 HydrophobicContact CG2-CB 4.25Å; K350-N354 PolarHBondContact O-N 2.87Å; I351-N354 VanDerWaalsContact O-CB 3.31Å; I351-N354 WeakPolarHBondContact O-CB 3.5Å; I351-N354 PolarHBondContact O-N 3.28Å; V352-N354 VanDerWaalsContact C-N 3.26Å; V352-N354 PolarHBondContact O-N 3.14Å; N354-Y358 CarbonylContact O-C 3.36Å; N354-Y358 WeakPolarHBondContact O-CB 3.46Å; N354-Y358 PolarHBondContact O-N 3.4Å; N354-Y358 WeakPolarHBondContact OD1-CB 3.47Å; N354-Y358 WeakPolarHBondContact OD1-CD1 3.39Å; N354-R359 PolarHBondContact O-N 2.67Å
355L91.2Very high90.5Very high2 Ų224.8 Ų24.81%0.0112%0.116CC..Iπ-helixtrans-66.3-57.3173.7173.363.5000111.5I217 V221 M325 I328 L332 I351 V352 G353 Y360I217-L355 HydrophobicContact CG2-CD1 3.8Å; V221-L355 HydrophobicContact CG2-CD1 3.73Å; M325-L355 HydrophobicContact SD-CD1 4.33Å; M325-L355 HydrophobicContact SD-CD2 4.43Å; M325-L355 HydrophobicContact SD-CG 4.26Å; I328-L355 HydrophobicContact CG2-CD2 4.36Å; L332-L355 HydrophobicContact CD2-CB 4.22Å; L332-L355 HydrophobicContact CD2-CD2 3.87Å; I351-L355 PolarHBondContact O-N 2.88Å; V352-L355 WeakPolarHBondContact O-CB 3.38Å; V352-L355 PolarHBondContact O-N 3.42Å; G353-L355 VanDerWaalsContact C-N 3.33Å; G353-L355 PolarHBondContact O-N 2.68Å; L355-Y360 WeakPolarHBondContact O-CB 3.29Å; L355-Y360 PolarHBondContact O-N 2.91Å; L355-Y360 VanDerWaalsContact O-N 3.08Å
356L91.5Very high90.7Very high8 Ų823.8 Ų23.84%0.04212%0.115CC..Iπ-helixtrans-69.4-43.5-171.6-72.4176.9000113.1M325 S329 V352 Y360 M361 I431 A434M325-L356 HydrophobicContact CG-CD2 3.69Å; M325-L356 HydrophobicContact SD-CD2 4.41Å; S329-L356 VanDerWaalsContact OG-CD2 3.25Å; S329-L356 WeakPolarHBondContact OG-CD2 3.36Å; S329-L356 WeakPolarHBondContact OG-CG 3.49Å; V352-L356 HydrophobicContact CG1-CD1 4.11Å; V352-L356 HydrophobicContact CG1-CG 4.45Å; V352-L356 PolarHBondContact O-N 3.34Å; L356-Y360 WeakPolarHBondContact O-CB 3.4Å; L356-M361 WeakPolarHBondContact O-CG 3.41Å; L356-M361 PolarHBondContact O-N 3.46Å; L356-I431 HydrophobicContact CD1-CG2 4.48Å; L356-A434 HydrophobicContact CD1-CB 3.77Å
357Y91.9Very high90.7Very high6 Ų622.8 Ų22.82%0.02411%0.113CC..Iπ-helixtrans-93.1-64.8-178.6177.8-97.1000111.3I314 G353 M361 N362 I365 A394 L397 Q398 A401 F427I314-Y357 HydrophobicContact CD1-CD2 4.34Å; I314-Y357 HydrophobicContact CD1-CE2 4.17Å; G353-Y357 WeakPolarHBondContact O-CA 3.24Å; G353-Y357 VanDerWaalsContact O-CB 3.3Å; G353-Y357 WeakPolarHBondContact O-CB 3.42Å; G353-Y357 PolarHBondContact O-N 2.82Å; Y357-M361 HydrophobicContact CD2-CB 4.35Å; Y357-M361 CarbonylContact O-C 3.54Å; Y357-M361 WeakPolarHBondContact O-CA 3.48Å; Y357-M361 PolarHBondContact O-N 3.11Å; Y357-N362 HydrophobicContact CE1-CB 3.98Å; Y357-N362 WeakPolarHBondContact O-CB 3.2Å; Y357-N362 PolarHBondContact O-N 2.67Å; Y357-N362 PolarHBondContact OH-OD1 2.7Å; Y357-I365 HydrophobicContact CE2-CD1 4.13Å; Y357-A394 PolarHBondContact OH-O 2.96Å; Y357-L397 HydrophobicContact CE1-CB 4.1Å; Y357-L397 HydrophobicContact CE2-CB 3.79Å; Y357-L397 HydrophobicContact CE2-CD1 4.11Å; Y357-L397 WeakPolarHBondContact OH-CB 3.21Å; Y357-Q398 HydrophobicContact CE1-CB 4.03Å; Y357-A401 HydrophobicContact CD1-CB 3.69Å; Y357-A401 HydrophobicContact CE1-CB 4.41Å; Y357-A401 HydrophobicContact CG-CB 4.13Å; Y357-F427 HydrophobicContact CD2-CE1 4.19Å; Y357-F427 HydrophobicContact CD2-CZ 4.14Å; Y357-F427 HydrophobicContact CE2-CZ 4.44Å; Y357-F427 HydrophobicContact CG-CE1 4.46Å
358Y91.1Very high90.6Very high93 Ų9318.4 Ų18.437%0.3659%0.093SC..Iπ-helixtrans-69.5-43.2-168.4-179.7-102.9000113.5N354 N362 P363 Q398N354-Y358 CarbonylContact O-C 3.36Å; N354-Y358 WeakPolarHBondContact O-CB 3.46Å; N354-Y358 PolarHBondContact O-N 3.4Å; N354-Y358 WeakPolarHBondContact OD1-CB 3.47Å; N354-Y358 WeakPolarHBondContact OD1-CD1 3.39Å; Y358-N362 HydrophobicContact CD2-CB 4.49Å; Y358-N362 WeakPolarHBondContact O-CB 3.17Å; Y358-P363 VanDerWaalsContact O-CD 3.27Å; Y358-P363 WeakPolarHBondContact O-CD 3.3Å; Y358-Q398 HydrophobicContact CD2-CG 3.86Å; Y358-Q398 VanDerWaalsContact CE2-CD 3.44Å; Y358-Q398 HydrophobicContact CE2-CG 4.23Å
359R89.9Confident90.2Very high41 Ų4120.6 Ų20.616%0.15511%0.105CC..Iπ-helixtrans-83.5-34.5-179.6-69.3-171.7-177.3-93.50.2112.7I209 V210 G212 I217 V221 R225 N354I209-R359 PolarHBondContact O-NH2 3.38Å; V210-R359 PolarHBondContact O-NH2 3.3Å; G212-R359 PolarHBondContact O-NH2 3.06Å; I217-R359 VanDerWaalsContact CG2-CD 3.44Å; V221-R359 WeakPolarHBondContact CG1-O 3.42Å; V221-R359 HydrophobicContact CG2-CB 4.2Å; R225-R359 PolarHBondContact NH2-O 3.05Å; N354-R359 PolarHBondContact O-N 2.67Å
360Y90.1Very high89.6Confident0 Ų023.5 Ų23.50%013%0.129CC..Iπ-helixtrans-94.5-56.1-175.7178.1-116.9000113.7H224 R225 L233 M325 L355 L356H224-Y360 HydrophobicContact CB-CE2 3.91Å; R225-Y360 HydrophobicContact CG-CD2 4.27Å; R225-Y360 HydrophobicContact CG-CE2 4.3Å; R225-Y360 PolarHBondContact NE-O 3.19Å; R225-Y360 PolarHBondContact NH2-O 3.47Å; L233-Y360 HydrophobicContact CD1-CD2 4.36Å; L233-Y360 HydrophobicContact CD1-CE1 4.43Å; L233-Y360 HydrophobicContact CD1-CE2 3.86Å; L233-Y360 HydrophobicContact CD2-CD1 3.99Å; L233-Y360 HydrophobicContact CD2-CE1 3.5Å; L233-Y360 HydrophobicContact CD2-CE2 4.42Å; L233-Y360 HydrophobicContact CG-CE1 3.97Å; L233-Y360 HydrophobicContact CG-CE2 4.16Å; M325-Y360 HydrophobicContact CE-CD2 3.88Å; M325-Y360 HydrophobicContact CE-CE2 4.16Å; M325-Y360 HydrophobicContact CE-CG 4.26Å; L355-Y360 WeakPolarHBondContact O-CB 3.29Å; L355-Y360 PolarHBondContact O-N 2.91Å; L355-Y360 VanDerWaalsContact O-N 3.08Å; L356-Y360 WeakPolarHBondContact O-CB 3.4Å
361M91.8Very high89.1Confident4 Ų422.7 Ų22.72%0.0213%0.126CC..Iπ-helixtrans-86.7-42-174.4-64.6179.2-17500114.8L233 I236 I314 I321 L356 Y357 A364 I365L233-M361 HydrophobicContact CD2-CB 4.47Å; L233-M361 HydrophobicContact CD2-CG 3.8Å; I236-M361 HydrophobicContact CD1-CE 4.4Å; I314-M361 HydrophobicContact CD1-SD 4.33Å; I314-M361 HydrophobicContact CG1-SD 4.2Å; I314-M361 HydrophobicContact CG2-CE 4.36Å; I314-M361 HydrophobicContact CG2-SD 3.98Å; I321-M361 HydrophobicContact CD1-CE 3.79Å; I321-M361 HydrophobicContact CG1-CE 4.05Å; L356-M361 WeakPolarHBondContact O-CG 3.41Å; L356-M361 PolarHBondContact O-N 3.46Å; Y357-M361 HydrophobicContact CD2-CB 4.35Å; Y357-M361 CarbonylContact O-C 3.54Å; Y357-M361 WeakPolarHBondContact O-CA 3.48Å; Y357-M361 PolarHBondContact O-N 3.11Å; M361-A364 WeakPolarHBondContact O-CA 3.33Å; M361-A364 WeakPolarHBondContact O-CB 3.45Å; M361-A364 PolarHBondContact O-N 3.4Å; M361-I365 PolarHBondContact O-N 2.85Å
362N92.6Very high88.4Confident15 Ų1524 Ų248%0.0813%0.133CC..Hα-helixtrans-57.3-45-168.8178.970.8000113.7Y357 Y358 A364 I365 V366 A394Y357-N362 HydrophobicContact CE1-CB 3.98Å; Y357-N362 WeakPolarHBondContact O-CB 3.2Å; Y357-N362 PolarHBondContact O-N 2.67Å; Y357-N362 PolarHBondContact OH-OD1 2.7Å; Y358-N362 HydrophobicContact CD2-CB 4.49Å; Y358-N362 WeakPolarHBondContact O-CB 3.17Å; N362-A364 VanDerWaalsContact C-N 3.26Å; N362-A364 PolarHBondContact O-N 3.31Å; N362-I365 WeakPolarHBondContact O-CB 3.36Å; N362-I365 PolarHBondContact O-N 2.96Å; N362-V366 WeakPolarHBondContact O-CG2 3.44Å; N362-V366 PolarHBondContact O-N 3.24Å; N362-A394 WeakPolarHBondContact OD1-CB 3.25Å; N362-A394 PolarHBondContact OD1-O 2.81Å
363P90.8Very high87.9Confident36 Ų3624 Ų2423%0.23413%0.133CC..Hα-helixtrans-60-32.6173.8-29.138.6000114.2R225 Y358 I365 V366 A367 F371R225-P363 VanDerWaalsContact NH2-CD 3.31Å; Y358-P363 VanDerWaalsContact O-CD 3.27Å; Y358-P363 WeakPolarHBondContact O-CD 3.3Å; P363-I365 VanDerWaalsContact C-N 3.3Å; P363-I365 PolarHBondContact O-N 3.47Å; P363-V366 PolarHBondContact O-N 3.5Å; P363-A367 PolarHBondContact O-N 3.49Å; P363-F371 HydrophobicContact CB-CD2 4.44Å; P363-F371 HydrophobicContact CB-CE1 4.32Å; P363-F371 HydrophobicContact CB-CE2 3.55Å; P363-F371 HydrophobicContact CB-CZ 3.48Å; P363-F371 VanDerWaalsContact CB-CZ 3.48Å; P363-F371 VanDerWaalsContact O-CD2 3.3Å; P363-F371 WeakPolarHBondContact O-CD2 3.28Å; P363-F371 VanDerWaalsContact O-CE2 3.31Å; P363-F371 WeakPolarHBondContact O-CE2 3.39Å
364A89.6Confident87.5Confident0 Ų024.4 Ų24.40%013%0.134CC..Hα-helixtrans-73.2-22.2177.100000112.9L233 L237 M361 N362 P368 F371 I373L233-A364 HydrophobicContact CD1-CB 4.22Å; L237-A364 HydrophobicContact CD1-CB 4.06Å; M361-A364 WeakPolarHBondContact O-CA 3.33Å; M361-A364 WeakPolarHBondContact O-CB 3.45Å; M361-A364 PolarHBondContact O-N 3.4Å; N362-A364 VanDerWaalsContact C-N 3.26Å; N362-A364 PolarHBondContact O-N 3.31Å; A364-P368 VanDerWaalsContact O-CA 3.26Å; A364-P368 WeakPolarHBondContact O-CA 3.33Å; A364-F371 HydrophobicContact CB-CB 3.88Å; A364-F371 HydrophobicContact CB-CD2 4.42Å; A364-F371 HydrophobicContact CB-CG 4.03Å; A364-I373 HydrophobicContact CB-CD1 4.06Å; A364-I373 HydrophobicContact CB-CG1 4Å
365I91.8Very high86.5Confident0 Ų030.8 Ų30.80%016%0.164CC..Hα-helixtrans-78.1-43.5170.7-60.5173.1000110.2L237 F310 Y357 M361 N362 P363 L390 A394 L397L237-I365 HydrophobicContact CD1-CG1 3.84Å; L237-I365 HydrophobicContact CD2-CD1 4.19Å; L237-I365 HydrophobicContact CD2-CG1 4.05Å; F310-I365 HydrophobicContact CD1-CD1 4.23Å; F310-I365 HydrophobicContact CD1-CG2 4.43Å; F310-I365 HydrophobicContact CE1-CG1 4.45Å; F310-I365 HydrophobicContact CE1-CG2 3.96Å; Y357-I365 HydrophobicContact CE2-CD1 4.13Å; M361-I365 PolarHBondContact O-N 2.85Å; N362-I365 WeakPolarHBondContact O-CB 3.36Å; N362-I365 PolarHBondContact O-N 2.96Å; P363-I365 VanDerWaalsContact C-N 3.3Å; P363-I365 PolarHBondContact O-N 3.47Å; I365-L390 HydrophobicContact CG2-CD2 4.45Å; I365-L390 WeakPolarHBondContact O-CB 3.47Å; I365-A394 HydrophobicContact CB-CB 4.42Å; I365-A394 HydrophobicContact CG2-CB 4.01Å; I365-L397 HydrophobicContact CD1-CD1 3.88Å
366V90.4Very high85.2Confident54 Ų5432 Ų3233%0.32717%0.172SC..Hα-helixtrans-69.3-38.8-176.6175.90000112.3N362 P363 A394N362-V366 WeakPolarHBondContact O-CG2 3.44Å; N362-V366 PolarHBondContact O-N 3.24Å; P363-V366 PolarHBondContact O-N 3.5Å; V366-A394 HydrophobicContact CG2-CB 3.5Å
367A86.8Confident83.7Confident25 Ų2536.1 Ų36.121%0.20720%0.201CC..  trans-130.566.9-178.300000111.1P363 D369 A370 F371P363-A367 PolarHBondContact O-N 3.49Å; A367-D369 PolarHBondContact O-N 3.14Å; A367-A370 HydrophobicContact CB-CB 3.96Å; A367-A370 PolarHBondContact O-N 3.09Å; A367-A370 VanDerWaalsContact O-N 3.09Å; A367-F371 HydrophobicContact CB-CD2 4.31Å; A367-F371 HydrophobicContact CB-CE2 4.42Å; A367-F371 VanDerWaalsContact O-CD2 3.31Å; A367-F371 WeakPolarHBondContact O-CD2 3.3Å; A367-F371 PolarHBondContact O-N 3.43Å
368P86.9Confident81.7Confident0 Ų037.9 Ų37.90%022%0.216CC..THydrogen-bonded Turntrans-64.6-23.9-172.829.6-37.5000113.5V241 A364 D372 I373 I374 L382 L390V241-P368 HydrophobicContact CG1-CB 3.78Å; V241-P368 HydrophobicContact CG1-CG 3.86Å; A364-P368 VanDerWaalsContact O-CA 3.26Å; A364-P368 WeakPolarHBondContact O-CA 3.33Å; P368-D372 PolarHBondContact O-N 3.34Å; P368-I373 HydrophobicContact CB-CB 3.89Å; P368-I373 HydrophobicContact CB-CG1 4.36Å; P368-I373 HydrophobicContact CB-CG2 4.34Å; P368-I373 WeakPolarHBondContact O-CB 3.25Å; P368-I373 PolarHBondContact O-N 2.84Å; P368-I374 HydrophobicContact CB-CD1 4.18Å; P368-I374 HydrophobicContact CB-CG1 4.09Å; P368-I374 HydrophobicContact CG-CD1 3.93Å; P368-I374 HydrophobicContact CG-CG1 4.38Å; P368-L382 HydrophobicContact CG-CD2 3.76Å; P368-L390 HydrophobicContact CG-CD1 3.69Å
369D82.2Confident79.8Confident46 Ų4636 Ų3625%0.24623%0.226CC..THydrogen-bonded Turntrans-67.4-48.417154.3-29.4000111.9A367 F371 D372 V376 L382 R387A367-D369 PolarHBondContact O-N 3.14Å; D369-F371 PolarHBondContact O-N 3.22Å; D369-D372 PolarHBondContact O-N 3Å; D369-V376 HydrophobicContact CB-CG2 3.94Å; D369-L382 HydrophobicContact CB-CD1 3.62Å; D369-R387 IonicContact OD2-NH2 3.35Å
370A78.6Confident78.4Confident65 Ų6535.5 Ų35.554%0.53723%0.233SC..THydrogen-bonded Turntrans-68.2-20.2-179.600000113.6A367A367-A370 HydrophobicContact CB-CB 3.96Å; A367-A370 PolarHBondContact O-N 3.09Å; A367-A370 VanDerWaalsContact O-N 3.09Å
371F78.8Confident77.3Confident49 Ų4942.7 Ų42.722%0.21527%0.267CS..THydrogen-bonded Turntrans-106.614.4179.7-72.4-85.1000113.5P363 A364 A367 D369 I373P363-F371 HydrophobicContact CB-CD2 4.44Å; P363-F371 HydrophobicContact CB-CE1 4.32Å; P363-F371 HydrophobicContact CB-CE2 3.55Å; P363-F371 HydrophobicContact CB-CZ 3.48Å; P363-F371 VanDerWaalsContact CB-CZ 3.48Å; P363-F371 VanDerWaalsContact O-CD2 3.3Å; P363-F371 WeakPolarHBondContact O-CD2 3.28Å; P363-F371 VanDerWaalsContact O-CE2 3.31Å; P363-F371 WeakPolarHBondContact O-CE2 3.39Å; A364-F371 HydrophobicContact CB-CB 3.88Å; A364-F371 HydrophobicContact CB-CD2 4.42Å; A364-F371 HydrophobicContact CB-CG 4.03Å; A367-F371 HydrophobicContact CB-CD2 4.31Å; A367-F371 HydrophobicContact CB-CE2 4.42Å; A367-F371 VanDerWaalsContact O-CD2 3.31Å; A367-F371 WeakPolarHBondContact O-CD2 3.3Å; A367-F371 PolarHBondContact O-N 3.43Å; D369-F371 PolarHBondContact O-N 3.22Å; F371-I373 HydrophobicContact CB-CG1 4.15Å; F371-I373 PolarHBondContact O-N 2.98Å; F371-I373 VanDerWaalsContact O-N 3.15Å
372D76.3Confident76.6Confident43 Ų4342.8 Ų42.823%0.2327%0.268CS..THydrogen-bonded Turntrans54.230178.6-61.8-50.9000114.3Q230 P368 D369 I374 K680Q230-D372 PolarHBondContact NE2-OD2 2.91Å; Q230-D372 PolarHBondContact OE1-OD2 3.41Å; P368-D372 PolarHBondContact O-N 3.34Å; D369-D372 PolarHBondContact O-N 3Å; D372-I374 VanDerWaalsContact C-N 3.34Å; D372-K680 IonicContact OD2-NZ 3.3Å; D372-K680 PolarHBondContact OD2-NZ 3.44Å
373I82.6Confident76.1Confident0 Ų045.6 Ų45.60%029%0.285CS..SBendtrans-73.6-34.7175.3-56.1-57000110.1L233 L237 A238 V241 A364 P368 F371L233-I373 HydrophobicContact CB-CD1 3.64Å; L237-I373 HydrophobicContact CB-CG2 4.02Å; A238-I373 HydrophobicContact CB-CG2 4.05Å; A238-I373 WeakPolarHBondContact CB-O 3.21Å; V241-I373 HydrophobicContact CG2-CG2 4.37Å; A364-I373 HydrophobicContact CB-CD1 4.06Å; A364-I373 HydrophobicContact CB-CG1 4Å; P368-I373 HydrophobicContact CB-CB 3.89Å; P368-I373 HydrophobicContact CB-CG1 4.36Å; P368-I373 HydrophobicContact CB-CG2 4.34Å; P368-I373 WeakPolarHBondContact O-CB 3.25Å; P368-I373 PolarHBondContact O-N 2.84Å; F371-I373 HydrophobicContact CB-CG1 4.15Å; F371-I373 PolarHBondContact O-N 2.98Å; F371-I373 VanDerWaalsContact O-N 3.15Å
374I81.3Confident75.7Confident9 Ų948 Ų485%0.04630%0.299CS..SBendtrans-125.4148.2178.857.9171.6000109.8V241 K242 M245 P368 D372 V376 L382V241-I374 HydrophobicContact CB-CG2 4.5Å; V241-I374 HydrophobicContact CG1-CG2 3.8Å; K242-I374 HydrophobicContact CG-CG2 4.32Å; M245-I374 HydrophobicContact CE-CD1 3.67Å; M245-I374 HydrophobicContact SD-CB 4.48Å; M245-I374 HydrophobicContact SD-CD1 3.25Å; M245-I374 WeakPolarHBondContact SD-CD1 3.49Å; M245-I374 HydrophobicContact SD-CG1 4.42Å; M245-I374 HydrophobicContact SD-CG2 4.08Å; P368-I374 HydrophobicContact CB-CD1 4.18Å; P368-I374 HydrophobicContact CB-CG1 4.09Å; P368-I374 HydrophobicContact CG-CD1 3.93Å; P368-I374 HydrophobicContact CG-CG1 4.38Å; D372-I374 VanDerWaalsContact C-N 3.34Å; I374-V376 HydrophobicContact CD1-CG2 3.68Å; I374-V376 HydrophobicContact CG1-CG2 3.92Å; I374-L382 HydrophobicContact CD1-CD1 3.88Å
375E69.8Low75.3Confident150 Ų15052.2 Ų52.270%0.70132%0.319SS*.  trans-91.5103.7171.2-71.9169.7-159.700107.5R234R234-E375 IonicContact CZ-OE1 3.84Å; R234-E375 IonicContact NH1-OE1 3.22Å; R234-E375 PolarHBondContact NH1-OE1 2.99Å; R234-E375 IonicContact NH2-OE1 2.59Å; R234-E375 PolarHBondContact NH2-OE1 3.37Å
376V65.3Low75.1Confident29 Ų2953.9 Ų53.918%0.17633%0.327CS..  trans-88.1141.7170.7-165.80000108D369 I374 G380 L382 F683D369-V376 HydrophobicContact CB-CG2 3.94Å; I374-V376 HydrophobicContact CD1-CG2 3.68Å; I374-V376 HydrophobicContact CG1-CG2 3.92Å; V376-G380 VanDerWaalsContact CG1-C 3.45Å; V376-G380 WeakPolarHBondContact CG1-O 3.29Å; V376-L382 HydrophobicContact CG2-CD1 4.3Å; V376-F683 WeakPolarHBondContact O-CE2 3.27Å
377S58.8Low74.9Confident93 Ų9356 Ų5665%0.6533%0.329SS*.  trans-56.7151.2176.250.50000111.2G379 G380S377-G379 PolarHBondContact O-N 3.48Å; S377-G380 PolarHBondContact O-N 2.94Å
378A50.3Low74.9Confident43 Ų4358.9 Ų58.936%0.35534%0.335SS..THydrogen-bonded Turntrans-56.5110.7-178.600000111.2M686A378-M686 HydrophobicContact CB-CB 4.31Å
379G51.7Low75.1Confident54 Ų5459.1 Ų59.156%0.55734%0.336SS*.THydrogen-bonded Turntrans89.7-0.5-175.900000115.8S377S377-G379 PolarHBondContact O-N 3.48Å
380G60.9Low75.5Confident31 Ų3156.9 Ų56.932%0.3232%0.324SS..  trans-76.8139168.100000110.8V376 S377V376-G380 VanDerWaalsContact CG1-C 3.45Å; V376-G380 WeakPolarHBondContact CG1-O 3.29Å; S377-G380 PolarHBondContact O-N 2.94Å
381Q66.8Low76.1Confident150 Ų15055 Ų5570%0.70131%0.311SS*.  trans-122.2152.1172.5-66.9-175.2-10.600109.1T383Q381-T383 PolarHBondContact O-N 3.37Å
382L76.8Confident76.6Confident7 Ų754 Ų544%0.03731%0.31CS..  trans-56.1139.1168.7-84.871.6000109.7P368 D369 I374 V376 Q386 L390P368-L382 HydrophobicContact CG-CD2 3.76Å; D369-L382 HydrophobicContact CB-CD1 3.62Å; I374-L382 HydrophobicContact CD1-CD1 3.88Å; V376-L382 HydrophobicContact CG2-CD1 4.3Å; L382-Q386 HydrophobicContact CB-CB 4.41Å; L382-Q386 HydrophobicContact CD2-CB 4.42Å; L382-Q386 HydrophobicContact CG-CB 4.49Å; L382-L390 HydrophobicContact CD2-CD1 3.67Å
383T82.4Confident77.4Confident74 Ų7452 Ų5245%0.45430%0.299SS..  trans-63.8152.6171.572.60000109.7Q381 E385 Q386 R387Q381-T383 PolarHBondContact O-N 3.37Å; T383-E385 PolarHBondContact O-N 2.9Å; T383-E385 VanDerWaalsContact O-N 3.15Å; T383-Q386 VanDerWaalsContact N-OE1 3.08Å; T383-Q386 PolarHBondContact O-N 3.46Å; T383-Q386 VanDerWaalsContact O-N 3.14Å; T383-Q386 VanDerWaalsContact OG1-CG 3.3Å; T383-Q386 WeakPolarHBondContact OG1-CG 3.48Å; T383-Q386 PolarHBondContact OG1-N 3.27Å; T383-Q386 VanDerWaalsContact OG1-N 3.12Å; T383-Q386 PolarHBondContact OG1-OE1 3.45Å; T383-R387 PolarHBondContact O-N 3.37Å
384T81.8Confident77.9Confident86 Ų8652 Ų5253%0.52830%0.299SS..Hα-helixtrans-54.9-34.9176-52.70000111.6R388T384-R388 WeakPolarHBondContact O-CB 3.4Å; T384-R388 PolarHBondContact O-N 3.41Å
385E82.3Confident78.4Confident88 Ų8856.7 Ų56.741%0.41132%0.319SS..Hα-helixtrans-68.2-46.7177.2-178.8148.6-120.300112.8T383 R387 R388 N389T383-E385 PolarHBondContact O-N 2.9Å; T383-E385 VanDerWaalsContact O-N 3.15Å; E385-R387 VanDerWaalsContact C-N 3.31Å; E385-R387 PolarHBondContact O-N 2.9Å; E385-R388 PolarHBondContact O-N 2.81Å; E385-R388 IonicContact OE1-NH2 2.99Å; E385-R388 PolarHBondContact OE1-NH2 3.47Å; E385-N389 WeakPolarHBondContact O-CB 3.49Å; E385-N389 PolarHBondContact O-N 3.15Å; E385-N389 PolarHBondContact O-OD1 3.25Å
386Q85.9Confident79.4Confident36 Ų3649.9 Ų49.917%0.16829%0.287CS..Hα-helixtrans-58.9-44.4175.1-74.8168.8-24.100111.2M245 L382 T383 N389 L390M245-Q386 PolarHBondContact O-NE2 3.08Å; M245-Q386 VanDerWaalsContact O-NE2 3.11Å; L382-Q386 HydrophobicContact CB-CB 4.41Å; L382-Q386 HydrophobicContact CD2-CB 4.42Å; L382-Q386 HydrophobicContact CG-CB 4.49Å; T383-Q386 VanDerWaalsContact N-OE1 3.08Å; T383-Q386 PolarHBondContact O-N 3.46Å; T383-Q386 VanDerWaalsContact O-N 3.14Å; T383-Q386 VanDerWaalsContact OG1-CG 3.3Å; T383-Q386 WeakPolarHBondContact OG1-CG 3.48Å; T383-Q386 PolarHBondContact OG1-N 3.27Å; T383-Q386 VanDerWaalsContact OG1-N 3.12Å; T383-Q386 PolarHBondContact OG1-OE1 3.45Å; Q386-N389 PolarHBondContact O-N 3.38Å; Q386-L390 WeakPolarHBondContact O-CB 3.4Å; Q386-L390 WeakPolarHBondContact O-CG 3.43Å; Q386-L390 PolarHBondContact O-N 3.41Å
387R87.8Confident80.7Confident97 Ų9748.5 Ų48.537%0.36628%0.279SS..Hα-helixtrans-64.1-41.1177.5-171.2174.9-70.3132.1-1.2112D369 T383 E385 G391D369-R387 IonicContact OD2-NH2 3.35Å; T383-R387 PolarHBondContact O-N 3.37Å; E385-R387 VanDerWaalsContact C-N 3.31Å; E385-R387 PolarHBondContact O-N 2.9Å; R387-G391 PolarHBondContact O-N 3.13Å
388R86.9Confident82.3Confident87 Ų8747.1 Ų47.133%0.32826%0.263SS..Hα-helixtrans-63.9-42.9175-174.7-175.866.6-144.4-9.2111.5K253 T384 E385 G391 S392K253-R388 VanDerWaalsContact CE-NH1 3.33Å; T384-R388 WeakPolarHBondContact O-CB 3.4Å; T384-R388 PolarHBondContact O-N 3.41Å; E385-R388 PolarHBondContact O-N 2.81Å; E385-R388 IonicContact OE1-NH2 2.99Å; E385-R388 PolarHBondContact OE1-NH2 3.47Å; R388-G391 PolarHBondContact O-N 3.32Å; R388-S392 WeakPolarHBondContact O-CB 3.21Å; R388-S392 PolarHBondContact O-N 3.02Å; R388-S392 PolarHBondContact O-OG 2.63Å
389N89.4Confident84.2Confident4 Ų446 Ų462%0.02125%0.25CC..Hα-helixtrans-63.5-50.2-179.9-73.3-6000110.7I244 L250 I252 E385 Q386 G391 S392 V393I244-N389 HydrophobicContact CG2-CB 4.22Å; L250-N389 PolarHBondContact O-ND2 2.79Å; I252-N389 HydrophobicContact CD1-CB 3.72Å; I252-N389 HydrophobicContact CG1-CB 4.08Å; I252-N389 WeakPolarHBondContact CG1-OD1 3.31Å; E385-N389 WeakPolarHBondContact O-CB 3.49Å; E385-N389 PolarHBondContact O-N 3.15Å; E385-N389 PolarHBondContact O-OD1 3.25Å; Q386-N389 PolarHBondContact O-N 3.38Å; N389-G391 VanDerWaalsContact C-N 3.35Å; N389-G391 PolarHBondContact O-N 3.01Å; N389-S392 PolarHBondContact O-N 3.1Å; N389-S392 VanDerWaalsContact O-N 3.14Å; N389-V393 WeakPolarHBondContact O-CG2 3.33Å; N389-V393 PolarHBondContact O-N 2.82Å
390L91.4Very high86Confident0 Ų043.5 Ų43.50%022%0.224CC..Hα-helixtrans-61-41.5175-71.9169.3000112.5V241 I244 F310 I365 P368 L382 Q386 S392 V393 A394V241-L390 HydrophobicContact CG1-CD2 4.39Å; V241-L390 HydrophobicContact CG2-CD2 4.33Å; I244-L390 HydrophobicContact CB-CD2 4.47Å; I244-L390 HydrophobicContact CD1-CD2 3.87Å; I244-L390 HydrophobicContact CG2-CD2 4.24Å; I244-L390 HydrophobicContact CG2-CG 4.31Å; F310-L390 HydrophobicContact CZ-CD2 4.26Å; I365-L390 HydrophobicContact CG2-CD2 4.45Å; I365-L390 WeakPolarHBondContact O-CB 3.47Å; P368-L390 HydrophobicContact CG-CD1 3.69Å; L382-L390 HydrophobicContact CD2-CD1 3.67Å; Q386-L390 WeakPolarHBondContact O-CB 3.4Å; Q386-L390 WeakPolarHBondContact O-CG 3.43Å; Q386-L390 PolarHBondContact O-N 3.41Å; L390-S392 VanDerWaalsContact C-N 3.27Å; L390-S392 PolarHBondContact O-N 2.89Å; L390-V393 PolarHBondContact O-N 3.47Å; L390-A394 WeakPolarHBondContact O-CB 3.5Å; L390-A394 PolarHBondContact O-N 3.03Å
391G91.3Very high87.4Confident26 Ų2642.4 Ų42.427%0.26821%0.212SC..Hα-helixtrans-60.5-35.5174.500000113.2R387 R388 N389 K395R387-G391 PolarHBondContact O-N 3.13Å; R388-G391 PolarHBondContact O-N 3.32Å; N389-G391 VanDerWaalsContact C-N 3.35Å; N389-G391 PolarHBondContact O-N 3.01Å; G391-K395 WeakPolarHBondContact O-CB 3.07Å; G391-K395 PolarHBondContact O-N 2.8Å
392S90.3Very high88.3Confident27 Ų2737.7 Ų37.719%0.18920%0.196CC..Hα-helixtrans-72.3-42178.2-54.80000112R388 N389 L390 K395 M396R388-S392 WeakPolarHBondContact O-CB 3.21Å; R388-S392 PolarHBondContact O-N 3.02Å; R388-S392 PolarHBondContact O-OG 2.63Å; N389-S392 PolarHBondContact O-N 3.1Å; N389-S392 VanDerWaalsContact O-N 3.14Å; L390-S392 VanDerWaalsContact C-N 3.27Å; L390-S392 PolarHBondContact O-N 2.89Å; S392-K395 PolarHBondContact O-N 3.32Å; S392-M396 PolarHBondContact O-N 3.38Å
393V92.6Very high88.9Confident0 Ų040.1 Ų40.10%021%0.208CC..Hα-helixtrans-62.4-46.4173.5173.80000110.8I244 I252 M303 I306 F310 N389 L390 K395 M396 L397I244-V393 HydrophobicContact CD1-CG2 4.08Å; I252-V393 HydrophobicContact CD1-CG2 4.06Å; M303-V393 HydrophobicContact SD-CG2 4.18Å; I306-V393 HydrophobicContact CG2-CG2 3.8Å; F310-V393 HydrophobicContact CB-CG1 4.34Å; F310-V393 HydrophobicContact CD1-CG1 4.17Å; F310-V393 HydrophobicContact CD2-CG1 3.94Å; F310-V393 HydrophobicContact CE1-CG1 4.49Å; F310-V393 HydrophobicContact CE2-CG1 4.3Å; F310-V393 HydrophobicContact CG-CG1 3.87Å; N389-V393 WeakPolarHBondContact O-CG2 3.33Å; N389-V393 PolarHBondContact O-N 2.82Å; L390-V393 PolarHBondContact O-N 3.47Å; V393-K395 VanDerWaalsContact C-N 3.33Å; V393-K395 PolarHBondContact O-N 2.85Å; V393-M396 PolarHBondContact O-N 2.92Å; V393-L397 HydrophobicContact CG1-CD1 4.01Å; V393-L397 HydrophobicContact CG1-CG 4.47Å; V393-L397 WeakPolarHBondContact O-CG 3.48Å; V393-L397 PolarHBondContact O-N 3.42Å
394A93.4Very high89.1Confident1 Ų142.8 Ų42.81%0.00821%0.214CC..Hα-helixtrans-56.5-45.2175.200000111.8Y357 N362 I365 V366 L390 M396 L397 Q398Y357-A394 PolarHBondContact OH-O 2.96Å; N362-A394 WeakPolarHBondContact OD1-CB 3.25Å; N362-A394 PolarHBondContact OD1-O 2.81Å; I365-A394 HydrophobicContact CB-CB 4.42Å; I365-A394 HydrophobicContact CG2-CB 4.01Å; V366-A394 HydrophobicContact CG2-CB 3.5Å; L390-A394 WeakPolarHBondContact O-CB 3.5Å; L390-A394 PolarHBondContact O-N 3.03Å; A394-M396 PolarHBondContact O-N 2.93Å; A394-L397 PolarHBondContact O-N 2.87Å; A394-Q398 WeakPolarHBondContact O-CB 3.45Å; A394-Q398 PolarHBondContact O-N 2.81Å
395K90.6Very high89.3Confident107 Ų10741.1 Ų41.147%0.46520%0.201SC..Hα-helixtrans-60.7-44.7175.2-172.7179.7-179.7-175.30111.8G391 S392 V393 Q398 H399G391-K395 WeakPolarHBondContact O-CB 3.07Å; G391-K395 PolarHBondContact O-N 2.8Å; S392-K395 PolarHBondContact O-N 3.32Å; V393-K395 VanDerWaalsContact C-N 3.33Å; V393-K395 PolarHBondContact O-N 2.85Å; K395-Q398 WeakPolarHBondContact O-CB 3.49Å; K395-Q398 PolarHBondContact O-N 3.31Å; K395-H399 PolarHBondContact O-CD2 3.49Å; K395-H399 PolarHBondContact O-N 2.86Å
396M91.1Very high89.4Confident7 Ų737.4 Ų37.43%0.03418%0.183CC..Hα-helixtrans-63.8-44.6178.3-82-16049.200113.1M303 T307 S392 V393 A394 Q398 H399 A400 I416 Y419 L420M303-M396 HydrophobicContact CB-SD 4.34Å; M303-M396 HydrophobicContact CG-CE 4.32Å; M303-M396 HydrophobicContact CG-CG 4.37Å; M303-M396 HydrophobicContact CG-SD 3.09Å; M303-M396 WeakPolarHBondContact CG-SD 3.48Å; M303-M396 HydrophobicContact SD-SD 3.96Å; T307-M396 HydrophobicContact CG2-CB 3.94Å; T307-M396 HydrophobicContact CG2-CE 4.21Å; S392-M396 PolarHBondContact O-N 3.38Å; V393-M396 PolarHBondContact O-N 2.92Å; A394-M396 PolarHBondContact O-N 2.93Å; M396-Q398 VanDerWaalsContact C-N 3.32Å; M396-Q398 PolarHBondContact O-N 3.15Å; M396-H399 PolarHBondContact O-N 3.28Å; M396-A400 PolarHBondContact O-N 2.92Å; M396-I416 HydrophobicContact CE-CG2 3.41Å; M396-I416 VanDerWaalsContact CE-CG2 3.41Å; M396-I416 HydrophobicContact SD-CD1 4.34Å; M396-I416 HydrophobicContact SD-CG2 4.2Å; M396-Y419 HydrophobicContact CE-CD1 3.82Å; M396-Y419 HydrophobicContact CE-CE1 3.79Å; M396-L420 HydrophobicContact CE-CD2 4.48Å
397L93.1Very high89.1Confident0 Ų042 Ų420%021%0.208CC..Hα-helixtrans-64-37.1175.5-71.1170.7000111.8T307 F310 L311 I314 Y357 I365 V393 A394 A400 A401 F427T307-L397 HydrophobicContact CG2-CD2 3.69Å; T307-L397 HydrophobicContact CG2-CG 3.9Å; F310-L397 HydrophobicContact CB-CD1 3.83Å; F310-L397 HydrophobicContact CB-CD2 4.45Å; F310-L397 HydrophobicContact CD1-CD1 4.27Å; F310-L397 HydrophobicContact CG-CD1 4.36Å; L311-L397 HydrophobicContact CB-CD2 4.07Å; I314-L397 HydrophobicContact CD1-CD1 4.46Å; Y357-L397 HydrophobicContact CE1-CB 4.1Å; Y357-L397 HydrophobicContact CE2-CB 3.79Å; Y357-L397 HydrophobicContact CE2-CD1 4.11Å; Y357-L397 WeakPolarHBondContact OH-CB 3.21Å; I365-L397 HydrophobicContact CD1-CD1 3.88Å; V393-L397 HydrophobicContact CG1-CD1 4.01Å; V393-L397 HydrophobicContact CG1-CG 4.47Å; V393-L397 WeakPolarHBondContact O-CG 3.48Å; V393-L397 PolarHBondContact O-N 3.42Å; A394-L397 PolarHBondContact O-N 2.87Å; L397-A400 PolarHBondContact O-N 2.91Å; L397-A401 WeakPolarHBondContact O-CB 3.32Å; L397-A401 PolarHBondContact O-N 3.45Å; L397-F427 HydrophobicContact CD2-CE2 4.28Å; L397-F427 HydrophobicContact CD2-CZ 4.19Å
398Q91.7Very high88.5Confident65 Ų6540.3 Ų40.330%0.30422%0.221SC..Hα-helixtrans-61.7-44173.2-178.4-175-5.600112Y357 Y358 A394 K395 M396 A400 A401 S402Y357-Q398 HydrophobicContact CE1-CB 4.03Å; Y358-Q398 HydrophobicContact CD2-CG 3.86Å; Y358-Q398 VanDerWaalsContact CE2-CD 3.44Å; Y358-Q398 HydrophobicContact CE2-CG 4.23Å; A394-Q398 WeakPolarHBondContact O-CB 3.45Å; A394-Q398 PolarHBondContact O-N 2.81Å; K395-Q398 WeakPolarHBondContact O-CB 3.49Å; K395-Q398 PolarHBondContact O-N 3.31Å; M396-Q398 VanDerWaalsContact C-N 3.32Å; M396-Q398 PolarHBondContact O-N 3.15Å; Q398-A400 VanDerWaalsContact C-N 3.34Å; Q398-A401 PolarHBondContact O-N 3.12Å; Q398-S402 WeakPolarHBondContact O-CB 3.36Å; Q398-S402 PolarHBondContact O-N 3.24Å; Q398-S402 PolarHBondContact O-OG 2.87Å
399H89.5Confident87.4Confident19 Ų1943.6 Ų43.69%0.08825%0.245CC..Hα-helixtrans-63.3-40.4175.2-86.4-109.4000111.6K395 M396 N403 K404 F406 L420K395-H399 PolarHBondContact O-CD2 3.49Å; K395-H399 PolarHBondContact O-N 2.86Å; M396-H399 PolarHBondContact O-N 3.28Å; H399-N403 WeakPolarHBondContact O-CA 3.34Å; H399-N403 PolarHBondContact O-N 2.79Å; H399-K404 WeakPolarHBondContact CB-O 3.42Å; H399-K404 PolarHBondContact ND1-O 3.15Å; H399-K404 PolarHBondContact O-N 2.96Å; H399-F406 AromaticContact CE1-CE1 3.64Å; H399-F406 AromaticContact ND1-CZ 3.97Å; H399-F406 AromaticContact NE2-CE1 3.95Å; H399-L420 HydrophobicContact CB-CD1 4.1Å; H399-L420 HydrophobicContact CB-CD2 4.15Å
400A91.1Very high86.7Confident1 Ų146.5 Ų46.51%0.00826%0.261CS..Hα-helixtrans-65.6-42.4174.600000112.5M396 L397 Q398 S402 N403 L420 H424 F427M396-A400 PolarHBondContact O-N 2.92Å; L397-A400 PolarHBondContact O-N 2.91Å; Q398-A400 VanDerWaalsContact C-N 3.34Å; A400-S402 VanDerWaalsContact C-N 3.34Å; A400-S402 PolarHBondContact O-N 3.34Å; A400-N403 PolarHBondContact O-N 2.93Å; A400-L420 HydrophobicContact CB-CD2 4.01Å; A400-H424 WeakPolarHBondContact O-CA 3.29Å; A400-H424 WeakPolarHBondContact O-CB 3.49Å; A400-H424 PolarHBondContact O-ND1 3Å; A400-F427 HydrophobicContact CB-CD2 4.04Å; A400-F427 HydrophobicContact CB-CE2 3.9Å
401A88.9Confident85.9Confident8 Ų849.2 Ų49.27%0.06628%0.283CS..Hα-helixtrans-66.3-34.517900000112.7Y357 L397 Q398 F427Y357-A401 HydrophobicContact CD1-CB 3.69Å; Y357-A401 HydrophobicContact CE1-CB 4.41Å; Y357-A401 HydrophobicContact CG-CB 4.13Å; L397-A401 WeakPolarHBondContact O-CB 3.32Å; L397-A401 PolarHBondContact O-N 3.45Å; Q398-A401 PolarHBondContact O-N 3.12Å; A401-F427 HydrophobicContact CB-CD2 4.39Å; A401-F427 HydrophobicContact CB-CE2 4.33Å; A401-F427 HydrophobicContact CB-CZ 4.48Å
402S86.4Confident85.2Confident52 Ų5249.7 Ų49.736%0.36428%0.278SS..Hα-helixtrans-94.6-0.3-17957.60000114.8Q398 A400 K404Q398-S402 WeakPolarHBondContact O-CB 3.36Å; Q398-S402 PolarHBondContact O-N 3.24Å; Q398-S402 PolarHBondContact O-OG 2.87Å; A400-S402 VanDerWaalsContact C-N 3.34Å; A400-S402 PolarHBondContact O-N 3.34Å; S402-K404 PolarHBondContact O-N 3.08Å
403N88.5Confident84.8Confident57 Ų5748.8 Ų48.831%0.30527%0.271SS..THydrogen-bonded Turntrans53.339.2-171.5-156.912.4000113.4H399 A400 M405 H424H399-N403 WeakPolarHBondContact O-CA 3.34Å; H399-N403 PolarHBondContact O-N 2.79Å; A400-N403 PolarHBondContact O-N 2.93Å; N403-M405 WeakPolarHBondContact OD1-CE 3.46Å; N403-H424 HydrophobicContact CB-CB 4.46Å; N403-H424 VanDerWaalsContact CG-CD2 3.49Å
404K86.8Confident84.3Confident130 Ų13052.5 Ų52.557%0.56529%0.291SS*.  trans-97.3113.6-177.9-172.8178.8-179.3-179.50110.7H399 S402H399-K404 WeakPolarHBondContact CB-O 3.42Å; H399-K404 PolarHBondContact ND1-O 3.15Å; H399-K404 PolarHBondContact O-N 2.96Å; S402-K404 PolarHBondContact O-N 3.08Å
405M86.9Confident83.9Confident51 Ų5156 Ų5625%0.25131%0.313SS..  trans-77.2152.6176.5-56.8-53.8162.400111.9N403 L407 N417 L420 S421N403-M405 WeakPolarHBondContact OD1-CE 3.46Å; M405-L407 HydrophobicContact CB-CD2 4.48Å; M405-L407 HydrophobicContact CB-CG 4.41Å; M405-N417 HydrophobicContact SD-CB 3.81Å; M405-L420 HydrophobicContact SD-CB 4.22Å; M405-S421 WeakPolarHBondContact CE-OG 3.48Å
406F83.9Confident83.7Confident11 Ų1151 Ų515%0.04829%0.291CS..  trans-75.1125.8164.9-67.4-74.7000108.8H399 N410 L413 N414 I416 N417 L420H399-F406 AromaticContact CE1-CE1 3.64Å; H399-F406 AromaticContact ND1-CZ 3.97Å; H399-F406 AromaticContact NE2-CE1 3.95Å; F406-N410 HydrophobicContact CB-CB 4.38Å; F406-N410 HydrophobicContact CD1-CB 4.42Å; F406-L413 HydrophobicContact CB-CB 4.01Å; F406-L413 HydrophobicContact CD1-CD1 3.86Å; F406-L413 HydrophobicContact CD2-CB 4.06Å; F406-L413 HydrophobicContact CD2-CD1 4.43Å; F406-L413 HydrophobicContact CE1-CD1 3.97Å; F406-L413 HydrophobicContact CG-CB 3.95Å; F406-L413 HydrophobicContact CG-CD1 4.11Å; F406-L413 HydrophobicContact CZ-CD1 4.29Å; F406-N414 PolarHBondContact O-OD1 2.77Å; F406-I416 HydrophobicContact CE2-CG2 4.38Å; F406-N417 PolarHBondContact N-OD1 3.38Å; F406-N417 PolarHBondContact O-ND2 3.22Å; F406-L420 HydrophobicContact CD2-CD1 3.83Å; F406-L420 HydrophobicContact CE2-CD1 3.83Å
407L79.3Confident83.6Confident132 Ų13251.8 Ų51.869%0.69130%0.296SS*.  trans-136.3164-177.6-62.1173.4000110M405M405-L407 HydrophobicContact CB-CD2 4.48Å; M405-L407 HydrophobicContact CB-CG 4.41Å
408G76.1Confident83.4Confident61 Ų6159.5 Ų59.563%0.62933%0.332SS*.G310 helixtrans67.8-129.1174.500000113.2N410 A411G408-N410 PolarHBondContact O-N 2.87Å; G408-A411 PolarHBondContact O-N 3.5Å; G408-A411 VanDerWaalsContact O-N 3.07Å
409D64.4Low83.3Confident157 Ų15757.8 Ų57.884%0.8432%0.323SS*.G310 helixtrans-58.4-10-176-55.3-19.3000114.6
410N73.1Confident83.4Confident65 Ų6556.9 Ų56.935%0.34832%0.319SS..G310 helixtrans-10128.1175.8-60.3-73.5000113.4F406 G408 H412 L413F406-N410 HydrophobicContact CB-CB 4.38Å; F406-N410 HydrophobicContact CD1-CB 4.42Å; G408-N410 PolarHBondContact O-N 2.87Å; N410-H412 PolarHBondContact O-N 3.41Å; N410-L413 HydrophobicContact CB-CD1 4.26Å; N410-L413 WeakPolarHBondContact O-CB 3.5Å; N410-L413 PolarHBondContact O-N 2.97Å
411A74.6Confident83.3Confident56 Ų5659.2 Ų59.246%0.46334%0.335SS..G310 helixtrans-54.6-29.2-17700000114G408 L413 N414G408-A411 PolarHBondContact O-N 3.5Å; G408-A411 VanDerWaalsContact O-N 3.07Å; A411-L413 PolarHBondContact O-N 3.2Å; A411-L413 VanDerWaalsContact O-N 3.17Å; A411-N414 VanDerWaalsContact O-CB 3.25Å; A411-N414 WeakPolarHBondContact O-CB 3.3Å; A411-N414 PolarHBondContact O-N 3Å; A411-N414 PolarHBondContact O-ND2 2.79Å
412H77.5Confident83.5Confident36 Ų3661.6 Ų61.617%0.16735%0.351CS..G310 helixtrans-63-16.5174.760.1-87.1000113.6T254 P256 M287 L296 N410T254-H412 PolarHBondContact O-CD2 2.99Å; T254-H412 PolarHBondContact O-NE2 3.23Å; P256-H412 HydrophobicContact CG-CB 4.45Å; M287-H412 HydrophobicContact CE-CB 4.16Å; L296-H412 HydrophobicContact CD2-CB 4.13Å; N410-H412 PolarHBondContact O-N 3.41Å
413L82.3Confident83.8Confident8 Ų859.1 Ų59.14%0.04233%0.334CS..G310 helixtrans-95.91.2175.2-55.5-178.7000113.7T254 I300 F406 N410 A411 P415 I416T254-L413 HydrophobicContact CG2-CD2 4.24Å; I300-L413 HydrophobicContact CD1-CD2 4.42Å; F406-L413 HydrophobicContact CB-CB 4.01Å; F406-L413 HydrophobicContact CD1-CD1 3.86Å; F406-L413 HydrophobicContact CD2-CB 4.06Å; F406-L413 HydrophobicContact CD2-CD1 4.43Å; F406-L413 HydrophobicContact CE1-CD1 3.97Å; F406-L413 HydrophobicContact CG-CB 3.95Å; F406-L413 HydrophobicContact CG-CD1 4.11Å; F406-L413 HydrophobicContact CZ-CD1 4.29Å; N410-L413 HydrophobicContact CB-CD1 4.26Å; N410-L413 WeakPolarHBondContact O-CB 3.5Å; N410-L413 PolarHBondContact O-N 2.97Å; A411-L413 PolarHBondContact O-N 3.2Å; A411-L413 VanDerWaalsContact O-N 3.17Å; L413-P415 VanDerWaalsContact C-N 3.26Å; L413-I416 HydrophobicContact CB-CD1 4.25Å; L413-I416 HydrophobicContact CD2-CD1 3.91Å; L413-I416 VanDerWaalsContact O-CB 3.25Å; L413-I416 WeakPolarHBondContact O-CB 3.24Å; L413-I416 PolarHBondContact O-N 3.07Å
414N82.2Confident83.9Confident79 Ų7956.7 Ų56.742%0.42232%0.321SS..Hα-helixtrans-50.6-37.2175.5-74.9-11.1000114.3F406 A411 I416 N417F406-N414 PolarHBondContact O-OD1 2.77Å; A411-N414 VanDerWaalsContact O-CB 3.25Å; A411-N414 WeakPolarHBondContact O-CB 3.3Å; A411-N414 PolarHBondContact O-N 3Å; A411-N414 PolarHBondContact O-ND2 2.79Å; N414-I416 PolarHBondContact O-N 3.34Å; N414-N417 WeakPolarHBondContact O-CB 3.1Å; N414-N417 PolarHBondContact O-N 3.4Å; N414-N417 PolarHBondContact OD1-ND2 3.02Å
415P83.3Confident84.1Confident74 Ų7455.7 Ų55.748%0.48132%0.318SS..Hα-helixtrans-59.5-15.6175.5-25.435.8000114.3K304 L413K304-P415 WeakPolarHBondContact CE-O 3.23Å; K304-P415 PolarHBondContact NZ-O 3.29Å; L413-P415 VanDerWaalsContact C-N 3.26Å
416I86.8Confident84.4Confident1 Ų157.5 Ų57.51%0.00533%0.325CS..Hα-helixtrans-84.8-24.1177.8-55.5179.5000111.4I300 M396 F406 L413 N414 E418 Y419 L420I300-I416 HydrophobicContact CG1-CD1 4.28Å; I300-I416 HydrophobicContact CG2-CD1 4.04Å; I300-I416 HydrophobicContact CG2-CG1 3.72Å; M396-I416 HydrophobicContact CE-CG2 3.41Å; M396-I416 VanDerWaalsContact CE-CG2 3.41Å; M396-I416 HydrophobicContact SD-CD1 4.34Å; M396-I416 HydrophobicContact SD-CG2 4.2Å; F406-I416 HydrophobicContact CE2-CG2 4.38Å; L413-I416 HydrophobicContact CB-CD1 4.25Å; L413-I416 HydrophobicContact CD2-CD1 3.91Å; L413-I416 VanDerWaalsContact O-CB 3.25Å; L413-I416 WeakPolarHBondContact O-CB 3.24Å; L413-I416 PolarHBondContact O-N 3.07Å; N414-I416 PolarHBondContact O-N 3.34Å; I416-E418 VanDerWaalsContact C-N 3.31Å; I416-E418 PolarHBondContact O-N 2.97Å; I416-Y419 HydrophobicContact CG2-CD1 4.43Å; I416-Y419 WeakPolarHBondContact O-CA 3.31Å; I416-Y419 WeakPolarHBondContact O-CB 3.12Å; I416-Y419 PolarHBondContact O-N 3.47Å; I416-L420 HydrophobicContact CG2-CD1 4.36Å; I416-L420 HydrophobicContact CG2-CD2 4.34Å; I416-L420 HydrophobicContact CG2-CG 4.03Å; I416-L420 PolarHBondContact O-N 2.77Å
417N89Confident84.6Confident24 Ų2457.3 Ų57.313%0.12832%0.324CS..Hα-helixtrans-61.8-34.5-173.9-70.5-21.5000113.4M405 F406 N414 L420 S421M405-N417 HydrophobicContact SD-CB 3.81Å; F406-N417 PolarHBondContact N-OD1 3.38Å; F406-N417 PolarHBondContact O-ND2 3.22Å; N414-N417 WeakPolarHBondContact O-CB 3.1Å; N414-N417 PolarHBondContact O-N 3.4Å; N414-N417 PolarHBondContact OD1-ND2 3.02Å; N417-L420 PolarHBondContact O-N 3.5Å; N417-S421 PolarHBondContact O-N 3.42Å; N417-S421 PolarHBondContact O-OG 3.33Å
418E88.6Confident85.2Confident163 Ų16354.9 Ų54.976%0.76231%0.305SS*.Hα-helixtrans-63.4-43.4173.3-172.8-178.1-176.800111.4I416 S421 S422I416-E418 VanDerWaalsContact C-N 3.31Å; I416-E418 PolarHBondContact O-N 2.97Å; E418-S421 PolarHBondContact O-N 2.85Å; E418-S422 PolarHBondContact O-N 3.44Å; E418-S422 VanDerWaalsContact O-N 3.11Å
419Y90.5Very high85.8Confident29 Ų2956 Ų5611%0.11430%0.303CS..Hα-helixtrans-62.3-44.9174.2170.8-99.7000111.1K304 T307 D308 M396 I416 S421 S422 S423K304-Y419 HydrophobicContact CG-CD1 4.39Å; K304-Y419 HydrophobicContact CG-CG 4.3Å; T307-Y419 HydrophobicContact CG2-CE1 3.95Å; D308-Y419 VanDerWaalsContact CA-OH 3.26Å; D308-Y419 WeakPolarHBondContact CA-OH 3.43Å; D308-Y419 HydrophobicContact CB-CE2 4.17Å; D308-Y419 PolarHBondContact N-OH 2.9Å; M396-Y419 HydrophobicContact CE-CD1 3.82Å; M396-Y419 HydrophobicContact CE-CE1 3.79Å; I416-Y419 HydrophobicContact CG2-CD1 4.43Å; I416-Y419 WeakPolarHBondContact O-CA 3.31Å; I416-Y419 WeakPolarHBondContact O-CB 3.12Å; I416-Y419 PolarHBondContact O-N 3.47Å; Y419-S421 VanDerWaalsContact C-N 3.31Å; Y419-S421 PolarHBondContact O-N 3.15Å; Y419-S422 PolarHBondContact O-N 2.82Å; Y419-S422 PolarHBondContact O-OG 3.36Å; Y419-S423 WeakPolarHBondContact CE2-OG 3.05Å; Y419-S423 WeakPolarHBondContact O-CB 3.43Å; Y419-S423 PolarHBondContact O-N 2.94Å; Y419-S423 PolarHBondContact O-OG 2.95Å; Y419-S423 VanDerWaalsContact O-OG 3.12Å; Y419-S423 PolarHBondContact OH-OG 2.78Å
420L91.4Very high87Confident0 Ų049.5 Ų49.50%027%0.268CS..Hα-helixtrans-59.8-41.7178-64.5176.1000112.2M396 H399 A400 M405 F406 I416 N417 S423 H424M396-L420 HydrophobicContact CE-CD2 4.48Å; H399-L420 HydrophobicContact CB-CD1 4.1Å; H399-L420 HydrophobicContact CB-CD2 4.15Å; A400-L420 HydrophobicContact CB-CD2 4.01Å; M405-L420 HydrophobicContact SD-CB 4.22Å; F406-L420 HydrophobicContact CD2-CD1 3.83Å; F406-L420 HydrophobicContact CE2-CD1 3.83Å; I416-L420 HydrophobicContact CG2-CD1 4.36Å; I416-L420 HydrophobicContact CG2-CD2 4.34Å; I416-L420 HydrophobicContact CG2-CG 4.03Å; I416-L420 PolarHBondContact O-N 2.77Å; N417-L420 PolarHBondContact O-N 3.5Å; L420-S423 PolarHBondContact O-N 2.88Å; L420-H424 WeakPolarHBondContact O-CB 3.47Å; L420-H424 PolarHBondContact O-N 3.21Å
421S89.9Confident87.7Confident49 Ų4946.9 Ų46.934%0.34325%0.254SS..Hα-helixtrans-62-46.1178-56.20000111.5M405 N417 E418 Y419 H424 Q425M405-S421 WeakPolarHBondContact CE-OG 3.48Å; N417-S421 PolarHBondContact O-N 3.42Å; N417-S421 PolarHBondContact O-OG 3.33Å; E418-S421 PolarHBondContact O-N 2.85Å; Y419-S421 VanDerWaalsContact C-N 3.31Å; Y419-S421 PolarHBondContact O-N 3.15Å; S421-H424 PolarHBondContact O-N 2.95Å; S421-Q425 PolarHBondContact O-N 2.99Å
422S91.6Very high88.4Confident58 Ų5847.7 Ų47.741%0.40625%0.25SC..Hα-helixtrans-67.8-40.2178.169.70000112.6E418 Y419 H424 Q425 K426E418-S422 PolarHBondContact O-N 3.44Å; E418-S422 VanDerWaalsContact O-N 3.11Å; Y419-S422 PolarHBondContact O-N 2.82Å; Y419-S422 PolarHBondContact O-OG 3.36Å; S422-H424 VanDerWaalsContact C-N 3.34Å; S422-Q425 PolarHBondContact O-N 2.98Å; S422-K426 PolarHBondContact O-N 3.45Å
423S92.3Very high89Confident0 Ų048.5 Ų48.50%026%0.26CS..Hα-helixtrans-66.8-33.9175.7-68.70000112.7L311 Y419 L420 Q425 K426 F427L311-S423 WeakPolarHBondContact CD2-OG 3.47Å; Y419-S423 WeakPolarHBondContact CE2-OG 3.05Å; Y419-S423 WeakPolarHBondContact O-CB 3.43Å; Y419-S423 PolarHBondContact O-N 2.94Å; Y419-S423 PolarHBondContact O-OG 2.95Å; Y419-S423 VanDerWaalsContact O-OG 3.12Å; Y419-S423 PolarHBondContact OH-OG 2.78Å; L420-S423 PolarHBondContact O-N 2.88Å; S423-Q425 VanDerWaalsContact C-N 3.33Å; S423-Q425 PolarHBondContact O-N 2.79Å; S423-K426 WeakPolarHBondContact O-CB 3.38Å; S423-K426 PolarHBondContact O-N 2.79Å; S423-F427 PolarHBondContact O-N 2.97Å
424H91.6Very high89.4Confident6 Ų648.2 Ų48.23%0.02826%0.258CS..Hα-helixtrans-61.6-41.5175.1-177.561000111.7D346 A400 N403 L420 S421 S422 K426 F427 R428D346-H424 IonicContact OD1-NE2 3.62Å; A400-H424 WeakPolarHBondContact O-CA 3.29Å; A400-H424 WeakPolarHBondContact O-CB 3.49Å; A400-H424 PolarHBondContact O-ND1 3Å; N403-H424 HydrophobicContact CB-CB 4.46Å; N403-H424 VanDerWaalsContact CG-CD2 3.49Å; L420-H424 WeakPolarHBondContact O-CB 3.47Å; L420-H424 PolarHBondContact O-N 3.21Å; S421-H424 PolarHBondContact O-N 2.95Å; S422-H424 VanDerWaalsContact C-N 3.34Å; H424-K426 VanDerWaalsContact C-N 3.31Å; H424-K426 PolarHBondContact O-N 3.4Å; H424-F427 WeakPolarHBondContact O-CB 3.4Å; H424-F427 PolarHBondContact O-N 3.19Å; H424-R428 WeakPolarHBondContact O-CB 3.5Å; H424-R428 PolarHBondContact O-N 3.32Å
425Q91.4Very high89.9Confident110 Ų11044.9 Ų44.951%0.51424%0.241SC..Hα-helixtrans-62-39.6176.5-65.7-59.9-28.400112.1S421 S422 S423 R428 S429S421-Q425 PolarHBondContact O-N 2.99Å; S422-Q425 PolarHBondContact O-N 2.98Å; S423-Q425 VanDerWaalsContact C-N 3.33Å; S423-Q425 PolarHBondContact O-N 2.79Å; Q425-R428 PolarHBondContact O-N 3.16Å; Q425-S429 PolarHBondContact O-N 3.41Å; Q425-S429 VanDerWaalsContact O-N 3.1Å
426K91.6Very high90.3Very high89 Ų8947.4 Ų47.439%0.38725%0.251SS..Hα-helixtrans-62.6-47.2173.8-61.4-179.9-176.21760111.4D308 L311 I315 S422 S423 H424 R428 S429 E430D308-K426 IonicContact OD1-NZ 3.88Å; L311-K426 HydrophobicContact CD2-CD 4.12Å; I315-K426 HydrophobicContact CD1-CB 3.7Å; I315-K426 HydrophobicContact CD1-CD 4.18Å; S422-K426 PolarHBondContact O-N 3.45Å; S423-K426 WeakPolarHBondContact O-CB 3.38Å; S423-K426 PolarHBondContact O-N 2.79Å; H424-K426 VanDerWaalsContact C-N 3.31Å; H424-K426 PolarHBondContact O-N 3.4Å; K426-R428 VanDerWaalsContact C-N 3.31Å; K426-R428 PolarHBondContact O-N 3.13Å; K426-S429 PolarHBondContact O-N 3.37Å; K426-E430 PolarHBondContact O-N 3.49Å
427F89.9Confident90.6Very high6 Ų647.8 Ų47.83%0.02625%0.253CS..Hα-helixtrans-58.6-41.1174.7-94-61.3000112.5L311 I314 Y357 L397 A400 A401 S423 H424 E430 I431L311-F427 HydrophobicContact CD1-CD1 4.27Å; L311-F427 HydrophobicContact CD1-CD2 3.68Å; L311-F427 HydrophobicContact CD1-CE1 3.97Å; L311-F427 HydrophobicContact CD1-CE2 3.35Å; L311-F427 HydrophobicContact CD1-CG 4.13Å; L311-F427 HydrophobicContact CD1-CZ 3.51Å; I314-F427 HydrophobicContact CG2-CE1 4.42Å; Y357-F427 HydrophobicContact CD2-CE1 4.19Å; Y357-F427 HydrophobicContact CD2-CZ 4.14Å; Y357-F427 HydrophobicContact CE2-CZ 4.44Å; Y357-F427 HydrophobicContact CG-CE1 4.46Å; L397-F427 HydrophobicContact CD2-CE2 4.28Å; L397-F427 HydrophobicContact CD2-CZ 4.19Å; A400-F427 HydrophobicContact CB-CD2 4.04Å; A400-F427 HydrophobicContact CB-CE2 3.9Å; A401-F427 HydrophobicContact CB-CD2 4.39Å; A401-F427 HydrophobicContact CB-CE2 4.33Å; A401-F427 HydrophobicContact CB-CZ 4.48Å; S423-F427 PolarHBondContact O-N 2.97Å; H424-F427 WeakPolarHBondContact O-CB 3.4Å; H424-F427 PolarHBondContact O-N 3.19Å; F427-E430 WeakPolarHBondContact O-CB 3.33Å; F427-E430 PolarHBondContact O-N 3.34Å; F427-I431 WeakPolarHBondContact O-CD1 3.33Å; F427-I431 VanDerWaalsContact O-CG1 3.24Å; F427-I431 WeakPolarHBondContact O-CG1 3.33Å; F427-I431 PolarHBondContact O-N 2.87Å
428R90.3Very high90.6Very high81 Ų8150 Ų5031%0.30627%0.269SS..Hα-helixtrans-61.5-50.1179.6-175-178.7167.5-97.6-9111.4E345 L349 H424 Q425 K426 E430 I431 L432E345-R428 IonicContact OE2-NH2 3.52Å; E345-R428 PolarHBondContact OE2-NH2 3.22Å; E345-R428 VanDerWaalsContact OE2-NH2 3.09Å; L349-R428 HydrophobicContact CD1-CG 3.54Å; H424-R428 WeakPolarHBondContact O-CB 3.5Å; H424-R428 PolarHBondContact O-N 3.32Å; Q425-R428 PolarHBondContact O-N 3.16Å; K426-R428 VanDerWaalsContact C-N 3.31Å; K426-R428 PolarHBondContact O-N 3.13Å; R428-E430 PolarHBondContact O-N 3.24Å; R428-I431 PolarHBondContact O-N 2.95Å; R428-L432 PolarHBondContact O-N 3.11Å
429S90.3Very high90.6Very high84 Ų8443.8 Ų43.859%0.58724%0.244SC*.Hα-helixtrans-57.3-38.1175.3-173.80000111.2Q425 K426 S433Q425-S429 PolarHBondContact O-N 3.41Å; Q425-S429 VanDerWaalsContact O-N 3.1Å; K426-S429 PolarHBondContact O-N 3.37Å; S429-S433 PolarHBondContact O-N 2.99Å
430E88Confident90.4Very high21 Ų2142.6 Ų42.610%0.09824%0.239CC..Hα-helixtrans-70.1-48.4-178.8-176.26090.600113.2I315 V318 K426 F427 R428 L432 S433 A434I315-E430 VanDerWaalsContact C-OE1 3.26Å; I315-E430 WeakPolarHBondContact CA-OE1 3.45Å; I315-E430 WeakPolarHBondContact CG2-OE1 3.26Å; V318-E430 VanDerWaalsContact CG1-OE2 3.32Å; V318-E430 WeakPolarHBondContact CG1-OE2 3.47Å; V318-E430 HydrophobicContact CG2-CG 4.4Å; V318-E430 WeakPolarHBondContact CG2-OE1 3.29Å; V318-E430 WeakPolarHBondContact CG2-OE2 3.42Å; K426-E430 PolarHBondContact O-N 3.49Å; F427-E430 WeakPolarHBondContact O-CB 3.33Å; F427-E430 PolarHBondContact O-N 3.34Å; R428-E430 PolarHBondContact O-N 3.24Å; E430-L432 PolarHBondContact O-N 3.35Å; E430-S433 CarbonylContact O-C 3.54Å; E430-S433 WeakPolarHBondContact O-CB 3.44Å; E430-S433 PolarHBondContact O-N 3.33Å; E430-S433 WeakPolarHBondContact OE2-CB 3.49Å; E430-A434 WeakPolarHBondContact O-CB 3.48Å; E430-A434 PolarHBondContact O-N 3.05Å
431I89Confident89.8Confident10 Ų1046.7 Ų46.75%0.05126%0.258CS..Hα-helixtrans-59.7-35.3-179.7-67158.9000110.2L349 V352 G353 L356 F427 R428 A434 C435L349-I431 HydrophobicContact CD2-CB 4.39Å; L349-I431 HydrophobicContact CD2-CG2 3.79Å; V352-I431 HydrophobicContact CB-CG2 3.8Å; V352-I431 HydrophobicContact CG1-CG2 3.61Å; G353-I431 VanDerWaalsContact CA-CD1 3.43Å; L356-I431 HydrophobicContact CD1-CG2 4.48Å; F427-I431 WeakPolarHBondContact O-CD1 3.33Å; F427-I431 VanDerWaalsContact O-CG1 3.24Å; F427-I431 WeakPolarHBondContact O-CG1 3.33Å; F427-I431 PolarHBondContact O-N 2.87Å; R428-I431 PolarHBondContact O-N 2.95Å; I431-A434 PolarHBondContact O-N 3.22Å; I431-C435 PolarHBondContact O-N 3.45Å; I431-C435 VanDerWaalsContact O-N 3.15Å; I431-C435 PolarHBondContact O-SG 2.89Å
432L89.8Confident89.4Confident73 Ų7349.5 Ų49.538%0.38227%0.269SS..Hα-helixtrans-61.7-50.7173.8-16680.7000111.6E345 L349 R428 E430 A434 C435 D436E345-L432 WeakPolarHBondContact OE1-CD1 3.45Å; L349-L432 HydrophobicContact CD1-CD1 4.48Å; L349-L432 HydrophobicContact CD2-CD1 4.27Å; R428-L432 PolarHBondContact O-N 3.11Å; E430-L432 PolarHBondContact O-N 3.35Å; L432-A434 VanDerWaalsContact C-N 3.31Å; L432-A434 PolarHBondContact O-N 2.91Å; L432-C435 PolarHBondContact O-N 3.03Å; L432-C435 VanDerWaalsContact O-N 3.15Å; L432-D436 PolarHBondContact O-N 3.31Å
433S90.1Very high88.9Confident54 Ų5451.6 Ų51.638%0.37827%0.271SS..Hα-helixtrans-59.3-40.6175.5174.60000112.1R326 S429 E430 C435 D436R326-S433 PolarHBondContact NH2-O 3.17Å; S429-S433 PolarHBondContact O-N 2.99Å; E430-S433 CarbonylContact O-C 3.54Å; E430-S433 WeakPolarHBondContact O-CB 3.44Å; E430-S433 PolarHBondContact O-N 3.33Å; E430-S433 WeakPolarHBondContact OE2-CB 3.49Å; S433-C435 VanDerWaalsContact C-N 3.26Å; S433-C435 PolarHBondContact O-N 3.39Å; S433-D436 PolarHBondContact O-N 2.76Å; S433-D436 VanDerWaalsContact O-N 3.09Å
434A90.1Very high88Confident1 Ų152.1 Ų52.11%0.00827%0.273CS..Hα-helixtrans-61.9-32.517700000112.7V318 R326 L356 E430 I431 L432V318-A434 HydrophobicContact CG1-CB 3.98Å; R326-A434 VanDerWaalsContact CB-O 3.23Å; R326-A434 WeakPolarHBondContact CB-O 2.8Å; R326-A434 WeakPolarHBondContact CG-O 3.4Å; R326-A434 PolarHBondContact NE-O 2.89Å; L356-A434 HydrophobicContact CD1-CB 3.77Å; E430-A434 WeakPolarHBondContact O-CB 3.48Å; E430-A434 PolarHBondContact O-N 3.05Å; I431-A434 PolarHBondContact O-N 3.22Å; L432-A434 VanDerWaalsContact C-N 3.31Å; L432-A434 PolarHBondContact O-N 2.91Å
435C91.9Very high86.8Confident9 Ų955 Ų556%0.06129%0.289CS..Hα-helixtrans-78.8-18.4176.3-63.40000113.6K330 I431 L432 S433 V437K330-C435 HydrophobicContact CB-CB 4.49Å; K330-C435 WeakPolarHBondContact CB-O 3.46Å; I431-C435 PolarHBondContact O-N 3.45Å; I431-C435 VanDerWaalsContact O-N 3.15Å; I431-C435 PolarHBondContact O-SG 2.89Å; L432-C435 PolarHBondContact O-N 3.03Å; L432-C435 VanDerWaalsContact O-N 3.15Å; S433-C435 VanDerWaalsContact C-N 3.26Å; S433-C435 PolarHBondContact O-N 3.39Å; C435-V437 PolarHBondContact O-N 3.09Å
436D91.8Very high85.4Confident127 Ų12751.8 Ų51.868%0.67928%0.277SS*.  trans-77.789.9177.3-172.619.5000110.5R326 L432 S433R326-D436 PolarHBondContact NH2-O 2.91Å; L432-D436 PolarHBondContact O-N 3.31Å; S433-D436 PolarHBondContact O-N 2.76Å; S433-D436 VanDerWaalsContact O-N 3.09Å
437V92.5Very high83.6Confident9 Ų952.2 Ų52.26%0.05528%0.283CS..  trans-136.6149.8178.2-68.10000112.5Y323 R326 F327 K330 C435Y323-V437 HydrophobicContact CD2-CB 4.39Å; Y323-V437 HydrophobicContact CE2-CB 4.06Å; Y323-V437 HydrophobicContact CE2-CG2 4.38Å; R326-V437 HydrophobicContact CB-CG1 3.64Å; R326-V437 HydrophobicContact CG-CG1 4.44Å; F327-V437 HydrophobicContact CB-CG2 4.3Å; K330-V437 HydrophobicContact CB-CG2 4.24Å; K330-V437 HydrophobicContact CD-CG2 3.95Å; K330-V437 PolarHBondContact NZ-O 3.05Å; C435-V437 PolarHBondContact O-N 3.09Å
438P90.2Very high81.3Confident71 Ų7160.6 Ų60.646%0.46132%0.323SS..  trans-58.9157.3174.3-22.933000112.9Y323 D442Y323-P438 PolarHBondContact OH-O 2.95Å; P438-D442 HydrophobicContact CB-CB 4.03Å
439S88.6Confident78.9Confident33 Ų3362.4 Ų62.423%0.23133%0.33CS..  trans-60.1165.9171.973.80000111.7Y323 E441 D442 K443Y323-S439 PolarHBondContact OH-O 3.41Å; Y323-S439 VanDerWaalsContact OH-O 3.13Å; S439-E441 VanDerWaalsContact C-N 3.28Å; S439-E441 PolarHBondContact O-N 2.85Å; S439-D442 PolarHBondContact O-N 3.25Å; S439-D442 WeakPolarHBondContact OG-CB 3.48Å; S439-D442 PolarHBondContact OG-N 3.36Å; S439-D442 VanDerWaalsContact OG-N 3.13Å; S439-D442 PolarHBondContact OG-OD2 2.93Å; S439-K443 VanDerWaalsContact O-CB 3.3Å; S439-K443 WeakPolarHBondContact O-CB 3.34Å; S439-K443 PolarHBondContact O-N 3.1Å
440L85.6Confident76.6Confident3 Ų359.2 Ų59.22%0.01631%0.308CS..Hα-helixtrans-63.1-41.8176.7-70.2175.1000110.2Y185 L188 K189 Y323 F327 D442 K443 F444Y185-L440 HydrophobicContact CD2-CB 3.99Å; Y185-L440 HydrophobicContact CE2-CB 3.72Å; L188-L440 HydrophobicContact CB-CD1 4.39Å; L188-L440 HydrophobicContact CB-CD2 3.76Å; L188-L440 HydrophobicContact CD1-CD2 3.89Å; L188-L440 HydrophobicContact CG-CD2 4.48Å; K189-L440 HydrophobicContact CB-CD1 4.34Å; Y323-L440 HydrophobicContact CE1-CD2 3.9Å; F327-L440 HydrophobicContact CD1-CD2 3.88Å; F327-L440 HydrophobicContact CD1-CG 4.36Å; F327-L440 HydrophobicContact CD2-CD2 4.28Å; F327-L440 HydrophobicContact CD2-CG 4.38Å; F327-L440 HydrophobicContact CE1-CD1 3.72Å; F327-L440 HydrophobicContact CE1-CD2 3.71Å; F327-L440 HydrophobicContact CE1-CG 3.73Å; F327-L440 HydrophobicContact CE2-CD1 4.43Å; F327-L440 HydrophobicContact CE2-CD2 4.13Å; F327-L440 HydrophobicContact CE2-CG 3.76Å; F327-L440 HydrophobicContact CG-CD2 4.16Å; F327-L440 HydrophobicContact CZ-CD1 3.59Å; F327-L440 HydrophobicContact CZ-CD2 3.85Å; F327-L440 HydrophobicContact CZ-CG 3.4Å; L440-D442 PolarHBondContact O-N 3.35Å; L440-K443 PolarHBondContact O-N 3.31Å; L440-F444 HydrophobicContact CD2-CD2 4.28Å; L440-F444 HydrophobicContact CD2-CE2 3.93Å; L440-F444 WeakPolarHBondContact O-CB 3.44Å; L440-F444 VanDerWaalsContact O-CD2 3.25Å; L440-F444 WeakPolarHBondContact O-CD2 3.36Å; L440-F444 PolarHBondContact O-N 3.23Å
441E80Confident74.3Confident87 Ų8763 Ų6341%0.40733%0.329SS..Hα-helixtrans-59.3-48.6-179.7-63.669-149.700110.4S439 N445 V446S439-E441 VanDerWaalsContact C-N 3.28Å; S439-E441 PolarHBondContact O-N 2.85Å; E441-N445 VanDerWaalsContact O-CA 3.25Å; E441-N445 WeakPolarHBondContact O-CA 3.41Å; E441-N445 PolarHBondContact O-N 3.27Å; E441-V446 PolarHBondContact O-N 3.33Å; E441-V446 VanDerWaalsContact O-N 3.14Å
442D80.4Confident71.7Confident108 Ų10867.5 Ų67.558%0.57835%0.352SS*.Hα-helixtrans-67.3-45.2179.3-60.1-39.8000112.1P438 S439 L440 F444 N445P438-D442 HydrophobicContact CB-CB 4.03Å; S439-D442 PolarHBondContact O-N 3.25Å; S439-D442 WeakPolarHBondContact OG-CB 3.48Å; S439-D442 PolarHBondContact OG-N 3.36Å; S439-D442 VanDerWaalsContact OG-N 3.13Å; S439-D442 PolarHBondContact OG-OD2 2.93Å; L440-D442 PolarHBondContact O-N 3.35Å; D442-F444 PolarHBondContact O-N 2.83Å; D442-N445 PolarHBondContact O-N 3.12Å; D442-N445 PolarHBondContact O-ND2 3.32Å
443K81.4Confident69.1Low101 Ų10166.4 Ų66.444%0.43935%0.349SS..Hα-helixtrans-62.5-46.3-177.7178.163.7174.2-175.70111.2Y323 S439 L440 N445Y323-K443 HydrophobicContact CD1-CG 3.9Å; Y323-K443 HydrophobicContact CD2-CD 3.86Å; Y323-K443 HydrophobicContact CD2-CG 3.91Å; Y323-K443 HydrophobicContact CE1-CB 4.07Å; Y323-K443 HydrophobicContact CE1-CG 3.7Å; Y323-K443 HydrophobicContact CE2-CB 3.84Å; Y323-K443 HydrophobicContact CE2-CD 3.96Å; Y323-K443 HydrophobicContact CE2-CG 3.69Å; Y323-K443 HydrophobicContact CG-CD 4.17Å; Y323-K443 HydrophobicContact CG-CG 4Å; S439-K443 VanDerWaalsContact O-CB 3.3Å; S439-K443 WeakPolarHBondContact O-CB 3.34Å; S439-K443 PolarHBondContact O-N 3.1Å; L440-K443 PolarHBondContact O-N 3.31Å; K443-N445 VanDerWaalsContact C-N 3.34Å; K443-N445 PolarHBondContact O-ND2 3.41Å
444F74.3Confident67Low11 Ų1167 Ų675%0.04835%0.35CS..Hα-helixtrans-86.5-11.3-175.6-69.2-89.8000112.3Q181 E184 Y185 L188 Y323 L440 D442 V446 R662Q181-F444 HydrophobicContact CG-CD1 3.38Å; Q181-F444 HydrophobicContact CG-CE1 3.85Å; Q181-F444 PolarHBondContact NE2-O 2.95Å; E184-F444 HydrophobicContact CB-CE1 4.01Å; E184-F444 HydrophobicContact CB-CZ 4.23Å; E184-F444 HydrophobicContact CG-CE1 4.04Å; E184-F444 HydrophobicContact CG-CZ 3.83Å; Y185-F444 HydrophobicContact CD2-CB 4.13Å; Y185-F444 AromaticContact CD2-CD2 3.94Å; Y185-F444 HydrophobicContact CD2-CD2 3.94Å; Y185-F444 HydrophobicContact CD2-CG 4.06Å; Y185-F444 HydrophobicContact CG-CG 4.49Å; L188-F444 HydrophobicContact CD1-CE2 3.84Å; L188-F444 HydrophobicContact CD1-CZ 3.85Å; Y323-F444 HydrophobicContact CD1-CE2 4.2Å; Y323-F444 AromaticContact CE1-CE2 3.76Å; Y323-F444 HydrophobicContact CE1-CE2 3.76Å; Y323-F444 HydrophobicContact CE1-CZ 4.49Å; L440-F444 HydrophobicContact CD2-CD2 4.28Å; L440-F444 HydrophobicContact CD2-CE2 3.93Å; L440-F444 WeakPolarHBondContact O-CB 3.44Å; L440-F444 VanDerWaalsContact O-CD2 3.25Å; L440-F444 WeakPolarHBondContact O-CD2 3.36Å; L440-F444 PolarHBondContact O-N 3.23Å; D442-F444 PolarHBondContact O-N 2.83Å; F444-V446 HydrophobicContact CB-CG2 3.56Å; F444-V446 PolarHBondContact O-N 2.82Å; F444-R662 PolarHBondContact O-NH1 2.93Å
445N65.8Low64.9Low66 Ų6669.3 Ų69.335%0.35336%0.364SS..THydrogen-bonded Turntrans51.746.3-172.2-54.7-115.2000110E441 D442 K443 D447 R662E441-N445 VanDerWaalsContact O-CA 3.25Å; E441-N445 WeakPolarHBondContact O-CA 3.41Å; E441-N445 PolarHBondContact O-N 3.27Å; D442-N445 PolarHBondContact O-N 3.12Å; D442-N445 PolarHBondContact O-ND2 3.32Å; K443-N445 VanDerWaalsContact C-N 3.34Å; K443-N445 PolarHBondContact O-ND2 3.41Å; N445-D447 PolarHBondContact O-N 3.38Å; N445-R662 PolarHBondContact ND2-NH2 3.47Å
446V61.7Low63.1Low43 Ų4370.1 Ų70.126%0.26137%0.369SS..  trans-88.590.8178179.30000106.4Y185 E441 F444 S450Y185-V446 HydrophobicContact CD2-CG2 4.18Å; Y185-V446 HydrophobicContact CE2-CG2 4.39Å; Y185-V446 HydrophobicContact CG-CG2 4.35Å; E441-V446 PolarHBondContact O-N 3.33Å; E441-V446 VanDerWaalsContact O-N 3.14Å; F444-V446 HydrophobicContact CB-CG2 3.56Å; F444-V446 PolarHBondContact O-N 2.82Å; V446-S450 WeakPolarHBondContact CA-OG 3.31Å
447D54.6Low61.9Low98 Ų9869.4 Ų69.452%0.52436%0.36SS..  trans-72.3161165.7-62.7-23.8000108.5N445 Y449 S450N445-D447 PolarHBondContact O-N 3.38Å; D447-Y449 PolarHBondContact O-N 2.77Å; D447-S450 PolarHBondContact N-OG 2.71Å; D447-S450 WeakPolarHBondContact O-CB 3.49Å; D447-S450 PolarHBondContact O-N 3.39Å; D447-S450 PolarHBondContact O-OG 3.34Å
448Q40.3Very low61Low183 Ų18370.3 Ų70.386%0.85537%0.366SS*.THydrogen-bonded Turntrans-53.1-4.6176.2-66.9178.5-0.400114.8
449Y40.4Very low60.4Low118 Ų11868.9 Ų68.946%0.46336%0.356SS..THydrogen-bonded Turntrans-113.91.8-176.8-56.4-76.4000114D447 D451 L452D447-Y449 PolarHBondContact O-N 2.77Å; Y449-D451 PolarHBondContact O-N 3.33Å; Y449-L452 HydrophobicContact CD1-CD1 4.48Å; Y449-L452 WeakPolarHBondContact O-CB 2.98Å; Y449-L452 PolarHBondContact O-N 3.48Å
450S41.6Very low60.1Low17 Ų1767.3 Ų67.312%0.11935%0.345CS..Hα-helixtrans-70.6-32.5-168.8-580000114.8V446 D447 L452 V453V446-S450 WeakPolarHBondContact CA-OG 3.31Å; D447-S450 PolarHBondContact N-OG 2.71Å; D447-S450 WeakPolarHBondContact O-CB 3.49Å; D447-S450 PolarHBondContact O-N 3.39Å; D447-S450 PolarHBondContact O-OG 3.34Å; S450-L452 PolarHBondContact O-N 3Å; S450-V453 PolarHBondContact O-N 2.78Å
451D40.6Very low59.8Low101 Ų10168.6 Ų68.654%0.5435%0.35SS..Hα-helixtrans-68.2-18.7176.3-74.8-35.1000112.6Y449 T454Y449-D451 PolarHBondContact O-N 3.33Å; D451-T454 PolarHBondContact O-OG1 2.97Å
452L34.2Very low59.9Low104 Ų10464.5 Ų64.555%0.54533%0.33SS..Hα-helixtrans-86.5-18.9177.6-65.2161.8000112.9Y449 S450 L551Y449-L452 HydrophobicContact CD1-CD1 4.48Å; Y449-L452 WeakPolarHBondContact O-CB 2.98Å; Y449-L452 PolarHBondContact O-N 3.48Å; S450-L452 PolarHBondContact O-N 3Å; L452-L551 HydrophobicContact CB-CD1 4.43Å; L452-L551 HydrophobicContact CD1-CD1 4.49Å
453V35.4Very low60Low51 Ų5160 Ų6031%0.30931%0.308SS..Hα-helixtrans-93.6-14.8-178.7-167.30000111.7S450 V455 Y659S450-V453 PolarHBondContact O-N 2.78Å; V453-V455 PolarHBondContact O-N 3.04Å; V453-Y659 HydrophobicContact CB-CE2 4.27Å; V453-Y659 HydrophobicContact CG1-CD2 4.1Å; V453-Y659 HydrophobicContact CG1-CE2 3.57Å
454T47Very low60Low66 Ų6655.4 Ų55.441%0.40529%0.288SS..  trans-67.7104.5169.641.90000109.7D451 T456D451-T454 PolarHBondContact O-OG1 2.97Å; T454-T456 PolarHBondContact O-N 3.42Å
455V45.5Very low60.3Low50 Ų5055.6 Ų55.630%0.30329%0.293SS..SBendtrans-58.7-17.4-178.6-177.70000112.5V453 Q605V453-V455 PolarHBondContact O-N 3.04Å; V455-Q605 HydrophobicContact CG1-CG 4.39Å
456T53.8Low61.2Low26 Ų2653.3 Ų53.316%0.1628%0.28CS..SBendtrans-125.2131.1-167.649.30000110.7E51 M55 T454E51-T456 HydrophobicContact CG-CG2 4.24Å; E51-T456 PolarHBondContact OE1-OG1 3.45Å; M55-T456 HydrophobicContact CE-CG2 3.17Å; T454-T456 PolarHBondContact O-N 3.42Å
457K66Low62.4Low111 Ų11151.3 Ų51.348%0.48327%0.268SS..  trans-61.2140.4174.2-70.8-179.2173.4-172.90109.5V459 T529 T531K457-V459 PolarHBondContact O-N 3.43Å; K457-T529 HydrophobicContact CB-CG2 3.38Å; K457-T529 HydrophobicContact CD-CG2 3.7Å; K457-T529 HydrophobicContact CG-CG2 4.18Å; K457-T531 HydrophobicContact CD-CG2 3.71Å
458P74.3Confident63.9Low29 Ų2947.5 Ų47.519%0.18825%0.247CC..  trans-63133.9178.316.1-18.7000110.2Y142 T529 L530Y142-P458 HydrophobicContact CD2-CG 4.22Å; Y142-P458 HydrophobicContact CE2-CG 4.13Å; P458-T529 CarbonylContact O-C 3.58Å; P458-L530 HydrophobicContact CB-CB 4.34Å; P458-L530 HydrophobicContact CG-CB 4.03Å; P458-L530 WeakPolarHBondContact O-CB 3.2Å; P458-L530 PolarHBondContact O-N 3.39Å
459V76.7Confident66Low40 Ų4042 Ų4224%0.24222%0.224CC..EExtended strand (participates in β ladder)trans-116.9132178.4179.60000108.5N176 K457 Y461 L528 T529N176-V459 PolarHBondContact ND2-O 3.01Å; K457-V459 PolarHBondContact O-N 3.43Å; V459-Y461 HydrophobicContact CG1-CE1 4.32Å; V459-Y461 HydrophobicContact CG1-CE2 4.5Å; V459-L528 CarbonylContact C-O 3.56Å; V459-L528 VanDerWaalsContact CA-O 3.29Å; V459-L528 WeakPolarHBondContact CA-O 3.4Å; V459-T529 HydrophobicContact CG2-CG2 4.38Å
460I82.8Confident68.2Low1 Ų136.5 Ų36.51%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-108145.4169.164.1169.2000110.7F141 L174 N176 I462 S527 L528 L530F141-I460 HydrophobicContact CB-CD1 3.89Å; F141-I460 HydrophobicContact CD2-CD1 3.5Å; F141-I460 HydrophobicContact CE2-CD1 4.24Å; F141-I460 HydrophobicContact CG-CD1 3.89Å; L174-I460 HydrophobicContact CD2-CD1 4.44Å; N176-I460 WeakPolarHBondContact OD1-CA 3.19Å; I460-I462 HydrophobicContact CD1-CB 4.44Å; I460-I462 HydrophobicContact CD1-CG2 4.09Å; I460-I462 HydrophobicContact CG1-CG2 4.37Å; I460-S527 WeakPolarHBondContact O-CA 3.3Å; I460-L528 HydrophobicContact CD1-CB 4.41Å; I460-L528 HydrophobicContact CD1-CD1 4.37Å; I460-L528 HydrophobicContact CG1-CB 3.82Å; I460-L528 PolarHBondContact N-O 2.9Å; I460-L528 PolarHBondContact O-N 3.21Å; I460-L530 HydrophobicContact CD1-CD2 3.85Å; I460-L530 HydrophobicContact CG1-CD2 3.84Å; I460-L530 HydrophobicContact CG1-CG 4.23Å; I460-L530 HydrophobicContact CG2-CD1 3.56Å; I460-L530 HydrophobicContact CG2-CD2 4.46Å; I460-L530 HydrophobicContact CG2-CG 4.04Å
461Y80.3Confident70.6Confident30 Ų3035.8 Ų35.812%0.11820%0.197CC..EExtended strand (participates in β ladder)trans-105.8114.1172-56.2-82.8000106.9E59 V62 R66 N176 V459E59-Y461 HydrophobicContact CB-CE1 3.97Å; E59-Y461 HydrophobicContact CB-CE2 4.33Å; E59-Y461 HydrophobicContact CG-CD1 4.18Å; E59-Y461 HydrophobicContact CG-CE1 3.58Å; V62-Y461 HydrophobicContact CB-CD2 4.37Å; V62-Y461 HydrophobicContact CG1-CD2 4.35Å; V62-Y461 HydrophobicContact CG2-CD2 4.43Å; R66-Y461 VanDerWaalsContact CZ-O 3.27Å; R66-Y461 PolarHBondContact NH1-O 3.4Å; R66-Y461 VanDerWaalsContact NH1-O 3.07Å; R66-Y461 PolarHBondContact NH2-O 2.95Å; N176-Y461 PolarHBondContact OD1-N 3.4Å; N176-Y461 VanDerWaalsContact OD1-N 3.13Å; V459-Y461 HydrophobicContact CG1-CE1 4.32Å; V459-Y461 HydrophobicContact CG1-CE2 4.5Å
462I81.2Confident72.9Confident0 Ų033.2 Ų33.20%019%0.185CC..EExtended strand (participates in β ladder)trans-140143.9-173.5-173.6166.1000109.8F141 T173 L174 I460 E466 I467 V526 L528F141-I462 HydrophobicContact CE2-CD1 4.14Å; F141-I462 HydrophobicContact CZ-CD1 4.02Å; T173-I462 HydrophobicContact CG2-CB 3.92Å; T173-I462 HydrophobicContact CG2-CD1 3.99Å; T173-I462 HydrophobicContact CG2-CG1 3.66Å; L174-I462 HydrophobicContact CD2-CD1 4.43Å; I460-I462 HydrophobicContact CD1-CB 4.44Å; I460-I462 HydrophobicContact CD1-CG2 4.09Å; I460-I462 HydrophobicContact CG1-CG2 4.37Å; I462-E466 HydrophobicContact CD1-CB 3.9Å; I462-E466 HydrophobicContact CG1-CB 3.56Å; I462-I467 HydrophobicContact CD1-CG1 3.87Å; I462-I467 HydrophobicContact CG1-CG1 3.94Å; I462-I467 HydrophobicContact CG2-CD1 3.91Å; I462-I467 HydrophobicContact CG2-CG1 3.81Å; I462-V526 PolarHBondContact N-O 2.89Å; I462-V526 PolarHBondContact O-N 3.19Å; I462-L528 HydrophobicContact CG2-CD1 3.78Å; I462-L528 HydrophobicContact CG2-CG 4.23Å
463S82.4Confident75.4Confident15 Ų1529.3 Ų29.311%0.10517%0.165CC..EExtended strand (participates in β ladder)trans-80.9154.7174.466.20000111.9G465 E466 I467 T524S463-G465 PolarHBondContact O-N 2.53Å; S463-E466 WeakPolarHBondContact CB-OE2 3.42Å; S463-E466 PolarHBondContact N-OE2 3.42Å; S463-E466 PolarHBondContact O-N 3.34Å; S463-E466 VanDerWaalsContact O-N 3.12Å; S463-E466 WeakPolarHBondContact OG-CB 3.46Å; S463-E466 VanDerWaalsContact OG-CD 3.23Å; S463-E466 WeakPolarHBondContact OG-CG 3.46Å; S463-E466 PolarHBondContact OG-N 2.91Å; S463-E466 PolarHBondContact OG-OE2 2.99Å; S463-I467 WeakPolarHBondContact O-CG1 3.45Å; S463-I467 PolarHBondContact O-N 3.23Å; S463-T524 VanDerWaalsContact CA-O 3.28Å; S463-T524 WeakPolarHBondContact CA-O 3.34Å
464I80.6Confident77.9Confident4 Ų426.9 Ų26.92%0.02115%0.15CC..Hα-helixtrans-58.3-39.2176.5-59.3-44.5000112E466 I467 I468 V502 L505 I506 T524 V526I464-E466 PolarHBondContact O-N 3.06Å; I464-I467 HydrophobicContact CD1-CD1 4.17Å; I464-I467 PolarHBondContact O-N 2.99Å; I464-I468 HydrophobicContact CG2-CD1 3.88Å; I464-I468 WeakPolarHBondContact O-CG1 3.5Å; I464-I468 PolarHBondContact O-N 3.48Å; I464-I468 VanDerWaalsContact O-N 3.08Å; I464-V502 HydrophobicContact CG2-CG1 4.24Å; I464-L505 HydrophobicContact CD1-CD2 3.63Å; I464-L505 HydrophobicContact CG1-CD2 4.5Å; I464-L505 HydrophobicContact CG2-CB 3.92Å; I464-L505 HydrophobicContact CG2-CD2 3.97Å; I464-I506 HydrophobicContact CG1-CD1 4.2Å; I464-I506 HydrophobicContact CG1-CG1 3.93Å; I464-I506 HydrophobicContact CG2-CG1 4.46Å; I464-T524 PolarHBondContact N-O 2.79Å; I464-V526 HydrophobicContact CD1-CB 4.32Å; I464-V526 HydrophobicContact CD1-CG2 3.42Å; I464-V526 VanDerWaalsContact CD1-CG2 3.42Å; I464-V526 HydrophobicContact CG1-CG2 4.33Å
465G81.8Confident80Confident15 Ų1526.7 Ų26.716%0.15515%0.146CC..Hα-helixtrans-61.5-42.6175.300000112.6S463 I468 N469 G522S463-G465 PolarHBondContact O-N 2.53Å; G465-I468 PolarHBondContact O-N 3.41Å; G465-N469 WeakPolarHBondContact O-CB 3.46Å; G465-N469 PolarHBondContact O-N 2.81Å; G465-N469 PolarHBondContact O-ND2 2.84Å; G465-G522 PolarHBondContact N-O 2.88Å
466E84.4Confident82.1Confident18 Ų1829.5 Ų29.58%0.08416%0.16CC..Hα-helixtrans-64.8-38.9176.2-73.5165.2133.500112.2S169 T173 I462 S463 I464 T470S169-E466 PolarHBondContact OG-OE1 3.43Å; T173-E466 WeakPolarHBondContact CB-OE1 3.25Å; T173-E466 PolarHBondContact OG1-OE1 3.22Å; I462-E466 HydrophobicContact CD1-CB 3.9Å; I462-E466 HydrophobicContact CG1-CB 3.56Å; S463-E466 WeakPolarHBondContact CB-OE2 3.42Å; S463-E466 PolarHBondContact N-OE2 3.42Å; S463-E466 PolarHBondContact O-N 3.34Å; S463-E466 VanDerWaalsContact O-N 3.12Å; S463-E466 WeakPolarHBondContact OG-CB 3.46Å; S463-E466 VanDerWaalsContact OG-CD 3.23Å; S463-E466 WeakPolarHBondContact OG-CG 3.46Å; S463-E466 PolarHBondContact OG-N 2.91Å; S463-E466 PolarHBondContact OG-OE2 2.99Å; I464-E466 PolarHBondContact O-N 3.06Å; E466-T470 VanDerWaalsContact O-CB 3.3Å; E466-T470 WeakPolarHBondContact O-CB 3.47Å; E466-T470 PolarHBondContact O-N 3.25Å; E466-T470 PolarHBondContact O-OG1 3.47Å
467I87.1Confident83.7Confident0 Ų030.5 Ų30.50%016%0.162CC..Hα-helixtrans-58.4-52.5174.8-65.6176.6000110.3Y137 F141 I462 S463 I464 N469 T470 H471 L505 L528Y137-I467 HydrophobicContact CD1-CG2 3.6Å; Y137-I467 HydrophobicContact CD2-CG2 3.86Å; Y137-I467 HydrophobicContact CE1-CG2 3.37Å; Y137-I467 HydrophobicContact CE2-CG2 3.64Å; Y137-I467 HydrophobicContact CG-CG2 3.85Å; F141-I467 HydrophobicContact CE2-CG1 4.03Å; F141-I467 HydrophobicContact CZ-CB 4.38Å; F141-I467 HydrophobicContact CZ-CG1 4.12Å; F141-I467 HydrophobicContact CZ-CG2 4.2Å; I462-I467 HydrophobicContact CD1-CG1 3.87Å; I462-I467 HydrophobicContact CG1-CG1 3.94Å; I462-I467 HydrophobicContact CG2-CD1 3.91Å; I462-I467 HydrophobicContact CG2-CG1 3.81Å; S463-I467 WeakPolarHBondContact O-CG1 3.45Å; S463-I467 PolarHBondContact O-N 3.23Å; I464-I467 HydrophobicContact CD1-CD1 4.17Å; I464-I467 PolarHBondContact O-N 2.99Å; I467-N469 PolarHBondContact O-N 3.49Å; I467-T470 PolarHBondContact O-N 2.94Å; I467-H471 WeakPolarHBondContact O-CB 3.3Å; I467-H471 PolarHBondContact O-N 3.45Å; I467-L505 HydrophobicContact CD1-CD2 4.29Å; I467-L528 HydrophobicContact CD1-CD1 4.06Å
468I85.8Confident84.8Confident19 Ų1927.5 Ų27.510%0.09715%0.15CC..Hα-helixtrans-61.5-46.2-177.3-70.8169.5000110.8I464 G465 T470 H471 T472 V499 P500 V502I464-I468 HydrophobicContact CG2-CD1 3.88Å; I464-I468 WeakPolarHBondContact O-CG1 3.5Å; I464-I468 PolarHBondContact O-N 3.48Å; I464-I468 VanDerWaalsContact O-N 3.08Å; G465-I468 PolarHBondContact O-N 3.41Å; I468-T470 PolarHBondContact O-N 3.36Å; I468-H471 PolarHBondContact O-N 3Å; I468-T472 WeakPolarHBondContact O-CB 3.49Å; I468-T472 PolarHBondContact O-N 2.93Å; I468-T472 PolarHBondContact O-OG1 3.45Å; I468-V499 HydrophobicContact CG2-CG1 3.73Å; I468-P500 VanDerWaalsContact CD1-O 3.28Å; I468-P500 WeakPolarHBondContact CD1-O 3.46Å; I468-P500 HydrophobicContact CG1-CG 4.39Å; I468-P500 WeakPolarHBondContact CG1-O 3.23Å; I468-V502 HydrophobicContact CD1-CB 4.3Å; I468-V502 HydrophobicContact CD1-CG2 3.66Å
469N84.3Confident85.5Confident68 Ų6831.9 Ų31.936%0.36417%0.172SC..Hα-helixtrans-66.8-39.3-179.6-65.8-31.4000111.7F166 G465 I467 H471 T472 L473F166-N469 HydrophobicContact CE1-CB 4.33Å; F166-N469 HydrophobicContact CE2-CB 3.99Å; F166-N469 HydrophobicContact CZ-CB 3.37Å; G465-N469 WeakPolarHBondContact O-CB 3.46Å; G465-N469 PolarHBondContact O-N 2.81Å; G465-N469 PolarHBondContact O-ND2 2.84Å; I467-N469 PolarHBondContact O-N 3.49Å; N469-H471 VanDerWaalsContact C-N 3.35Å; N469-T472 PolarHBondContact O-N 3.35Å; N469-L473 WeakPolarHBondContact O-CG 3.43Å; N469-L473 PolarHBondContact O-N 3.24Å
470T87.7Confident86Confident2 Ų231.8 Ų31.81%0.01218%0.175CC..Hα-helixtrans-62.7-45.2176-53.60000110.4F141 V170 L174 E466 I467 I468 T472 L473 L474F141-T470 HydrophobicContact CE1-CG2 3.88Å; V170-T470 HydrophobicContact CG1-CG2 4.24Å; V170-T470 VanDerWaalsContact CG1-OG1 3.27Å; V170-T470 WeakPolarHBondContact CG1-OG1 3.49Å; L174-T470 HydrophobicContact CD1-CG2 4.46Å; E466-T470 VanDerWaalsContact O-CB 3.3Å; E466-T470 WeakPolarHBondContact O-CB 3.47Å; E466-T470 PolarHBondContact O-N 3.25Å; E466-T470 PolarHBondContact O-OG1 3.47Å; I467-T470 PolarHBondContact O-N 2.94Å; I468-T470 PolarHBondContact O-N 3.36Å; T470-T472 PolarHBondContact O-N 3.45Å; T470-L473 PolarHBondContact O-N 3.43Å; T470-L474 HydrophobicContact CG2-CD1 4.04Å; T470-L474 VanDerWaalsContact O-CG 3.24Å; T470-L474 WeakPolarHBondContact O-CG 3.44Å; T470-L474 PolarHBondContact O-N 2.95Å
471H90.2Very high86.2Confident1 Ų131.8 Ų31.81%0.00518%0.175CC..Hα-helixtrans-59.8-46.5176.2-171.4-176.3000111.7Y137 I467 I468 N469 L473 L474 L475 G497Y137-H471 HydrophobicContact CE1-CB 4.06Å; Y137-H471 AromaticContact CE1-ND1 3.97Å; Y137-H471 AromaticContact CZ-ND1 3.8Å; Y137-H471 PolarHBondContact OH-ND1 3.39Å; I467-H471 WeakPolarHBondContact O-CB 3.3Å; I467-H471 PolarHBondContact O-N 3.45Å; I468-H471 PolarHBondContact O-N 3Å; N469-H471 VanDerWaalsContact C-N 3.35Å; H471-L473 PolarHBondContact O-N 3.31Å; H471-L474 PolarHBondContact O-N 3.25Å; H471-L475 PolarHBondContact O-N 2.9Å; H471-G497 PolarHBondContact CE1-O 3.45Å; H471-G497 VanDerWaalsContact CE1-O 3.23Å
472T88.6Confident86.7Confident47 Ų4730.4 Ų30.429%0.28817%0.17SC..Hα-helixtrans-57.8-48178.3-520000111I468 N469 T470 L474 L475 D476I468-T472 WeakPolarHBondContact O-CB 3.49Å; I468-T472 PolarHBondContact O-N 2.93Å; I468-T472 PolarHBondContact O-OG1 3.45Å; N469-T472 PolarHBondContact O-N 3.35Å; T470-T472 PolarHBondContact O-N 3.45Å; T472-L474 VanDerWaalsContact C-N 3.32Å; T472-L474 PolarHBondContact O-N 3.12Å; T472-L475 PolarHBondContact O-N 3.24Å; T472-D476 WeakPolarHBondContact O-CB 3.45Å; T472-D476 VanDerWaalsContact O-CG 3.26Å; T472-D476 PolarHBondContact O-N 3.45Å
473L87.3Confident86.9Confident23 Ų2334.1 Ų34.112%0.1219%0.194CC..Hα-helixtrans-64.5-34.4179.4-74178.5000113.6L154 M158 F166 M167 N469 T470 H471 H477L154-L473 HydrophobicContact CD1-CB 4.38Å; M158-L473 HydrophobicContact CE-CD1 4.39Å; M158-L473 HydrophobicContact CE-CD2 3.95Å; M158-L473 HydrophobicContact SD-CD2 3.88Å; F166-L473 HydrophobicContact CD1-CD1 4.32Å; F166-L473 HydrophobicContact CE1-CD1 3.61Å; M167-L473 HydrophobicContact SD-CD1 4.13Å; N469-L473 WeakPolarHBondContact O-CG 3.43Å; N469-L473 PolarHBondContact O-N 3.24Å; T470-L473 PolarHBondContact O-N 3.43Å; H471-L473 PolarHBondContact O-N 3.31Å; L473-H477 PolarHBondContact O-CD2 3.36Å; L473-H477 PolarHBondContact O-N 3.38Å
474L89.3Confident87.2Confident0 Ų040.1 Ų40.10%022%0.221CC..Hα-helixtrans-69.6-38.6177.2-69.2167.6000111.5L140 L144 L154 T470 H471 T472 H477 Q478 I481 L493L140-L474 HydrophobicContact CD1-CD1 4.32Å; L140-L474 HydrophobicContact CD2-CD1 3.91Å; L140-L474 HydrophobicContact CG-CD1 4.34Å; L144-L474 HydrophobicContact CD1-CD1 3.77Å; L144-L474 HydrophobicContact CD1-CD2 4.43Å; L144-L474 HydrophobicContact CD2-CD2 4.14Å; L154-L474 HydrophobicContact CD2-CD2 4.18Å; T470-L474 HydrophobicContact CG2-CD1 4.04Å; T470-L474 VanDerWaalsContact O-CG 3.24Å; T470-L474 WeakPolarHBondContact O-CG 3.44Å; T470-L474 PolarHBondContact O-N 2.95Å; H471-L474 PolarHBondContact O-N 3.25Å; T472-L474 VanDerWaalsContact C-N 3.32Å; T472-L474 PolarHBondContact O-N 3.12Å; L474-H477 CarbonylContact O-C 3.6Å; L474-Q478 WeakPolarHBondContact O-CA 3.44Å; L474-Q478 WeakPolarHBondContact O-CB 3.35Å; L474-Q478 PolarHBondContact O-N 3.3Å; L474-I481 HydrophobicContact CB-CD1 4.4Å; L474-I481 HydrophobicContact CD2-CD1 3.53Å; L474-L493 HydrophobicContact CB-CD2 4.23Å
475L90.2Very high87.2Confident61 Ų6147.6 Ų47.632%0.31926%0.255SS..Hα-helixtrans-69.7-45.3175.6-68.7178.2000111.8H471 T472 H477 Q478 L493 V499H471-L475 PolarHBondContact O-N 2.9Å; T472-L475 PolarHBondContact O-N 3.24Å; L475-H477 PolarHBondContact O-N 3.28Å; L475-H477 VanDerWaalsContact O-N 3.11Å; L475-Q478 PolarHBondContact O-N 3.01Å; L475-L493 HydrophobicContact CD2-CB 4.37Å; L475-L493 HydrophobicContact CD2-CD1 4.46Å; L475-L493 HydrophobicContact CD2-CD2 4.29Å; L475-V499 HydrophobicContact CD1-CG2 3.55Å
476D89.1Confident87.4Confident110 Ų11054.4 Ų54.459%0.58829%0.288SS*.Hα-helixtrans-58.4-27.6179.6-74.4-11.2000112.7T472T472-D476 WeakPolarHBondContact O-CB 3.45Å; T472-D476 VanDerWaalsContact O-CG 3.26Å; T472-D476 PolarHBondContact O-N 3.45Å
477H88.5Confident87.6Confident46 Ų4654.9 Ų54.921%0.21329%0.291CS..THydrogen-bonded Turntrans-123.621.4-175.4-60.8-58000113.4L154 Q157 L473 L474 L475 D479 A480 I481L154-H477 HydrophobicContact CD1-CB 4.02Å; Q157-H477 HydrophobicContact CB-CB 4.47Å; Q157-H477 HydrophobicContact CG-CB 4.47Å; L473-H477 PolarHBondContact O-CD2 3.36Å; L473-H477 PolarHBondContact O-N 3.38Å; L474-H477 CarbonylContact O-C 3.6Å; L475-H477 PolarHBondContact O-N 3.28Å; L475-H477 VanDerWaalsContact O-N 3.11Å; H477-D479 PolarHBondContact O-N 3.43Å; H477-A480 WeakPolarHBondContact O-CB 3.22Å; H477-A480 PolarHBondContact O-N 2.92Å; H477-I481 HydrophobicContact CB-CG2 4.45Å; H477-I481 WeakPolarHBondContact O-CG1 3.43Å; H477-I481 PolarHBondContact O-N 2.91Å
478Q89.2Confident87.6Confident48 Ų4857.4 Ų57.422%0.22431%0.307CS..Hα-helixtrans-54.9-49.9-172.2-178.1171.7-38.500112.9L474 L475 A480 I481 A482 H490 L493L474-Q478 WeakPolarHBondContact O-CA 3.44Å; L474-Q478 WeakPolarHBondContact O-CB 3.35Å; L474-Q478 PolarHBondContact O-N 3.3Å; L475-Q478 PolarHBondContact O-N 3.01Å; Q478-A480 VanDerWaalsContact C-N 3.25Å; Q478-A480 PolarHBondContact O-N 3.11Å; Q478-I481 VanDerWaalsContact O-CG1 3.25Å; Q478-I481 WeakPolarHBondContact O-CG1 3.42Å; Q478-I481 PolarHBondContact O-N 3.19Å; Q478-A482 PolarHBondContact O-N 2.91Å; Q478-H490 PolarHBondContact NE2-ND1 2.9Å; Q478-L493 HydrophobicContact CG-CD1 4.07Å
479D88.1Confident87.8Confident121 Ų12156.5 Ų56.565%0.64730%0.303SS*.Hα-helixtrans-68.2-26.8-178.9-59.5-35.5000112.6H477 P483H477-D479 PolarHBondContact O-N 3.43Å; D479-P483 WeakPolarHBondContact O-CA 3.5Å
480A86.6Confident88.1Confident38 Ų3854.3 Ų54.331%0.31429%0.29SS..Hα-helixtrans-78.4-38.5178.900000111.8Q157 H477 Q478Q157-A480 HydrophobicContact CG-CB 3.84Å; H477-A480 WeakPolarHBondContact O-CB 3.22Å; H477-A480 PolarHBondContact O-N 2.92Å; Q478-A480 VanDerWaalsContact C-N 3.25Å; Q478-A480 PolarHBondContact O-N 3.11Å
481I88Confident88.1Confident1 Ų158.6 Ų58.61%0.00531%0.31CS..Hα-helixtrans-77.9-38.4179.464.7179.3000111.8K153 L154 L474 H477 Q478 I489K153-I481 HydrophobicContact CB-CB 4.49Å; K153-I481 HydrophobicContact CB-CG2 4.21Å; K153-I481 VanDerWaalsContact CD-O 3.25Å; K153-I481 WeakPolarHBondContact CD-O 3.28Å; K153-I481 PolarHBondContact NZ-O 3.34Å; L154-I481 HydrophobicContact CB-CG2 3.95Å; L154-I481 HydrophobicContact CD1-CG2 4.25Å; L474-I481 HydrophobicContact CB-CD1 4.4Å; L474-I481 HydrophobicContact CD2-CD1 3.53Å; H477-I481 HydrophobicContact CB-CG2 4.45Å; H477-I481 WeakPolarHBondContact O-CG1 3.43Å; H477-I481 PolarHBondContact O-N 2.91Å; Q478-I481 VanDerWaalsContact O-CG1 3.25Å; Q478-I481 WeakPolarHBondContact O-CG1 3.42Å; Q478-I481 PolarHBondContact O-N 3.19Å; I481-I489 HydrophobicContact CD1-CD1 4.07Å
482A89.4Confident88.1Confident1 Ų158.7 Ų58.71%0.00831%0.311CS..  trans-131.987.4-178.500000109.4Y150 Q478 E484 D487 I489 H490Y150-A482 HydrophobicContact CD1-CB 4.49Å; Y150-A482 HydrophobicContact CE1-CB 4.17Å; Q478-A482 PolarHBondContact O-N 2.91Å; A482-E484 VanDerWaalsContact C-N 3.29Å; A482-D487 HydrophobicContact CB-CB 4.02Å; A482-I489 HydrophobicContact CB-CG2 3.46Å; A482-I489 VanDerWaalsContact CB-CG2 3.46Å; A482-H490 PolarHBondContact O-CE1 3.38Å; A482-H490 VanDerWaalsContact O-CE1 3.24Å; A482-H490 PolarHBondContact O-NE2 3.23Å; A482-H490 VanDerWaalsContact O-NE2 3.14Å
483P86.4Confident88.1Confident78 Ų7856.7 Ų56.751%0.50630%0.298SS..  trans-76.1-18.9179.630.1-35000112.8D479D479-P483 WeakPolarHBondContact O-CA 3.5Å
484E88Confident88.1Confident142 Ų14260.6 Ų60.666%0.66432%0.323SS*.SBendtrans-85.4117.7179.8-66.8-176.4-167.200110.2A482 N486 D487 H490A482-E484 VanDerWaalsContact C-N 3.29Å; E484-N486 PolarHBondContact O-N 3.38Å; E484-D487 WeakPolarHBondContact O-CB 3.46Å; E484-D487 PolarHBondContact O-N 2.86Å; E484-H490 PolarHBondContact O-CD2 2.96Å; E484-H490 VanDerWaalsContact O-CD2 3.28Å; E484-H490 PolarHBondContact O-NE2 2.97Å; E484-H490 VanDerWaalsContact O-NE2 3.11Å
485H81.6Confident88Confident161 Ų16164.9 Ų64.975%0.74535%0.346SS*.THydrogen-bonded Turntrans-61.3-18.5-177.8-62.2-57.3000114.9D487H485-D487 VanDerWaalsContact C-N 3.32Å
486N85.1Confident87.8Confident157 Ų15762.2 Ų62.284%0.8433%0.332SS*.THydrogen-bonded Turntrans-90.85.5177-63.1-11.7000112.9E484E484-N486 PolarHBondContact O-N 3.38Å
487D89.1Confident87.6Confident28 Ų2858.6 Ų58.615%0.1532%0.321CS..  trans-65.5131.4-180-168.8-62.1000111.1Y150 A482 E484 H485 I489 H490Y150-D487 WeakPolarHBondContact CE1-OD1 3.46Å; Y150-D487 VanDerWaalsContact CE1-OD2 3.3Å; Y150-D487 WeakPolarHBondContact CE1-OD2 3.49Å; Y150-D487 PolarHBondContact OH-OD1 3.14Å; Y150-D487 PolarHBondContact OH-OD2 3.49Å; A482-D487 HydrophobicContact CB-CB 4.02Å; E484-D487 WeakPolarHBondContact O-CB 3.46Å; E484-D487 PolarHBondContact O-N 2.86Å; H485-D487 VanDerWaalsContact C-N 3.32Å; D487-I489 HydrophobicContact CB-CG2 4.4Å; D487-I489 PolarHBondContact O-N 3.5Å; D487-I489 WeakPolarHBondContact OD1-CB 3.31Å; D487-I489 VanDerWaalsContact OD1-CG2 3.26Å; D487-I489 WeakPolarHBondContact OD1-CG2 3.48Å; D487-I489 PolarHBondContact OD1-N 2.84Å; D487-H490 PolarHBondContact O-N 2.96Å
488P87.3Confident87.4Confident53 Ų5363.1 Ų63.134%0.34435%0.347SS..Hα-helixtrans-54.9-24.1-179.3-26.133.7000115.1L143 H490 E491 L492 F534L143-P488 HydrophobicContact CD2-CB 4.49Å; P488-H490 VanDerWaalsContact C-N 3.26Å; P488-H490 PolarHBondContact O-N 3.31Å; P488-E491 PolarHBondContact O-N 3.15Å; P488-L492 PolarHBondContact O-N 2.86Å; P488-F534 HydrophobicContact CB-CD2 4.33Å; P488-F534 HydrophobicContact CB-CE1 4.46Å; P488-F534 HydrophobicContact CB-CE2 3.55Å; P488-F534 HydrophobicContact CB-CZ 3.63Å
489I90.5Very high87.2Confident0 Ų063.3 Ų63.30%035%0.351CS..Hα-helixtrans-65.4-30179.5-157.4170.1000112.3L140 L143 L144 Y150 I481 A482 D487 L492 L493L140-I489 HydrophobicContact CD1-CD1 4.38Å; L140-I489 HydrophobicContact CD1-CG1 3.98Å; L143-I489 HydrophobicContact CD2-CB 3.92Å; L143-I489 HydrophobicContact CD2-CG1 4.15Å; L144-I489 HydrophobicContact CD2-CD1 4.04Å; Y150-I489 HydrophobicContact CD1-CD1 3.85Å; Y150-I489 HydrophobicContact CD1-CG2 4.49Å; Y150-I489 HydrophobicContact CD2-CD1 4.49Å; Y150-I489 HydrophobicContact CE1-CB 4.08Å; Y150-I489 HydrophobicContact CE1-CD1 4.14Å; Y150-I489 HydrophobicContact CE1-CG2 3.96Å; Y150-I489 HydrophobicContact CG-CD1 4.04Å; I481-I489 HydrophobicContact CD1-CD1 4.07Å; A482-I489 HydrophobicContact CB-CG2 3.46Å; A482-I489 VanDerWaalsContact CB-CG2 3.46Å; D487-I489 HydrophobicContact CB-CG2 4.4Å; D487-I489 PolarHBondContact O-N 3.5Å; D487-I489 WeakPolarHBondContact OD1-CB 3.31Å; D487-I489 VanDerWaalsContact OD1-CG2 3.26Å; D487-I489 WeakPolarHBondContact OD1-CG2 3.48Å; D487-I489 PolarHBondContact OD1-N 2.84Å; I489-L492 PolarHBondContact O-N 3.21Å; I489-L493 HydrophobicContact CG1-CD1 4.15Å; I489-L493 HydrophobicContact CG1-CG 4.33Å; I489-L493 WeakPolarHBondContact O-CB 3.12Å; I489-L493 VanDerWaalsContact O-CG 3.32Å; I489-L493 WeakPolarHBondContact O-CG 3.4Å; I489-L493 PolarHBondContact O-N 3.22Å
490H89.4Confident86.9Confident22 Ų2258 Ų5810%0.10232%0.323CS..Hα-helixtrans-67-40.1-179.6-64.7-51.1000111.7Q478 A482 E484 D487 P488 T494Q478-H490 PolarHBondContact NE2-ND1 2.9Å; A482-H490 PolarHBondContact O-CE1 3.38Å; A482-H490 VanDerWaalsContact O-CE1 3.24Å; A482-H490 PolarHBondContact O-NE2 3.23Å; A482-H490 VanDerWaalsContact O-NE2 3.14Å; E484-H490 PolarHBondContact O-CD2 2.96Å; E484-H490 VanDerWaalsContact O-CD2 3.28Å; E484-H490 PolarHBondContact O-NE2 2.97Å; E484-H490 VanDerWaalsContact O-NE2 3.11Å; D487-H490 PolarHBondContact O-N 2.96Å; P488-H490 VanDerWaalsContact C-N 3.26Å; P488-H490 PolarHBondContact O-N 3.31Å; H490-T494 WeakPolarHBondContact O-CB 3.46Å; H490-T494 PolarHBondContact O-N 3.19Å; H490-T494 PolarHBondContact O-OG1 2.92Å
491E88.9Confident86.4Confident92 Ų9260.2 Ų60.243%0.4333%0.333SS..Hα-helixtrans-62.8-46.6174.5-170.1-171.6144.200110.6P488 L493 T494 D495 K533P488-E491 PolarHBondContact O-N 3.15Å; E491-L493 PolarHBondContact O-N 2.94Å; E491-T494 PolarHBondContact O-N 3.44Å; E491-D495 PolarHBondContact O-N 3.4Å; E491-K533 IonicContact OE1-NZ 3.6Å; E491-K533 PolarHBondContact OE1-NZ 3.07Å
492L89Confident85.6Confident3 Ų361.3 Ų61.32%0.01634%0.34CS..Hα-helixtrans-63-41.5179.4-64.5-179.2000112.7H139 L140 L143 P488 I489 T494 D495 L496 K533 F534H139-L492 HydrophobicContact CB-CD2 3.99Å; L140-L492 HydrophobicContact CD1-CB 4.43Å; L143-L492 HydrophobicContact CB-CD1 4.18Å; L143-L492 HydrophobicContact CD2-CD1 3.69Å; P488-L492 PolarHBondContact O-N 2.86Å; I489-L492 PolarHBondContact O-N 3.21Å; L492-T494 VanDerWaalsContact C-N 3.35Å; L492-D495 PolarHBondContact O-N 3.48Å; L492-L496 WeakPolarHBondContact O-CD1 3.25Å; L492-L496 PolarHBondContact O-N 2.88Å; L492-L496 VanDerWaalsContact O-N 3.14Å; L492-K533 HydrophobicContact CD2-CB 4.09Å; L492-K533 HydrophobicContact CD2-CD 3.48Å; L492-K533 VanDerWaalsContact CD2-CD 3.48Å; L492-K533 HydrophobicContact CD2-CG 4.4Å; L492-F534 HydrophobicContact CD1-CE2 4.21Å; L492-F534 HydrophobicContact CD2-CE2 4.32Å; L492-F534 HydrophobicContact CD2-CZ 4.34Å; L492-F534 HydrophobicContact CG-CE2 4.25Å; L492-F534 HydrophobicContact CG-CZ 4.34Å
493L89.2Confident84.6Confident5 Ų561.8 Ų61.83%0.02634%0.342CS..Hα-helixtrans-67.9-36.7176.5-70.8171.5000111.5L140 L474 L475 Q478 I489 E491 L496 G497L140-L493 HydrophobicContact CD1-CD2 4.34Å; L140-L493 HydrophobicContact CD2-CD2 4.17Å; L474-L493 HydrophobicContact CB-CD2 4.23Å; L475-L493 HydrophobicContact CD2-CB 4.37Å; L475-L493 HydrophobicContact CD2-CD1 4.46Å; L475-L493 HydrophobicContact CD2-CD2 4.29Å; Q478-L493 HydrophobicContact CG-CD1 4.07Å; I489-L493 HydrophobicContact CG1-CD1 4.15Å; I489-L493 HydrophobicContact CG1-CG 4.33Å; I489-L493 WeakPolarHBondContact O-CB 3.12Å; I489-L493 VanDerWaalsContact O-CG 3.32Å; I489-L493 WeakPolarHBondContact O-CG 3.4Å; I489-L493 PolarHBondContact O-N 3.22Å; E491-L493 PolarHBondContact O-N 2.94Å; L493-L496 WeakPolarHBondContact O-CB 3.4Å; L493-L496 PolarHBondContact O-N 3.47Å; L493-G497 PolarHBondContact O-N 3.47Å
494T87.9Confident83.9Confident105 Ų10560.8 Ų60.864%0.64434%0.336SS*.Hα-helixtrans-64.4-43.1175.4-56.50000111.4H490 E491 L492 L496 G497H490-T494 WeakPolarHBondContact O-CB 3.46Å; H490-T494 PolarHBondContact O-N 3.19Å; H490-T494 PolarHBondContact O-OG1 2.92Å; E491-T494 PolarHBondContact O-N 3.44Å; L492-T494 VanDerWaalsContact C-N 3.35Å; T494-L496 VanDerWaalsContact C-N 3.28Å; T494-L496 PolarHBondContact O-N 2.9Å; T494-G497 PolarHBondContact O-N 2.93Å; T494-G497 VanDerWaalsContact O-N 3.17Å
495D85.9Confident83Confident90 Ų9054.5 Ų54.548%0.48131%0.308SS..Hα-helixtrans-63.2-33.2175.8-71.8-18.6000112.9E491 L492 G497 K533E491-D495 PolarHBondContact O-N 3.4Å; L492-D495 PolarHBondContact O-N 3.48Å; D495-G497 VanDerWaalsContact C-N 3.31Å; D495-K533 IonicContact OD2-NZ 3.62Å; D495-K533 PolarHBondContact OD2-NZ 3.27Å
496L85.9Confident82.1Confident5 Ų548.7 Ų48.73%0.02628%0.282CS..Hα-helixtrans-69.3-30.3176.4-103.177.4000112.6K133 A136 Y137 L140 L492 L493 T494K133-L496 WeakPolarHBondContact CE-O 3.39Å; K133-L496 PolarHBondContact NZ-O 3.21Å; A136-L496 HydrophobicContact CB-CD1 3.47Å; A136-L496 VanDerWaalsContact CB-CD1 3.47Å; A136-L496 HydrophobicContact CB-CG 4.36Å; Y137-L496 HydrophobicContact CD1-CD2 3.51Å; Y137-L496 HydrophobicContact CD1-CG 4.44Å; Y137-L496 HydrophobicContact CE1-CD2 3.13Å; Y137-L496 HydrophobicContact CE1-CG 4.22Å; Y137-L496 HydrophobicContact CE2-CD2 4.33Å; Y137-L496 HydrophobicContact CG-CD2 4.23Å; L140-L496 HydrophobicContact CD2-CD2 3.82Å; L492-L496 WeakPolarHBondContact O-CD1 3.25Å; L492-L496 PolarHBondContact O-N 2.88Å; L492-L496 VanDerWaalsContact O-N 3.14Å; L493-L496 WeakPolarHBondContact O-CB 3.4Å; L493-L496 PolarHBondContact O-N 3.47Å; T494-L496 VanDerWaalsContact C-N 3.28Å; T494-L496 PolarHBondContact O-N 2.9Å
497G85.9Confident80.8Confident34 Ų3443.4 Ų43.435%0.35126%0.264SS..  trans59.5-149.7-174.700000112.6H471 L493 T494 D495H471-G497 PolarHBondContact CE1-O 3.45Å; H471-G497 VanDerWaalsContact CE1-O 3.23Å; L493-G497 PolarHBondContact O-N 3.47Å; T494-G497 PolarHBondContact O-N 2.93Å; T494-G497 VanDerWaalsContact O-N 3.17Å; D495-G497 VanDerWaalsContact C-N 3.31Å
498D84.4Confident79.4Confident142 Ų14247.6 Ų47.676%0.75928%0.282SS*.SBendtrans-61.6150-176.4-62.5-40.9000113.6K133 P500K133-D498 PolarHBondContact NZ-O 3.33Å; D498-P500 WeakPolarHBondContact O-CD 3.38Å
499V84.3Confident77.9Confident52 Ų5251.9 Ų51.932%0.31530%0.302SS..PPolyproline II helixtrans-59.1118.7175.9-1760000109.5I468 L475I468-V499 HydrophobicContact CG2-CG1 3.73Å; L475-V499 HydrophobicContact CD1-CG2 3.55Å
500P81.4Confident76.1Confident10 Ų1057.2 Ų57.27%0.06534%0.337CS..PPolyproline II helixtrans-74.4151.1-17929.9-33.2000111.5Y137 I468 D498 L505Y137-P500 HydrophobicContact CE2-CG 4.48Å; Y137-P500 WeakPolarHBondContact OH-CD 3.46Å; Y137-P500 WeakPolarHBondContact OH-CG 3.27Å; I468-P500 VanDerWaalsContact CD1-O 3.28Å; I468-P500 WeakPolarHBondContact CD1-O 3.46Å; I468-P500 HydrophobicContact CG1-CG 4.39Å; I468-P500 WeakPolarHBondContact CG1-O 3.23Å; D498-P500 WeakPolarHBondContact O-CD 3.38Å; P500-L505 HydrophobicContact CB-CD1 3.66Å; P500-L505 HydrophobicContact CG-CD1 3.4Å; P500-L505 VanDerWaalsContact CG-CD1 3.4Å
501T77.7Confident74.6Confident83 Ų8358.6 Ų58.651%0.50935%0.345SS..PPolyproline II helixtrans-75.9157.4167.459.10000111.5E503 S504 L505T501-E503 WeakPolarHBondContact CB-OE2 3.42Å; T501-E503 PolarHBondContact O-N 3.49Å; T501-S504 WeakPolarHBondContact O-CB 3.39Å; T501-S504 PolarHBondContact O-N 2.86Å; T501-S504 VanDerWaalsContact O-N 3.17Å; T501-S504 VanDerWaalsContact OG1-CB 3.26Å; T501-S504 WeakPolarHBondContact OG1-CB 3.36Å; T501-S504 PolarHBondContact OG1-N 3.2Å; T501-L505 PolarHBondContact O-N 3.44Å; T501-L505 VanDerWaalsContact O-N 3.11Å
502V70.4Confident73.3Confident25 Ų2558 Ų5815%0.15235%0.349CS..Hα-helixtrans-55.4-44179.1176.50000110.6I464 I468 L505 I506 M521I464-V502 HydrophobicContact CG2-CG1 4.24Å; I468-V502 HydrophobicContact CD1-CB 4.3Å; I468-V502 HydrophobicContact CD1-CG2 3.66Å; V502-L505 PolarHBondContact O-N 3.49Å; V502-I506 HydrophobicContact CG1-CD1 3.77Å; V502-I506 WeakPolarHBondContact O-CG1 3.26Å; V502-I506 PolarHBondContact O-N 2.95Å; V502-M521 HydrophobicContact CG1-CB 3.66Å
503E69.2Low71.7Confident10 Ų1063.3 Ų63.35%0.04738%0.384CS..Hα-helixtrans-69.1-36.9-178-53.292.9156.400111.6T501 I506 G507 E508 K518 M521T501-E503 WeakPolarHBondContact CB-OE2 3.42Å; T501-E503 PolarHBondContact O-N 3.49Å; E503-I506 PolarHBondContact O-N 2.95Å; E503-G507 PolarHBondContact O-N 3.35Å; E503-E508 PolarHBondContact O-N 3.3Å; E503-K518 WeakPolarHBondContact OE1-CD 3.37Å; E503-K518 WeakPolarHBondContact OE1-CE 3.23Å; E503-K518 IonicContact OE1-NZ 3.35Å; E503-K518 PolarHBondContact OE1-NZ 2.84Å; E503-M521 HydrophobicContact CG-SD 4.32Å
504S70.3Confident70.2Confident57 Ų5770.7 Ų70.740%0.39942%0.423SS..Hα-helixtrans-62.5-43.4175.5175.50000111.6K130 T501K130-S504 WeakPolarHBondContact CD-O 3.28Å; K130-S504 WeakPolarHBondContact CE-O 3.31Å; K130-S504 PolarHBondContact NZ-O 2.88Å; T501-S504 WeakPolarHBondContact O-CB 3.39Å; T501-S504 PolarHBondContact O-N 2.86Å; T501-S504 VanDerWaalsContact O-N 3.17Å; T501-S504 VanDerWaalsContact OG1-CB 3.26Å; T501-S504 WeakPolarHBondContact OG1-CB 3.36Å; T501-S504 PolarHBondContact OG1-N 3.2Å
505L68.6Low68.9Low11 Ų1167.9 Ų67.96%0.05840%0.404CS..Hα-helixtrans-71.7-33.4-177.7-137.689.5000112.9L126 L134 Y137 I464 I467 P500 T501 V502L126-L505 WeakPolarHBondContact CD2-O 3.31Å; L134-L505 HydrophobicContact CD2-CD2 3.77Å; L134-L505 HydrophobicContact CD2-CG 4.36Å; Y137-L505 HydrophobicContact CE2-CD1 4.24Å; I464-L505 HydrophobicContact CD1-CD2 3.63Å; I464-L505 HydrophobicContact CG1-CD2 4.5Å; I464-L505 HydrophobicContact CG2-CB 3.92Å; I464-L505 HydrophobicContact CG2-CD2 3.97Å; I467-L505 HydrophobicContact CD1-CD2 4.29Å; P500-L505 HydrophobicContact CB-CD1 3.66Å; P500-L505 HydrophobicContact CG-CD1 3.4Å; P500-L505 VanDerWaalsContact CG-CD1 3.4Å; T501-L505 PolarHBondContact O-N 3.44Å; T501-L505 VanDerWaalsContact O-N 3.11Å; V502-L505 PolarHBondContact O-N 3.49Å
506I63.3Low67.5Low39 Ų3968.4 Ų68.420%0.241%0.412CS..Hα-helixtrans-84.3-28.7-179.5-61.1170.8000111.5I464 V502 E503 E508 M521I464-I506 HydrophobicContact CG1-CD1 4.2Å; I464-I506 HydrophobicContact CG1-CG1 3.93Å; I464-I506 HydrophobicContact CG2-CG1 4.46Å; V502-I506 HydrophobicContact CG1-CD1 3.77Å; V502-I506 WeakPolarHBondContact O-CG1 3.26Å; V502-I506 PolarHBondContact O-N 2.95Å; E503-I506 PolarHBondContact O-N 2.95Å; I506-E508 HydrophobicContact CG2-CG 4.14Å; I506-M521 HydrophobicContact CD1-CB 3.84Å; I506-M521 HydrophobicContact CD1-CG 4.39Å; I506-M521 WeakPolarHBondContact CD1-O 3.29Å
507G58.2Low66.3Low45 Ų4572.3 Ų72.346%0.46443%0.433SS..THydrogen-bonded Turntrans86.228.6-177.500000115.1E503E503-G507 PolarHBondContact O-N 3.35Å
508E60Low65.1Low116 Ų11673.9 Ų73.954%0.54243%0.431SS..  trans-105.1161.2172.9-68.1-166.4-158.500111.4E503 I506 M521E503-E508 PolarHBondContact O-N 3.3Å; I506-E508 HydrophobicContact CG2-CG 4.14Å; E508-M521 HydrophobicContact CB-CE 3.55Å; E508-M521 HydrophobicContact CG-CE 3.95Å; E508-M521 WeakPolarHBondContact OE2-CE 3.13Å
509N54.6Low64Low143 Ų14374.4 Ų74.477%0.76543%0.428SS*.PPolyproline II helixtrans-67.7145.9178.8-74.2-26.7000110.9L511N509-L511 PolarHBondContact O-N 2.99Å
510P54.2Low63Low112 Ų11276.8 Ų76.873%0.72744%0.439SS*.PPolyproline II helixtrans-60.6123.2178.722.3-30.4000111.2
511L57.1Low62.1Low51 Ų5177 Ų7727%0.26744%0.44SS..PPolyproline II helixtrans-89155.3174.8-71.1169.2000110.7N509 D515 N517 M521N509-L511 PolarHBondContact O-N 2.99Å; L511-D515 HydrophobicContact CB-CB 4.35Å; L511-N517 HydrophobicContact CD1-CB 3.97Å; L511-M521 HydrophobicContact CD1-CE 4.02Å; L511-M521 HydrophobicContact CD1-SD 3.79Å
512P62.6Low61.2Low80 Ų8073.8 Ų73.852%0.51942%0.423SS..PPolyproline II helixtrans-55.4148174-22.232.3000112.4D514 D515P512-D514 PolarHBondContact O-N 3Å; P512-D514 VanDerWaalsContact O-N 3.14Å; P512-D515 WeakPolarHBondContact O-CB 3.43Å; P512-D515 PolarHBondContact O-N 3.34Å; P512-D515 VanDerWaalsContact O-N 3.12Å
513P55Low61.2Low115 Ų11576.9 Ų76.975%0.74743%0.434SS*.THydrogen-bonded Turntrans-60.2-25.3-17519.2-29.4000115
514D56.8Low61.2Low160 Ų16079.2 Ų79.286%0.85645%0.449SS*.THydrogen-bonded Turntrans-968.1179.5-73.5-33.9000114.4P512 P516P512-D514 PolarHBondContact O-N 3Å; P512-D514 VanDerWaalsContact O-N 3.14Å; D514-P516 WeakPolarHBondContact O-CD 3.47Å
515D60.3Low61.3Low46 Ų4679.7 Ų79.725%0.24645%0.445CS..  trans-76.5122.3-178.2-163.3-42.4000111.5L511 P512 N517 K518L511-D515 HydrophobicContact CB-CB 4.35Å; P512-D515 WeakPolarHBondContact O-CB 3.43Å; P512-D515 PolarHBondContact O-N 3.34Å; P512-D515 VanDerWaalsContact O-N 3.12Å; D515-N517 PolarHBondContact O-N 3.41Å; D515-N517 VanDerWaalsContact OD1-CB 3.29Å; D515-N517 WeakPolarHBondContact OD1-CB 3.39Å; D515-N517 PolarHBondContact OD1-N 2.81Å; D515-K518 WeakPolarHBondContact O-CB 3.39Å; D515-K518 PolarHBondContact O-N 3.34Å
516P58.4Low61.5Low100 Ų10079.8 Ų79.865%0.64945%0.446SS*.Hα-helixtrans-60-17.7176.924.2-34.1000114.1D514 K518D514-P516 WeakPolarHBondContact O-CD 3.47Å; P516-K518 VanDerWaalsContact C-N 3.27Å; P516-K518 PolarHBondContact O-N 3.41Å
517N59.6Low62.1Low87 Ų8780.6 Ų80.647%0.46546%0.455SS..Hα-helixtrans-69.8-22.1173.7-73.5-26.9000113.1L511 D515 L520 M521L511-N517 HydrophobicContact CD1-CB 3.97Å; D515-N517 PolarHBondContact O-N 3.41Å; D515-N517 VanDerWaalsContact OD1-CB 3.29Å; D515-N517 WeakPolarHBondContact OD1-CB 3.39Å; D515-N517 PolarHBondContact OD1-N 2.81Å; N517-L520 VanDerWaalsContact O-CB 3.31Å; N517-L520 WeakPolarHBondContact O-CB 3.43Å; N517-L520 PolarHBondContact O-N 3.5Å; N517-L520 VanDerWaalsContact O-N 3.15Å; N517-M521 WeakPolarHBondContact O-CG 3.33Å; N517-M521 PolarHBondContact O-N 2.81Å
518K60.8Low63.1Low68 Ų6878.6 Ų78.630%0.29643%0.433SS..Hα-helixtrans-69.8-37.9179.5-167166.7174.9142.50112.4E503 D515 P516 L520 M521 G522E503-K518 WeakPolarHBondContact OE1-CD 3.37Å; E503-K518 WeakPolarHBondContact OE1-CE 3.23Å; E503-K518 IonicContact OE1-NZ 3.35Å; E503-K518 PolarHBondContact OE1-NZ 2.84Å; D515-K518 WeakPolarHBondContact O-CB 3.39Å; D515-K518 PolarHBondContact O-N 3.34Å; P516-K518 VanDerWaalsContact C-N 3.27Å; P516-K518 PolarHBondContact O-N 3.41Å; K518-L520 VanDerWaalsContact C-N 3.26Å; K518-L520 PolarHBondContact O-N 2.81Å; K518-M521 PolarHBondContact O-N 3.49Å; K518-G522 PolarHBondContact O-N 3.19Å; K518-G522 VanDerWaalsContact O-N 3.09Å
519E61.6Low64.1Low152 Ų15275.6 Ų75.671%0.7142%0.423SS*.Hα-helixtrans-63.8-33.3169.3-79.1-168.4157.400112.1K523E519-K523 WeakPolarHBondContact O-CG 3.31Å; E519-K523 PolarHBondContact O-N 3.22Å
520L62.5Low65.3Low103 Ų10368.9 Ų68.954%0.53939%0.387SS..Hα-helixtrans-70.6-38.8178.8-149.381000111.4N517 K518 K523N517-L520 VanDerWaalsContact O-CB 3.31Å; N517-L520 WeakPolarHBondContact O-CB 3.43Å; N517-L520 PolarHBondContact O-N 3.5Å; N517-L520 VanDerWaalsContact O-N 3.15Å; K518-L520 VanDerWaalsContact C-N 3.26Å; K518-L520 PolarHBondContact O-N 2.81Å; L520-K523 PolarHBondContact O-N 3.34Å
521M62.8Low66.4Low15 Ų1564.8 Ų64.87%0.07436%0.36CS..Hα-helixtrans-65.5-40.5174-73176.9146.500112.8V502 E503 I506 E508 L511 N517 K518 K523 T524V502-M521 HydrophobicContact CG1-CB 3.66Å; E503-M521 HydrophobicContact CG-SD 4.32Å; I506-M521 HydrophobicContact CD1-CB 3.84Å; I506-M521 HydrophobicContact CD1-CG 4.39Å; I506-M521 WeakPolarHBondContact CD1-O 3.29Å; E508-M521 HydrophobicContact CB-CE 3.55Å; E508-M521 HydrophobicContact CG-CE 3.95Å; E508-M521 WeakPolarHBondContact OE2-CE 3.13Å; L511-M521 HydrophobicContact CD1-CE 4.02Å; L511-M521 HydrophobicContact CD1-SD 3.79Å; N517-M521 WeakPolarHBondContact O-CG 3.33Å; N517-M521 PolarHBondContact O-N 2.81Å; K518-M521 PolarHBondContact O-N 3.49Å; M521-K523 PolarHBondContact O-N 3.32Å; M521-K523 VanDerWaalsContact O-N 3.14Å; M521-T524 VanDerWaalsContact O-CB 3.27Å; M521-T524 WeakPolarHBondContact O-CB 3.49Å; M521-T524 PolarHBondContact O-N 3.08Å; M521-T524 PolarHBondContact O-OG1 3Å
522G59.6Low67.3Low15 Ų1564.4 Ų64.416%0.15536%0.359CS..Hα-helixtrans-60-25.7176.300000113G465 K518G465-G522 PolarHBondContact N-O 2.88Å; K518-G522 PolarHBondContact O-N 3.19Å; K518-G522 VanDerWaalsContact O-N 3.09Å
523K69.3Low67.7Low90 Ų9063.3 Ų63.339%0.39135%0.346SS..THydrogen-bonded Turntrans-870.5177-66.4178.6-179.8-168.90114.1E519 L520 M521 E525E519-K523 WeakPolarHBondContact O-CG 3.31Å; E519-K523 PolarHBondContact O-N 3.22Å; L520-K523 PolarHBondContact O-N 3.34Å; M521-K523 PolarHBondContact O-N 3.32Å; M521-K523 VanDerWaalsContact O-N 3.14Å; K523-E525 PolarHBondContact O-N 3.29Å
524T70.3Confident68.4Low58 Ų5862 Ų6236%0.35633%0.328SS..  trans-62.8124.3176.1-58.60000110S463 I464 M521S463-T524 VanDerWaalsContact CA-O 3.28Å; S463-T524 WeakPolarHBondContact CA-O 3.34Å; I464-T524 PolarHBondContact N-O 2.79Å; M521-T524 VanDerWaalsContact O-CB 3.27Å; M521-T524 WeakPolarHBondContact O-CB 3.49Å; M521-T524 PolarHBondContact O-N 3.08Å; M521-T524 PolarHBondContact O-OG1 3Å
525E70.8Confident68.4Low68 Ų6857.8 Ų57.832%0.31831%0.306SS..EExtended strand (participates in β ladder)trans-88.5139.8-177.7-61.3-167.413200111.8R66 M113 K523R66-E525 IonicContact NH1-OE1 2.97Å; R66-E525 PolarHBondContact NH1-OE1 3.21Å; R66-E525 VanDerWaalsContact NH1-OE1 3.15Å; M113-E525 WeakPolarHBondContact CE-OE2 3.35Å; K523-E525 PolarHBondContact O-N 3.29Å
526V73.9Confident67.7Low13 Ų1360.1 Ų60.18%0.07932%0.321CS..EExtended strand (participates in β ladder)trans-129.3138.3175.5178.60000109.5L123 I462 I464 L528L123-V526 HydrophobicContact CD1-CG1 4.22Å; L123-V526 HydrophobicContact CD2-CG1 3.9Å; I462-V526 PolarHBondContact N-O 2.89Å; I462-V526 PolarHBondContact O-N 3.19Å; I464-V526 HydrophobicContact CD1-CB 4.32Å; I464-V526 HydrophobicContact CD1-CG2 3.42Å; I464-V526 VanDerWaalsContact CD1-CG2 3.42Å; I464-V526 HydrophobicContact CG1-CG2 4.33Å; V526-L528 HydrophobicContact CG1-CD2 3.83Å; V526-L528 HydrophobicContact CG1-CG 4.24Å
527S75.5Confident66.9Low56 Ų5660.4 Ų60.439%0.39232%0.323SS..EExtended strand (participates in β ladder)trans-90.7120.8169.763.90000110I460I460-S527 WeakPolarHBondContact O-CA 3.3Å
528L79.1Confident66Low2 Ų259 Ų591%0.0133%0.33CS..EExtended strand (participates in β ladder)trans-113.2123.5178.2-65.2-178.6000110.2L134 Q138 F141 V459 I460 I462 I467 V526 L530L134-L528 HydrophobicContact CB-CD2 4.37Å; L134-L528 HydrophobicContact CD2-CD2 4.28Å; Q138-L528 HydrophobicContact CG-CB 3.84Å; Q138-L528 HydrophobicContact CG-CD2 4.15Å; Q138-L528 HydrophobicContact CG-CG 4.45Å; F141-L528 HydrophobicContact CD2-CD1 3.88Å; F141-L528 HydrophobicContact CE2-CD1 3.81Å; V459-L528 CarbonylContact C-O 3.56Å; V459-L528 VanDerWaalsContact CA-O 3.29Å; V459-L528 WeakPolarHBondContact CA-O 3.4Å; I460-L528 HydrophobicContact CD1-CB 4.41Å; I460-L528 HydrophobicContact CD1-CD1 4.37Å; I460-L528 HydrophobicContact CG1-CB 3.82Å; I460-L528 PolarHBondContact N-O 2.9Å; I460-L528 PolarHBondContact O-N 3.21Å; I462-L528 HydrophobicContact CG2-CD1 3.78Å; I462-L528 HydrophobicContact CG2-CG 4.23Å; I467-L528 HydrophobicContact CD1-CD1 4.06Å; V526-L528 HydrophobicContact CG1-CD2 3.83Å; V526-L528 HydrophobicContact CG1-CG 4.24Å; L528-L530 PolarHBondContact O-N 3.07Å
529T80.5Confident64.9Low54 Ų5463.9 Ų63.933%0.33135%0.354SS..EExtended strand (participates in β ladder)trans-87.5100.5176.1-55.20000109.2Q138 K457 P458 V459 T531Q138-T529 WeakPolarHBondContact CG-O 3.25Å; Q138-T529 PolarHBondContact OE1-O 3.42Å; K457-T529 HydrophobicContact CB-CG2 3.38Å; K457-T529 HydrophobicContact CD-CG2 3.7Å; K457-T529 HydrophobicContact CG-CG2 4.18Å; P458-T529 CarbonylContact O-C 3.58Å; V459-T529 HydrophobicContact CG2-CG2 4.38Å; T529-T531 PolarHBondContact O-N 3.1Å
530L81Confident64Low1 Ų161.7 Ų61.71%0.00536%0.362CS..  trans-64.4132.4-175.8-58.2-170.8000111.5Q138 F141 Y142 Q145 P458 I460 L528Q138-L530 HydrophobicContact CB-CD2 4.43Å; Q138-L530 WeakPolarHBondContact O-CD2 3.22Å; F141-L530 HydrophobicContact CB-CD2 3.68Å; Y142-L530 HydrophobicContact CD2-CB 3.96Å; Q145-L530 HydrophobicContact CG-CD1 4.27Å; Q145-L530 VanDerWaalsContact OE1-CD1 3.3Å; P458-L530 HydrophobicContact CB-CB 4.34Å; P458-L530 HydrophobicContact CG-CB 4.03Å; P458-L530 WeakPolarHBondContact O-CB 3.2Å; P458-L530 PolarHBondContact O-N 3.39Å; I460-L530 HydrophobicContact CD1-CD2 3.85Å; I460-L530 HydrophobicContact CG1-CD2 3.84Å; I460-L530 HydrophobicContact CG1-CG 4.23Å; I460-L530 HydrophobicContact CG2-CD1 3.56Å; I460-L530 HydrophobicContact CG2-CD2 4.46Å; I460-L530 HydrophobicContact CG2-CG 4.04Å; L528-L530 PolarHBondContact O-N 3.07Å
531T76.9Confident63.4Low26 Ų2661.1 Ų61.116%0.1636%0.359CS..  trans-140.4146.7179.549.20000109.1H139 K457 T529H139-T531 VanDerWaalsContact CA-O 3.31Å; H139-T531 WeakPolarHBondContact CA-O 3.5Å; H139-T531 PolarHBondContact CE1-OG1 3.36Å; H139-T531 PolarHBondContact ND1-O 3.27Å; H139-T531 PolarHBondContact ND1-OG1 3.13Å; K457-T531 HydrophobicContact CD-CG2 3.71Å; T529-T531 PolarHBondContact O-N 3.1Å
532N75.8Confident63Low44 Ų4465.4 Ų65.424%0.23539%0.386CS..  trans-83.4128.2174.4-171.8-4.7000109.8Y142 F534 D535Y142-N532 HydrophobicContact CD1-CB 3.67Å; Y142-N532 HydrophobicContact CE1-CB 3.49Å; Y142-N532 VanDerWaalsContact CE1-CB 3.49Å; Y142-N532 HydrophobicContact CG-CB 4.46Å; N532-F534 VanDerWaalsContact C-N 3.28Å; N532-F534 PolarHBondContact OD1-N 3.24Å; N532-D535 HydrophobicContact CB-CB 3.83Å; N532-D535 WeakPolarHBondContact CB-OD2 3.29Å; N532-D535 PolarHBondContact ND2-OD1 3.11Å; N532-D535 PolarHBondContact ND2-OD2 3.18Å
533K71.9Confident62.7Low57 Ų5769.5 Ų69.525%0.24840%0.401CS..THydrogen-bonded Turntrans-68.5-30.8174.5-168.7-172.7175.4-162.60111.6H139 E491 L492 D495 V536H139-K533 HydrophobicContact CB-CB 3.97Å; H139-K533 PolarHBondContact ND1-N 3.16Å; E491-K533 IonicContact OE1-NZ 3.6Å; E491-K533 PolarHBondContact OE1-NZ 3.07Å; L492-K533 HydrophobicContact CD2-CB 4.09Å; L492-K533 HydrophobicContact CD2-CD 3.48Å; L492-K533 VanDerWaalsContact CD2-CD 3.48Å; L492-K533 HydrophobicContact CD2-CG 4.4Å; D495-K533 IonicContact OD2-NZ 3.62Å; D495-K533 PolarHBondContact OD2-NZ 3.27Å; K533-V536 WeakPolarHBondContact O-CG2 3.35Å
534F69.1Low61.8Low87 Ų8768 Ų6838%0.38240%0.396SS..THydrogen-bonded Turntrans-92.21.9-174.4-52.5-75.3000113.4P488 L492 N532 V536P488-F534 HydrophobicContact CB-CD2 4.33Å; P488-F534 HydrophobicContact CB-CE1 4.46Å; P488-F534 HydrophobicContact CB-CE2 3.55Å; P488-F534 HydrophobicContact CB-CZ 3.63Å; L492-F534 HydrophobicContact CD1-CE2 4.21Å; L492-F534 HydrophobicContact CD2-CE2 4.32Å; L492-F534 HydrophobicContact CD2-CZ 4.34Å; L492-F534 HydrophobicContact CG-CE2 4.25Å; L492-F534 HydrophobicContact CG-CZ 4.34Å; N532-F534 VanDerWaalsContact C-N 3.28Å; N532-F534 PolarHBondContact OD1-N 3.24Å; F534-V536 VanDerWaalsContact C-N 3.31Å; F534-V536 PolarHBondContact O-N 3.27Å
535D55.7Low61.4Low72 Ų7268.2 Ų68.239%0.38540%0.395SS..  trans-91.324.9174.4-83.1-23.7000113N532 P537 M544N532-D535 HydrophobicContact CB-CB 3.83Å; N532-D535 WeakPolarHBondContact CB-OD2 3.29Å; N532-D535 PolarHBondContact ND2-OD1 3.11Å; N532-D535 PolarHBondContact ND2-OD2 3.18Å; D535-P537 VanDerWaalsContact O-CD 3.25Å; D535-P537 WeakPolarHBondContact O-CD 3.48Å; D535-M544 HydrophobicContact CB-CE 4.41Å; D535-M544 WeakPolarHBondContact OD1-CE 3.35Å
536V47.1Very low61.1Low94 Ų9465.1 Ų65.157%0.5738%0.381SS*.  trans-70.5121.4177.6-172.60000108.9K533 F534 G538K533-V536 WeakPolarHBondContact O-CG2 3.35Å; F534-V536 VanDerWaalsContact C-N 3.31Å; F534-V536 PolarHBondContact O-N 3.27Å; V536-G538 PolarHBondContact O-N 3.49Å
537P40.3Very low60.6Low106 Ų10668.9 Ų68.969%0.68840%0.397SS*.THydrogen-bonded Turntrans-63.5110.8171.5-13.928000108.4D535D535-P537 VanDerWaalsContact O-CD 3.25Å; D535-P537 WeakPolarHBondContact O-CD 3.48Å
538G42.4Very low60.2Low59 Ų5968.7 Ų68.761%0.60839%0.393SS*.THydrogen-bonded Turntrans138.4-14.4172.800000117.3V536V536-G538 PolarHBondContact O-N 3.49Å
539E36.9Very low59.8Low170 Ų17069.9 Ų69.979%0.79440%0.399SS*.SBendtrans-120.2110.5-179.8-70-171.9172.800112.9N541E539-N541 PolarHBondContact O-N 3.45Å
540A42.2Very low59.5Low106 Ų10668.2 Ų68.288%0.87639%0.388SS*.SBendtrans58.426.3153.200000120.2
541N50.4Low59Low91 Ų9172.1 Ų72.149%0.48741%0.409SS..  trans-131.386.4170.5-153.4-4.6000112.4E539 E543 M544 D545E539-N541 PolarHBondContact O-N 3.45Å; N541-E543 PolarHBondContact O-N 2.96Å; N541-E543 VanDerWaalsContact O-N 3.08Å; N541-M544 HydrophobicContact CB-CB 4.02Å; N541-M544 HydrophobicContact CB-CG 4.49Å; N541-M544 WeakPolarHBondContact O-CB 3.48Å; N541-M544 PolarHBondContact O-N 2.9Å; N541-D545 PolarHBondContact O-N 3.04Å
542T53.6Low58.8Low105 Ų10572.7 Ų72.764%0.64441%0.411SS*.Hα-helixtrans-54.1-31.4-174.4-8.60000113.3A546T542-A546 WeakPolarHBondContact O-CB 3.46Å; T542-A546 PolarHBondContact O-N 3.37Å; T542-A546 VanDerWaalsContact O-N 3.08Å
543E53.2Low59Low101 Ų10170.6 Ų70.647%0.47240%0.4SS..Hα-helixtrans-77.5-34178.8-157.5-175.2-177.300112.8N541 A546 K547 K635N541-E543 PolarHBondContact O-N 2.96Å; N541-E543 VanDerWaalsContact O-N 3.08Å; E543-A546 WeakPolarHBondContact O-CB 3.49Å; E543-A546 PolarHBondContact O-N 3.24Å; E543-K547 VanDerWaalsContact O-CG 3.27Å; E543-K547 WeakPolarHBondContact O-CG 3.24Å; E543-K547 PolarHBondContact O-N 3.21Å; E543-K635 IonicContact OE1-NZ 2.63Å; E543-K635 PolarHBondContact OE1-NZ 3.09Å
544M51.8Low59.4Low58 Ų5869 Ų6929%0.28639%0.393SS..Hα-helixtrans-72.5-37.8173.6-92.1-82.3-73.500111.7D535 N541 A546 K547 T548D535-M544 HydrophobicContact CB-CE 4.41Å; D535-M544 WeakPolarHBondContact OD1-CE 3.35Å; N541-M544 HydrophobicContact CB-CB 4.02Å; N541-M544 HydrophobicContact CB-CG 4.49Å; N541-M544 WeakPolarHBondContact O-CB 3.48Å; N541-M544 PolarHBondContact O-N 2.9Å; M544-A546 VanDerWaalsContact C-N 3.33Å; M544-K547 PolarHBondContact O-N 2.92Å; M544-T548 WeakPolarHBondContact O-CB 3.21Å; M544-T548 PolarHBondContact O-N 3.46Å; M544-T548 PolarHBondContact O-OG1 2.78Å
545D61.1Low59.8Low62 Ų6268 Ų6833%0.33239%0.387SS..Hα-helixtrans-61.9-42.2170.8-77.2-20000111N541 K547 T548 L549N541-D545 PolarHBondContact O-N 3.04Å; D545-K547 PolarHBondContact O-N 3.37Å; D545-T548 PolarHBondContact O-N 3.17Å; D545-L549 WeakPolarHBondContact O-CB 3.48Å; D545-L549 PolarHBondContact O-N 3.43Å
546A64.9Low60.9Low3 Ų364.7 Ų64.73%0.02537%0.369CS..Hα-helixtrans-61.1-42.8174.100000112T542 E543 M544 L550 L630 L633 K635T542-A546 WeakPolarHBondContact O-CB 3.46Å; T542-A546 PolarHBondContact O-N 3.37Å; T542-A546 VanDerWaalsContact O-N 3.08Å; E543-A546 WeakPolarHBondContact O-CB 3.49Å; E543-A546 PolarHBondContact O-N 3.24Å; M544-A546 VanDerWaalsContact C-N 3.33Å; A546-L550 WeakPolarHBondContact O-CB 3.21Å; A546-L550 PolarHBondContact O-N 2.8Å; A546-L630 WeakPolarHBondContact O-CD2 3.41Å; A546-L633 HydrophobicContact CB-CD1 3.8Å; A546-K635 HydrophobicContact CB-CG 4.25Å
547K63.9Low62.6Low92 Ų9260.2 Ų60.240%0.434%0.342SS..Hα-helixtrans-66-44.1177.4-74.4169.7-174.6173.20112.2E543 M544 D545 L550 L551E543-K547 VanDerWaalsContact O-CG 3.27Å; E543-K547 WeakPolarHBondContact O-CG 3.24Å; E543-K547 PolarHBondContact O-N 3.21Å; M544-K547 PolarHBondContact O-N 2.92Å; D545-K547 PolarHBondContact O-N 3.37Å; K547-L550 WeakPolarHBondContact O-CB 3.4Å; K547-L550 PolarHBondContact O-N 3.37Å; K547-L551 PolarHBondContact O-N 2.98Å
548T66.3Low64.6Low52 Ų5256 Ų5632%0.31931%0.314SS..Hα-helixtrans-66-41.4178.2-57.90000110.8M544 D545 L551 N552M544-T548 WeakPolarHBondContact O-CB 3.21Å; M544-T548 PolarHBondContact O-N 3.46Å; M544-T548 PolarHBondContact O-OG1 2.78Å; D545-T548 PolarHBondContact O-N 3.17Å; T548-L551 PolarHBondContact O-N 3.46Å; T548-N552 WeakPolarHBondContact O-CB 3.36Å; T548-N552 PolarHBondContact O-N 2.79Å; T548-N552 PolarHBondContact O-ND2 3.04Å
549L71.3Confident66.4Low27 Ų2753.3 Ų53.314%0.14129%0.286CS..Hα-helixtrans-62.1-43.2173.8-173.266.7000111.6D545 L551 N552 T553 N626 R629 L630D545-L549 WeakPolarHBondContact O-CB 3.48Å; D545-L549 PolarHBondContact O-N 3.43Å; L549-L551 PolarHBondContact O-N 3.25Å; L549-N552 PolarHBondContact O-N 3.15Å; L549-T553 WeakPolarHBondContact O-CB 3.3Å; L549-T553 PolarHBondContact O-N 3Å; L549-T553 PolarHBondContact O-OG1 2.61Å; L549-N626 HydrophobicContact CD1-CB 4.01Å; L549-N626 VanDerWaalsContact CD1-CG 3.5Å; L549-N626 WeakPolarHBondContact CD1-OD1 3.44Å; L549-N626 HydrophobicContact CG-CB 4.31Å; L549-R629 HydrophobicContact CD2-CB 3.98Å; L549-R629 HydrophobicContact CD2-CG 3.8Å; L549-L630 HydrophobicContact CB-CD2 4.16Å; L549-L630 HydrophobicContact CD2-CD2 3.97Å; L549-L630 HydrophobicContact CD2-CG 3.87Å; L549-L630 HydrophobicContact CG-CD1 4.37Å; L549-L630 HydrophobicContact CG-CD2 4.1Å; L549-L630 HydrophobicContact CG-CG 4.05Å
550L74.1Confident68.7Low19 Ų1945.2 Ų45.210%0.09925%0.248CC..Hα-helixtrans-59.8-45.7176.1-173.370.5000111.5A546 K547 T553 K554 L630 V636 L645A546-L550 WeakPolarHBondContact O-CB 3.21Å; A546-L550 PolarHBondContact O-N 2.8Å; K547-L550 WeakPolarHBondContact O-CB 3.4Å; K547-L550 PolarHBondContact O-N 3.37Å; L550-T553 PolarHBondContact O-N 3.22Å; L550-K554 WeakPolarHBondContact O-CG 3.42Å; L550-K554 PolarHBondContact O-N 3.19Å; L550-L630 HydrophobicContact CB-CD1 4.41Å; L550-L630 HydrophobicContact CB-CD2 4Å; L550-L630 HydrophobicContact CD1-CD1 3.92Å; L550-L630 HydrophobicContact CD1-CD2 4.3Å; L550-V636 HydrophobicContact CD1-CG1 4.07Å; L550-L645 HydrophobicContact CD1-CD2 3.64Å
551L69.4Low70.8Confident84 Ų8440.2 Ų40.244%0.4421%0.206SC..Hα-helixtrans-64.4-47.9179.5-166.1102.6000112L452 K547 T548 L549 T553 K554 R555L452-L551 HydrophobicContact CB-CD1 4.43Å; L452-L551 HydrophobicContact CD1-CD1 4.49Å; K547-L551 PolarHBondContact O-N 2.98Å; T548-L551 PolarHBondContact O-N 3.46Å; L549-L551 PolarHBondContact O-N 3.25Å; L551-T553 PolarHBondContact O-N 3.09Å; L551-K554 PolarHBondContact O-N 2.8Å; L551-R555 PolarHBondContact O-N 3.23Å
552N73.3Confident72.2Confident38 Ų3839.3 Ų39.320%0.20320%0.196CC..Hα-helixtrans-58.5-40.4175.8-74.3-24000110.8T548 L549 R555 L556T548-N552 WeakPolarHBondContact O-CB 3.36Å; T548-N552 PolarHBondContact O-N 2.79Å; T548-N552 PolarHBondContact O-ND2 3.04Å; L549-N552 PolarHBondContact O-N 3.15Å; N552-R555 PolarHBondContact O-N 3.29Å; N552-L556 WeakPolarHBondContact O-CG 3.36Å; N552-L556 PolarHBondContact O-N 2.96Å
553T80.3Confident73.6Confident0 Ų035.3 Ų35.30%017%0.17CC..Hα-helixtrans-65.8-44177.8-53.40000112L549 L550 L551 R555 L556 I557 I623 N626 L627 L630L549-T553 WeakPolarHBondContact O-CB 3.3Å; L549-T553 PolarHBondContact O-N 3Å; L549-T553 PolarHBondContact O-OG1 2.61Å; L550-T553 PolarHBondContact O-N 3.22Å; L551-T553 PolarHBondContact O-N 3.09Å; T553-R555 VanDerWaalsContact C-N 3.33Å; T553-R555 PolarHBondContact O-N 3.48Å; T553-L556 PolarHBondContact O-N 2.98Å; T553-I557 HydrophobicContact CG2-CD1 4Å; T553-I557 HydrophobicContact CG2-CG1 4.5Å; T553-I557 VanDerWaalsContact O-CG1 3.23Å; T553-I557 WeakPolarHBondContact O-CG1 3.47Å; T553-I557 PolarHBondContact O-N 3.08Å; T553-I623 HydrophobicContact CG2-CG2 4.17Å; T553-N626 HydrophobicContact CG2-CB 4.08Å; T553-N626 WeakPolarHBondContact OG1-CB 3.24Å; T553-N626 PolarHBondContact OG1-ND2 2.74Å; T553-L627 HydrophobicContact CG2-CD2 4.08Å; T553-L627 HydrophobicContact CG2-CG 4.25Å; T553-L630 HydrophobicContact CG2-CD1 4.34Å
554K80.4Confident75Confident24 Ų2430.7 Ų30.710%0.10415%0.148CC..Hα-helixtrans-57.8-43.3173.6-76178.6178178.90112.1L550 L551 I557 V558 L645 D648L550-K554 WeakPolarHBondContact O-CG 3.42Å; L550-K554 PolarHBondContact O-N 3.19Å; L551-K554 PolarHBondContact O-N 2.8Å; K554-I557 PolarHBondContact O-N 3.39Å; K554-V558 WeakPolarHBondContact O-CG2 3.47Å; K554-V558 PolarHBondContact O-N 3.41Å; K554-L645 HydrophobicContact CD-CD2 4.36Å; K554-L645 HydrophobicContact CG-CD2 3.81Å; K554-D648 WeakPolarHBondContact CE-OD2 3.46Å; K554-D648 VanDerWaalsContact NZ-CB 3.26Å; K554-D648 IonicContact NZ-OD2 3.31Å; K554-D648 PolarHBondContact NZ-OD2 2.96Å
555R76.2Confident76.4Confident65 Ų6531 Ų3125%0.24516%0.155CC..Hα-helixtrans-62.8-44.3177.3-177.2176.3166.4-172.3-9.8112L551 N552 T553 I557 V558 D559 D612L551-R555 PolarHBondContact O-N 3.23Å; N552-R555 PolarHBondContact O-N 3.29Å; T553-R555 VanDerWaalsContact C-N 3.33Å; T553-R555 PolarHBondContact O-N 3.48Å; R555-I557 VanDerWaalsContact C-N 3.35Å; R555-V558 PolarHBondContact O-N 3.26Å; R555-D559 PolarHBondContact O-N 3.15Å; R555-D559 VanDerWaalsContact O-N 3.12Å; R555-D612 IonicContact NH2-OD1 2.7Å; R555-D612 PolarHBondContact NH2-OD1 3.37Å; R555-D612 IonicContact NH2-OD2 2.69Å; R555-D612 PolarHBondContact NH2-OD2 3.07Å
556L80.1Confident77.4Confident3 Ų328.7 Ų28.72%0.01615%0.145CC..Hα-helixtrans-62.4-42.7175.5-67.8172.1000111.3N552 T553 V558 D559 V560 D611 K619 K622 I623N552-L556 WeakPolarHBondContact O-CG 3.36Å; N552-L556 PolarHBondContact O-N 2.96Å; T553-L556 PolarHBondContact O-N 2.98Å; L556-V558 PolarHBondContact O-N 3.14Å; L556-D559 PolarHBondContact O-N 3.19Å; L556-V560 WeakPolarHBondContact O-CG2 3.48Å; L556-V560 PolarHBondContact O-N 2.95Å; L556-D611 HydrophobicContact CD2-CB 4.36Å; L556-K619 HydrophobicContact CD2-CB 4.23Å; L556-K619 HydrophobicContact CD2-CD 3.79Å; L556-K619 HydrophobicContact CD2-CG 3.8Å; L556-K622 HydrophobicContact CD1-CB 4.3Å; L556-K622 HydrophobicContact CD1-CD 4.11Å; L556-K622 HydrophobicContact CD1-CG 4.03Å; L556-I623 HydrophobicContact CB-CD1 3.78Å; L556-I623 HydrophobicContact CB-CG1 3.48Å; L556-I623 VanDerWaalsContact CB-CG1 3.48Å; L556-I623 HydrophobicContact CD1-CG1 4.24Å
557I83.4Confident78.2Confident0 Ų036.1 Ų36.10%018%0.179CC..Hα-helixtrans-58.6-48.1175.7-69.3164.3000110.3T553 K554 R555 D559 V560 I561 L569 I623 L645 I646 I649T553-I557 HydrophobicContact CG2-CD1 4Å; T553-I557 HydrophobicContact CG2-CG1 4.5Å; T553-I557 VanDerWaalsContact O-CG1 3.23Å; T553-I557 WeakPolarHBondContact O-CG1 3.47Å; T553-I557 PolarHBondContact O-N 3.08Å; K554-I557 PolarHBondContact O-N 3.39Å; R555-I557 VanDerWaalsContact C-N 3.35Å; I557-D559 VanDerWaalsContact C-N 3.28Å; I557-D559 PolarHBondContact O-N 3.44Å; I557-V560 PolarHBondContact O-N 3.48Å; I557-V560 VanDerWaalsContact O-N 3.09Å; I557-I561 HydrophobicContact CG2-CD1 4.44Å; I557-I561 HydrophobicContact CG2-CG2 3.84Å; I557-I561 VanDerWaalsContact O-CG1 3.28Å; I557-I561 WeakPolarHBondContact O-CG1 3.45Å; I557-I561 VanDerWaalsContact O-CG2 3.3Å; I557-I561 WeakPolarHBondContact O-CG2 3.5Å; I557-I561 PolarHBondContact O-N 2.9Å; I557-L569 HydrophobicContact CD1-CD2 3.74Å; I557-L569 HydrophobicContact CG1-CD1 4.19Å; I557-L569 HydrophobicContact CG1-CD2 4.22Å; I557-L569 HydrophobicContact CG2-CD1 3.8Å; I557-I623 HydrophobicContact CD1-CG2 4.41Å; I557-I623 HydrophobicContact CG1-CD1 4.02Å; I557-I623 HydrophobicContact CG1-CG1 4.25Å; I557-I623 HydrophobicContact CG1-CG2 3.94Å; I557-L645 HydrophobicContact CD1-CD1 3.98Å; I557-I646 HydrophobicContact CG2-CD1 4.24Å; I557-I649 HydrophobicContact CB-CD1 4.19Å; I557-I649 HydrophobicContact CG2-CD1 3.62Å
558V81.6Confident79.1Confident16 Ų1633.2 Ų33.210%0.09717%0.17CC..Hα-helixtrans-56-41178160.40000112.6V38 L41 K554 R555 L556 I561 I649V38-V558 HydrophobicContact CG1-CG1 3.68Å; L41-V558 HydrophobicContact CD1-CG1 4.27Å; L41-V558 HydrophobicContact CD1-CG2 3.94Å; K554-V558 WeakPolarHBondContact O-CG2 3.47Å; K554-V558 PolarHBondContact O-N 3.41Å; R555-V558 PolarHBondContact O-N 3.26Å; L556-V558 PolarHBondContact O-N 3.14Å; V558-I561 WeakPolarHBondContact O-CG1 3.45Å; V558-I649 HydrophobicContact CG2-CD1 4.1Å; V558-I649 HydrophobicContact CG2-CG1 4.21Å; V558-I649 HydrophobicContact CG2-CG2 3.94Å
559D79.9Confident79.9Confident3 Ų331 Ų312%0.01616%0.156CC..Hα-helixtrans-68.7-41.2176.5-72.2-19.8000111.3R555 L556 I557 F563 R592 K619R555-D559 PolarHBondContact O-N 3.15Å; R555-D559 VanDerWaalsContact O-N 3.12Å; L556-D559 PolarHBondContact O-N 3.19Å; I557-D559 VanDerWaalsContact C-N 3.28Å; I557-D559 PolarHBondContact O-N 3.44Å; D559-F563 WeakPolarHBondContact O-CD2 3.47Å; D559-R592 IonicContact OD1-NH1 3.12Å; D559-R592 PolarHBondContact OD1-NH1 2.94Å; D559-K619 HydrophobicContact CB-CD 4.25Å; D559-K619 IonicContact OD2-NZ 3.25Å; D559-K619 PolarHBondContact OD2-NZ 2.91Å
560V84.9Confident80.5Confident1 Ų131.5 Ų31.51%0.00616%0.16CC..Hα-helixtrans-69.9-48.5-178.4171.50000112.4L556 I557 R562 F563 Q564 I572 L616 K619 K620 I623L556-V560 WeakPolarHBondContact O-CG2 3.48Å; L556-V560 PolarHBondContact O-N 2.95Å; I557-V560 PolarHBondContact O-N 3.48Å; I557-V560 VanDerWaalsContact O-N 3.09Å; V560-R562 PolarHBondContact O-N 3.29Å; V560-R562 VanDerWaalsContact O-N 3.09Å; V560-F563 PolarHBondContact O-N 2.92Å; V560-F563 VanDerWaalsContact O-N 3.17Å; V560-Q564 HydrophobicContact CG1-CB 4.49Å; V560-Q564 PolarHBondContact O-N 3.3Å; V560-I572 HydrophobicContact CG1-CG2 3.64Å; V560-L616 HydrophobicContact CB-CD1 4.44Å; V560-L616 HydrophobicContact CG2-CD1 4.13Å; V560-K619 HydrophobicContact CG2-CB 3.94Å; V560-K620 HydrophobicContact CG1-CD 4.22Å; V560-K620 HydrophobicContact CG1-CG 3.83Å; V560-K620 HydrophobicContact CG2-CG 3.91Å; V560-I623 HydrophobicContact CB-CD1 4.28Å; V560-I623 HydrophobicContact CG2-CD1 3.7Å
561I85.6Confident80.9Confident0 Ų035 Ų350%018%0.176CC..Hα-helixtrans-63.5-21.4-175.165.1-177000112.9M31 R35 V38 I557 V558 L569 I572M31-I561 HydrophobicContact CE-CB 3.45Å; M31-I561 VanDerWaalsContact CE-CB 3.45Å; M31-I561 HydrophobicContact CE-CD1 3.59Å; M31-I561 HydrophobicContact CE-CG1 4.02Å; M31-I561 HydrophobicContact CE-CG2 3.36Å; M31-I561 HydrophobicContact SD-CG2 4.39Å; R35-I561 WeakPolarHBondContact CD-O 3.44Å; R35-I561 WeakPolarHBondContact CG-O 3.44Å; V38-I561 HydrophobicContact CG1-CD1 4.47Å; V38-I561 HydrophobicContact CG2-CD1 3.39Å; V38-I561 HydrophobicContact CG2-CG1 3.97Å; I557-I561 HydrophobicContact CG2-CD1 4.44Å; I557-I561 HydrophobicContact CG2-CG2 3.84Å; I557-I561 VanDerWaalsContact O-CG1 3.28Å; I557-I561 WeakPolarHBondContact O-CG1 3.45Å; I557-I561 VanDerWaalsContact O-CG2 3.3Å; I557-I561 WeakPolarHBondContact O-CG2 3.5Å; I557-I561 PolarHBondContact O-N 2.9Å; V558-I561 WeakPolarHBondContact O-CG1 3.45Å; I561-L569 HydrophobicContact CG2-CD1 4.41Å; I561-I572 HydrophobicContact CG2-CD1 4.02Å
562R81.4Confident81.6Confident72 Ų7231 Ų3127%0.27216%0.155SC..Hα-helixtrans-67.5-36.7179.1-175.4178.2-67.2-156.81.2112.3D42 V560D42-R562 IonicContact OD1-CZ 2.96Å; D42-R562 IonicContact OD1-NH1 3.14Å; D42-R562 IonicContact OD1-NH2 3.96Å; D42-R562 PolarHBondContact OD1-NH2 3.39Å; D42-R562 IonicContact OD2-CZ 2.71Å; D42-R562 IonicContact OD2-NH1 3.45Å; D42-R562 PolarHBondContact OD2-NH1 3.17Å; D42-R562 IonicContact OD2-NH2 3.22Å; D42-R562 PolarHBondContact OD2-NH2 2.92Å; V560-R562 PolarHBondContact O-N 3.29Å; V560-R562 VanDerWaalsContact O-N 3.09Å
563F82.7Confident82.2Confident22 Ų2229.5 Ų29.510%0.09615%0.147CC..Hα-helixtrans-107.5-20.1-173.3-56.2-78.4000112.7D559 V560 E584 Y585 A588 L616D559-F563 WeakPolarHBondContact O-CD2 3.47Å; V560-F563 PolarHBondContact O-N 2.92Å; V560-F563 VanDerWaalsContact O-N 3.17Å; F563-E584 HydrophobicContact CD1-CB 4.31Å; F563-E584 HydrophobicContact CD1-CG 4.05Å; F563-E584 HydrophobicContact CE1-CG 4.05Å; F563-Y585 AromaticContact CD2-CD2 3.78Å; F563-Y585 HydrophobicContact CD2-CD2 3.78Å; F563-Y585 HydrophobicContact CD2-CG 4.35Å; F563-Y585 AromaticContact CE2-CD2 3.67Å; F563-Y585 HydrophobicContact CE2-CD2 3.67Å; F563-Y585 HydrophobicContact CE2-CG 4.46Å; F563-Y585 HydrophobicContact CZ-CD2 4.45Å; F563-A588 HydrophobicContact CE1-CB 4.01Å; F563-A588 HydrophobicContact CZ-CB 3.51Å; F563-L616 HydrophobicContact CB-CD2 4.27Å
564Q82.5Confident82.3Confident4 Ų435 Ų352%0.01918%0.176CC..SBendtrans-110.3119.3-178.7-166.4155.58.800112.4V560 I572 S575 K620V560-Q564 HydrophobicContact CG1-CB 4.49Å; V560-Q564 PolarHBondContact O-N 3.3Å; Q564-I572 HydrophobicContact CB-CG2 3.99Å; Q564-I572 HydrophobicContact CG-CG2 4.01Å; Q564-I572 PolarHBondContact NE2-O 2.86Å; Q564-S575 PolarHBondContact NE2-O 2.87Å; Q564-S575 PolarHBondContact NE2-OG 3.26Å; Q564-K620 VanDerWaalsContact CD-NZ 3.25Å
565P81.5Confident82.4Confident65 Ų6535.9 Ų35.942%0.42219%0.185SC..  trans-72.1144.8173.929.6-33.4000112.4
566G81.6Confident82.6Confident13 Ų1338.8 Ų38.813%0.13421%0.21CC..  trans179.8162.4167.400000111.4
567E80.9Confident82.5Confident158 Ų15839.8 Ų39.874%0.73822%0.219SC*.SBendtrans-86.6-27.6178.9-63.7-166.6161.100112.2M31 E571M31-E567 WeakPolarHBondContact CB-O 3.39Å; E567-E571 PolarHBondContact N-OE2 3.27Å
568T83.4Confident82.5Confident32 Ų3241.6 Ų41.620%0.19623%0.232CC..SBendtrans-132.3155.8178.760.20000111.9T570 E571 I572T568-T570 VanDerWaalsContact C-N 3.28Å; T568-T570 PolarHBondContact O-N 2.89Å; T568-T570 PolarHBondContact OG1-OG1 2.85Å; T568-E571 PolarHBondContact O-N 3.37Å; T568-E571 WeakPolarHBondContact OG1-CB 3.5Å; T568-E571 PolarHBondContact OG1-N 3.5Å; T568-I572 WeakPolarHBondContact O-CG1 3.31Å; T568-I572 PolarHBondContact O-N 2.76Å; T568-I572 VanDerWaalsContact O-N 3.13Å
569L83.6Confident82.5Confident4 Ų446.4 Ų46.42%0.02126%0.264CS..Hα-helixtrans-61.1-38.3178.8-177.660.8000111.8I557 I561 I572 L573 L627 I646I557-L569 HydrophobicContact CD1-CD2 3.74Å; I557-L569 HydrophobicContact CG1-CD1 4.19Å; I557-L569 HydrophobicContact CG1-CD2 4.22Å; I557-L569 HydrophobicContact CG2-CD1 3.8Å; I561-L569 HydrophobicContact CG2-CD1 4.41Å; L569-I572 PolarHBondContact O-N 3.11Å; L569-L573 HydrophobicContact CD1-CD1 4.36Å; L569-L573 HydrophobicContact CD1-CG 4.29Å; L569-L573 HydrophobicContact CG-CD1 3.99Å; L569-L573 HydrophobicContact CG-CG 4.36Å; L569-L573 WeakPolarHBondContact O-CB 3.3Å; L569-L573 VanDerWaalsContact O-CG 3.24Å; L569-L573 WeakPolarHBondContact O-CG 3.23Å; L569-L573 PolarHBondContact O-N 2.94Å; L569-L627 HydrophobicContact CD2-CD1 4.44Å; L569-I646 HydrophobicContact CB-CD1 4.44Å; L569-I646 HydrophobicContact CD2-CD1 4.48Å
570T83.4Confident82.6Confident39 Ų3954 Ų5424%0.23930%0.299CS..Hα-helixtrans-61.1-45.2177.146.90000112.1T568 I572 L573 D574 R641 Y642T568-T570 VanDerWaalsContact C-N 3.28Å; T568-T570 PolarHBondContact O-N 2.89Å; T568-T570 PolarHBondContact OG1-OG1 2.85Å; T570-I572 VanDerWaalsContact C-N 3.34Å; T570-I572 PolarHBondContact O-N 2.84Å; T570-L573 PolarHBondContact O-N 2.78Å; T570-L573 VanDerWaalsContact O-N 3.15Å; T570-D574 PolarHBondContact O-N 2.83Å; T570-R641 HydrophobicContact CG2-CB 4.26Å; T570-Y642 HydrophobicContact CG2-CD2 3.93Å; T570-Y642 HydrophobicContact CG2-CE2 4.01Å
571E83.8Confident82.4Confident93 Ų9355.8 Ų55.844%0.43531%0.307SS..Hα-helixtrans-63.4-39.8177.3-175-170.8-174.200112.2E567 T568 L573 D574 S575E567-E571 PolarHBondContact N-OE2 3.27Å; T568-E571 PolarHBondContact O-N 3.37Å; T568-E571 WeakPolarHBondContact OG1-CB 3.5Å; T568-E571 PolarHBondContact OG1-N 3.5Å; E571-L573 VanDerWaalsContact C-N 3.33Å; E571-D574 PolarHBondContact O-N 2.76Å; E571-S575 WeakPolarHBondContact O-CB 3.33Å; E571-S575 PolarHBondContact O-N 2.91Å; E571-S575 PolarHBondContact O-OG 3.42Å
572I84Confident82.2Confident0 Ų057.3 Ų57.30%031%0.314CS..Hα-helixtrans-62.9-43.2174.3-67.5173.4000110.1M31 V560 I561 Q564 T568 L569 T570 D574 S575 K620M31-I572 HydrophobicContact CE-CD1 4.4Å; M31-I572 HydrophobicContact CG-CD1 4.09Å; V560-I572 HydrophobicContact CG1-CG2 3.64Å; I561-I572 HydrophobicContact CG2-CD1 4.02Å; Q564-I572 HydrophobicContact CB-CG2 3.99Å; Q564-I572 HydrophobicContact CG-CG2 4.01Å; Q564-I572 PolarHBondContact NE2-O 2.86Å; T568-I572 WeakPolarHBondContact O-CG1 3.31Å; T568-I572 PolarHBondContact O-N 2.76Å; T568-I572 VanDerWaalsContact O-N 3.13Å; L569-I572 PolarHBondContact O-N 3.11Å; T570-I572 VanDerWaalsContact C-N 3.34Å; T570-I572 PolarHBondContact O-N 2.84Å; I572-D574 VanDerWaalsContact C-N 3.35Å; I572-D574 PolarHBondContact O-N 2.9Å; I572-S575 PolarHBondContact O-OG 2.92Å; I572-K620 WeakPolarHBondContact O-CE 3.42Å; I572-K620 PolarHBondContact O-NZ 3.44Å
573L84.4Confident82.3Confident6 Ų655.3 Ų55.33%0.03131%0.314CS..Hα-helixtrans-69.3-29.2-179.2-70.3174.7000113.3L569 T570 E571 K620 I623 K624 L627L569-L573 HydrophobicContact CD1-CD1 4.36Å; L569-L573 HydrophobicContact CD1-CG 4.29Å; L569-L573 HydrophobicContact CG-CD1 3.99Å; L569-L573 HydrophobicContact CG-CG 4.36Å; L569-L573 WeakPolarHBondContact O-CB 3.3Å; L569-L573 VanDerWaalsContact O-CG 3.24Å; L569-L573 WeakPolarHBondContact O-CG 3.23Å; L569-L573 PolarHBondContact O-N 2.94Å; T570-L573 PolarHBondContact O-N 2.78Å; T570-L573 VanDerWaalsContact O-N 3.15Å; E571-L573 VanDerWaalsContact C-N 3.33Å; L573-K620 HydrophobicContact CD2-CB 4.05Å; L573-K620 HydrophobicContact CD2-CG 4.15Å; L573-K620 WeakPolarHBondContact O-CE 3.48Å; L573-I623 HydrophobicContact CD1-CG2 3.82Å; L573-I623 HydrophobicContact CD2-CB 3.93Å; L573-I623 HydrophobicContact CD2-CD1 4.08Å; L573-I623 HydrophobicContact CD2-CG2 3.75Å; L573-I623 HydrophobicContact CG-CG2 4.43Å; L573-K624 HydrophobicContact CB-CG 4.44Å; L573-K624 HydrophobicContact CD1-CG 4.38Å; L573-K624 WeakPolarHBondContact O-CE 3.36Å; L573-K624 PolarHBondContact O-NZ 3.45Å; L573-L627 HydrophobicContact CD1-CD1 3.74Å
574D83.1Confident82.3Confident115 Ų11559.4 Ų59.462%0.61533%0.333SS*.Hα-helixtrans-92.3-23.8-177.6-67-27.9000114.3T570 E571 I572 K624T570-D574 PolarHBondContact O-N 2.83Å; E571-D574 PolarHBondContact O-N 2.76Å; I572-D574 VanDerWaalsContact C-N 3.35Å; I572-D574 PolarHBondContact O-N 2.9Å; D574-K624 WeakPolarHBondContact OD1-CE 3.37Å; D574-K624 IonicContact OD1-NZ 2.6Å; D574-K624 PolarHBondContact OD1-NZ 2.93Å
575S83.2Confident82.3Confident42 Ų4259.4 Ų59.429%0.29433%0.333SS..SBendtrans-71.1145.8177.346.60000112.9Q564 E571 I572 K620Q564-S575 PolarHBondContact NE2-O 2.87Å; Q564-S575 PolarHBondContact NE2-OG 3.26Å; E571-S575 WeakPolarHBondContact O-CB 3.33Å; E571-S575 PolarHBondContact O-N 2.91Å; E571-S575 PolarHBondContact O-OG 3.42Å; I572-S575 PolarHBondContact O-OG 2.92Å; S575-K620 PolarHBondContact O-NZ 3.45Å
576T78.8Confident82.2Confident126 Ų12661 Ų6177%0.77333%0.334SS*.PPolyproline II helixtrans-77.1134.2177.852.20000111.7
577A79.7Confident82.3Confident24 Ų2467.4 Ų67.420%0.19836%0.355CS..PPolyproline II helixtrans-69132.2173.300000111.1L616A577-L616 HydrophobicContact CB-CD2 3.9Å; A577-L616 HydrophobicContact CB-CG 4.47Å
578S82.9Confident82.1Confident39 Ų3961.3 Ų61.327%0.27333%0.331SS..PPolyproline II helixtrans-77.9155176.5840000111.7E580 Q581 E582S578-E580 PolarHBondContact O-N 3.5Å; S578-Q581 PolarHBondContact O-N 3.5Å; S578-Q581 VanDerWaalsContact O-N 3.14Å; S578-Q581 VanDerWaalsContact OG-CG 3.31Å; S578-Q581 WeakPolarHBondContact OG-CG 3.32Å; S578-Q581 PolarHBondContact OG-N 2.94Å; S578-E582 PolarHBondContact O-N 2.88Å
579P80.8Confident81.9Confident117 Ų11761 Ų6176%0.7633%0.328SS*.Hα-helixtrans-58.1-31.7176.7-23.333000113.3A583P579-A583 WeakPolarHBondContact O-CB 3.49Å; P579-A583 PolarHBondContact O-N 3.34Å
580E81.6Confident81.5Confident161 Ų16166.7 Ų66.775%0.75235%0.354SS*.Hα-helixtrans-70.5-42.2177.1-65.2-177.5170.500112.1S578 A583 E584S578-E580 PolarHBondContact O-N 3.5Å; E580-A583 PolarHBondContact O-N 3.47Å; E580-E584 PolarHBondContact O-N 2.85Å
581Q82.1Confident81.2Confident40 Ų4073.6 Ų73.619%0.18738%0.376CS..Hα-helixtrans-64.4-41.1176.3-71.6167.3-16.800111.3S578 E584 Y585 L616S578-Q581 PolarHBondContact O-N 3.5Å; S578-Q581 VanDerWaalsContact O-N 3.14Å; S578-Q581 VanDerWaalsContact OG-CG 3.31Å; S578-Q581 WeakPolarHBondContact OG-CG 3.32Å; S578-Q581 PolarHBondContact OG-N 2.94Å; Q581-E584 PolarHBondContact O-N 3.27Å; Q581-Y585 WeakPolarHBondContact O-CB 3.26Å; Q581-Y585 PolarHBondContact O-N 3.31Å; Q581-L616 HydrophobicContact CB-CD2 4.41Å
582E81.9Confident80.6Confident31 Ų3172.2 Ų72.215%0.14537%0.367CS..Hα-helixtrans-63.5-43.7175.9-167.370.6-136.600111.2S578 E584 Y585 Q586 T615 L616S578-E582 PolarHBondContact O-N 2.88Å; E582-E584 PolarHBondContact O-N 2.98Å; E582-Y585 PolarHBondContact O-N 2.83Å; E582-Q586 WeakPolarHBondContact O-CG 2.95Å; E582-Q586 PolarHBondContact O-N 3.2Å; E582-T615 VanDerWaalsContact OE1-CA 3.24Å; E582-T615 WeakPolarHBondContact OE1-CA 3.4Å; E582-T615 VanDerWaalsContact OE1-CB 3.23Å; E582-T615 WeakPolarHBondContact OE1-CB 2.92Å; E582-L616 PolarHBondContact OE1-N 3.21Å; E582-L616 WeakPolarHBondContact OE2-CB 3.44Å; E582-L616 PolarHBondContact OE2-N 3.12Å
583A82.2Confident80Confident31 Ų3174.9 Ų74.926%0.25639%0.389SS..Hα-helixtrans-64.7-38.6176.600000112.4P579 E580 R587P579-A583 WeakPolarHBondContact O-CB 3.49Å; P579-A583 PolarHBondContact O-N 3.34Å; E580-A583 PolarHBondContact O-N 3.47Å; A583-R587 WeakPolarHBondContact O-CG 3.28Å; A583-R587 PolarHBondContact O-N 2.9Å; A583-R587 VanDerWaalsContact O-N 3.1Å
584E82Confident79.5Confident107 Ų10779.5 Ų79.550%0.541%0.412SS..Hα-helixtrans-65.8-44.1175.6-168175.9-168.100111.8F563 E580 Q581 E582 R587 A588F563-E584 HydrophobicContact CD1-CB 4.31Å; F563-E584 HydrophobicContact CD1-CG 4.05Å; F563-E584 HydrophobicContact CE1-CG 4.05Å; E580-E584 PolarHBondContact O-N 2.85Å; Q581-E584 PolarHBondContact O-N 3.27Å; E582-E584 PolarHBondContact O-N 2.98Å; E584-R587 PolarHBondContact O-N 3.07Å; E584-A588 PolarHBondContact O-N 2.97Å
585Y83.5Confident78.7Confident4 Ų478.9 Ų78.92%0.01640%0.401CS..Hα-helixtrans-58.4-48173.5166.1-105.4000111.8F563 Q581 E582 R587 A588 M589 L614 L616 K619F563-Y585 AromaticContact CD2-CD2 3.78Å; F563-Y585 HydrophobicContact CD2-CD2 3.78Å; F563-Y585 HydrophobicContact CD2-CG 4.35Å; F563-Y585 AromaticContact CE2-CD2 3.67Å; F563-Y585 HydrophobicContact CE2-CD2 3.67Å; F563-Y585 HydrophobicContact CE2-CG 4.46Å; F563-Y585 HydrophobicContact CZ-CD2 4.45Å; Q581-Y585 WeakPolarHBondContact O-CB 3.26Å; Q581-Y585 PolarHBondContact O-N 3.31Å; E582-Y585 PolarHBondContact O-N 2.83Å; Y585-R587 PolarHBondContact O-N 3.42Å; Y585-A588 WeakPolarHBondContact O-CB 3.22Å; Y585-A588 PolarHBondContact O-N 3.29Å; Y585-A588 VanDerWaalsContact O-N 3.12Å; Y585-M589 HydrophobicContact CD2-CE 4.35Å; Y585-M589 HydrophobicContact CD2-CG 4.01Å; Y585-M589 HydrophobicContact CE1-CG 4.07Å; Y585-M589 HydrophobicContact CE2-CE 3.95Å; Y585-M589 HydrophobicContact CE2-CG 3.46Å; Y585-M589 VanDerWaalsContact CE2-CG 3.46Å; Y585-M589 HydrophobicContact CE2-SD 3.79Å; Y585-M589 VanDerWaalsContact CZ-CG 3.49Å; Y585-M589 WeakPolarHBondContact O-CG 3.25Å; Y585-M589 PolarHBondContact O-N 3.26Å; Y585-L614 WeakPolarHBondContact CE1-O 3.3Å; Y585-L614 PolarHBondContact OH-O 3.34Å; Y585-L616 HydrophobicContact CD1-CB 4.22Å; Y585-L616 HydrophobicContact CD2-CD1 4.16Å; Y585-L616 HydrophobicContact CG-CB 4.46Å; Y585-L616 HydrophobicContact CG-CD1 4.2Å; Y585-K619 HydrophobicContact CE2-CD 4.38Å; Y585-K619 WeakPolarHBondContact OH-CD 3.2Å; Y585-K619 WeakPolarHBondContact OH-CE 3.42Å; Y585-K619 PolarHBondContact OH-NZ 2.94Å
586Q80.2Confident77.9Confident98 Ų9879.1 Ų79.146%0.45840%0.4SS..Hα-helixtrans-60.8-42.6178.6-75.7-169.94.200112.6E582 A588 M589 Q590E582-Q586 WeakPolarHBondContact O-CG 2.95Å; E582-Q586 PolarHBondContact O-N 3.2Å; Q586-A588 VanDerWaalsContact C-N 3.31Å; Q586-A588 PolarHBondContact O-N 3.43Å; Q586-M589 PolarHBondContact O-N 2.93Å; Q586-Q590 WeakPolarHBondContact O-CG 3.43Å; Q586-Q590 PolarHBondContact O-N 2.67Å
587R81.9Confident77.4Confident148 Ų14876.8 Ų76.856%0.55839%0.393SS*.Hα-helixtrans-61.8-40.1174.6-71.2-177.6-148.3129.81.6111.7A583 E584 Y585 R591A583-R587 WeakPolarHBondContact O-CG 3.28Å; A583-R587 PolarHBondContact O-N 2.9Å; A583-R587 VanDerWaalsContact O-N 3.1Å; E584-R587 PolarHBondContact O-N 3.07Å; Y585-R587 PolarHBondContact O-N 3.42Å; R587-R591 WeakPolarHBondContact O-CG 3.44Å; R587-R591 PolarHBondContact O-N 3.03Å
588A78.1Confident76.9Confident30 Ų3083.9 Ų83.925%0.24842%0.419CS..Hα-helixtrans-65.7-42.1177.500000112F563 E584 Y585 Q586 R591 R592F563-A588 HydrophobicContact CE1-CB 4.01Å; F563-A588 HydrophobicContact CZ-CB 3.51Å; E584-A588 PolarHBondContact O-N 2.97Å; Y585-A588 WeakPolarHBondContact O-CB 3.22Å; Y585-A588 PolarHBondContact O-N 3.29Å; Y585-A588 VanDerWaalsContact O-N 3.12Å; Q586-A588 VanDerWaalsContact C-N 3.31Å; Q586-A588 PolarHBondContact O-N 3.43Å; A588-R591 PolarHBondContact O-N 3.09Å; A588-R592 PolarHBondContact O-N 3.18Å
589M78.1Confident75.9Confident25 Ų2582.8 Ų82.812%0.12341%0.411CS..Hα-helixtrans-64.9-42.3176-69.5-57.4100.400112.2Y585 Q586 R591 R592 A593Y585-M589 HydrophobicContact CD2-CE 4.35Å; Y585-M589 HydrophobicContact CD2-CG 4.01Å; Y585-M589 HydrophobicContact CE1-CG 4.07Å; Y585-M589 HydrophobicContact CE2-CE 3.95Å; Y585-M589 HydrophobicContact CE2-CG 3.46Å; Y585-M589 VanDerWaalsContact CE2-CG 3.46Å; Y585-M589 HydrophobicContact CE2-SD 3.79Å; Y585-M589 VanDerWaalsContact CZ-CG 3.49Å; Y585-M589 WeakPolarHBondContact O-CG 3.25Å; Y585-M589 PolarHBondContact O-N 3.26Å; Q586-M589 PolarHBondContact O-N 2.93Å; M589-R591 PolarHBondContact O-N 3.17Å; M589-R592 WeakPolarHBondContact O-CB 3.45Å; M589-R592 PolarHBondContact O-N 3.24Å; M589-A593 WeakPolarHBondContact O-CB 3.48Å; M589-A593 PolarHBondContact O-N 3.32Å
590Q76.8Confident74.9Confident124 Ų12480.4 Ų80.458%0.57940%0.396SS*.Hα-helixtrans-61.1-43.6174.8-74.9177.6-1.100112.3Q586 R592 A593 I594Q586-Q590 WeakPolarHBondContact O-CG 3.43Å; Q586-Q590 PolarHBondContact O-N 2.67Å; Q590-R592 VanDerWaalsContact C-N 3.31Å; Q590-R592 PolarHBondContact O-N 3.2Å; Q590-A593 PolarHBondContact O-N 2.84Å; Q590-I594 WeakPolarHBondContact O-CG1 3.29Å; Q590-I594 PolarHBondContact O-N 2.8Å
591R75.3Confident73.7Confident184 Ų18480.3 Ų80.369%0.69440%0.395SS*.Hα-helixtrans-61.5-39.6175-73.3177.2-174-178.52.6111.9R587 A588 M589 R595R587-R591 WeakPolarHBondContact O-CG 3.44Å; R587-R591 PolarHBondContact O-N 3.03Å; A588-R591 PolarHBondContact O-N 3.09Å; M589-R591 PolarHBondContact O-N 3.17Å; R591-R595 PolarHBondContact O-N 2.73Å; R591-R595 VanDerWaalsContact O-N 3.16Å
592R72.2Confident72.3Confident65 Ų6587.3 Ų87.325%0.24543%0.425CS..Hα-helixtrans-64.3-45.5175.4-158.8-178.4-145.8170.511.3111.1D42 D559 A588 M589 Q590 I594 R595 D596D42-R592 IonicContact OD1-NH2 3.32Å; D42-R592 PolarHBondContact OD1-NH2 3.15Å; D559-R592 IonicContact OD1-NH1 3.12Å; D559-R592 PolarHBondContact OD1-NH1 2.94Å; A588-R592 PolarHBondContact O-N 3.18Å; M589-R592 WeakPolarHBondContact O-CB 3.45Å; M589-R592 PolarHBondContact O-N 3.24Å; Q590-R592 VanDerWaalsContact C-N 3.31Å; Q590-R592 PolarHBondContact O-N 3.2Å; R592-I594 PolarHBondContact O-N 3.31Å; R592-R595 WeakPolarHBondContact O-CB 3.39Å; R592-R595 PolarHBondContact O-N 3.43Å; R592-R595 VanDerWaalsContact O-N 3.17Å; R592-D596 WeakPolarHBondContact O-CB 3.46Å; R592-D596 VanDerWaalsContact O-CG 3.27Å; R592-D596 PolarHBondContact O-N 3.16Å
593A71.9Confident70.9Confident56 Ų5686.7 Ų86.746%0.46342%0.423SS..Hα-helixtrans-61.9-40.4178.200000112.9M589 Q590 R595 D596 A597M589-A593 WeakPolarHBondContact O-CB 3.48Å; M589-A593 PolarHBondContact O-N 3.32Å; Q590-A593 PolarHBondContact O-N 2.84Å; A593-R595 VanDerWaalsContact C-N 3.34Å; A593-D596 PolarHBondContact O-N 3.42Å; A593-A597 VanDerWaalsContact O-CB 3.32Å; A593-A597 WeakPolarHBondContact O-CB 3.5Å; A593-A597 PolarHBondContact O-N 3.3Å
594I72.9Confident69.5Low102 Ų10290.3 Ų90.352%0.52343%0.433SS..Hα-helixtrans-65-38.9175.3-66.4164.3000111.2Q590 R592 K598Q590-I594 WeakPolarHBondContact O-CG1 3.29Å; Q590-I594 PolarHBondContact O-N 2.8Å; R592-I594 PolarHBondContact O-N 3.31Å; I594-K598 WeakPolarHBondContact O-CG 3.39Å; I594-K598 PolarHBondContact O-N 3.38Å
595R66.6Low67.8Low102 Ų10289.6 Ų89.639%0.38543%0.429SS..Hα-helixtrans-66.9-45.3175.7-170.2-176-64.9174.91.1111.3H43 D45 R591 R592 A593 A597 K598 T599H43-R595 PolarHBondContact O-NH1 3.49Å; H43-R595 VanDerWaalsContact O-NH1 3.1Å; D45-R595 WeakPolarHBondContact OD1-CD 3.37Å; D45-R595 IonicContact OD1-CZ 2.73Å; D45-R595 IonicContact OD1-NE 3.15Å; D45-R595 PolarHBondContact OD1-NE 2.87Å; R591-R595 PolarHBondContact O-N 2.73Å; R591-R595 VanDerWaalsContact O-N 3.16Å; R592-R595 WeakPolarHBondContact O-CB 3.39Å; R592-R595 PolarHBondContact O-N 3.43Å; R592-R595 VanDerWaalsContact O-N 3.17Å; A593-R595 VanDerWaalsContact C-N 3.34Å; R595-A597 VanDerWaalsContact C-N 3.31Å; R595-A597 PolarHBondContact O-N 2.96Å; R595-K598 PolarHBondContact O-N 2.87Å; R595-K598 VanDerWaalsContact O-N 3.14Å; R595-T599 PolarHBondContact O-N 3.06Å; R595-T599 PolarHBondContact O-OG1 3.07Å
596D66.1Low65.7Low48 Ų4895.4 Ų95.426%0.25747%0.465SS..Hα-helixtrans-62.3-37.8177-70.1-8.3000111.7R592 A593 K598 T599 K607R592-D596 WeakPolarHBondContact O-CB 3.46Å; R592-D596 VanDerWaalsContact O-CG 3.27Å; R592-D596 PolarHBondContact O-N 3.16Å; A593-D596 PolarHBondContact O-N 3.42Å; D596-K598 VanDerWaalsContact C-N 3.28Å; D596-K598 PolarHBondContact O-N 2.81Å; D596-T599 WeakPolarHBondContact O-CB 3.49Å; D596-T599 PolarHBondContact O-N 3.05Å; D596-T599 VanDerWaalsContact O-N 3.1Å; D596-K607 IonicContact OD2-NZ 3.04Å; D596-K607 PolarHBondContact OD2-NZ 3.21Å
597A68.9Low64.2Low77 Ų7792.8 Ų92.864%0.63645%0.452SS*.Hα-helixtrans-64.8-30.8175.900000113A593 R595 T599A593-A597 VanDerWaalsContact O-CB 3.32Å; A593-A597 WeakPolarHBondContact O-CB 3.5Å; A593-A597 PolarHBondContact O-N 3.3Å; R595-A597 VanDerWaalsContact C-N 3.31Å; R595-A597 PolarHBondContact O-N 2.96Å; A597-T599 VanDerWaalsContact C-N 3.32Å
598K67.9Low62.2Low172 Ų17288.3 Ų88.375%0.74844%0.442SS*.Hα-helixtrans-81.4-10.6174.6-69.9179.8-179.6-176.20113.3I594 R595 D596I594-K598 WeakPolarHBondContact O-CG 3.39Å; I594-K598 PolarHBondContact O-N 3.38Å; R595-K598 PolarHBondContact O-N 2.87Å; R595-K598 VanDerWaalsContact O-N 3.14Å; D596-K598 VanDerWaalsContact C-N 3.28Å; D596-K598 PolarHBondContact O-N 2.81Å
599T62.4Low60.4Low16 Ų1693.4 Ų93.410%0.09847%0.47CS..SBendtrans-81131.1-177.2-54.50000109.9F48 R595 D596 A597 M603 K604F48-T599 HydrophobicContact CD1-CG2 4.35Å; F48-T599 HydrophobicContact CE1-CG2 4.28Å; R595-T599 PolarHBondContact O-N 3.06Å; R595-T599 PolarHBondContact O-OG1 3.07Å; D596-T599 WeakPolarHBondContact O-CB 3.49Å; D596-T599 PolarHBondContact O-N 3.05Å; D596-T599 VanDerWaalsContact O-N 3.1Å; A597-T599 VanDerWaalsContact C-N 3.32Å; T599-M603 HydrophobicContact CG2-CB 3.89Å; T599-K604 WeakPolarHBondContact O-CE 3.43Å
600P60.8Low58.9Low68 Ų6897 Ų9744%0.44249%0.493SS..  trans-54.8143.9178.5-2432.4000112.6L52 K602 M603 K604L52-P600 HydrophobicContact CD1-CG 4.34Å; P600-K602 PolarHBondContact O-N 3.2Å; P600-K602 VanDerWaalsContact O-N 3.15Å; P600-M603 HydrophobicContact CG-SD 4.38Å; P600-M603 PolarHBondContact O-N 3.28Å; P600-K604 PolarHBondContact O-N 2.98Å
601E56.7Low57.7Low159 Ų15991.7 Ų91.774%0.74347%0.468SS*.G310 helixtrans-55.6-36-177.6-76.3-165.5148.100114.1M603 K604E601-M603 PolarHBondContact O-N 3.48Å; E601-M603 VanDerWaalsContact O-N 3.07Å; E601-K604 HydrophobicContact CG-CD 4.29Å; E601-K604 PolarHBondContact O-N 3.07Å; E601-K604 VanDerWaalsContact O-N 3.15Å
602K52.6Low56.7Low187 Ų18785.4 Ų85.481%0.81345%0.449SS*.G310 helixtrans-62.3-14.2176.7-63.1-172.6178.4-172.10113.8P600P600-K602 PolarHBondContact O-N 3.2Å; P600-K602 VanDerWaalsContact O-N 3.15Å
603M51.1Low56.3Low18 Ų1887 Ų879%0.08947%0.47CS..G310 helixtrans-116.92.1-178.5-58.1-178.985.200112.7E51 L52 T599 P600 E601 Q605E51-M603 HydrophobicContact CB-CE 3.71Å; E51-M603 HydrophobicContact CG-CE 3.76Å; L52-M603 HydrophobicContact CB-CE 4.19Å; L52-M603 HydrophobicContact CB-SD 4.14Å; L52-M603 HydrophobicContact CD1-SD 3.87Å; T599-M603 HydrophobicContact CG2-CB 3.89Å; P600-M603 HydrophobicContact CG-SD 4.38Å; P600-M603 PolarHBondContact O-N 3.28Å; E601-M603 PolarHBondContact O-N 3.48Å; E601-M603 VanDerWaalsContact O-N 3.07Å; M603-Q605 PolarHBondContact O-N 2.94Å
604K53.8Low56.4Low107 Ų10786.8 Ų86.847%0.46546%0.461SS..  trans-71.7126.5175.7-72.7-178.4-176.2173.60109.2T599 P600 E601T599-K604 WeakPolarHBondContact O-CE 3.43Å; P600-K604 PolarHBondContact O-N 2.98Å; E601-K604 HydrophobicContact CG-CD 4.29Å; E601-K604 PolarHBondContact O-N 3.07Å; E601-K604 VanDerWaalsContact O-N 3.15Å
605Q46.9Very low56.8Low91 Ų9185.2 Ų85.243%0.42546%0.456SS..  trans-61.7142.2172.2-68.9-178.1-10.200110.2V455 M603 K607V455-Q605 HydrophobicContact CG1-CG 4.39Å; M603-Q605 PolarHBondContact O-N 2.94Å; Q605-K607 HydrophobicContact CB-CG 4.08Å; Q605-K607 PolarHBondContact O-N 3.5Å
606V39.1Very low57.6Low127 Ų12780.3 Ų80.377%0.7744%0.437SS*.  trans-69.289.9162.8-178.70000106.5
607K48Very low58.3Low43 Ų4381.1 Ų81.119%0.18744%0.439CS..  trans-87.1140.4172.6-66-176.5169.4-174.10108.2D596 Q605 V609 D612D596-K607 IonicContact OD2-NZ 3.04Å; D596-K607 PolarHBondContact OD2-NZ 3.21Å; Q605-K607 HydrophobicContact CB-CG 4.08Å; Q605-K607 PolarHBondContact O-N 3.5Å; K607-V609 PolarHBondContact O-N 2.95Å; K607-D612 IonicContact NZ-OD2 2.7Å; K607-D612 PolarHBondContact NZ-OD2 3.09Å
608P39.9Very low59Low53 Ų5378.3 Ų78.334%0.34442%0.418SS..  trans-58.1110.5154.4-922.7000106.3V610P608-V610 PolarHBondContact O-N 3.23Å
609V39.6Very low59.8Low137 Ų13770.1 Ų70.183%0.8338%0.382SS*.THydrogen-bonded Turntrans-58.5-13.8-173.2174.60000112.6K607K607-V609 PolarHBondContact O-N 2.95Å
610V46.8Very low60.9Low100 Ų10069.3 Ų69.361%0.60638%0.377SS*.THydrogen-bonded Turntrans-86.9-27.5-168.5-169.30000113.6P608 S613P608-V610 PolarHBondContact O-N 3.23Å; V610-S613 PolarHBondContact O-OG 2.81Å
611D52.7Low62Low13 Ų1370 Ų707%0.0738%0.377CS..G310 helixtrans-88-20.2-164.3-85.4-26.6000117L556 S613 L614 K619 K622L556-D611 HydrophobicContact CD2-CB 4.36Å; D611-S613 PolarHBondContact O-N 3.18Å; D611-L614 WeakPolarHBondContact OD1-CD1 3.19Å; D611-K619 WeakPolarHBondContact O-CE 3.47Å; D611-K622 WeakPolarHBondContact OD1-CD 3.36Å; D611-K622 WeakPolarHBondContact OD1-CE 3.45Å; D611-K622 IonicContact OD1-NZ 2.6Å; D611-K622 PolarHBondContact OD1-NZ 2.88Å; D611-K622 IonicContact OD2-NZ 2.67Å; D611-K622 PolarHBondContact OD2-NZ 3.43Å
612D54.6Low63.3Low53 Ų5365.8 Ų65.828%0.28336%0.356SS..G310 helixtrans-78.3-5.6178.7-75.2-15.9000112.2R555 K607R555-D612 IonicContact NH2-OD1 2.7Å; R555-D612 PolarHBondContact NH2-OD1 3.37Å; R555-D612 IonicContact NH2-OD2 2.69Å; R555-D612 PolarHBondContact NH2-OD2 3.07Å; K607-D612 IonicContact NZ-OD2 2.7Å; K607-D612 PolarHBondContact NZ-OD2 3.09Å
613S61.9Low64.9Low98 Ų9856.9 Ų56.969%0.68532%0.318SS*.G310 helixtrans-93-10.8178.772.10000114.9V610 D611V610-S613 PolarHBondContact O-OG 2.81Å; D611-S613 PolarHBondContact O-N 3.18Å
614L74.4Confident66.5Low52 Ų5259.2 Ų59.227%0.27233%0.327SS..SBendtrans-77.4143.6-176.9-67.4168.6000111.7Y585 D611 K619 K622Y585-L614 WeakPolarHBondContact CE1-O 3.3Å; Y585-L614 PolarHBondContact OH-O 3.34Å; D611-L614 WeakPolarHBondContact OD1-CD1 3.19Å; L614-K619 HydrophobicContact CB-CG 3.85Å; L614-K619 HydrophobicContact CD1-CG 4.45Å; L614-K622 HydrophobicContact CD1-CD 3.88Å
615T81.9Confident68Low68 Ų6857.3 Ų57.342%0.41733%0.328SS..  trans-63.6161.6167.156.90000110.7E582 Q617 G618 K619E582-T615 VanDerWaalsContact OE1-CA 3.24Å; E582-T615 WeakPolarHBondContact OE1-CA 3.4Å; E582-T615 VanDerWaalsContact OE1-CB 3.23Å; E582-T615 WeakPolarHBondContact OE1-CB 2.92Å; T615-Q617 PolarHBondContact O-N 3.47Å; T615-G618 PolarHBondContact O-N 2.95Å; T615-G618 VanDerWaalsContact O-N 3.07Å; T615-G618 PolarHBondContact OG1-N 3.39Å; T615-G618 VanDerWaalsContact OG1-N 3.09Å; T615-K619 PolarHBondContact O-N 2.86Å
616L82.3Confident69.8Low0 Ų053.8 Ų53.80%031%0.312CS..Hα-helixtrans-55.9-42.1176.7-167.466.4000110.1V560 F563 A577 Q581 E582 Y585 K619 K620V560-L616 HydrophobicContact CB-CD1 4.44Å; V560-L616 HydrophobicContact CG2-CD1 4.13Å; F563-L616 HydrophobicContact CB-CD2 4.27Å; A577-L616 HydrophobicContact CB-CD2 3.9Å; A577-L616 HydrophobicContact CB-CG 4.47Å; Q581-L616 HydrophobicContact CB-CD2 4.41Å; E582-L616 PolarHBondContact OE1-N 3.21Å; E582-L616 WeakPolarHBondContact OE2-CB 3.44Å; E582-L616 PolarHBondContact OE2-N 3.12Å; Y585-L616 HydrophobicContact CD1-CB 4.22Å; Y585-L616 HydrophobicContact CD2-CD1 4.16Å; Y585-L616 HydrophobicContact CG-CB 4.46Å; Y585-L616 HydrophobicContact CG-CD1 4.2Å; L616-K619 PolarHBondContact O-N 3.42Å; L616-K620 VanDerWaalsContact O-CG 3.29Å; L616-K620 WeakPolarHBondContact O-CG 3.39Å; L616-K620 PolarHBondContact O-N 2.92Å
617Q82.8Confident72Confident64 Ų6447.8 Ų47.830%0.29928%0.275SS..Hα-helixtrans-64.4-44.3174.6-16959.540.400112.7T615 K619 K620 D621T615-Q617 PolarHBondContact O-N 3.47Å; Q617-K619 VanDerWaalsContact C-N 3.28Å; Q617-K619 PolarHBondContact O-N 3.19Å; Q617-K620 WeakPolarHBondContact O-CB 3.45Å; Q617-K620 PolarHBondContact O-N 2.96Å; Q617-D621 PolarHBondContact NE2-OD1 3.31Å; Q617-D621 PolarHBondContact O-N 3.35Å
618G83.4Confident73.7Confident18 Ų1851.7 Ų51.719%0.18629%0.294CS..Hα-helixtrans-61.6-35.1176.800000113.2T615 K620 K622T615-G618 PolarHBondContact O-N 2.95Å; T615-G618 VanDerWaalsContact O-N 3.07Å; T615-G618 PolarHBondContact OG1-N 3.39Å; T615-G618 VanDerWaalsContact OG1-N 3.09Å; G618-K620 VanDerWaalsContact C-N 3.35Å; G618-K622 WeakPolarHBondContact O-CB 3.5Å; G618-K622 PolarHBondContact O-N 3.21Å; G618-K622 VanDerWaalsContact O-N 3.12Å
619K83.6Confident75.7Confident0 Ų056 Ų560%030%0.304CS..Hα-helixtrans-64.7-38.3172.2-73-166.4164.8171.90112L556 D559 V560 Y585 D611 L614 T615 L616 Q617 K622 I623L556-K619 HydrophobicContact CD2-CB 4.23Å; L556-K619 HydrophobicContact CD2-CD 3.79Å; L556-K619 HydrophobicContact CD2-CG 3.8Å; D559-K619 HydrophobicContact CB-CD 4.25Å; D559-K619 IonicContact OD2-NZ 3.25Å; D559-K619 PolarHBondContact OD2-NZ 2.91Å; V560-K619 HydrophobicContact CG2-CB 3.94Å; Y585-K619 HydrophobicContact CE2-CD 4.38Å; Y585-K619 WeakPolarHBondContact OH-CD 3.2Å; Y585-K619 WeakPolarHBondContact OH-CE 3.42Å; Y585-K619 PolarHBondContact OH-NZ 2.94Å; D611-K619 WeakPolarHBondContact O-CE 3.47Å; L614-K619 HydrophobicContact CB-CG 3.85Å; L614-K619 HydrophobicContact CD1-CG 4.45Å; T615-K619 PolarHBondContact O-N 2.86Å; L616-K619 PolarHBondContact O-N 3.42Å; Q617-K619 VanDerWaalsContact C-N 3.28Å; Q617-K619 PolarHBondContact O-N 3.19Å; K619-K622 PolarHBondContact O-N 3.24Å; K619-I623 WeakPolarHBondContact O-CD1 3.48Å; K619-I623 WeakPolarHBondContact O-CG1 3.45Å; K619-I623 PolarHBondContact O-N 2.8Å
620K85.4Confident77.7Confident0 Ų049.5 Ų49.50%026%0.264CS..Hα-helixtrans-67.3-43.4178.4-66.2169.269.2168.90112.6V560 Q564 I572 L573 S575 L616 Q617 G618 K622 I623 K624V560-K620 HydrophobicContact CG1-CD 4.22Å; V560-K620 HydrophobicContact CG1-CG 3.83Å; V560-K620 HydrophobicContact CG2-CG 3.91Å; Q564-K620 VanDerWaalsContact CD-NZ 3.25Å; I572-K620 WeakPolarHBondContact O-CE 3.42Å; I572-K620 PolarHBondContact O-NZ 3.44Å; L573-K620 HydrophobicContact CD2-CB 4.05Å; L573-K620 HydrophobicContact CD2-CG 4.15Å; L573-K620 WeakPolarHBondContact O-CE 3.48Å; S575-K620 PolarHBondContact O-NZ 3.45Å; L616-K620 VanDerWaalsContact O-CG 3.29Å; L616-K620 WeakPolarHBondContact O-CG 3.39Å; L616-K620 PolarHBondContact O-N 2.92Å; Q617-K620 WeakPolarHBondContact O-CB 3.45Å; Q617-K620 PolarHBondContact O-N 2.96Å; G618-K620 VanDerWaalsContact C-N 3.35Å; K620-K622 VanDerWaalsContact C-N 3.27Å; K620-K622 PolarHBondContact O-N 2.85Å; K620-I623 PolarHBondContact O-N 2.82Å; K620-K624 WeakPolarHBondContact O-CG 3.5Å; K620-K624 PolarHBondContact O-N 2.8Å
621D84.4Confident79.4Confident81 Ų8146.1 Ų46.143%0.43325%0.247SC..Hα-helixtrans-63.7-39.3177.8-59.8-25.9000110.4Q617 K624 S625Q617-D621 PolarHBondContact NE2-OD1 3.31Å; Q617-D621 PolarHBondContact O-N 3.35Å; D621-K624 PolarHBondContact O-N 2.84Å; D621-S625 PolarHBondContact O-N 3.46Å
622K84Confident80.8Confident71 Ų7153.2 Ų53.231%0.30928%0.28SS..Hα-helixtrans-66.2-40.2173.7-165.1167.5-173.5178.80113L556 D611 L614 G618 K619 K620 K624 S625 N626L556-K622 HydrophobicContact CD1-CB 4.3Å; L556-K622 HydrophobicContact CD1-CD 4.11Å; L556-K622 HydrophobicContact CD1-CG 4.03Å; D611-K622 WeakPolarHBondContact OD1-CD 3.36Å; D611-K622 WeakPolarHBondContact OD1-CE 3.45Å; D611-K622 IonicContact OD1-NZ 2.6Å; D611-K622 PolarHBondContact OD1-NZ 2.88Å; D611-K622 IonicContact OD2-NZ 2.67Å; D611-K622 PolarHBondContact OD2-NZ 3.43Å; L614-K622 HydrophobicContact CD1-CD 3.88Å; G618-K622 WeakPolarHBondContact O-CB 3.5Å; G618-K622 PolarHBondContact O-N 3.21Å; G618-K622 VanDerWaalsContact O-N 3.12Å; K619-K622 PolarHBondContact O-N 3.24Å; K620-K622 VanDerWaalsContact C-N 3.27Å; K620-K622 PolarHBondContact O-N 2.85Å; K622-K624 VanDerWaalsContact C-N 3.34Å; K622-S625 PolarHBondContact O-N 3.28Å; K622-N626 WeakPolarHBondContact O-CB 3.32Å; K622-N626 VanDerWaalsContact O-CG 3.23Å; K622-N626 PolarHBondContact O-N 3.28Å; K622-N626 PolarHBondContact O-OD1 2.87Å
623I85.4Confident82Confident0 Ų054 Ų540%028%0.284CS..Hα-helixtrans-59.8-46.1172.7-68.7160.2000110.1T553 L556 I557 V560 L573 K619 K620 S625 N626 L627T553-I623 HydrophobicContact CG2-CG2 4.17Å; L556-I623 HydrophobicContact CB-CD1 3.78Å; L556-I623 HydrophobicContact CB-CG1 3.48Å; L556-I623 VanDerWaalsContact CB-CG1 3.48Å; L556-I623 HydrophobicContact CD1-CG1 4.24Å; I557-I623 HydrophobicContact CD1-CG2 4.41Å; I557-I623 HydrophobicContact CG1-CD1 4.02Å; I557-I623 HydrophobicContact CG1-CG1 4.25Å; I557-I623 HydrophobicContact CG1-CG2 3.94Å; V560-I623 HydrophobicContact CB-CD1 4.28Å; V560-I623 HydrophobicContact CG2-CD1 3.7Å; L573-I623 HydrophobicContact CD1-CG2 3.82Å; L573-I623 HydrophobicContact CD2-CB 3.93Å; L573-I623 HydrophobicContact CD2-CD1 4.08Å; L573-I623 HydrophobicContact CD2-CG2 3.75Å; L573-I623 HydrophobicContact CG-CG2 4.43Å; K619-I623 WeakPolarHBondContact O-CD1 3.48Å; K619-I623 WeakPolarHBondContact O-CG1 3.45Å; K619-I623 PolarHBondContact O-N 2.8Å; K620-I623 PolarHBondContact O-N 2.82Å; I623-S625 PolarHBondContact O-N 2.68Å; I623-N626 PolarHBondContact O-N 3.46Å; I623-L627 HydrophobicContact CG2-CD1 3.63Å; I623-L627 HydrophobicContact CG2-CG 3.98Å; I623-L627 WeakPolarHBondContact O-CB 2.93Å; I623-L627 VanDerWaalsContact O-CG 3.24Å; I623-L627 WeakPolarHBondContact O-CG 3.32Å; I623-L627 PolarHBondContact O-N 2.87Å
624K86.6Confident82.7Confident67 Ų6751.8 Ų51.829%0.29128%0.275SS..Hα-helixtrans-58.5-46.5178.3-71.5-177.1-174.6-173.10111.8L573 D574 K620 D621 K622 L627 Q628L573-K624 HydrophobicContact CB-CG 4.44Å; L573-K624 HydrophobicContact CD1-CG 4.38Å; L573-K624 WeakPolarHBondContact O-CE 3.36Å; L573-K624 PolarHBondContact O-NZ 3.45Å; D574-K624 WeakPolarHBondContact OD1-CE 3.37Å; D574-K624 IonicContact OD1-NZ 2.6Å; D574-K624 PolarHBondContact OD1-NZ 2.93Å; K620-K624 WeakPolarHBondContact O-CG 3.5Å; K620-K624 PolarHBondContact O-N 2.8Å; D621-K624 PolarHBondContact O-N 2.84Å; K622-K624 VanDerWaalsContact C-N 3.34Å; K624-L627 PolarHBondContact O-N 2.82Å; K624-Q628 WeakPolarHBondContact O-CG 2.96Å; K624-Q628 PolarHBondContact O-N 2.87Å; K624-Q628 VanDerWaalsContact O-N 3.09Å
625S84.9Confident82.7Confident68 Ų6853.6 Ų53.648%0.47628%0.281SS..Hα-helixtrans-62.3-43.7176.8-179.60000112.4D621 K622 I623 Q628 R629D621-S625 PolarHBondContact O-N 3.46Å; K622-S625 PolarHBondContact O-N 3.28Å; I623-S625 PolarHBondContact O-N 2.68Å; S625-Q628 PolarHBondContact O-N 3.3Å; S625-R629 PolarHBondContact O-N 3.49Å
626N84.3Confident82.6Confident16 Ų1650.7 Ų50.79%0.08626%0.264CS..Hα-helixtrans-67.3-39.1177.9-67.8-5000112.4L549 T553 K622 I623 Q628 R629 L630L549-N626 HydrophobicContact CD1-CB 4.01Å; L549-N626 VanDerWaalsContact CD1-CG 3.5Å; L549-N626 WeakPolarHBondContact CD1-OD1 3.44Å; L549-N626 HydrophobicContact CG-CB 4.31Å; T553-N626 HydrophobicContact CG2-CB 4.08Å; T553-N626 WeakPolarHBondContact OG1-CB 3.24Å; T553-N626 PolarHBondContact OG1-ND2 2.74Å; K622-N626 WeakPolarHBondContact O-CB 3.32Å; K622-N626 VanDerWaalsContact O-CG 3.23Å; K622-N626 PolarHBondContact O-N 3.28Å; K622-N626 PolarHBondContact O-OD1 2.87Å; I623-N626 PolarHBondContact O-N 3.46Å; N626-Q628 VanDerWaalsContact C-N 3.33Å; N626-Q628 PolarHBondContact O-N 2.89Å; N626-R629 PolarHBondContact O-N 3.07Å; N626-L630 WeakPolarHBondContact O-CB 3.22Å; N626-L630 WeakPolarHBondContact O-CD1 3.3Å; N626-L630 WeakPolarHBondContact O-CG 3.44Å; N626-L630 PolarHBondContact O-N 2.84Å
627L85.4Confident82.4Confident2 Ų255.7 Ų55.71%0.0129%0.286CS..Hα-helixtrans-63.8-38.5177.8-73.6175.4000111.7T553 L569 L573 I623 K624 L630 A631 Y642 L645T553-L627 HydrophobicContact CG2-CD2 4.08Å; T553-L627 HydrophobicContact CG2-CG 4.25Å; L569-L627 HydrophobicContact CD2-CD1 4.44Å; L573-L627 HydrophobicContact CD1-CD1 3.74Å; I623-L627 HydrophobicContact CG2-CD1 3.63Å; I623-L627 HydrophobicContact CG2-CG 3.98Å; I623-L627 WeakPolarHBondContact O-CB 2.93Å; I623-L627 VanDerWaalsContact O-CG 3.24Å; I623-L627 WeakPolarHBondContact O-CG 3.32Å; I623-L627 PolarHBondContact O-N 2.87Å; K624-L627 PolarHBondContact O-N 2.82Å; L627-L630 PolarHBondContact O-N 3.38Å; L627-A631 VanDerWaalsContact O-CB 3.3Å; L627-A631 WeakPolarHBondContact O-CB 2.97Å; L627-A631 PolarHBondContact O-N 3.05Å; L627-Y642 HydrophobicContact CB-CE1 4.19Å; L627-Y642 HydrophobicContact CD1-CD1 4.47Å; L627-Y642 HydrophobicContact CD1-CD2 4.11Å; L627-Y642 HydrophobicContact CD1-CE1 4.39Å; L627-Y642 HydrophobicContact CD1-CE2 4.03Å; L627-Y642 HydrophobicContact CD1-CG 4.33Å; L627-Y642 HydrophobicContact CD2-CD1 3.91Å; L627-Y642 HydrophobicContact CD2-CE1 4.07Å; L627-Y642 HydrophobicContact CD2-CG 4.34Å; L627-Y642 HydrophobicContact CG-CE1 4.45Å; L627-L645 HydrophobicContact CD2-CD1 3.42Å; L627-L645 VanDerWaalsContact CD2-CD1 3.42Å
628Q83.7Confident82.1Confident124 Ų12455.8 Ų55.858%0.57929%0.293SS*.Hα-helixtrans-59.8-50.9172.9-74.8173.4-17.300111.1K624 S625 N626 L630 A631 E632K624-Q628 WeakPolarHBondContact O-CG 2.96Å; K624-Q628 PolarHBondContact O-N 2.87Å; K624-Q628 VanDerWaalsContact O-N 3.09Å; S625-Q628 PolarHBondContact O-N 3.3Å; N626-Q628 VanDerWaalsContact C-N 3.33Å; N626-Q628 PolarHBondContact O-N 2.89Å; Q628-L630 VanDerWaalsContact C-N 3.34Å; Q628-L630 PolarHBondContact O-N 3.39Å; Q628-A631 WeakPolarHBondContact O-CB 3.39Å; Q628-A631 PolarHBondContact O-N 3.16Å; Q628-A631 VanDerWaalsContact O-N 3.17Å; Q628-E632 WeakPolarHBondContact O-CG 3.07Å; Q628-E632 PolarHBondContact O-N 2.89Å
629R81.7Confident81.7Confident145 Ų14564 Ų6455%0.54733%0.327SS..Hα-helixtrans-64.4-36.2179.2-171.8169.2180177.5-0.9113L549 S625 N626 L633L549-R629 HydrophobicContact CD2-CB 3.98Å; L549-R629 HydrophobicContact CD2-CG 3.8Å; S625-R629 PolarHBondContact O-N 3.49Å; N626-R629 PolarHBondContact O-N 3.07Å; R629-L633 HydrophobicContact CG-CD1 4.3Å; R629-L633 WeakPolarHBondContact O-CD1 3.07Å; R629-L633 VanDerWaalsContact O-CG 3.25Å; R629-L633 WeakPolarHBondContact O-CG 3.44Å; R629-L633 PolarHBondContact O-N 3.3Å
630L81.6Confident81.4Confident0 Ų066.5 Ų66.50%034%0.34CS..Hα-helixtrans-71.3-31.4175.8-71.3165.6000112.4A546 L549 L550 T553 N626 L627 Q628 L633 G634 K635 V636A546-L630 WeakPolarHBondContact O-CD2 3.41Å; L549-L630 HydrophobicContact CB-CD2 4.16Å; L549-L630 HydrophobicContact CD2-CD2 3.97Å; L549-L630 HydrophobicContact CD2-CG 3.87Å; L549-L630 HydrophobicContact CG-CD1 4.37Å; L549-L630 HydrophobicContact CG-CD2 4.1Å; L549-L630 HydrophobicContact CG-CG 4.05Å; L550-L630 HydrophobicContact CB-CD1 4.41Å; L550-L630 HydrophobicContact CB-CD2 4Å; L550-L630 HydrophobicContact CD1-CD1 3.92Å; L550-L630 HydrophobicContact CD1-CD2 4.3Å; T553-L630 HydrophobicContact CG2-CD1 4.34Å; N626-L630 WeakPolarHBondContact O-CB 3.22Å; N626-L630 WeakPolarHBondContact O-CD1 3.3Å; N626-L630 WeakPolarHBondContact O-CG 3.44Å; N626-L630 PolarHBondContact O-N 2.84Å; L627-L630 PolarHBondContact O-N 3.38Å; Q628-L630 VanDerWaalsContact C-N 3.34Å; Q628-L630 PolarHBondContact O-N 3.39Å; L630-L633 PolarHBondContact O-N 2.91Å; L630-G634 PolarHBondContact O-N 3.03Å; L630-K635 HydrophobicContact CD2-CB 4.37Å; L630-K635 PolarHBondContact O-N 2.93Å; L630-V636 HydrophobicContact CB-CG2 3.47Å; L630-V636 VanDerWaalsContact CB-CG2 3.47Å
631A83.1Confident81Confident29 Ų2973.9 Ų73.924%0.2437%0.368CS..Hα-helixtrans-70.1-41.4174.200000111.2L627 Q628 L633 G634 V636 P638L627-A631 VanDerWaalsContact O-CB 3.3Å; L627-A631 WeakPolarHBondContact O-CB 2.97Å; L627-A631 PolarHBondContact O-N 3.05Å; Q628-A631 WeakPolarHBondContact O-CB 3.39Å; Q628-A631 PolarHBondContact O-N 3.16Å; Q628-A631 VanDerWaalsContact O-N 3.17Å; A631-L633 PolarHBondContact O-N 3.47Å; A631-G634 PolarHBondContact O-N 2.83Å; A631-V636 HydrophobicContact CB-CG2 4.19Å; A631-P638 HydrophobicContact CB-CG 3.82Å
632E82.2Confident80.9Confident162 Ų16271.7 Ų71.776%0.75735%0.353SS*.Hα-helixtrans-59.4-34172.4-71.1169.4-174.900112.3Q628 G634Q628-E632 WeakPolarHBondContact O-CG 3.07Å; Q628-E632 PolarHBondContact O-N 2.89Å; E632-G634 VanDerWaalsContact C-N 3.27Å; E632-G634 PolarHBondContact O-N 3.34Å
633L79.2Confident80.8Confident70 Ų7070.6 Ų70.637%0.36635%0.35SS..THydrogen-bonded Turntrans-83.52.7176.1-66.5166.3000113.6A546 R629 L630 A631 K635A546-L633 HydrophobicContact CB-CD1 3.8Å; R629-L633 HydrophobicContact CG-CD1 4.3Å; R629-L633 WeakPolarHBondContact O-CD1 3.07Å; R629-L633 VanDerWaalsContact O-CG 3.25Å; R629-L633 WeakPolarHBondContact O-CG 3.44Å; R629-L633 PolarHBondContact O-N 3.3Å; L630-L633 PolarHBondContact O-N 2.91Å; A631-L633 PolarHBondContact O-N 3.47Å; L633-K635 HydrophobicContact CB-CG 4.34Å; L633-K635 PolarHBondContact O-N 3.44Å
634G76.9Confident80.6Confident50 Ų5073.8 Ų73.852%0.51537%0.366SS..THydrogen-bonded Turntrans66.518.7179.300000114.9L630 A631 E632L630-G634 PolarHBondContact O-N 3.03Å; A631-G634 PolarHBondContact O-N 2.83Å; E632-G634 VanDerWaalsContact C-N 3.27Å; E632-G634 PolarHBondContact O-N 3.34Å
635K74.5Confident80.3Confident90 Ų9070.8 Ų70.839%0.39135%0.354SS..SBendtrans-92.4-14.9-177.8-63.4-60.4-173.2-177.70113.7E543 A546 L630 L633E543-K635 IonicContact OE1-NZ 2.63Å; E543-K635 PolarHBondContact OE1-NZ 3.09Å; A546-K635 HydrophobicContact CB-CG 4.25Å; L630-K635 HydrophobicContact CD2-CB 4.37Å; L630-K635 PolarHBondContact O-N 2.93Å; L633-K635 HydrophobicContact CB-CG 4.34Å; L633-K635 PolarHBondContact O-N 3.44Å
636V78.8Confident80.3Confident8 Ų867.6 Ų67.65%0.04833%0.331CS..SBendtrans-140.7147175.3-74.70000110.3L550 L630 A631 P638 Y642 L645L550-V636 HydrophobicContact CD1-CG1 4.07Å; L630-V636 HydrophobicContact CB-CG2 3.47Å; L630-V636 VanDerWaalsContact CB-CG2 3.47Å; A631-V636 HydrophobicContact CB-CG2 4.19Å; V636-P638 WeakPolarHBondContact O-CD 3.46Å; V636-Y642 HydrophobicContact CB-CD1 4.22Å; V636-Y642 HydrophobicContact CB-CE1 4.48Å; V636-Y642 HydrophobicContact CG2-CD1 4.43Å; V636-Y642 HydrophobicContact CG2-CE1 4.27Å; V636-L645 HydrophobicContact CG1-CD1 3.84Å; V636-L645 HydrophobicContact CG1-CD2 4.26Å; V636-L645 HydrophobicContact CG1-CG 3.91Å
637H77.6Confident80.2Confident104 Ų10467.5 Ų67.548%0.48133%0.331SS..  trans-106.7112.2-178.2-62.6-66.8000110.6E639 N640 D644H637-E639 PolarHBondContact O-N 3.4Å; H637-N640 PolarHBondContact O-N 3.4Å; H637-N640 PolarHBondContact O-OD1 3.41Å; H637-D644 IonicContact CD2-OD2 2.72Å
638P78.1Confident79.8Confident67 Ų6769.3 Ų69.344%0.43534%0.34SS..G310 helixtrans-61.7-27.1176.2-2434.7000113.3A631 V636 N640 R641 Y642A631-P638 HydrophobicContact CB-CG 3.82Å; V636-P638 WeakPolarHBondContact O-CD 3.46Å; P638-N640 VanDerWaalsContact C-N 3.27Å; P638-N640 PolarHBondContact O-N 3.21Å; P638-R641 PolarHBondContact O-N 3.19Å; P638-R641 VanDerWaalsContact O-N 3.09Å; P638-Y642 HydrophobicContact CB-CE1 4.34Å; P638-Y642 HydrophobicContact CG-CE1 4.27Å
639E74.6Confident79.6Confident191 Ų19163.4 Ų63.489%0.89331%0.313SS*.G310 helixtrans-62.4-29.7-176.2-61.9-179.2-179.800113.5H637 R641H637-E639 PolarHBondContact O-N 3.4Å; E639-R641 VanDerWaalsContact C-N 3.34Å
640N77.6Confident79.5Confident52 Ų5256.5 Ų56.528%0.27829%0.287SS..G310 helixtrans-9515.9177.873.512.8000113.7H637 P638 Y642 Q643 D644H637-N640 PolarHBondContact O-N 3.4Å; H637-N640 PolarHBondContact O-OD1 3.41Å; P638-N640 VanDerWaalsContact C-N 3.27Å; P638-N640 PolarHBondContact O-N 3.21Å; N640-Y642 PolarHBondContact O-N 3.1Å; N640-Y642 VanDerWaalsContact OD1-CA 3.22Å; N640-Y642 WeakPolarHBondContact OD1-CA 3.4Å; N640-Y642 PolarHBondContact OD1-N 3.18Å; N640-Q643 WeakPolarHBondContact O-CB 3.25Å; N640-Q643 PolarHBondContact O-N 3.3Å; N640-Q643 PolarHBondContact OD1-N 2.99Å; N640-D644 PolarHBondContact ND2-OD1 3.4Å; N640-D644 PolarHBondContact ND2-OD2 2.81Å
641R77.3Confident79.4Confident155 Ų15561.6 Ų61.659%0.58531%0.309SS*.THydrogen-bonded Turntrans54.631.3-175.5-53.4-179-178.4-179.8-0.3112.9T570 P638 E639 Q643T570-R641 HydrophobicContact CG2-CB 4.26Å; P638-R641 PolarHBondContact O-N 3.19Å; P638-R641 VanDerWaalsContact O-N 3.09Å; E639-R641 VanDerWaalsContact C-N 3.34Å; R641-Q643 VanDerWaalsContact C-N 3.29Å; R641-Q643 PolarHBondContact O-N 3.32Å
642Y81.6Confident79Confident34 Ų3463.1 Ų63.113%0.13331%0.313CS..THydrogen-bonded Turntrans62.728-179.8-48.7-74000114.6T570 L627 V636 P638 N640 D644 L645T570-Y642 HydrophobicContact CG2-CD2 3.93Å; T570-Y642 HydrophobicContact CG2-CE2 4.01Å; L627-Y642 HydrophobicContact CB-CE1 4.19Å; L627-Y642 HydrophobicContact CD1-CD1 4.47Å; L627-Y642 HydrophobicContact CD1-CD2 4.11Å; L627-Y642 HydrophobicContact CD1-CE1 4.39Å; L627-Y642 HydrophobicContact CD1-CE2 4.03Å; L627-Y642 HydrophobicContact CD1-CG 4.33Å; L627-Y642 HydrophobicContact CD2-CD1 3.91Å; L627-Y642 HydrophobicContact CD2-CE1 4.07Å; L627-Y642 HydrophobicContact CD2-CG 4.34Å; L627-Y642 HydrophobicContact CG-CE1 4.45Å; V636-Y642 HydrophobicContact CB-CD1 4.22Å; V636-Y642 HydrophobicContact CB-CE1 4.48Å; V636-Y642 HydrophobicContact CG2-CD1 4.43Å; V636-Y642 HydrophobicContact CG2-CE1 4.27Å; P638-Y642 HydrophobicContact CB-CE1 4.34Å; P638-Y642 HydrophobicContact CG-CE1 4.27Å; N640-Y642 PolarHBondContact O-N 3.1Å; N640-Y642 VanDerWaalsContact OD1-CA 3.22Å; N640-Y642 WeakPolarHBondContact OD1-CA 3.4Å; N640-Y642 PolarHBondContact OD1-N 3.18Å; Y642-D644 PolarHBondContact O-N 3.27Å; Y642-L645 WeakPolarHBondContact O-CB 3.43Å; Y642-L645 PolarHBondContact O-N 3.18Å
643Q82.3Confident78.7Confident49 Ų4955.7 Ų55.723%0.22928%0.278CS..Hα-helixtrans-59.8-31.2179.7-177.160.639.400112.6P29 N640 R641 L645 I646 N647P29-Q643 PolarHBondContact O-NE2 2.93Å; N640-Q643 WeakPolarHBondContact O-CB 3.25Å; N640-Q643 PolarHBondContact O-N 3.3Å; N640-Q643 PolarHBondContact OD1-N 2.99Å; R641-Q643 VanDerWaalsContact C-N 3.29Å; R641-Q643 PolarHBondContact O-N 3.32Å; Q643-L645 VanDerWaalsContact C-N 3.27Å; Q643-L645 PolarHBondContact O-N 2.97Å; Q643-I646 WeakPolarHBondContact O-CB 3.5Å; Q643-I646 PolarHBondContact O-N 3.28Å; Q643-N647 PolarHBondContact NE2-OD1 3.34Å; Q643-N647 VanDerWaalsContact O-CG 3.24Å; Q643-N647 PolarHBondContact O-N 3.01Å; Q643-N647 PolarHBondContact O-ND2 3.17Å; Q643-N647 PolarHBondContact O-OD1 2.96Å
644D80.5Confident78.5Confident66 Ų6655.4 Ų55.435%0.35327%0.273SS..Hα-helixtrans-58.6-38.3177.2-60.5-29.1000112.5H637 N640 Y642 I646 N647 D648H637-D644 IonicContact CD2-OD2 2.72Å; N640-D644 PolarHBondContact ND2-OD1 3.4Å; N640-D644 PolarHBondContact ND2-OD2 2.81Å; Y642-D644 PolarHBondContact O-N 3.27Å; D644-I646 VanDerWaalsContact C-N 3.3Å; D644-I646 PolarHBondContact O-N 3.4Å; D644-N647 WeakPolarHBondContact O-CB 3.36Å; D644-N647 PolarHBondContact O-N 3.48Å; D644-D648 PolarHBondContact O-N 2.88Å
645L80.9Confident78.4Confident4 Ų454.9 Ų54.92%0.02126%0.258CS..Hα-helixtrans-65.3-35.8176.2-79.6172.1000111.9L550 K554 I557 L627 V636 Y642 Q643 D648 I649L550-L645 HydrophobicContact CD1-CD2 3.64Å; K554-L645 HydrophobicContact CD-CD2 4.36Å; K554-L645 HydrophobicContact CG-CD2 3.81Å; I557-L645 HydrophobicContact CD1-CD1 3.98Å; L627-L645 HydrophobicContact CD2-CD1 3.42Å; L627-L645 VanDerWaalsContact CD2-CD1 3.42Å; V636-L645 HydrophobicContact CG1-CD1 3.84Å; V636-L645 HydrophobicContact CG1-CD2 4.26Å; V636-L645 HydrophobicContact CG1-CG 3.91Å; Y642-L645 WeakPolarHBondContact O-CB 3.43Å; Y642-L645 PolarHBondContact O-N 3.18Å; Q643-L645 VanDerWaalsContact C-N 3.27Å; Q643-L645 PolarHBondContact O-N 2.97Å; L645-D648 PolarHBondContact O-N 3.41Å; L645-I649 VanDerWaalsContact O-CG1 3.29Å; L645-I649 WeakPolarHBondContact O-CG1 3.24Å; L645-I649 PolarHBondContact O-N 3.06Å
646I83.8Confident78.3Confident1 Ų151.4 Ų51.41%0.00524%0.243CC..Hα-helixtrans-72.3-38.8177.2-57.8-50.3000110.7M31 V34 I557 L569 Q643 D644 D648 I649 A650M31-I646 HydrophobicContact CE-CD1 4.4Å; M31-I646 HydrophobicContact SD-CB 4.48Å; M31-I646 HydrophobicContact SD-CD1 3.47Å; M31-I646 WeakPolarHBondContact SD-CD1 3.47Å; M31-I646 HydrophobicContact SD-CG1 3.81Å; M31-I646 HydrophobicContact SD-CG2 3.83Å; V34-I646 HydrophobicContact CB-CG2 4.29Å; V34-I646 HydrophobicContact CG1-CG2 4.42Å; V34-I646 HydrophobicContact CG2-CG2 3.85Å; I557-I646 HydrophobicContact CG2-CD1 4.24Å; L569-I646 HydrophobicContact CB-CD1 4.44Å; L569-I646 HydrophobicContact CD2-CD1 4.48Å; Q643-I646 WeakPolarHBondContact O-CB 3.5Å; Q643-I646 PolarHBondContact O-N 3.28Å; D644-I646 VanDerWaalsContact C-N 3.3Å; D644-I646 PolarHBondContact O-N 3.4Å; I646-D648 VanDerWaalsContact C-N 3.29Å; I646-D648 PolarHBondContact O-N 3.42Å; I646-I649 HydrophobicContact CD1-CD1 4.27Å; I646-I649 PolarHBondContact O-N 3.17Å; I646-A650 WeakPolarHBondContact O-CB 3.42Å; I646-A650 PolarHBondContact O-N 2.87Å
647N81.9Confident78Confident15 Ų1556.9 Ų56.98%0.0826%0.263CS..Hα-helixtrans-60.9-41.7173.2-63.6-17.8000111N28 Q643 D644 A650 K651N28-N647 WeakPolarHBondContact CA-OD1 3.17Å; N28-N647 PolarHBondContact OD1-ND2 3.47Å; Q643-N647 PolarHBondContact NE2-OD1 3.34Å; Q643-N647 VanDerWaalsContact O-CG 3.24Å; Q643-N647 PolarHBondContact O-N 3.01Å; Q643-N647 PolarHBondContact O-ND2 3.17Å; Q643-N647 PolarHBondContact O-OD1 2.96Å; D644-N647 WeakPolarHBondContact O-CB 3.36Å; D644-N647 PolarHBondContact O-N 3.48Å; N647-A650 WeakPolarHBondContact O-CB 3.32Å; N647-A650 PolarHBondContact O-N 2.93Å; N647-K651 WeakPolarHBondContact O-CG 3.49Å; N647-K651 PolarHBondContact O-N 3.18Å
648D78.3Confident77.8Confident39 Ų3958.2 Ų58.221%0.20926%0.264CS..Hα-helixtrans-64.2-44.9175-78.8-5.6000112.3K554 D644 L645 I646 A650 K651 D652K554-D648 WeakPolarHBondContact CE-OD2 3.46Å; K554-D648 VanDerWaalsContact NZ-CB 3.26Å; K554-D648 IonicContact NZ-OD2 3.31Å; K554-D648 PolarHBondContact NZ-OD2 2.96Å; D644-D648 PolarHBondContact O-N 2.88Å; L645-D648 PolarHBondContact O-N 3.41Å; I646-D648 VanDerWaalsContact C-N 3.29Å; I646-D648 PolarHBondContact O-N 3.42Å; D648-A650 PolarHBondContact O-N 3.34Å; D648-K651 CarbonylContact O-C 3.55Å; D648-K651 WeakPolarHBondContact O-CB 3.42Å; D648-K651 PolarHBondContact O-N 3.37Å; D648-K651 VanDerWaalsContact O-N 3.11Å; D648-K651 IonicContact OD1-NZ 3.19Å; D648-D652 PolarHBondContact O-N 3.37Å
649I79.6Confident77.5Confident1 Ų158 Ų581%0.00526%0.255CS..Hα-helixtrans-60.8-37.7174.2-68.4164.7000110.7V34 L41 I557 V558 L645 I646 D652 I653V34-I649 HydrophobicContact CG1-CG2 3.94Å; L41-I649 HydrophobicContact CD1-CG2 4.31Å; I557-I649 HydrophobicContact CB-CD1 4.19Å; I557-I649 HydrophobicContact CG2-CD1 3.62Å; V558-I649 HydrophobicContact CG2-CD1 4.1Å; V558-I649 HydrophobicContact CG2-CG1 4.21Å; V558-I649 HydrophobicContact CG2-CG2 3.94Å; L645-I649 VanDerWaalsContact O-CG1 3.29Å; L645-I649 WeakPolarHBondContact O-CG1 3.24Å; L645-I649 PolarHBondContact O-N 3.06Å; I646-I649 HydrophobicContact CD1-CD1 4.27Å; I646-I649 PolarHBondContact O-N 3.17Å; I649-D652 WeakPolarHBondContact O-CB 3.38Å; I649-D652 PolarHBondContact O-N 3.14Å; I649-I653 HydrophobicContact CG2-CD1 4.3Å; I649-I653 WeakPolarHBondContact O-CG1 3.26Å; I649-I653 PolarHBondContact O-N 3.39Å
650A80.1Confident77.5Confident0 Ų051.4 Ų51.40%022%0.221CC..Hα-helixtrans-65.6-40174.800000112.2L23 P29 V34 I646 N647 D648 D652 I653 R654L23-A650 HydrophobicContact CD1-CB 3.97Å; P29-A650 HydrophobicContact CG-CB 3.38Å; V34-A650 HydrophobicContact CG2-CB 3.96Å; I646-A650 WeakPolarHBondContact O-CB 3.42Å; I646-A650 PolarHBondContact O-N 2.87Å; N647-A650 WeakPolarHBondContact O-CB 3.32Å; N647-A650 PolarHBondContact O-N 2.93Å; D648-A650 PolarHBondContact O-N 3.34Å; A650-D652 VanDerWaalsContact C-N 3.34Å; A650-I653 PolarHBondContact O-N 2.97Å; A650-R654 VanDerWaalsContact O-CG 3.31Å; A650-R654 WeakPolarHBondContact O-CG 3.16Å; A650-R654 PolarHBondContact O-N 3.1Å
651K78.1Confident77.5Confident107 Ų10753.8 Ų53.847%0.46523%0.231SC..Hα-helixtrans-60.8-43.1171-71.7172.9-173.8167.30111N647 D648 I653 R654 N655N647-K651 WeakPolarHBondContact O-CG 3.49Å; N647-K651 PolarHBondContact O-N 3.18Å; D648-K651 CarbonylContact O-C 3.55Å; D648-K651 WeakPolarHBondContact O-CB 3.42Å; D648-K651 PolarHBondContact O-N 3.37Å; D648-K651 VanDerWaalsContact O-N 3.11Å; D648-K651 IonicContact OD1-NZ 3.19Å; K651-I653 VanDerWaalsContact C-N 3.33Å; K651-I653 PolarHBondContact O-N 3.32Å; K651-R654 WeakPolarHBondContact O-CB 3.43Å; K651-R654 PolarHBondContact O-N 2.83Å; K651-R654 VanDerWaalsContact O-N 3.14Å; K651-N655 WeakPolarHBondContact O-CB 3.4Å; K651-N655 PolarHBondContact O-N 3.08Å
652D74.4Confident77.4Confident61 Ų6149.8 Ų49.833%0.32622%0.216SC..Hα-helixtrans-60.2-42.2176.6-67.5-21.7000111.4L41 D648 I649 A650 R654 N655 Q656L41-D652 HydrophobicContact CD2-CB 4.02Å; D648-D652 PolarHBondContact O-N 3.37Å; I649-D652 WeakPolarHBondContact O-CB 3.38Å; I649-D652 PolarHBondContact O-N 3.14Å; A650-D652 VanDerWaalsContact C-N 3.34Å; D652-R654 PolarHBondContact O-N 2.94Å; D652-N655 PolarHBondContact O-N 2.89Å; D652-Q656 WeakPolarHBondContact O-CB 3.47Å; D652-Q656 PolarHBondContact O-N 3.44Å
653I76.5Confident77.3Confident5 Ų549.4 Ų49.43%0.02621%0.214CC..Hα-helixtrans-61.5-44.5174.9-65.8162.5000111L23 V34 F37 V38 L40 L41 I649 A650 K651 N655 Q656L23-I653 HydrophobicContact CD2-CG2 3.83Å; V34-I653 HydrophobicContact CG1-CD1 3.93Å; F37-I653 HydrophobicContact CB-CD1 4.45Å; F37-I653 HydrophobicContact CB-CG2 4.27Å; V38-I653 HydrophobicContact CG2-CD1 4.41Å; L40-I653 HydrophobicContact CB-CG2 4.2Å; L40-I653 HydrophobicContact CD1-CG2 4.15Å; L41-I653 HydrophobicContact CD1-CG1 3.9Å; L41-I653 HydrophobicContact CD2-CB 4.47Å; L41-I653 HydrophobicContact CD2-CG1 3.89Å; L41-I653 HydrophobicContact CG-CG1 3.69Å; I649-I653 HydrophobicContact CG2-CD1 4.3Å; I649-I653 WeakPolarHBondContact O-CG1 3.26Å; I649-I653 PolarHBondContact O-N 3.39Å; A650-I653 PolarHBondContact O-N 2.97Å; K651-I653 VanDerWaalsContact C-N 3.33Å; K651-I653 PolarHBondContact O-N 3.32Å; I653-N655 VanDerWaalsContact C-N 3.34Å; I653-Q656 PolarHBondContact O-N 2.84Å
654R75.9Confident77.2Confident65 Ų6552.3 Ų52.325%0.24523%0.226CC..Hα-helixtrans-61.7-44.1176.8-66.4169.8-164.9177.64.3110.9L23 I24 A26 A650 K651 D652 R658L23-R654 PolarHBondContact O-NE 2.96Å; L23-R654 PolarHBondContact O-NH2 2.78Å; I24-R654 VanDerWaalsContact O-CZ 3.29Å; I24-R654 PolarHBondContact O-NH1 3Å; A26-R654 PolarHBondContact O-NH2 3.05Å; A650-R654 VanDerWaalsContact O-CG 3.31Å; A650-R654 WeakPolarHBondContact O-CG 3.16Å; A650-R654 PolarHBondContact O-N 3.1Å; K651-R654 WeakPolarHBondContact O-CB 3.43Å; K651-R654 PolarHBondContact O-N 2.83Å; K651-R654 VanDerWaalsContact O-N 3.14Å; D652-R654 PolarHBondContact O-N 2.94Å; R654-R658 PolarHBondContact O-N 2.93Å
655N73.1Confident77.2Confident39 Ų3952.1 Ų52.121%0.20923%0.234CC..Hα-helixtrans-69.3-38.4-178.3-74.7-16.3000111.7K651 D652 I653 R657 R658 Y659K651-N655 WeakPolarHBondContact O-CB 3.4Å; K651-N655 PolarHBondContact O-N 3.08Å; D652-N655 PolarHBondContact O-N 2.89Å; I653-N655 VanDerWaalsContact C-N 3.34Å; N655-R657 VanDerWaalsContact C-N 3.27Å; N655-R657 PolarHBondContact O-N 3.46Å; N655-R658 CarbonylContact O-C 3.57Å; N655-R658 WeakPolarHBondContact O-CA 3.36Å; N655-R658 WeakPolarHBondContact O-CB 3.41Å; N655-R658 PolarHBondContact O-N 3.43Å; N655-Y659 HydrophobicContact CB-CD2 4.24Å; N655-Y659 HydrophobicContact CB-CE2 3.94Å; N655-Y659 WeakPolarHBondContact O-CD2 3.3Å; N655-Y659 PolarHBondContact O-N 3.28Å
656Q73.3Confident77.2Confident17 Ų1753.8 Ų53.88%0.07924%0.241CC..Hα-helixtrans-57.5-39178.1-168.767.8-3.700112.6L41 H43 D652 I653 Y659 R660L41-Q656 HydrophobicContact CD2-CB 4.27Å; H43-Q656 PolarHBondContact NE2-NE2 3.33Å; D652-Q656 WeakPolarHBondContact O-CB 3.47Å; D652-Q656 PolarHBondContact O-N 3.44Å; I653-Q656 PolarHBondContact O-N 2.84Å; Q656-Y659 PolarHBondContact O-N 2.88Å; Q656-R660 WeakPolarHBondContact O-CG 3.37Å; Q656-R660 PolarHBondContact O-N 2.94Å
657R73.6Confident77.1Confident123 Ų12354.5 Ų54.546%0.46425%0.245SC..Hα-helixtrans-64-44.7173.4-177.5-179.1178.9-141-3.7111.7Y20 N655 Y659 R660 Q661Y20-R657 WeakPolarHBondContact OH-CD 3.28Å; Y20-R657 PolarHBondContact OH-NH1 2.84Å; N655-R657 VanDerWaalsContact C-N 3.27Å; N655-R657 PolarHBondContact O-N 3.46Å; R657-Y659 VanDerWaalsContact C-N 3.31Å; R657-Y659 PolarHBondContact O-N 3.09Å; R657-R660 PolarHBondContact O-N 3.23Å; R657-Q661 WeakPolarHBondContact O-CG 3.42Å; R657-Q661 PolarHBondContact O-N 2.74Å
658R73.1Confident77.2Confident131 Ų13157.1 Ų57.149%0.49426%0.262SS..Hα-helixtrans-61.2-41.7176.8-69177.2172.9-179.9-3.2110.7R654 N655 Q661 R662R654-R658 PolarHBondContact O-N 2.93Å; N655-R658 CarbonylContact O-C 3.57Å; N655-R658 WeakPolarHBondContact O-CA 3.36Å; N655-R658 WeakPolarHBondContact O-CB 3.41Å; N655-R658 PolarHBondContact O-N 3.43Å; R658-Q661 PolarHBondContact O-N 3.41Å; R658-R662 WeakPolarHBondContact O-CB 3.42Å; R658-R662 VanDerWaalsContact O-CG 3.25Å; R658-R662 WeakPolarHBondContact O-CG 3.5Å; R658-R662 PolarHBondContact O-N 2.8Å
659Y70.9Confident77.3Confident63 Ų6360.2 Ų60.225%0.24727%0.273CS..Hα-helixtrans-60.1-47.3174.5-75.4-65.6000112.2V453 N655 Q656 R657 Q661 R662 R663V453-Y659 HydrophobicContact CB-CE2 4.27Å; V453-Y659 HydrophobicContact CG1-CD2 4.1Å; V453-Y659 HydrophobicContact CG1-CE2 3.57Å; N655-Y659 HydrophobicContact CB-CD2 4.24Å; N655-Y659 HydrophobicContact CB-CE2 3.94Å; N655-Y659 WeakPolarHBondContact O-CD2 3.3Å; N655-Y659 PolarHBondContact O-N 3.28Å; Q656-Y659 PolarHBondContact O-N 2.88Å; R657-Y659 VanDerWaalsContact C-N 3.31Å; R657-Y659 PolarHBondContact O-N 3.09Å; Y659-Q661 VanDerWaalsContact C-N 3.34Å; Y659-Q661 PolarHBondContact O-N 3.43Å; Y659-R662 PolarHBondContact O-N 3.28Å; Y659-R663 WeakPolarHBondContact O-CB 3.43Å; Y659-R663 PolarHBondContact O-N 3.43Å
660R74.8Confident77.4Confident52 Ų5260.6 Ų60.620%0.19628%0.275CS..Hα-helixtrans-58.8-44175.1-70.3-171.1-175.6112.32.5112.4L40 D42 D47 Q656 R657 R663 K664L40-R660 PolarHBondContact O-NH1 3.32Å; L40-R660 PolarHBondContact O-NH2 3.08Å; D42-R660 PolarHBondContact O-NH2 3.01Å; D47-R660 VanDerWaalsContact OD1-CD 3.25Å; D47-R660 WeakPolarHBondContact OD1-CD 3.42Å; D47-R660 WeakPolarHBondContact OD1-CG 3.25Å; D47-R660 IonicContact OD1-NE 3.7Å; D47-R660 PolarHBondContact OD1-NE 3.19Å; D47-R660 VanDerWaalsContact OD1-NE 3.12Å; D47-R660 IonicContact OD2-CZ 3.09Å; D47-R660 IonicContact OD2-NE 2.96Å; D47-R660 PolarHBondContact OD2-NE 2.6Å; D47-R660 IonicContact OD2-NH2 2.83Å; D47-R660 PolarHBondContact OD2-NH2 2.94Å; Q656-R660 WeakPolarHBondContact O-CG 3.37Å; Q656-R660 PolarHBondContact O-N 2.94Å; R657-R660 PolarHBondContact O-N 3.23Å; R660-R663 PolarHBondContact O-N 3.14Å; R660-K664 WeakPolarHBondContact O-CG 3.25Å; R660-K664 PolarHBondContact O-N 3.41Å; R660-K664 VanDerWaalsContact O-N 3.13Å
661Q78.3Confident77.6Confident103 Ų10364.3 Ų64.348%0.48129%0.293SS..Hα-helixtrans-64.2-42.7177.3-73.2179.3-26.200112R657 R658 Y659 K664 A665R657-Q661 WeakPolarHBondContact O-CG 3.42Å; R657-Q661 PolarHBondContact O-N 2.74Å; R658-Q661 PolarHBondContact O-N 3.41Å; Y659-Q661 VanDerWaalsContact C-N 3.34Å; Y659-Q661 PolarHBondContact O-N 3.43Å; Q661-K664 PolarHBondContact O-N 3.28Å; Q661-A665 PolarHBondContact O-N 2.78Å
662R74.8Confident77.7Confident71 Ų7165.4 Ų65.427%0.26830%0.299SS..Hα-helixtrans-63.2-45.5176-74.6175.5-173.9-168.40.6111.7F444 N445 R658 Y659 K664 A665 E666F444-R662 PolarHBondContact O-NH1 2.93Å; N445-R662 PolarHBondContact ND2-NH2 3.47Å; R658-R662 WeakPolarHBondContact O-CB 3.42Å; R658-R662 VanDerWaalsContact O-CG 3.25Å; R658-R662 WeakPolarHBondContact O-CG 3.5Å; R658-R662 PolarHBondContact O-N 2.8Å; Y659-R662 PolarHBondContact O-N 3.28Å; R662-K664 VanDerWaalsContact C-N 3.31Å; R662-K664 PolarHBondContact O-N 2.94Å; R662-A665 PolarHBondContact O-N 3.08Å; R662-A665 VanDerWaalsContact O-N 3.15Å; R662-E666 WeakPolarHBondContact O-CB 3.45Å; R662-E666 PolarHBondContact O-N 2.96Å
663R78.6Confident78Confident25 Ų2564 Ų649%0.09429%0.293CS..Hα-helixtrans-54.7-47.9176-174.1-169.9-71.1138-3111D47 E51 L54 Y659 R660 E666 L667D47-R663 IonicContact OD1-NH1 3.36Å; D47-R663 PolarHBondContact OD1-NH1 3.44Å; E51-R663 IonicContact OE2-CZ 3.78Å; E51-R663 IonicContact OE2-NE 3.87Å; E51-R663 PolarHBondContact OE2-NE 2.89Å; E51-R663 IonicContact OE2-NH2 3.84Å; E51-R663 PolarHBondContact OE2-NH2 3.48Å; L54-R663 HydrophobicContact CD1-CG 3.53Å; Y659-R663 WeakPolarHBondContact O-CB 3.43Å; Y659-R663 PolarHBondContact O-N 3.43Å; R660-R663 PolarHBondContact O-N 3.14Å; R663-E666 PolarHBondContact O-N 3.47Å; R663-L667 WeakPolarHBondContact O-CB 3.45Å; R663-L667 PolarHBondContact O-N 2.9Å
664K81.4Confident78.3Confident110 Ų11064.4 Ų64.448%0.47830%0.295SS..Hα-helixtrans-61.9-44.3177.1-72.7-176.3177.1-166.30112.6E50 R660 Q661 R662 L667 V668E50-K664 WeakPolarHBondContact OE1-CE 3.5Å; E50-K664 IonicContact OE1-NZ 2.71Å; E50-K664 PolarHBondContact OE1-NZ 2.99Å; E50-K664 VanDerWaalsContact OE2-CE 3.3Å; E50-K664 WeakPolarHBondContact OE2-CE 3.38Å; R660-K664 WeakPolarHBondContact O-CG 3.25Å; R660-K664 PolarHBondContact O-N 3.41Å; R660-K664 VanDerWaalsContact O-N 3.13Å; Q661-K664 PolarHBondContact O-N 3.28Å; R662-K664 VanDerWaalsContact C-N 3.31Å; R662-K664 PolarHBondContact O-N 2.94Å; K664-L667 PolarHBondContact O-N 2.95Å; K664-V668 WeakPolarHBondContact O-CG2 3.32Å; K664-V668 PolarHBondContact O-N 2.97Å; K664-V668 VanDerWaalsContact O-N 3.12Å
665A80.1Confident78.6Confident63 Ų6364.7 Ų64.752%0.52131%0.308SS..Hα-helixtrans-64.5-40.517700000112.2Q661 R662 V668 K669Q661-A665 PolarHBondContact O-N 2.78Å; R662-A665 PolarHBondContact O-N 3.08Å; R662-A665 VanDerWaalsContact O-N 3.15Å; A665-V668 PolarHBondContact O-N 2.79Å; A665-K669 WeakPolarHBondContact O-CB 3.33Å; A665-K669 PolarHBondContact O-N 2.87Å
666E80.3Confident78.8Confident38 Ų3864.9 Ų64.918%0.17832%0.318CS..Hα-helixtrans-64-43.8175.9-173.4-179.3173.200111.3L54 R58 R662 R663 V668 K669 L670L54-E666 HydrophobicContact CD1-CB 4.46Å; L54-E666 HydrophobicContact CD1-CG 4.43Å; R58-E666 IonicContact CZ-OE1 2.98Å; R58-E666 IonicContact NE-OE1 2.86Å; R58-E666 PolarHBondContact NE-OE1 3.48Å; R58-E666 IonicContact NH2-OE1 2.69Å; R58-E666 PolarHBondContact NH2-OE1 3.2Å; R58-E666 IonicContact NH2-OE2 3.21Å; R58-E666 PolarHBondContact NH2-OE2 3.23Å; R662-E666 WeakPolarHBondContact O-CB 3.45Å; R662-E666 PolarHBondContact O-N 2.96Å; R663-E666 PolarHBondContact O-N 3.47Å; E666-V668 PolarHBondContact O-N 2.92Å; E666-K669 WeakPolarHBondContact O-CB 3.48Å; E666-K669 PolarHBondContact O-N 3.33Å; E666-K669 VanDerWaalsContact O-N 3.15Å; E666-L670 HydrophobicContact CG-CD1 4.06Å; E666-L670 HydrophobicContact CG-CG 4.34Å; E666-L670 WeakPolarHBondContact O-CB 3.5Å; E666-L670 WeakPolarHBondContact O-CG 3.49Å; E666-L670 PolarHBondContact O-N 2.88Å
667L82.3Confident79.2Confident17 Ų1764.4 Ų64.49%0.08932%0.316CS..Hα-helixtrans-58.8-47.4177.6-167.8155.4000110.9E50 E53 L57 R663 K664 K669 L670 Q671E50-L667 HydrophobicContact CB-CD1 4.39Å; E53-L667 HydrophobicContact CB-CD1 4.3Å; E53-L667 HydrophobicContact CG-CD1 4.38Å; L57-L667 HydrophobicContact CD1-CG 4.27Å; R663-L667 WeakPolarHBondContact O-CB 3.45Å; R663-L667 PolarHBondContact O-N 2.9Å; K664-L667 PolarHBondContact O-N 2.95Å; L667-K669 PolarHBondContact O-N 3.09Å; L667-L670 PolarHBondContact O-N 3.19Å; L667-Q671 VanDerWaalsContact CD2-CD 3.48Å; L667-Q671 HydrophobicContact CD2-CG 4.17Å; L667-Q671 VanDerWaalsContact CD2-NE2 3.26Å; L667-Q671 WeakPolarHBondContact O-CB 3.03Å; L667-Q671 VanDerWaalsContact O-CG 3.31Å; L667-Q671 WeakPolarHBondContact O-CG 3.17Å; L667-Q671 PolarHBondContact O-N 2.9Å
668V84.3Confident79.6Confident70 Ų7061.4 Ų61.442%0.42431%0.31SS..Hα-helixtrans-60.6-43.8174.9173.90000111.4K664 A665 E666 Q671 Q672K664-V668 WeakPolarHBondContact O-CG2 3.32Å; K664-V668 PolarHBondContact O-N 2.97Å; K664-V668 VanDerWaalsContact O-N 3.12Å; A665-V668 PolarHBondContact O-N 2.79Å; E666-V668 PolarHBondContact O-N 2.92Å; V668-Q671 PolarHBondContact O-N 3.07Å; V668-Q672 WeakPolarHBondContact O-CG 3.34Å; V668-Q672 PolarHBondContact O-N 2.96Å
669K80.1Confident79.9Confident104 Ų10458.7 Ų58.745%0.45231%0.31SS..Hα-helixtrans-63.5-42.5178.8-174.6-175.8177.2-171.90112A665 E666 L667 Q672 T673A665-K669 WeakPolarHBondContact O-CB 3.33Å; A665-K669 PolarHBondContact O-N 2.87Å; E666-K669 WeakPolarHBondContact O-CB 3.48Å; E666-K669 PolarHBondContact O-N 3.33Å; E666-K669 VanDerWaalsContact O-N 3.15Å; L667-K669 PolarHBondContact O-N 3.09Å; K669-Q672 PolarHBondContact O-N 3.44Å; K669-T673 WeakPolarHBondContact O-CB 3.06Å; K669-T673 PolarHBondContact O-N 3.42Å; K669-T673 PolarHBondContact O-OG1 2.88Å
670L80.6Confident80.3Confident8 Ų857.3 Ų57.34%0.04231%0.306CS..Hα-helixtrans-67-41.4177.2-75174.1000111.3L54 L57 R58 V61 E666 L667 Q672 T673 N674L54-L670 HydrophobicContact CD2-CD1 4.18Å; L54-L670 HydrophobicContact CG-CD1 4.26Å; L57-L670 HydrophobicContact CB-CB 4.41Å; R58-L670 HydrophobicContact CG-CD1 3.71Å; V61-L670 HydrophobicContact CG2-CD2 4.23Å; E666-L670 HydrophobicContact CG-CD1 4.06Å; E666-L670 HydrophobicContact CG-CG 4.34Å; E666-L670 WeakPolarHBondContact O-CB 3.5Å; E666-L670 WeakPolarHBondContact O-CG 3.49Å; E666-L670 PolarHBondContact O-N 2.88Å; L667-L670 PolarHBondContact O-N 3.19Å; L670-Q672 PolarHBondContact O-N 2.89Å; L670-T673 PolarHBondContact O-N 2.83Å; L670-N674 WeakPolarHBondContact O-CB 3.09Å; L670-N674 PolarHBondContact O-N 3.39Å
671Q84.7Confident80.6Confident78 Ų7855.6 Ų55.636%0.36430%0.301SS..Hα-helixtrans-59.3-45.2174-74.6176.5-18.700111.8E53 L57 L667 V668 N674 S675E53-Q671 PolarHBondContact OE1-NE2 3.19Å; L57-Q671 HydrophobicContact CD1-CG 3.58Å; L57-Q671 HydrophobicContact CD2-CG 4.35Å; L667-Q671 VanDerWaalsContact CD2-CD 3.48Å; L667-Q671 HydrophobicContact CD2-CG 4.17Å; L667-Q671 VanDerWaalsContact CD2-NE2 3.26Å; L667-Q671 WeakPolarHBondContact O-CB 3.03Å; L667-Q671 VanDerWaalsContact O-CG 3.31Å; L667-Q671 WeakPolarHBondContact O-CG 3.17Å; L667-Q671 PolarHBondContact O-N 2.9Å; V668-Q671 PolarHBondContact O-N 3.07Å; Q671-N674 PolarHBondContact O-N 3.38Å; Q671-S675 PolarHBondContact O-N 2.98Å
672Q81Confident80.8Confident130 Ų13054.5 Ų54.561%0.60730%0.302SS*.Hα-helixtrans-62.2-44.3175.1-72.5175.7-1.700112.1V668 K669 L670 S675 G676V668-Q672 WeakPolarHBondContact O-CG 3.34Å; V668-Q672 PolarHBondContact O-N 2.96Å; K669-Q672 PolarHBondContact O-N 3.44Å; L670-Q672 PolarHBondContact O-N 2.89Å; Q672-S675 PolarHBondContact O-N 2.89Å; Q672-G676 PolarHBondContact O-N 3.25Å
673T79.4Confident81Confident33 Ų3354 Ų5420%0.20230%0.302CS..Hα-helixtrans-61.9-45.5177.9-55.60000110.7V61 K669 L670 S675 G676 L677V61-T673 HydrophobicContact CG1-CG2 4.21Å; K669-T673 WeakPolarHBondContact O-CB 3.06Å; K669-T673 PolarHBondContact O-N 3.42Å; K669-T673 PolarHBondContact O-OG1 2.88Å; L670-T673 PolarHBondContact O-N 2.83Å; T673-S675 PolarHBondContact O-N 3.42Å; T673-G676 PolarHBondContact O-N 3.35Å; T673-L677 HydrophobicContact CG2-CD1 4.11Å; T673-L677 WeakPolarHBondContact O-CG 3.27Å; T673-L677 PolarHBondContact O-N 3.36Å
674N82.8Confident81Confident12 Ų1253.3 Ų53.36%0.06430%0.299CS..Hα-helixtrans-63.2-41.6178.1-164.252.7000112E60 V61 N64 L670 Q671 G676 L677 N678E60-N674 VanDerWaalsContact CD-ND2 3.32Å; E60-N674 PolarHBondContact OE1-ND2 3.36Å; V61-N674 HydrophobicContact CG2-CB 3.79Å; N64-N674 PolarHBondContact ND2-OD1 2.91Å; L670-N674 WeakPolarHBondContact O-CB 3.09Å; L670-N674 PolarHBondContact O-N 3.39Å; Q671-N674 PolarHBondContact O-N 3.38Å; N674-G676 PolarHBondContact O-N 3.47Å; N674-L677 PolarHBondContact O-N 2.73Å; N674-N678 WeakPolarHBondContact O-CB 3.39Å; N674-N678 VanDerWaalsContact O-CG 3.3Å; N674-N678 PolarHBondContact O-N 2.88Å; N674-N678 PolarHBondContact O-ND2 2.86Å
675S83.1Confident80.9Confident72 Ų7250.4 Ų50.450%0.50329%0.289SS..Hα-helixtrans-59.8-45.4173.4-1720000111.7Q671 Q672 T673 N678 S679Q671-S675 PolarHBondContact O-N 2.98Å; Q672-S675 PolarHBondContact O-N 2.89Å; T673-S675 PolarHBondContact O-N 3.42Å; S675-N678 PolarHBondContact O-N 3.45Å; S675-S679 PolarHBondContact O-N 3.44Å; S675-S679 PolarHBondContact O-OG 3.4Å
676G78.4Confident80.8Confident42 Ų4251.9 Ų51.943%0.43329%0.286SS..Hα-helixtrans-63.5-40.3177.500000112.8Q672 T673 N674 S679 K680Q672-G676 PolarHBondContact O-N 3.25Å; T673-G676 PolarHBondContact O-N 3.35Å; N674-G676 PolarHBondContact O-N 3.47Å; G676-S679 PolarHBondContact O-N 3.47Å; G676-K680 WeakPolarHBondContact O-CB 3.27Å; G676-K680 PolarHBondContact O-N 3.07Å
677L80.4Confident80.4Confident7 Ų751.6 Ų51.64%0.03728%0.284CS..Hα-helixtrans-62.6-44.6173.9-71.6167.7000111.6V61 N64 I65 N68 A227 T673 N674 S679 K680 T681V61-L677 HydrophobicContact CB-CD1 4.49Å; V61-L677 HydrophobicContact CG1-CD1 4Å; N64-L677 HydrophobicContact CB-CB 4.1Å; N64-L677 HydrophobicContact CB-CD1 4.05Å; I65-L677 HydrophobicContact CD1-CD1 4.41Å; I65-L677 HydrophobicContact CG1-CD1 3.65Å; I65-L677 HydrophobicContact CG1-CD2 3.86Å; I65-L677 HydrophobicContact CG1-CG 4.42Å; N68-L677 PolarHBondContact ND2-O 2.91Å; A227-L677 HydrophobicContact CB-CD2 3.77Å; T673-L677 HydrophobicContact CG2-CD1 4.11Å; T673-L677 WeakPolarHBondContact O-CG 3.27Å; T673-L677 PolarHBondContact O-N 3.36Å; N674-L677 PolarHBondContact O-N 2.73Å; L677-S679 PolarHBondContact O-N 3.47Å; L677-K680 WeakPolarHBondContact O-CB 3.36Å; L677-K680 PolarHBondContact O-N 3.27Å; L677-K680 VanDerWaalsContact O-N 3.14Å; L677-T681 PolarHBondContact O-N 2.79Å; L677-T681 PolarHBondContact O-OG1 2.85Å
678N81.6Confident80.1Confident61 Ų6151 Ų5133%0.32628%0.281SS..Hα-helixtrans-64.7-38.5177.7-73.8-25.6000112.5N64 N674 S675 K680 T681 T682N64-N678 PolarHBondContact ND2-OD1 3.45Å; N674-N678 WeakPolarHBondContact O-CB 3.39Å; N674-N678 VanDerWaalsContact O-CG 3.3Å; N674-N678 PolarHBondContact O-N 2.88Å; N674-N678 PolarHBondContact O-ND2 2.86Å; S675-N678 PolarHBondContact O-N 3.45Å; N678-K680 VanDerWaalsContact C-N 3.31Å; N678-K680 PolarHBondContact O-N 3.47Å; N678-T681 WeakPolarHBondContact O-CB 3.34Å; N678-T681 PolarHBondContact O-N 3.46Å; N678-T682 PolarHBondContact O-N 3.13Å; N678-T682 PolarHBondContact O-OG1 3.28Å
679S81.2Confident79.8Confident73 Ų7352.4 Ų52.451%0.5129%0.287SS..Hα-helixtrans-60.7-42.5171.5-63.70000111.3S675 G676 L677 T682 F683S675-S679 PolarHBondContact O-N 3.44Å; S675-S679 PolarHBondContact O-OG 3.4Å; G676-S679 PolarHBondContact O-N 3.47Å; L677-S679 PolarHBondContact O-N 3.47Å; S679-T682 WeakPolarHBondContact O-CB 3.26Å; S679-T682 PolarHBondContact O-N 3.17Å; S679-F683 PolarHBondContact O-N 2.95Å
680K79.1Confident79.4Confident34 Ų3449.1 Ų49.115%0.14828%0.277CS..Hα-helixtrans-64.7-42.1176.3-172.6163.1176.9163.40112.2D372 G676 L677 N678 T682 F683 Y684D372-K680 IonicContact OD2-NZ 3.3Å; D372-K680 PolarHBondContact OD2-NZ 3.44Å; G676-K680 WeakPolarHBondContact O-CB 3.27Å; G676-K680 PolarHBondContact O-N 3.07Å; L677-K680 WeakPolarHBondContact O-CB 3.36Å; L677-K680 PolarHBondContact O-N 3.27Å; L677-K680 VanDerWaalsContact O-N 3.14Å; N678-K680 VanDerWaalsContact C-N 3.31Å; N678-K680 PolarHBondContact O-N 3.47Å; K680-T682 VanDerWaalsContact C-N 3.29Å; K680-T682 PolarHBondContact O-N 3.28Å; K680-F683 WeakPolarHBondContact O-CB 3.37Å; K680-F683 PolarHBondContact O-N 2.79Å; K680-Y684 HydrophobicContact CD-CE2 4.25Å; K680-Y684 WeakPolarHBondContact CE-OH 3.39Å; K680-Y684 HydrophobicContact CG-CD2 4.17Å; K680-Y684 HydrophobicContact CG-CE2 3.7Å; K680-Y684 PolarHBondContact NZ-OH 2.77Å; K680-Y684 PolarHBondContact O-N 3.42Å
681T80.7Confident79Confident17 Ų1750.1 Ų50.110%0.10428%0.28CS..Hα-helixtrans-57-44.5171.9-46.80000111N68 L71 L677 N678 Y684 N685N68-T681 PolarHBondContact ND2-OG1 3.31Å; N68-T681 WeakPolarHBondContact OD1-CA 3.34Å; N68-T681 PolarHBondContact OD1-OG1 3.43Å; L71-T681 HydrophobicContact CD1-CG2 4.12Å; L677-T681 PolarHBondContact O-N 2.79Å; L677-T681 PolarHBondContact O-OG1 2.85Å; N678-T681 WeakPolarHBondContact O-CB 3.34Å; N678-T681 PolarHBondContact O-N 3.46Å; T681-Y684 PolarHBondContact O-N 2.81Å; T681-N685 PolarHBondContact O-N 3.42Å; T681-N685 PolarHBondContact O-ND2 3.31Å
682T81.6Confident78.4Confident80 Ų8048 Ų4849%0.49127%0.272SS..Hα-helixtrans-63.9-42.4178.4-53.30000111.2N678 S679 K680 N685 M686N678-T682 PolarHBondContact O-N 3.13Å; N678-T682 PolarHBondContact O-OG1 3.28Å; S679-T682 WeakPolarHBondContact O-CB 3.26Å; S679-T682 PolarHBondContact O-N 3.17Å; K680-T682 VanDerWaalsContact C-N 3.29Å; K680-T682 PolarHBondContact O-N 3.28Å; T682-N685 PolarHBondContact O-N 2.95Å; T682-M686 WeakPolarHBondContact O-CG 3.5Å; T682-M686 PolarHBondContact O-N 2.87Å
683F79.3Confident78.1Confident60 Ų6048.3 Ų48.326%0.26327%0.273SS..Hα-helixtrans-60.4-48.2175.2179.2-96.8000112.7V376 S679 K680 N685 M686 Q687V376-F683 WeakPolarHBondContact O-CE2 3.27Å; S679-F683 PolarHBondContact O-N 2.95Å; K680-F683 WeakPolarHBondContact O-CB 3.37Å; K680-F683 PolarHBondContact O-N 2.79Å; F683-N685 VanDerWaalsContact C-N 3.29Å; F683-N685 PolarHBondContact O-N 3.22Å; F683-M686 HydrophobicContact CB-CE 4.37Å; F683-M686 HydrophobicContact CD2-CE 4.24Å; F683-M686 WeakPolarHBondContact O-CB 3.48Å; F683-M686 PolarHBondContact O-N 2.97Å; F683-M686 VanDerWaalsContact O-N 3.11Å; F683-Q687 PolarHBondContact O-N 3.12Å
684Y79.2Confident77.6Confident11 Ų1151.5 Ų51.54%0.04328%0.282CS..Hα-helixtrans-60.4-38175.8-70.4-29.1000112.7N68 L71 E72 L75 K680 T681 Q687 I688N68-Y684 HydrophobicContact CB-CE2 4.27Å; L71-Y684 HydrophobicContact CB-CD2 3.82Å; L71-Y684 HydrophobicContact CB-CE2 4.47Å; L71-Y684 HydrophobicContact CB-CG 4.35Å; L71-Y684 HydrophobicContact CD1-CD2 4.33Å; E72-Y684 HydrophobicContact CB-CE2 4.04Å; E72-Y684 WeakPolarHBondContact CB-OH 3.36Å; E72-Y684 VanDerWaalsContact CD-OH 3.32Å; E72-Y684 WeakPolarHBondContact CG-OH 3.24Å; E72-Y684 PolarHBondContact OE2-OH 2.75Å; L75-Y684 HydrophobicContact CD1-CD1 3.38Å; L75-Y684 HydrophobicContact CD1-CE1 4.15Å; L75-Y684 HydrophobicContact CD1-CG 3.67Å; K680-Y684 HydrophobicContact CD-CE2 4.25Å; K680-Y684 WeakPolarHBondContact CE-OH 3.39Å; K680-Y684 HydrophobicContact CG-CD2 4.17Å; K680-Y684 HydrophobicContact CG-CE2 3.7Å; K680-Y684 PolarHBondContact NZ-OH 2.77Å; K680-Y684 PolarHBondContact O-N 3.42Å; T681-Y684 PolarHBondContact O-N 2.81Å; Y684-Q687 PolarHBondContact O-N 3.14Å; Y684-I688 VanDerWaalsContact O-CG1 3.29Å; Y684-I688 WeakPolarHBondContact O-CG1 3.44Å; Y684-I688 PolarHBondContact O-N 3.37Å
685N78.4Confident77Confident48 Ų4851.4 Ų51.426%0.25728%0.281SS..Hα-helixtrans-62.9-44.3172.9-75.8-48.2000112.1N106 T681 T682 F683 Q687 I688 D689N106-N685 PolarHBondContact ND2-OD1 3.34Å; T681-N685 PolarHBondContact O-N 3.42Å; T681-N685 PolarHBondContact O-ND2 3.31Å; T682-N685 PolarHBondContact O-N 2.95Å; F683-N685 VanDerWaalsContact C-N 3.29Å; F683-N685 PolarHBondContact O-N 3.22Å; N685-Q687 VanDerWaalsContact C-N 3.28Å; N685-Q687 PolarHBondContact O-N 3.15Å; N685-I688 WeakPolarHBondContact O-CB 3.4Å; N685-I688 PolarHBondContact O-N 3.46Å; N685-D689 PolarHBondContact O-N 3.41Å
686M79.1Confident76.4Confident94 Ų9454.5 Ų54.546%0.46329%0.285SS..Hα-helixtrans-61.2-37.2174.7-68.8-173.1-67.500112.2A378 T682 F683 D689 S690A378-M686 HydrophobicContact CB-CB 4.31Å; T682-M686 WeakPolarHBondContact O-CG 3.5Å; T682-M686 PolarHBondContact O-N 2.87Å; F683-M686 HydrophobicContact CB-CE 4.37Å; F683-M686 HydrophobicContact CD2-CE 4.24Å; F683-M686 WeakPolarHBondContact O-CB 3.48Å; F683-M686 PolarHBondContact O-N 2.97Å; F683-M686 VanDerWaalsContact O-N 3.11Å; M686-D689 PolarHBondContact O-N 3.22Å; M686-S690 PolarHBondContact O-N 3.49Å
687Q71.1Confident76.1Confident32 Ų3255.8 Ų55.815%0.1529%0.285CS..Hα-helixtrans-67.8-41.4176.4-165.4177.511.700111.9L75 F683 Y684 N685 D689 S690 Y691L75-Q687 HydrophobicContact CD1-CB 4.49Å; F683-Q687 PolarHBondContact O-N 3.12Å; Y684-Q687 PolarHBondContact O-N 3.14Å; N685-Q687 VanDerWaalsContact C-N 3.28Å; N685-Q687 PolarHBondContact O-N 3.15Å; Q687-D689 VanDerWaalsContact C-N 3.3Å; Q687-D689 PolarHBondContact O-N 3.36Å; Q687-S690 WeakPolarHBondContact O-CB 3.46Å; Q687-S690 PolarHBondContact O-N 3.24Å; Q687-Y691 HydrophobicContact CG-CD2 4.26Å; Q687-Y691 HydrophobicContact CG-CE2 3.58Å; Q687-Y691 PolarHBondContact NE2-OH 2.89Å; Q687-Y691 WeakPolarHBondContact O-CD2 3.46Å; Q687-Y691 PolarHBondContact O-N 2.99Å
688I76.3Confident75.3Confident5 Ų556.8 Ų56.83%0.02629%0.292CS..Hα-helixtrans-57.9-45171.6-71.2166.2000110.3L71 L75 L102 T103 N106 Y684 N685 S690 Y691 N692L71-I688 HydrophobicContact CD2-CD1 4.02Å; L75-I688 HydrophobicContact CD2-CD1 4.34Å; L75-I688 HydrophobicContact CD2-CG1 3.45Å; L75-I688 VanDerWaalsContact CD2-CG1 3.45Å; L75-I688 HydrophobicContact CG-CG1 4.24Å; L102-I688 HydrophobicContact CD2-CD1 4.08Å; L102-I688 HydrophobicContact CD2-CG1 4.43Å; T103-I688 HydrophobicContact CG2-CG2 4.26Å; N106-I688 VanDerWaalsContact ND2-CD1 3.27Å; N106-I688 WeakPolarHBondContact ND2-CD1 3.37Å; Y684-I688 VanDerWaalsContact O-CG1 3.29Å; Y684-I688 WeakPolarHBondContact O-CG1 3.44Å; Y684-I688 PolarHBondContact O-N 3.37Å; N685-I688 WeakPolarHBondContact O-CB 3.4Å; N685-I688 PolarHBondContact O-N 3.46Å; I688-S690 VanDerWaalsContact C-N 3.35Å; I688-S690 PolarHBondContact O-N 3.09Å; I688-Y691 PolarHBondContact O-N 3.48Å; I688-N692 WeakPolarHBondContact CG2-ND2 3.41Å; I688-N692 WeakPolarHBondContact O-CB 3.35Å; I688-N692 PolarHBondContact O-N 2.97Å; I688-N692 PolarHBondContact O-ND2 2.98Å; I688-N692 VanDerWaalsContact O-ND2 3.08Å
689D77.6Confident74.3Confident100 Ų10058 Ų5854%0.53530%0.297SS..Hα-helixtrans-62.8-40.6177.7-71.9-23.4000112N685 M686 Q687 N692 Q693N685-D689 PolarHBondContact O-N 3.41Å; M686-D689 PolarHBondContact O-N 3.22Å; Q687-D689 VanDerWaalsContact C-N 3.3Å; Q687-D689 PolarHBondContact O-N 3.36Å; D689-N692 WeakPolarHBondContact O-CB 3.44Å; D689-N692 PolarHBondContact O-N 3.36Å; D689-Q693 WeakPolarHBondContact O-CB 3.21Å; D689-Q693 PolarHBondContact O-N 3.49Å
690S71.8Confident73.5Confident35 Ų3558.6 Ų58.625%0.24530%0.295CS..Hα-helixtrans-61-46.5173.5-175.60000112.2M686 Q687 I688 N692 Q693 Y694M686-S690 PolarHBondContact O-N 3.49Å; Q687-S690 WeakPolarHBondContact O-CB 3.46Å; Q687-S690 PolarHBondContact O-N 3.24Å; I688-S690 VanDerWaalsContact C-N 3.35Å; I688-S690 PolarHBondContact O-N 3.09Å; S690-N692 VanDerWaalsContact C-N 3.34Å; S690-N692 PolarHBondContact O-N 3.49Å; S690-Q693 WeakPolarHBondContact O-CB 3.41Å; S690-Q693 PolarHBondContact O-N 3.49Å; S690-Y694 PolarHBondContact O-N 3.08Å
691Y72.4Confident72.7Confident29 Ų2961.6 Ų61.611%0.11431%0.312CS..Hα-helixtrans-63-39.3174.6-66.7-40000112.7L75 M78 D79 I82 Q687 I688 Q693 Y694 I695L75-Y691 HydrophobicContact CD2-CD2 3.86Å; L75-Y691 HydrophobicContact CD2-CE2 3.73Å; M78-Y691 HydrophobicContact CG-CD2 4.06Å; M78-Y691 HydrophobicContact CG-CG 4.38Å; D79-Y691 WeakPolarHBondContact OD1-CE1 3.31Å; D79-Y691 PolarHBondContact OD1-OH 3.48Å; D79-Y691 PolarHBondContact OD2-OH 3.11Å; D79-Y691 VanDerWaalsContact OD2-OH 3.06Å; I82-Y691 HydrophobicContact CD1-CD1 3.37Å; I82-Y691 HydrophobicContact CD1-CE1 3.94Å; I82-Y691 HydrophobicContact CD1-CG 3.78Å; Q687-Y691 HydrophobicContact CG-CD2 4.26Å; Q687-Y691 HydrophobicContact CG-CE2 3.58Å; Q687-Y691 PolarHBondContact NE2-OH 2.89Å; Q687-Y691 WeakPolarHBondContact O-CD2 3.46Å; Q687-Y691 PolarHBondContact O-N 2.99Å; I688-Y691 PolarHBondContact O-N 3.48Å; Y691-Q693 VanDerWaalsContact C-N 3.32Å; Y691-Q693 PolarHBondContact O-N 3.13Å; Y691-Y694 PolarHBondContact O-N 3.23Å; Y691-I695 WeakPolarHBondContact O-CD1 3.25Å; Y691-I695 VanDerWaalsContact O-CG1 3.3Å; Y691-I695 WeakPolarHBondContact O-CG1 3.48Å; Y691-I695 PolarHBondContact O-N 3.11Å
692N71.8Confident71.5Confident34 Ų3465.6 Ų65.618%0.18233%0.332CS..Hα-helixtrans-62.7-40.8174.7-72.9-36.5000111.5S99 T103 I688 D689 S690 I695 K696S99-N692 WeakPolarHBondContact CB-OD1 3.46Å; T103-N692 WeakPolarHBondContact CG2-ND2 3.38Å; I688-N692 WeakPolarHBondContact CG2-ND2 3.41Å; I688-N692 WeakPolarHBondContact O-CB 3.35Å; I688-N692 PolarHBondContact O-N 2.97Å; I688-N692 PolarHBondContact O-ND2 2.98Å; I688-N692 VanDerWaalsContact O-ND2 3.08Å; D689-N692 WeakPolarHBondContact O-CB 3.44Å; D689-N692 PolarHBondContact O-N 3.36Å; S690-N692 VanDerWaalsContact C-N 3.34Å; S690-N692 PolarHBondContact O-N 3.49Å; N692-I695 PolarHBondContact O-N 2.91Å; N692-K696 VanDerWaalsContact O-CB 3.3Å; N692-K696 WeakPolarHBondContact O-CB 3.39Å; N692-K696 PolarHBondContact O-N 2.87Å
693Q76.1Confident69.7Low136 Ų13664 Ų6464%0.63633%0.328SS*.Hα-helixtrans-63.9-45.4175.4-171.3172.6500111.1D689 S690 Y691 I695 K696 T697D689-Q693 WeakPolarHBondContact O-CB 3.21Å; D689-Q693 PolarHBondContact O-N 3.49Å; S690-Q693 WeakPolarHBondContact O-CB 3.41Å; S690-Q693 PolarHBondContact O-N 3.49Å; Y691-Q693 VanDerWaalsContact C-N 3.32Å; Y691-Q693 PolarHBondContact O-N 3.13Å; Q693-I695 PolarHBondContact O-N 3.03Å; Q693-K696 WeakPolarHBondContact O-CB 3.45Å; Q693-K696 PolarHBondContact O-N 3Å; Q693-T697 PolarHBondContact O-N 3.44Å; Q693-T697 PolarHBondContact O-OG1 2.8Å; Q693-T697 VanDerWaalsContact O-OG1 3.07Å
694Y68.2Low68.2Low100 Ų10064.2 Ų64.239%0.39234%0.337SS..Hα-helixtrans-57.7-47.1175.4177.2-99.8000112.4I82 S690 Y691 K696 T697 C698I82-Y694 HydrophobicContact CG2-CD1 4.42Å; I82-Y694 HydrophobicContact CG2-CE1 3.93Å; S690-Y694 PolarHBondContact O-N 3.08Å; Y691-Y694 PolarHBondContact O-N 3.23Å; Y694-K696 VanDerWaalsContact C-N 3.33Å; Y694-K696 PolarHBondContact O-N 3.06Å; Y694-T697 PolarHBondContact O-N 3.48Å; Y694-C698 PolarHBondContact O-N 3.2Å; Y694-C698 PolarHBondContact O-SG 3.02Å
695I69Low66.6Low9 Ų969.8 Ų69.85%0.04636%0.361CS..Hα-helixtrans-63.3-42177.2-70.5164.1000111M78 V95 V96 Y691 N692 Q693 T697 C698 M699M78-I695 HydrophobicContact CE-CD1 3.23Å; V95-I695 HydrophobicContact CG1-CD1 3.68Å; V95-I695 HydrophobicContact CG1-CG1 4.08Å; V96-I695 HydrophobicContact CG2-CG2 3.54Å; Y691-I695 WeakPolarHBondContact O-CD1 3.25Å; Y691-I695 VanDerWaalsContact O-CG1 3.3Å; Y691-I695 WeakPolarHBondContact O-CG1 3.48Å; Y691-I695 PolarHBondContact O-N 3.11Å; N692-I695 PolarHBondContact O-N 2.91Å; Q693-I695 PolarHBondContact O-N 3.03Å; I695-T697 VanDerWaalsContact C-N 3.33Å; I695-T697 PolarHBondContact O-N 3.49Å; I695-C698 WeakPolarHBondContact O-CB 3.25Å; I695-C698 PolarHBondContact O-N 2.96Å; I695-M699 HydrophobicContact CG2-CG 4.33Å; I695-M699 WeakPolarHBondContact O-CB 3.27Å; I695-M699 VanDerWaalsContact O-CG 3.31Å; I695-M699 WeakPolarHBondContact O-CG 3.38Å; I695-M699 PolarHBondContact O-N 3.29Å
696K71.5Confident64.8Low137 Ų13770.1 Ų70.160%0.59638%0.375SS*.Hα-helixtrans-60.7-44.6176.7-170.5178.8178.4-176.30110.7N692 Q693 Y694 C698 M699 D700N692-K696 VanDerWaalsContact O-CB 3.3Å; N692-K696 WeakPolarHBondContact O-CB 3.39Å; N692-K696 PolarHBondContact O-N 2.87Å; Q693-K696 WeakPolarHBondContact O-CB 3.45Å; Q693-K696 PolarHBondContact O-N 3Å; Y694-K696 VanDerWaalsContact C-N 3.33Å; Y694-K696 PolarHBondContact O-N 3.06Å; K696-C698 VanDerWaalsContact C-N 3.35Å; K696-C698 PolarHBondContact O-N 3.27Å; K696-M699 WeakPolarHBondContact O-CB 3.45Å; K696-M699 PolarHBondContact O-N 3.25Å; K696-D700 WeakPolarHBondContact O-CB 3.46Å; K696-D700 PolarHBondContact O-N 3.5Å
697T72.9Confident62.7Low69 Ų6971.6 Ų71.642%0.42339%0.385SS..Hα-helixtrans-61.3-40.4173.9-56.20000112.3Q693 Y694 I695 D700 N701Q693-T697 PolarHBondContact O-N 3.44Å; Q693-T697 PolarHBondContact O-OG1 2.8Å; Q693-T697 VanDerWaalsContact O-OG1 3.07Å; Y694-T697 PolarHBondContact O-N 3.48Å; I695-T697 VanDerWaalsContact C-N 3.33Å; I695-T697 PolarHBondContact O-N 3.49Å; T697-D700 PolarHBondContact O-N 3.07Å; T697-N701 WeakPolarHBondContact O-CB 3.36Å; T697-N701 PolarHBondContact O-N 2.97Å; T697-N701 PolarHBondContact O-ND2 2.96Å
698C61.7Low61.2Low28 Ų2877.7 Ų77.719%0.18942%0.419CS..Hα-helixtrans-62.8-43.1174.2-65.20000112.2L92 Y694 I695 K696 N701 L702L92-C698 HydrophobicContact CD1-CB 4.32Å; L92-C698 HydrophobicContact CD2-CB 4.47Å; Y694-C698 PolarHBondContact O-N 3.2Å; Y694-C698 PolarHBondContact O-SG 3.02Å; I695-C698 WeakPolarHBondContact O-CB 3.25Å; I695-C698 PolarHBondContact O-N 2.96Å; K696-C698 VanDerWaalsContact C-N 3.35Å; K696-C698 PolarHBondContact O-N 3.27Å; C698-N701 PolarHBondContact O-N 3.23Å; C698-L702 WeakPolarHBondContact O-CD1 3.49Å; C698-L702 WeakPolarHBondContact O-CG 3.38Å; C698-L702 PolarHBondContact O-N 3.42Å; C698-L702 VanDerWaalsContact O-N 3.07Å
699M60.5Low59.6Low88 Ų8885.8 Ų85.843%0.43345%0.454SS..Hα-helixtrans-65-42.4176-72.1-66.6-60.100112L92 V96 I695 K696 N701 L702 A703L92-M699 HydrophobicContact CD2-CG 4.08Å; L92-M699 HydrophobicContact CD2-SD 3.33Å; L92-M699 WeakPolarHBondContact CD2-SD 3.3Å; L92-M699 HydrophobicContact CG-SD 3.95Å; V96-M699 HydrophobicContact CG2-CG 4.5Å; V96-M699 HydrophobicContact CG2-SD 4.29Å; I695-M699 HydrophobicContact CG2-CG 4.33Å; I695-M699 WeakPolarHBondContact O-CB 3.27Å; I695-M699 VanDerWaalsContact O-CG 3.31Å; I695-M699 WeakPolarHBondContact O-CG 3.38Å; I695-M699 PolarHBondContact O-N 3.29Å; K696-M699 WeakPolarHBondContact O-CB 3.45Å; K696-M699 PolarHBondContact O-N 3.25Å; M699-N701 VanDerWaalsContact C-N 3.33Å; M699-N701 PolarHBondContact O-N 3.49Å; M699-L702 PolarHBondContact O-N 3.36Å; M699-A703 WeakPolarHBondContact O-CB 3.45Å; M699-A703 PolarHBondContact O-N 3.17Å
700D66.4Low58Low85 Ų8589 Ų8946%0.45547%0.47SS..Hα-helixtrans-66.4-35.6177.2-69.2-20.8000111.1K696 T697 L702 A703 S704K696-D700 WeakPolarHBondContact O-CB 3.46Å; K696-D700 PolarHBondContact O-N 3.5Å; T697-D700 PolarHBondContact O-N 3.07Å; D700-L702 VanDerWaalsContact C-N 3.33Å; D700-L702 PolarHBondContact O-N 3.23Å; D700-A703 PolarHBondContact O-N 2.87Å; D700-S704 WeakPolarHBondContact O-CB 3.5Å; D700-S704 PolarHBondContact O-N 3.07Å; D700-S704 PolarHBondContact O-OG 3.32Å
701N61.5Low56.3Low96 Ų9696.4 Ų96.451%0.51350%0.501SS..Hα-helixtrans-67.7-30.7173-74.5-25.4000112.9T697 C698 M699 S704T697-N701 WeakPolarHBondContact O-CB 3.36Å; T697-N701 PolarHBondContact O-N 2.97Å; T697-N701 PolarHBondContact O-ND2 2.96Å; C698-N701 PolarHBondContact O-N 3.23Å; M699-N701 VanDerWaalsContact C-N 3.33Å; M699-N701 PolarHBondContact O-N 3.49Å; N701-S704 WeakPolarHBondContact CA-OG 3.43Å; N701-S704 PolarHBondContact O-OG 3.06Å
702L54.7Low54.4Low101 Ų101102.7 Ų102.753%0.52954%0.536SS..Hα-helixtrans-76.9-41.2172.3-74.1159.4000111.7L92 C698 M699 D700 K705 G706L92-L702 HydrophobicContact CD2-CD1 3.14Å; C698-L702 WeakPolarHBondContact O-CD1 3.49Å; C698-L702 WeakPolarHBondContact O-CG 3.38Å; C698-L702 PolarHBondContact O-N 3.42Å; C698-L702 VanDerWaalsContact O-N 3.07Å; M699-L702 PolarHBondContact O-N 3.36Å; D700-L702 VanDerWaalsContact C-N 3.33Å; D700-L702 PolarHBondContact O-N 3.23Å; L702-K705 PolarHBondContact O-N 3Å; L702-G706 PolarHBondContact O-N 2.98Å
703A45.2Very low52.5Low48 Ų48106.3 Ų106.340%0.39756%0.564SS.*Hα-helixtrans-71-37.2179.800000112.8M699 D700 K705 G706 N707M699-A703 WeakPolarHBondContact O-CB 3.45Å; M699-A703 PolarHBondContact O-N 3.17Å; D700-A703 PolarHBondContact O-N 2.87Å; A703-K705 PolarHBondContact O-N 2.88Å; A703-G706 WeakPolarHBondContact O-CA 3.48Å; A703-G706 PolarHBondContact O-N 3.32Å; A703-N707 PolarHBondContact O-N 2.93Å
704S47.3Very low50.5Low64 Ų64111.9 Ų111.945%0.44858%0.579SS.*Hα-helixtrans-65.9-24.9175.558.70000113.1D700 N701D700-S704 WeakPolarHBondContact O-CB 3.5Å; D700-S704 PolarHBondContact O-N 3.07Å; D700-S704 PolarHBondContact O-OG 3.32Å; N701-S704 WeakPolarHBondContact CA-OG 3.43Å; N701-S704 PolarHBondContact O-OG 3.06Å
705K45.4Very low48.8Very low128 Ų128116.8 Ų116.856%0.55760%0.602SS**Hα-helixtrans-79.4-22.4169.2-71.6-173.8179.1-164.70113.5L702 A703 V766L702-K705 PolarHBondContact O-N 3Å; A703-K705 PolarHBondContact O-N 2.88Å; K705-V766 HydrophobicContact CD-CG2 3.42Å; K705-V766 VanDerWaalsContact CD-CG2 3.42Å
706G39.8Very low47.2Very low54 Ų54122.9 Ų122.956%0.55764%0.642SS**Hα-helixtrans-79.7-27.9171.600000114.4L702 A703L702-G706 PolarHBondContact O-N 2.98Å; A703-G706 WeakPolarHBondContact O-CA 3.48Å; A703-G706 PolarHBondContact O-N 3.32Å
707N35.5Very low45.4Very low126 Ų126119.7 Ų119.767%0.67465%0.649SS**  trans-99.59.4-169.1-80.7-8.2000116.7A703 K709A703-N707 PolarHBondContact O-N 2.93Å; N707-K709 PolarHBondContact O-N 3Å; N707-K709 VanDerWaalsContact O-N 3.08Å
708N40.6Very low43.3Very low159 Ų159124.6 Ų124.685%0.8567%0.672SS**SBendtrans-80.132.6164.4-85.2-9.5000113.2
709K42.4Very low42.3Very low175 Ų175131 Ų13176%0.76171%0.705SS**SBendtrans-131125.7159.4-102.2-179.8177.51740107N707N707-K709 PolarHBondContact O-N 3Å; N707-K709 VanDerWaalsContact O-N 3.08Å
710L42.5Very low40.9Very low168 Ų168136.3 Ų136.388%0.8873%0.725SS**  trans94.977.1171.2-55.2153.4000115.6
711Q36.9Very low39.7Very low190 Ų190137.5 Ų137.589%0.88875%0.747SS**  -163.885.5129.4-107.6175.927.600110.3
712L32.1Very low38.4Very low162 Ų162142.6 Ų142.685%0.84877%0.765SS**SBendtrans-145.4105.7152.9-94.6113.5000108.7
713S33.3Very low37.6Very low110 Ų110147.7 Ų147.777%0.76978%0.783SS**  trans23.3107.9145.223.50000117.5K715S713-K715 PolarHBondContact O-N 3.26Å
714R33.1Very low37.2Very low253 Ų253150.8 Ų150.896%0.95580%0.801SS**  trans-57119.2162.1-82.8176.3165165.5-5.1110.9
715K32Very low36.9Very low202 Ų202157.1 Ų157.188%0.87882%0.821SS**  trans-130.4140.5137.9-84.4-169.5176.6-178.50108.7S713S713-K715 PolarHBondContact O-N 3.26Å
716P36.5Very low37.1Very low137 Ų137157.6 Ų157.689%0.8983%0.825SS**  trans-93.9133.5-167.727.7-14.8000111.6
717G33.2Very low38Very low71 Ų71159.9 Ų159.973%0.73283%0.828SS**  trans160.6122.2169.800000113.2
718D28.5Very low39.6Very low171 Ų171155.4 Ų155.491%0.91481%0.808SS**  trans81.3102.3166.5-69-18.4000121.4K720D718-K720 PolarHBondContact O-N 2.88Å
719N40Very low41.5Very low163 Ų163150.5 Ų150.587%0.87278%0.78SS**  trans-50.1115.4153-85.3-28.5000112
720K31.8Very low43.4Very low199 Ų199148.2 Ų148.287%0.86577%0.77SS**  trans-165.7117.8137.4-106.1163.6-171.1176.80110.2D718 K722D718-K720 PolarHBondContact O-N 2.88Å; K720-K722 PolarHBondContact O-N 3.27Å
721A41.4Very low45.4Very low110 Ų110140.7 Ų140.791%0.90973%0.73SS**  trans-55.2117.4174.900000111.7
722K34.8Very low47.6Very low204 Ų204134.1 Ų134.189%0.88770%0.703SS**  trans-113.8105.3162.5-88.7-178.8176.2173.70108.9K720 S724K720-K722 PolarHBondContact O-N 3.27Å; K722-S724 PolarHBondContact O-N 3.11Å
723K37.5Very low49.9Very low208 Ų208126.4 Ų126.490%0.90466%0.663SS**  trans-55.9121.9162.9-77.1179.2173.5-1800108.4K725K723-K725 PolarHBondContact O-N 3.12Å
724S36.2Very low52Low113 Ų113122.3 Ų122.379%0.7964%0.636SS**  trans-68108.7173.6570000109.8K722 Q726K722-S724 PolarHBondContact O-N 3.11Å; S724-Q726 PolarHBondContact O-N 2.91Å
725K41.2Very low54.3Low196 Ų196116.6 Ų116.685%0.85261%0.614SS**  trans-65.4111.5167.6-95.7176.5170.7174.80109.1K723K723-K725 PolarHBondContact O-N 3.12Å
726Q49.9Very low56.6Low138 Ų138107.5 Ų107.565%0.64558%0.575SS**  trans-67130.5155.5-73.3178-7.900107.8S724 A728S724-Q726 PolarHBondContact O-N 2.91Å; Q726-A728 PolarHBondContact O-N 3.3Å; Q726-A728 VanDerWaalsContact O-N 3.16Å
727V58.3Low58.6Low103 Ų103104.9 Ų104.962%0.62455%0.55SS*.  trans-81.698.5-167.4-177.60000110.2
728A69.4Low60.8Low32 Ų32109.5 Ų109.526%0.26455%0.552SS.*  trans-63.2132.9168.100000110.6Q726 E759Q726-A728 PolarHBondContact O-N 3.3Å; Q726-A728 VanDerWaalsContact O-N 3.16Å; A728-E759 HydrophobicContact CB-CG 3.89Å
729Q79.9Confident63Low55 Ų55105.8 Ų105.826%0.25753%0.528SS..EExtended strand (participates in β ladder)trans-95.4127.3178.3-66-65.2-2900110Y731 E759 I760 F822Q729-Y731 HydrophobicContact CB-CD2 4.48Å; Q729-Y731 HydrophobicContact CB-CE2 3.76Å; Q729-E759 WeakPolarHBondContact O-CA 3.39Å; Q729-I760 PolarHBondContact N-O 2.59Å; Q729-I760 PolarHBondContact O-N 3.48Å; Q729-F822 HydrophobicContact CB-CZ 3.89Å; Q729-F822 HydrophobicContact CG-CE1 3.96Å; Q729-F822 HydrophobicContact CG-CE2 4.24Å; Q729-F822 HydrophobicContact CG-CZ 3.51Å
730K82.7Confident64.5Low127 Ų12799.5 Ų99.555%0.55250%0.501SS*.EExtended strand (participates in β ladder)trans-107.8125.7-178.7-65.7179.1178.8177.90110.5I757 F758 E759K730-I757 HydrophobicContact CB-CG2 4.28Å; K730-F758 WeakPolarHBondContact CA-O 3.45Å; K730-E759 WeakPolarHBondContact CE-OE1 3.34Å; K730-E759 HydrophobicContact CG-CB 4.2Å; K730-E759 HydrophobicContact CG-CG 4.01Å; K730-E759 IonicContact NZ-OE1 2.79Å
731Y84Confident66.9Low10 Ų1090.3 Ų90.34%0.03946%0.462CS..EExtended strand (participates in β ladder)trans-126.1133.6175.9-64.3-75.4000110.4Q729 L736 I757 F758 I760 L817 K821Q729-Y731 HydrophobicContact CB-CD2 4.48Å; Q729-Y731 HydrophobicContact CB-CE2 3.76Å; Y731-L736 HydrophobicContact CD1-CD2 4.41Å; Y731-L736 HydrophobicContact CD2-CD2 4.3Å; Y731-L736 HydrophobicContact CG-CD2 3.9Å; Y731-L736 HydrophobicContact CG-CG 4.43Å; Y731-I757 CarbonylContact O-C 3.4Å; Y731-I757 WeakPolarHBondContact O-CA 3.49Å; Y731-F758 PolarHBondContact N-O 3.16Å; Y731-F758 PolarHBondContact O-N 3.15Å; Y731-I760 HydrophobicContact CD2-CD1 4.49Å; Y731-L817 HydrophobicContact CD2-CD2 4.49Å; Y731-L817 HydrophobicContact CE2-CD2 4.22Å; Y731-K821 WeakPolarHBondContact OH-CE 3.43Å
732T84.5Confident68.9Low52 Ų5285.2 Ų85.232%0.31942%0.419SS..EExtended strand (participates in β ladder)trans-73.2147.4167.450.10000109.6A734 R735 L736 A756 I757T732-A734 PolarHBondContact O-N 3.49Å; T732-R735 PolarHBondContact O-N 3.43Å; T732-R735 WeakPolarHBondContact OG1-CB 3.38Å; T732-L736 PolarHBondContact O-N 3.29Å; T732-A756 CarbonylContact C-O 3.57Å; T732-A756 WeakPolarHBondContact CA-O 3.33Å; T732-I757 HydrophobicContact CG2-CG1 4.27Å
733A79.8Confident70.9Confident0 Ų079 Ų790%040%0.395CS..Hα-helixtrans-58.3-35.6177.900000111.6R735 L736 K737 L742 I745 Y753 A756 F758A733-R735 VanDerWaalsContact C-N 3.32Å; A733-R735 PolarHBondContact O-N 3.35Å; A733-L736 PolarHBondContact O-N 2.88Å; A733-K737 PolarHBondContact O-N 3.11Å; A733-L742 HydrophobicContact CB-CD2 3.76Å; A733-L742 WeakPolarHBondContact O-CD2 3.19Å; A733-I745 HydrophobicContact CB-CD1 3.95Å; A733-Y753 HydrophobicContact CB-CD2 4.37Å; A733-Y753 HydrophobicContact CB-CG 4.24Å; A733-Y753 WeakPolarHBondContact CB-O 3.38Å; A733-Y753 PolarHBondContact N-O 2.96Å; A733-A756 HydrophobicContact CB-CB 3.73Å; A733-A756 PolarHBondContact N-O 2.98Å; A733-F758 HydrophobicContact CB-CD2 4.34Å; A733-F758 HydrophobicContact CB-CE2 3.8Å
734A78.4Confident72.9Confident24 Ų2471 Ų7120%0.19837%0.365CS..Hα-helixtrans-57.7-43.2173.600000112.4T732 K737 E738 Y753 K754T732-A734 PolarHBondContact O-N 3.49Å; A734-K737 PolarHBondContact O-N 3.44Å; A734-E738 PolarHBondContact O-N 3.38Å; A734-Y753 PolarHBondContact N-O 3.14Å; A734-K754 HydrophobicContact CB-CG 4.33Å
735R79.5Confident75Confident133 Ų13366.4 Ų66.450%0.50233%0.332SS..Hα-helixtrans-74.6-30.4-179.6-167175.9-171.9-177.34.8113T732 A733 K737 K739T732-R735 PolarHBondContact O-N 3.43Å; T732-R735 WeakPolarHBondContact OG1-CB 3.38Å; A733-R735 VanDerWaalsContact C-N 3.32Å; A733-R735 PolarHBondContact O-N 3.35Å; R735-K737 VanDerWaalsContact C-N 3.34Å; R735-K739 WeakPolarHBondContact O-CB 3.33Å; R735-K739 VanDerWaalsContact O-CG 3.32Å; R735-K739 WeakPolarHBondContact O-CG 3.45Å; R735-K739 PolarHBondContact O-N 2.86Å
736L80.4Confident76.6Confident11 Ų1159.8 Ų59.86%0.05831%0.306CS..Hα-helixtrans-70.6-33.1171.7-68.1175.6000111.5Y731 T732 A733 K739 G740 V741 L742 F758 L817Y731-L736 HydrophobicContact CD1-CD2 4.41Å; Y731-L736 HydrophobicContact CD2-CD2 4.3Å; Y731-L736 HydrophobicContact CG-CD2 3.9Å; Y731-L736 HydrophobicContact CG-CG 4.43Å; T732-L736 PolarHBondContact O-N 3.29Å; A733-L736 PolarHBondContact O-N 2.88Å; L736-K739 PolarHBondContact O-N 3.3Å; L736-G740 PolarHBondContact O-N 3.07Å; L736-V741 HydrophobicContact CD2-CB 4.35Å; L736-V741 HydrophobicContact CD2-CG1 4.4Å; L736-V741 PolarHBondContact O-N 3.24Å; L736-L742 HydrophobicContact CB-CB 3.69Å; L736-L742 HydrophobicContact CB-CD2 4.5Å; L736-L742 PolarHBondContact O-N 2.94Å; L736-L742 VanDerWaalsContact O-N 3.11Å; L736-F758 HydrophobicContact CD1-CB 4.02Å; L736-F758 HydrophobicContact CD1-CD2 3.62Å; L736-F758 HydrophobicContact CD1-CE2 4.34Å; L736-F758 HydrophobicContact CD1-CG 3.99Å; L736-L817 HydrophobicContact CD2-CD2 3.86Å
737K79.4Confident77.5Confident83 Ų8360.2 Ų60.236%0.36131%0.313SS..Hα-helixtrans-68.4-46.1174.4-164.1-176.1-162.6172.70112.3A733 A734 R735 K739 G740 L742 Y753A733-K737 PolarHBondContact O-N 3.11Å; A734-K737 PolarHBondContact O-N 3.44Å; R735-K737 VanDerWaalsContact C-N 3.34Å; K737-K739 PolarHBondContact O-N 3.35Å; K737-G740 PolarHBondContact O-N 2.91Å; K737-L742 WeakPolarHBondContact CA-O 3.25Å; K737-Y753 HydrophobicContact CB-CD2 4.42Å; K737-Y753 HydrophobicContact CD-CD2 3.93Å; K737-Y753 HydrophobicContact CD-CE2 3.7Å
738E78.6Confident78.3Confident168 Ų16857.3 Ų57.379%0.78529%0.293SS*.Hα-helixtrans-58.6-31174.1-76.2174.2-179.400112.9A734 G740A734-E738 PolarHBondContact O-N 3.38Å; E738-G740 VanDerWaalsContact C-N 3.3Å
739K75Confident78.5Confident93 Ų9362.1 Ų62.140%0.40431%0.31SS..THydrogen-bonded Turntrans-84.60.2176.6-72.9-178.1169.3-134.80114.1R735 L736 K737 V741R735-K739 WeakPolarHBondContact O-CB 3.33Å; R735-K739 VanDerWaalsContact O-CG 3.32Å; R735-K739 WeakPolarHBondContact O-CG 3.45Å; R735-K739 PolarHBondContact O-N 2.86Å; L736-K739 PolarHBondContact O-N 3.3Å; K737-K739 PolarHBondContact O-N 3.35Å; K739-V741 HydrophobicContact CB-CG2 4.17Å; K739-V741 PolarHBondContact O-N 3.44Å
740G71.9Confident77.9Confident30 Ų3062.7 Ų62.731%0.30932%0.319SS..THydrogen-bonded Turntrans70.90.7-176.700000115.2L736 K737 E738 N810 L813L736-G740 PolarHBondContact O-N 3.07Å; K737-G740 PolarHBondContact O-N 2.91Å; E738-G740 VanDerWaalsContact C-N 3.3Å; G740-N810 WeakPolarHBondContact O-CB 3.5Å; G740-L813 VanDerWaalsContact O-CD1 3.3Å; G740-L813 WeakPolarHBondContact O-CD1 3.41Å
741V82.3Confident77.3Confident6 Ų663.8 Ų63.84%0.03633%0.331CS..SBendtrans-72.7-37-179.9-179.40000110.8L736 K739 V809 N810 L813 L814 L817L736-V741 HydrophobicContact CD2-CB 4.35Å; L736-V741 HydrophobicContact CD2-CG1 4.4Å; L736-V741 PolarHBondContact O-N 3.24Å; K739-V741 HydrophobicContact CB-CG2 4.17Å; K739-V741 PolarHBondContact O-N 3.44Å; V741-V809 CarbonylContact O-C 3.57Å; V741-V809 WeakPolarHBondContact O-CA 3.46Å; V741-V809 VanDerWaalsContact O-CB 3.27Å; V741-V809 WeakPolarHBondContact O-CB 3.39Å; V741-N810 PolarHBondContact O-N 3.44Å; V741-L813 HydrophobicContact CG2-CB 3.95Å; V741-L814 HydrophobicContact CG1-CB 4Å; V741-L814 HydrophobicContact CG1-CD1 3.81Å; V741-L817 HydrophobicContact CG1-CD2 4.45Å; V741-L817 HydrophobicContact CG2-CB 4.43Å; V741-L817 HydrophobicContact CG2-CD2 4.38Å
742L82.4Confident76.7Confident3 Ų367.4 Ų67.42%0.01635%0.348CS..EExtended strand (participates in β ladder)trans-106.3125.9176.1-179.674000110A733 L736 K737 I745 Y753 F758 A807 V809A733-L742 HydrophobicContact CB-CD2 3.76Å; A733-L742 WeakPolarHBondContact O-CD2 3.19Å; L736-L742 HydrophobicContact CB-CB 3.69Å; L736-L742 HydrophobicContact CB-CD2 4.5Å; L736-L742 PolarHBondContact O-N 2.94Å; L736-L742 VanDerWaalsContact O-N 3.11Å; K737-L742 WeakPolarHBondContact CA-O 3.25Å; L742-I745 HydrophobicContact CD1-CD1 4.43Å; L742-I745 HydrophobicContact CD1-CG1 3.92Å; L742-I745 HydrophobicContact CD2-CD1 3.83Å; L742-I745 HydrophobicContact CD2-CG1 3.96Å; L742-I745 HydrophobicContact CG-CG1 4.37Å; L742-Y753 HydrophobicContact CD2-CD2 4.34Å; L742-Y753 HydrophobicContact CD2-CE2 4.15Å; L742-F758 HydrophobicContact CD2-CE2 4.49Å; L742-A807 HydrophobicContact CD1-CB 4.07Å; L742-V809 HydrophobicContact CD1-CG1 3.8Å
743I78.1Confident76.4Confident73 Ų7365.3 Ų65.337%0.37433%0.334SS..EExtended strand (participates in β ladder)trans-93-58.2-178.6-60.3172.8000109.6V800 T808 N810I743-V800 HydrophobicContact CD1-CB 4.4Å; I743-V800 HydrophobicContact CD1-CG1 3.89Å; I743-V800 HydrophobicContact CD1-CG2 3.61Å; I743-T808 HydrophobicContact CB-CG2 4.22Å; I743-T808 WeakPolarHBondContact CB-O 3.44Å; I743-T808 HydrophobicContact CD1-CG2 4.31Å; I743-T808 PolarHBondContact N-O 3.21Å; I743-N810 HydrophobicContact CD1-CB 4.28Å
744S78.6Confident76Confident40 Ų4073 Ų7328%0.2837%0.367SS..EExtended strand (participates in β ladder)trans-148.6159.417959.30000111.5A807 T808S744-A807 CarbonylContact O-C 3.55Å; S744-T808 PolarHBondContact N-O 3.47Å; S744-T808 PolarHBondContact O-N 3.45Å
745I80.9Confident76Confident17 Ų1775.4 Ų75.49%0.08738%0.377CS..EExtended strand (participates in β ladder)trans-123.6123.9165.8-56.6174.3000106.4A733 L742 L748 Y753 F758 K806 A807A733-I745 HydrophobicContact CB-CD1 3.95Å; L742-I745 HydrophobicContact CD1-CD1 4.43Å; L742-I745 HydrophobicContact CD1-CG1 3.92Å; L742-I745 HydrophobicContact CD2-CD1 3.83Å; L742-I745 HydrophobicContact CD2-CG1 3.96Å; L742-I745 HydrophobicContact CG-CG1 4.37Å; I745-L748 HydrophobicContact CB-CB 4.3Å; I745-L748 HydrophobicContact CB-CD1 4.36Å; I745-L748 HydrophobicContact CG2-CB 4.3Å; I745-L748 HydrophobicContact CG2-CD1 3.64Å; I745-L748 PolarHBondContact O-N 3.38Å; I745-Y753 HydrophobicContact CB-CE1 4.31Å; I745-Y753 HydrophobicContact CD1-CE1 4.42Å; I745-Y753 HydrophobicContact CG1-CE1 4.48Å; I745-Y753 PolarHBondContact N-OH 3.39Å; I745-F758 HydrophobicContact CD1-CE2 4.17Å; I745-F758 HydrophobicContact CD1-CZ 4.09Å; I745-K806 CarbonylContact C-O 3.52Å; I745-K806 WeakPolarHBondContact CA-O 3.25Å; I745-A807 HydrophobicContact CG1-CB 4.14Å
746D74.1Confident76.1Confident58 Ų5869.5 Ų69.531%0.3136%0.357SS..THydrogen-bonded Turntrans-60.7137.1176.1-61.6-18.2000108.5L748 K802 K806D746-L748 PolarHBondContact O-N 3.18Å; D746-K802 IonicContact OD2-NZ 2.78Å; D746-K802 PolarHBondContact OD2-NZ 2.9Å; D746-K802 VanDerWaalsContact OD2-NZ 3.08Å; D746-K806 HydrophobicContact CB-CB 4.36Å; D746-K806 PolarHBondContact N-O 2.86Å
747D69.8Low76.3Confident147 Ų14772 Ų7279%0.78637%0.369SS*.THydrogen-bonded Turntrans69.78.3-177.8-49.3-39.7000118.1
748L75.1Confident76.5Confident41 Ų4168.8 Ų68.822%0.21536%0.356CS..  trans-125.3129.9178.9-84.5151000112.6I745 D746 Q752 Y753 F775I745-L748 HydrophobicContact CB-CB 4.3Å; I745-L748 HydrophobicContact CB-CD1 4.36Å; I745-L748 HydrophobicContact CG2-CB 4.3Å; I745-L748 HydrophobicContact CG2-CD1 3.64Å; I745-L748 PolarHBondContact O-N 3.38Å; D746-L748 PolarHBondContact O-N 3.18Å; L748-Q752 HydrophobicContact CD2-CB 3.75Å; L748-Y753 HydrophobicContact CB-CD1 4.42Å; L748-Y753 HydrophobicContact CB-CE1 3.98Å; L748-F775 HydrophobicContact CD2-CD2 4.38Å; L748-F775 HydrophobicContact CD2-CE2 3.49Å; L748-F775 VanDerWaalsContact CD2-CE2 3.49Å; L748-F775 HydrophobicContact CD2-CZ 3.76Å
749Q72.3Confident76.8Confident133 Ų13362.2 Ų62.262%0.62133%0.325SS*.  trans-77.9148.8174.5-69.8-66.9-2900111.1N751 Q752 Y753Q749-N751 PolarHBondContact O-N 3.32Å; Q749-Q752 WeakPolarHBondContact O-CB 3.45Å; Q749-Q752 PolarHBondContact O-N 3.43Å; Q749-Y753 WeakPolarHBondContact O-CD1 3.25Å
750P68.3Low77.3Confident67 Ų6758.1 Ų58.144%0.43531%0.307SS..G310 helixtrans-53.2-29.4-177.6-27.634.5000114.8Q752 Y753P750-Q752 VanDerWaalsContact C-N 3.26Å; P750-Q752 PolarHBondContact O-N 2.78Å; P750-Y753 WeakPolarHBondContact O-CB 3.44Å; P750-Y753 PolarHBondContact O-N 3.24Å
751N70.7Confident77.6Confident151 Ų15157.9 Ų57.981%0.80730%0.301SS*.G310 helixtrans-68.5-23.3178-66.5-8.4000113.1Q749Q749-N751 PolarHBondContact O-N 3.32Å
752Q71.7Confident77.3Confident85 Ų8559.6 Ų59.640%0.39731%0.312SS..G310 helixtrans-89.6-5.4-179.5-64.8171.7-2900112.8L748 Q749 P750 K754 N755L748-Q752 HydrophobicContact CD2-CB 3.75Å; Q749-Q752 WeakPolarHBondContact O-CB 3.45Å; Q749-Q752 PolarHBondContact O-N 3.43Å; P750-Q752 VanDerWaalsContact C-N 3.26Å; P750-Q752 PolarHBondContact O-N 2.78Å; Q752-K754 PolarHBondContact O-N 2.96Å; Q752-K754 VanDerWaalsContact O-N 3.13Å; Q752-N755 WeakPolarHBondContact O-CB 3.33Å; Q752-N755 PolarHBondContact O-N 2.86Å
753Y76.4Confident76.8Confident8 Ų861.1 Ų61.13%0.03132%0.323CS..THydrogen-bonded Turntrans-67-15-178.6-76.120.9000113.5A733 A734 K737 L742 I745 L748 Q749 P750 N755A733-Y753 HydrophobicContact CB-CD2 4.37Å; A733-Y753 HydrophobicContact CB-CG 4.24Å; A733-Y753 WeakPolarHBondContact CB-O 3.38Å; A733-Y753 PolarHBondContact N-O 2.96Å; A734-Y753 PolarHBondContact N-O 3.14Å; K737-Y753 HydrophobicContact CB-CD2 4.42Å; K737-Y753 HydrophobicContact CD-CD2 3.93Å; K737-Y753 HydrophobicContact CD-CE2 3.7Å; L742-Y753 HydrophobicContact CD2-CD2 4.34Å; L742-Y753 HydrophobicContact CD2-CE2 4.15Å; I745-Y753 HydrophobicContact CB-CE1 4.31Å; I745-Y753 HydrophobicContact CD1-CE1 4.42Å; I745-Y753 HydrophobicContact CG1-CE1 4.48Å; I745-Y753 PolarHBondContact N-OH 3.39Å; L748-Y753 HydrophobicContact CB-CD1 4.42Å; L748-Y753 HydrophobicContact CB-CE1 3.98Å; Q749-Y753 WeakPolarHBondContact O-CD1 3.25Å; P750-Y753 WeakPolarHBondContact O-CB 3.44Å; P750-Y753 PolarHBondContact O-N 3.24Å; Y753-N755 PolarHBondContact O-N 3.36Å
754K73.2Confident75.9Confident161 Ų16167.3 Ų67.370%0.735%0.35SS*.THydrogen-bonded Turntrans-70-23172.1-65.5-177.4-179.5178.60112.5A734 Q752A734-K754 HydrophobicContact CB-CG 4.33Å; Q752-K754 PolarHBondContact O-N 2.96Å; Q752-K754 VanDerWaalsContact O-N 3.13Å
755N77.8Confident74.7Confident76 Ų7669.3 Ų69.341%0.40636%0.361SS..SBendtrans-93.7-7.5-176.1-61-18.3000113.2Q752 Y753 F775 M776Q752-N755 WeakPolarHBondContact O-CB 3.33Å; Q752-N755 PolarHBondContact O-N 2.86Å; Y753-N755 PolarHBondContact O-N 3.36Å; N755-F775 HydrophobicContact CB-CD2 4.3Å; N755-F775 HydrophobicContact CB-CE2 3.82Å; N755-F775 HydrophobicContact CB-CZ 4.23Å; N755-F775 WeakPolarHBondContact O-CA 3.35Å; N755-M776 HydrophobicContact CB-CG 3.99Å; N755-M776 PolarHBondContact O-N 3.28Å
756A81.3Confident73.5Confident8 Ų873.1 Ų73.17%0.06639%0.385CS..EExtended strand (participates in β ladder)trans-100.3128.5176.100000110.9T732 A733 K774 F775T732-A756 CarbonylContact C-O 3.57Å; T732-A756 WeakPolarHBondContact CA-O 3.33Å; A733-A756 HydrophobicContact CB-CB 3.73Å; A733-A756 PolarHBondContact N-O 2.98Å; A756-K774 CarbonylContact C-O 3.34Å; A756-K774 WeakPolarHBondContact CA-O 3.44Å; A756-F775 HydrophobicContact CB-CD2 3.98Å
757I84.5Confident72.6Confident63 Ų6371.4 Ų71.432%0.32338%0.38SS..EExtended strand (participates in β ladder)trans-125.1127179.8-58.1175.3000109K730 Y731 T732 K774K730-I757 HydrophobicContact CB-CG2 4.28Å; Y731-I757 CarbonylContact O-C 3.4Å; Y731-I757 WeakPolarHBondContact O-CA 3.49Å; T732-I757 HydrophobicContact CG2-CG1 4.27Å; I757-K774 HydrophobicContact CB-CB 4.46Å; I757-K774 PolarHBondContact N-O 3.11Å; I757-K774 PolarHBondContact O-N 2.89Å
758F84Confident72.8Confident17 Ų1765.3 Ų65.38%0.07535%0.349CS..EExtended strand (participates in β ladder)trans-100.3122.6169.7-63.9-91.6000109.1K730 Y731 A733 L736 L742 I745 V771 K772 A773 F804 A807K730-F758 WeakPolarHBondContact CA-O 3.45Å; Y731-F758 PolarHBondContact N-O 3.16Å; Y731-F758 PolarHBondContact O-N 3.15Å; A733-F758 HydrophobicContact CB-CD2 4.34Å; A733-F758 HydrophobicContact CB-CE2 3.8Å; L736-F758 HydrophobicContact CD1-CB 4.02Å; L736-F758 HydrophobicContact CD1-CD2 3.62Å; L736-F758 HydrophobicContact CD1-CE2 4.34Å; L736-F758 HydrophobicContact CD1-CG 3.99Å; L742-F758 HydrophobicContact CD2-CE2 4.49Å; I745-F758 HydrophobicContact CD1-CE2 4.17Å; I745-F758 HydrophobicContact CD1-CZ 4.09Å; F758-V771 HydrophobicContact CD1-CG1 4.17Å; F758-K772 CarbonylContact C-O 3.59Å; F758-K772 WeakPolarHBondContact CA-O 3.35Å; F758-A773 HydrophobicContact CD1-CB 4.27Å; F758-A773 HydrophobicContact CE1-CB 4.15Å; F758-F804 AromaticContact CD1-CE2 3.81Å; F758-F804 HydrophobicContact CD1-CE2 3.81Å; F758-F804 AromaticContact CE1-CD2 3.99Å; F758-F804 HydrophobicContact CE1-CD2 3.99Å; F758-F804 AromaticContact CE1-CE2 3.55Å; F758-F804 HydrophobicContact CE1-CE2 3.55Å; F758-A807 HydrophobicContact CZ-CB 4.3Å
759E84.8Confident73Confident29 Ų2963.6 Ų63.614%0.13634%0.339CS..EExtended strand (participates in β ladder)trans-107.9111.8176.3179.8167.3-153.300108.5A728 Q729 K730 K772 K774A728-E759 HydrophobicContact CB-CG 3.89Å; Q729-E759 WeakPolarHBondContact O-CA 3.39Å; K730-E759 WeakPolarHBondContact CE-OE1 3.34Å; K730-E759 HydrophobicContact CG-CB 4.2Å; K730-E759 HydrophobicContact CG-CG 4.01Å; K730-E759 IonicContact NZ-OE1 2.79Å; E759-K772 HydrophobicContact CB-CB 4.3Å; E759-K772 PolarHBondContact N-O 3.35Å; E759-K772 PolarHBondContact O-N 3.07Å; E759-K774 IonicContact OE2-NZ 3.42Å; E759-K774 PolarHBondContact OE2-NZ 3.27Å
760I84.3Confident73.4Confident7 Ų758.7 Ų58.74%0.03632%0.317CS..EExtended strand (participates in β ladder)trans-103.5120.9-178.9-55.6173.8000108.1Q729 Y731 F769 D770 V771 L818 F822Q729-I760 PolarHBondContact N-O 2.59Å; Q729-I760 PolarHBondContact O-N 3.48Å; Y731-I760 HydrophobicContact CD2-CD1 4.49Å; I760-F769 HydrophobicContact CG2-CB 4.21Å; I760-F769 HydrophobicContact CG2-CD1 4.19Å; I760-D770 WeakPolarHBondContact CA-O 3.26Å; I760-V771 HydrophobicContact CG1-CG1 4.15Å; I760-V771 HydrophobicContact CG1-CG2 4.23Å; I760-L818 HydrophobicContact CG2-CD2 3.97Å; I760-F822 HydrophobicContact CB-CE2 4.5Å; I760-F822 HydrophobicContact CB-CZ 4.39Å; I760-F822 HydrophobicContact CG2-CE2 3.92Å; I760-F822 HydrophobicContact CG2-CZ 4.05Å
761S79.8Confident74.2Confident25 Ų2555.8 Ų55.818%0.17530%0.298CS..EExtended strand (participates in β ladder)trans-127141.6174.7480000111.3F769 D770S761-F769 CarbonylContact O-C 3.56Å; S761-F769 WeakPolarHBondContact O-CA 3.23Å; S761-D770 PolarHBondContact N-O 3.19Å; S761-D770 PolarHBondContact O-N 3.39Å; S761-D770 PolarHBondContact OG-O 2.99Å
762P74.8Confident74.9Confident42 Ų4252 Ų5227%0.27328%0.275SS..EExtended strand (participates in β ladder)trans-64.8137.5169.828.1-32.4000109.9F769P762-F769 HydrophobicContact CB-CD1 4.45Å; P762-F769 HydrophobicContact CB-CE1 4.41Å
763S72.2Confident75.4Confident35 Ų3548.4 Ų48.425%0.24526%0.26CS..  trans-83.9176.4176-159.20000111.6T765 V768 D770S763-T765 PolarHBondContact O-N 3.23Å; S763-V768 WeakPolarHBondContact CB-O 3.48Å; S763-V768 PolarHBondContact N-O 3.34Å; S763-D770 PolarHBondContact OG-OD2 3.25Å
764E58.6Low75.7Confident203 Ų20350.9 Ų50.995%0.94927%0.271SS*.SBendtrans-66.9-26.4175.2-66.8-172170.900111.9
765T54.5Low75.8Confident82 Ų8245.8 Ų45.850%0.50325%0.249SC..SBendtrans-84.9132.1173.7490000111.6S763 G767 V768S763-T765 PolarHBondContact O-N 3.23Å; T765-G767 PolarHBondContact O-N 2.97Å; T765-V768 PolarHBondContact O-N 3.31Å; T765-V768 VanDerWaalsContact OG1-CB 3.29Å; T765-V768 WeakPolarHBondContact OG1-CB 3.33Å; T765-V768 VanDerWaalsContact OG1-CG2 3.23Å; T765-V768 WeakPolarHBondContact OG1-CG2 3.25Å
766V54.8Low75.5Confident98 Ų9848.9 Ų48.959%0.59426%0.263SS*.THydrogen-bonded Turntrans-64.1124.5179.5171.10000110.5K705K705-V766 HydrophobicContact CD-CG2 3.42Å; K705-V766 VanDerWaalsContact CD-CG2 3.42Å
767G56.2Low74.7Confident21 Ų2151.9 Ų51.922%0.21629%0.294CS..THydrogen-bonded Turntrans88.45.417800000114T765 Y787T765-G767 PolarHBondContact O-N 2.97Å; G767-Y787 WeakPolarHBondContact O-CB 3.38Å; G767-Y787 PolarHBondContact O-N 2.96Å
768V73.6Confident74.2Confident20 Ų2053.6 Ų53.612%0.12131%0.307CS..EExtended strand (participates in β ladder)trans-111.1134.6173.1-173.40000110S763 T765 L785 E786S763-V768 WeakPolarHBondContact CB-O 3.48Å; S763-V768 PolarHBondContact N-O 3.34Å; T765-V768 PolarHBondContact O-N 3.31Å; T765-V768 VanDerWaalsContact OG1-CB 3.29Å; T765-V768 WeakPolarHBondContact OG1-CB 3.33Å; T765-V768 VanDerWaalsContact OG1-CG2 3.23Å; T765-V768 WeakPolarHBondContact OG1-CG2 3.25Å; V768-L785 WeakPolarHBondContact CA-O 3.44Å; V768-E786 HydrophobicContact CG1-CG 4.5Å; V768-E786 HydrophobicContact CG2-CG 4.11Å
769F78.6Confident73.8Confident4 Ų457 Ų572%0.01832%0.323CS..EExtended strand (participates in β ladder)trans-118.2127.1178.6-65.4-85.1000110.4I760 S761 P762 V771 L785 Y787 L818 F822 Y823I760-F769 HydrophobicContact CG2-CB 4.21Å; I760-F769 HydrophobicContact CG2-CD1 4.19Å; S761-F769 CarbonylContact O-C 3.56Å; S761-F769 WeakPolarHBondContact O-CA 3.23Å; P762-F769 HydrophobicContact CB-CD1 4.45Å; P762-F769 HydrophobicContact CB-CE1 4.41Å; F769-V771 PolarHBondContact O-N 3.33Å; F769-L785 HydrophobicContact CB-CB 4.44Å; F769-L785 PolarHBondContact N-O 3.3Å; F769-L785 WeakPolarHBondContact O-CB 3.4Å; F769-L785 PolarHBondContact O-N 3.11Å; F769-Y787 HydrophobicContact CE2-CD2 4.04Å; F769-Y787 HydrophobicContact CE2-CG 4.37Å; F769-L818 HydrophobicContact CD1-CD2 4.17Å; F769-L818 HydrophobicContact CD2-CD1 4.12Å; F769-L818 HydrophobicContact CD2-CD2 4.35Å; F769-L818 HydrophobicContact CE1-CD2 4.23Å; F769-L818 HydrophobicContact CE2-CD1 4.16Å; F769-L818 HydrophobicContact CE2-CD2 4.4Å; F769-L818 HydrophobicContact CG-CD2 4.23Å; F769-L818 HydrophobicContact CZ-CD2 4.34Å; F769-F822 HydrophobicContact CD1-CD2 4.45Å; F769-F822 HydrophobicContact CE1-CB 3.91Å; F769-F822 HydrophobicContact CE1-CD1 4.27Å; F769-F822 AromaticContact CE1-CD2 3.81Å; F769-F822 HydrophobicContact CE1-CD2 3.81Å; F769-F822 HydrophobicContact CE1-CE2 4.38Å; F769-F822 AromaticContact CE1-CG 3.74Å; F769-F822 HydrophobicContact CE1-CG 3.74Å; F769-F822 HydrophobicContact CZ-CB 4.2Å; F769-F822 HydrophobicContact CZ-CD2 4.49Å; F769-F822 HydrophobicContact CZ-CG 4.45Å; F769-Y823 HydrophobicContact CE2-CE2 4.07Å; F769-Y823 AromaticContact CZ-CE2 3.6Å; F769-Y823 HydrophobicContact CZ-CE2 3.6Å; F769-Y823 AromaticContact CZ-CZ 3.89Å
770D81.9Confident73.3Confident30 Ų3061.1 Ų61.116%0.1635%0.346CS..EExtended strand (participates in β ladder)trans-84.6114.5171.3-64.4-37.2000109.1I760 S761 S763 T782 S784I760-D770 WeakPolarHBondContact CA-O 3.26Å; S761-D770 PolarHBondContact N-O 3.19Å; S761-D770 PolarHBondContact O-N 3.39Å; S761-D770 PolarHBondContact OG-O 2.99Å; S763-D770 PolarHBondContact OG-OD2 3.25Å; D770-T782 HydrophobicContact CB-CG2 4.3Å; D770-S784 PolarHBondContact OD1-OG 2.65Å
771V85.6Confident72.9Confident6 Ų665.5 Ų65.54%0.03637%0.366CS..EExtended strand (participates in β ladder)trans-100.6117175-171.40000108.1F758 I760 F769 T782 V783 L785 L803 F804F758-V771 HydrophobicContact CD1-CG1 4.17Å; I760-V771 HydrophobicContact CG1-CG1 4.15Å; I760-V771 HydrophobicContact CG1-CG2 4.23Å; F769-V771 PolarHBondContact O-N 3.33Å; V771-T782 WeakPolarHBondContact O-CA 3.5Å; V771-V783 PolarHBondContact N-O 3.49Å; V771-V783 PolarHBondContact O-N 3.31Å; V771-L785 HydrophobicContact CG2-CB 4.09Å; V771-L785 HydrophobicContact CG2-CD2 4.15Å; V771-L803 HydrophobicContact CB-CD2 4.09Å; V771-L803 HydrophobicContact CG1-CD2 3.85Å; V771-L803 HydrophobicContact CG2-CD2 4.42Å; V771-F804 HydrophobicContact CB-CZ 4.17Å; V771-F804 HydrophobicContact CG1-CE2 4.08Å; V771-F804 HydrophobicContact CG1-CZ 3.88Å; V771-F804 VanDerWaalsContact O-CZ 3.29Å; V771-F804 WeakPolarHBondContact O-CZ 3.45Å
772K84.9Confident73Confident71 Ų7167 Ų6731%0.30937%0.374SS..EExtended strand (participates in β ladder)trans-107.8123.6178.1-51.5-166170.4176.40110.4F758 E759 E781 T782F758-K772 CarbonylContact C-O 3.59Å; F758-K772 WeakPolarHBondContact CA-O 3.35Å; E759-K772 HydrophobicContact CB-CB 4.3Å; E759-K772 PolarHBondContact N-O 3.35Å; E759-K772 PolarHBondContact O-N 3.07Å; K772-E781 WeakPolarHBondContact CA-O 3.41Å; K772-T782 HydrophobicContact CD-CG2 4.49Å; K772-T782 HydrophobicContact CG-CG2 3.95Å; K772-T782 WeakPolarHBondContact CG-OG1 3.49Å
773A82.6Confident73.3Confident10 Ų1067 Ų678%0.08337%0.373CS..EExtended strand (participates in β ladder)trans-93129.7173.100000110.5F758 L780 E781 F804F758-A773 HydrophobicContact CD1-CB 4.27Å; F758-A773 HydrophobicContact CE1-CB 4.15Å; A773-L780 HydrophobicContact CB-CB 4.46Å; A773-L780 PolarHBondContact O-N 3.34Å; A773-E781 PolarHBondContact N-O 3.34Å; A773-F804 HydrophobicContact CB-CD2 4.36Å; A773-F804 HydrophobicContact CB-CE1 4.21Å; A773-F804 HydrophobicContact CB-CE2 3.9Å; A773-F804 HydrophobicContact CB-CZ 3.83Å
774K81.1Confident73.6Confident60 Ų6068.9 Ų68.926%0.26139%0.386SS..EExtended strand (participates in β ladder)trans-123.9131.8173.8-72.2173.3178.2164.40109.9A756 I757 E759 V778A756-K774 CarbonylContact C-O 3.34Å; A756-K774 WeakPolarHBondContact CA-O 3.44Å; I757-K774 HydrophobicContact CB-CB 4.46Å; I757-K774 PolarHBondContact N-O 3.11Å; I757-K774 PolarHBondContact O-N 2.89Å; E759-K774 IonicContact OE2-NZ 3.42Å; E759-K774 PolarHBondContact OE2-NZ 3.27Å; K774-V778 CarbonylContact C-O 3.53Å; K774-V778 VanDerWaalsContact CA-O 3.25Å; K774-V778 WeakPolarHBondContact CA-O 3.46Å
775F77Confident74.6Confident54 Ų5459.7 Ų59.724%0.23734%0.344CS..EExtended strand (participates in β ladder)trans-122.2124.8174.3-172.5-102.4000109.7L748 N755 A756 G777 V778 L780L748-F775 HydrophobicContact CD2-CD2 4.38Å; L748-F775 HydrophobicContact CD2-CE2 3.49Å; L748-F775 VanDerWaalsContact CD2-CE2 3.49Å; L748-F775 HydrophobicContact CD2-CZ 3.76Å; N755-F775 HydrophobicContact CB-CD2 4.3Å; N755-F775 HydrophobicContact CB-CE2 3.82Å; N755-F775 HydrophobicContact CB-CZ 4.23Å; N755-F775 WeakPolarHBondContact O-CA 3.35Å; A756-F775 HydrophobicContact CB-CD2 3.98Å; F775-G777 PolarHBondContact O-N 3.01Å; F775-G777 VanDerWaalsContact O-N 3.08Å; F775-V778 PolarHBondContact N-O 3.36Å; F775-V778 PolarHBondContact O-N 3.43Å; F775-L780 HydrophobicContact CB-CD1 3.55Å; F775-L780 HydrophobicContact CB-CG 4.16Å
776M71.4Confident75.7Confident142 Ų14259.6 Ų59.670%0.734%0.338SS*.THydrogen-bonded Turntrans50.533.8-175.9-62.2-173.667.800114.2N755 V778N755-M776 HydrophobicContact CB-CG 3.99Å; N755-M776 PolarHBondContact O-N 3.28Å; M776-V778 VanDerWaalsContact C-N 3.3Å; M776-V778 PolarHBondContact O-N 3.14Å
777G63.5Low76.5Confident71 Ų7156.7 Ų56.773%0.73232%0.316SS*.THydrogen-bonded Turntrans85.4-10-179.700000115.2F775F775-G777 PolarHBondContact O-N 3.01Å; F775-G777 VanDerWaalsContact O-N 3.08Å
778V74.5Confident76.7Confident99 Ų9959.6 Ų59.660%0.632%0.324SS*.EExtended strand (participates in β ladder)trans-86.8132174.7-175.80000109.6K774 F775 M776 L780K774-V778 CarbonylContact C-O 3.53Å; K774-V778 VanDerWaalsContact CA-O 3.25Å; K774-V778 WeakPolarHBondContact CA-O 3.46Å; F775-V778 PolarHBondContact N-O 3.36Å; F775-V778 PolarHBondContact O-N 3.43Å; M776-V778 VanDerWaalsContact C-N 3.3Å; M776-V778 PolarHBondContact O-N 3.14Å; V778-L780 PolarHBondContact O-N 2.74Å
779H74.9Confident76.6Confident88 Ų8862.2 Ų62.241%0.40734%0.337SS..EExtended strand (participates in β ladder)trans-72.5120173.6-178.7-78.2000109.6T782H779-T782 PolarHBondContact CE1-OG1 3.05Å; H779-T782 VanDerWaalsContact CE1-OG1 3.27Å; H779-T782 PolarHBondContact NE2-OG1 3.33Å
780L75Confident76.1Confident116 Ų11662 Ų6261%0.60734%0.337SS*.EExtended strand (participates in β ladder)trans-86.1-65.9177.4-71.8168.6000109.6A773 F775 V778A773-L780 HydrophobicContact CB-CB 4.46Å; A773-L780 PolarHBondContact O-N 3.34Å; F775-L780 HydrophobicContact CB-CD1 3.55Å; F775-L780 HydrophobicContact CB-CG 4.16Å; V778-L780 PolarHBondContact O-N 2.74Å
781E76.3Confident74.9Confident98 Ų9863.9 Ų63.946%0.45835%0.346SS..EExtended strand (participates in β ladder)trans-154.7151.7-168.5-164.7168.8-163.400111K772 A773 F804K772-E781 WeakPolarHBondContact CA-O 3.41Å; A773-E781 PolarHBondContact N-O 3.34Å; E781-F804 HydrophobicContact CB-CD1 3.73Å; E781-F804 HydrophobicContact CB-CE1 4.04Å; E781-F804 HydrophobicContact CG-CD1 3.82Å; E781-F804 HydrophobicContact CG-CE1 4.27Å; E781-F804 WeakPolarHBondContact O-CE1 3.5Å
782T80.5Confident73.3Confident58 Ų5868.3 Ų68.336%0.35637%0.366SS..EExtended strand (participates in β ladder)trans-119125.2171.7-64.50000107.9D770 V771 K772 H779D770-T782 HydrophobicContact CB-CG2 4.3Å; V771-T782 WeakPolarHBondContact O-CA 3.5Å; K772-T782 HydrophobicContact CD-CG2 4.49Å; K772-T782 HydrophobicContact CG-CG2 3.95Å; K772-T782 WeakPolarHBondContact CG-OG1 3.49Å; H779-T782 PolarHBondContact CE1-OG1 3.05Å; H779-T782 VanDerWaalsContact CE1-OG1 3.27Å; H779-T782 PolarHBondContact NE2-OG1 3.33Å
783V81.9Confident72.5Confident40 Ų4066.8 Ų66.824%0.24236%0.361CS..EExtended strand (participates in β ladder)trans-117.6130.9173.71690000108.2V771 F804V771-V783 PolarHBondContact N-O 3.49Å; V771-V783 PolarHBondContact O-N 3.31Å; V783-F804 HydrophobicContact CB-CD1 4.05Å; V783-F804 HydrophobicContact CB-CE1 3.71Å; V783-F804 HydrophobicContact CB-CZ 4.28Å; V783-F804 HydrophobicContact CG2-CD1 3.28Å; V783-F804 HydrophobicContact CG2-CE1 3.43Å; V783-F804 VanDerWaalsContact CG2-CE1 3.43Å; V783-F804 HydrophobicContact CG2-CG 4.16Å; V783-F804 HydrophobicContact CG2-CZ 4.39Å
784S78.8Confident71.1Confident75 Ų7570.2 Ų70.252%0.52438%0.376SS..EExtended strand (participates in β ladder)trans-82.9123.8170.3-61.40000108.6D770D770-S784 PolarHBondContact OD1-OG 2.65Å
785L79.4Confident69.4Low11 Ų1175.7 Ų75.76%0.05840%0.396CS..EExtended strand (participates in β ladder)trans-110.5110.8-175.7-173.773.5000108.8V768 F769 V771 L790 M801 L803 L814 L818V768-L785 WeakPolarHBondContact CA-O 3.44Å; F769-L785 HydrophobicContact CB-CB 4.44Å; F769-L785 PolarHBondContact N-O 3.3Å; F769-L785 WeakPolarHBondContact O-CB 3.4Å; F769-L785 PolarHBondContact O-N 3.11Å; V771-L785 HydrophobicContact CG2-CB 4.09Å; V771-L785 HydrophobicContact CG2-CD2 4.15Å; L785-L790 HydrophobicContact CD1-CD2 4.08Å; L785-L790 HydrophobicContact CD1-CG 4.38Å; L785-L790 HydrophobicContact CD2-CD1 3.82Å; L785-L790 HydrophobicContact CD2-CD2 4.48Å; L785-L790 HydrophobicContact CD2-CG 4.45Å; L785-L790 HydrophobicContact CG-CD1 4.12Å; L785-L790 HydrophobicContact CG-CD2 4.46Å; L785-L790 HydrophobicContact CG-CG 4.32Å; L785-M801 HydrophobicContact CD1-CE 3.93Å; L785-M801 HydrophobicContact CD1-SD 4.42Å; L785-L803 HydrophobicContact CD1-CD1 4.09Å; L785-L814 HydrophobicContact CD2-CD2 4.03Å; L785-L818 HydrophobicContact CD2-CD1 4.35Å
786E77.5Confident68.2Low80 Ų8078.3 Ų78.337%0.37441%0.409SS..EExtended strand (participates in β ladder)trans-80.4126.5175.5-53.7-163.4-179.700110.1V768 Q788 D789 L790V768-E786 HydrophobicContact CG1-CG 4.5Å; V768-E786 HydrophobicContact CG2-CG 4.11Å; E786-Q788 PolarHBondContact O-N 2.67Å; E786-D789 HydrophobicContact CB-CB 4.33Å; E786-D789 PolarHBondContact O-N 3.22Å; E786-L790 PolarHBondContact O-N 3.45Å
787Y70.8Confident67.2Low37 Ų3774.7 Ų74.715%0.14541%0.408CS..Hα-helixtrans-64.5-27.1178.9-172.4-103000111.9G767 F769 L790 L791 I815 L818 N819 Y823G767-Y787 WeakPolarHBondContact O-CB 3.38Å; G767-Y787 PolarHBondContact O-N 2.96Å; F769-Y787 HydrophobicContact CE2-CD2 4.04Å; F769-Y787 HydrophobicContact CE2-CG 4.37Å; Y787-L790 HydrophobicContact CD2-CD1 4.42Å; Y787-L790 PolarHBondContact O-N 2.95Å; Y787-L791 HydrophobicContact CD1-CD1 3.91Å; Y787-L791 HydrophobicContact CD1-CG 4.3Å; Y787-L791 HydrophobicContact CE1-CD1 3.59Å; Y787-L791 HydrophobicContact CE1-CD2 4.35Å; Y787-L791 HydrophobicContact CE1-CG 3.97Å; Y787-L791 WeakPolarHBondContact O-CG 3.38Å; Y787-L791 PolarHBondContact O-N 2.98Å; Y787-L791 VanDerWaalsContact O-N 3.14Å; Y787-I815 HydrophobicContact CE2-CG2 4.28Å; Y787-L818 HydrophobicContact CD2-CD1 4.17Å; Y787-L818 HydrophobicContact CE2-CB 4.41Å; Y787-N819 VanDerWaalsContact OH-CG 3.32Å; Y787-N819 PolarHBondContact OH-ND2 2.94Å; Y787-N819 PolarHBondContact OH-OD1 3.05Å; Y787-Y823 HydrophobicContact CD2-CE2 4.37Å; Y787-Y823 HydrophobicContact CE2-CE2 4.31Å
788Q59.7Low67.5Low82 Ų8273.9 Ų73.938%0.38339%0.389SS..Hα-helixtrans-69.3-38.6175.9-169.3167.5-7.800111.8V86 E786 L790 L791 Q792V86-Q788 PolarHBondContact O-NE2 2.82Å; E786-Q788 PolarHBondContact O-N 2.67Å; Q788-L790 VanDerWaalsContact C-N 3.3Å; Q788-L790 PolarHBondContact O-N 3.25Å; Q788-L791 PolarHBondContact O-N 3.47Å; Q788-Q792 WeakPolarHBondContact O-CB 3.3Å; Q788-Q792 PolarHBondContact O-N 3.44Å
789D72.9Confident67.2Low74 Ų7471.4 Ų71.440%0.39638%0.379SS..Hα-helixtrans-62.8-39.2174.3-66.2-14.2000111.2E786 Q792 L793E786-D789 HydrophobicContact CB-CB 4.33Å; E786-D789 PolarHBondContact O-N 3.22Å; D789-Q792 PolarHBondContact O-N 2.9Å; D789-L793 WeakPolarHBondContact O-CB 3.48Å; D789-L793 VanDerWaalsContact O-CG 3.24Å; D789-L793 WeakPolarHBondContact O-CG 3.4Å; D789-L793 PolarHBondContact O-N 3.28Å
790L67.4Low67.5Low0 Ų070.1 Ų70.10%038%0.377CS..Hα-helixtrans-63.2-44175-64.3177.1000112.2L785 E786 Y787 Q788 Q792 L793 Q794 M801 V811 L814 I815 L818L785-L790 HydrophobicContact CD1-CD2 4.08Å; L785-L790 HydrophobicContact CD1-CG 4.38Å; L785-L790 HydrophobicContact CD2-CD1 3.82Å; L785-L790 HydrophobicContact CD2-CD2 4.48Å; L785-L790 HydrophobicContact CD2-CG 4.45Å; L785-L790 HydrophobicContact CG-CD1 4.12Å; L785-L790 HydrophobicContact CG-CD2 4.46Å; L785-L790 HydrophobicContact CG-CG 4.32Å; E786-L790 PolarHBondContact O-N 3.45Å; Y787-L790 HydrophobicContact CD2-CD1 4.42Å; Y787-L790 PolarHBondContact O-N 2.95Å; Q788-L790 VanDerWaalsContact C-N 3.3Å; Q788-L790 PolarHBondContact O-N 3.25Å; L790-Q792 VanDerWaalsContact C-N 3.32Å; L790-L793 PolarHBondContact O-N 3.42Å; L790-Q794 WeakPolarHBondContact O-CB 3.34Å; L790-Q794 PolarHBondContact O-N 2.88Å; L790-M801 HydrophobicContact CD2-CE 4.24Å; L790-M801 HydrophobicContact CD2-SD 3.28Å; L790-M801 WeakPolarHBondContact CD2-SD 3.37Å; L790-V811 HydrophobicContact CD2-CG1 4.37Å; L790-V811 WeakPolarHBondContact O-CG1 3.23Å; L790-L814 HydrophobicContact CD1-CD2 4.37Å; L790-L814 HydrophobicContact CD1-CG 4.47Å; L790-L814 HydrophobicContact CD2-CD2 4.03Å; L790-I815 HydrophobicContact CB-CD1 4.01Å; L790-I815 HydrophobicContact CB-CG1 3.79Å; L790-I815 HydrophobicContact CD1-CG1 4.29Å; L790-L818 HydrophobicContact CD1-CD1 3.64Å
791L56.4Low67.9Low70 Ų7066.3 Ų66.337%0.36636%0.356SS..Hα-helixtrans-67.1-35176.5-71.1176.4000111.9Y787 Q788 Q794 Y795 I815Y787-L791 HydrophobicContact CD1-CD1 3.91Å; Y787-L791 HydrophobicContact CD1-CG 4.3Å; Y787-L791 HydrophobicContact CE1-CD1 3.59Å; Y787-L791 HydrophobicContact CE1-CD2 4.35Å; Y787-L791 HydrophobicContact CE1-CG 3.97Å; Y787-L791 WeakPolarHBondContact O-CG 3.38Å; Y787-L791 PolarHBondContact O-N 2.98Å; Y787-L791 VanDerWaalsContact O-N 3.14Å; Q788-L791 PolarHBondContact O-N 3.47Å; L791-Q794 PolarHBondContact O-N 3.48Å; L791-Y795 VanDerWaalsContact O-CB 3.3Å; L791-Y795 WeakPolarHBondContact O-CB 3.4Å; L791-Y795 PolarHBondContact O-N 3.09Å; L791-I815 HydrophobicContact CD2-CD1 4.37Å
792Q53.5Low68.1Low98 Ų9867.1 Ų67.146%0.45836%0.358SS..Hα-helixtrans-66.7-45.4174.5-178.5172.2-13.600111.1Q788 D789 L790 Q794 Y795 E796Q788-Q792 WeakPolarHBondContact O-CB 3.3Å; Q788-Q792 PolarHBondContact O-N 3.44Å; D789-Q792 PolarHBondContact O-N 2.9Å; L790-Q792 VanDerWaalsContact C-N 3.32Å; Q792-Q794 VanDerWaalsContact C-N 3.32Å; Q792-Q794 PolarHBondContact O-N 3.49Å; Q792-Y795 CarbonylContact O-C 3.57Å; Q792-Y795 WeakPolarHBondContact O-CA 3.32Å; Q792-Y795 WeakPolarHBondContact O-CB 3.5Å; Q792-Y795 PolarHBondContact O-N 3.36Å; Q792-Y795 VanDerWaalsContact O-N 3.09Å; Q792-E796 HydrophobicContact CG-CG 4.37Å; Q792-E796 VanDerWaalsContact CG-OE1 3.28Å; Q792-E796 WeakPolarHBondContact CG-OE1 3.42Å; Q792-E796 PolarHBondContact NE2-OE1 2.96Å; Q792-E796 WeakPolarHBondContact O-CB 3.5Å; Q792-E796 WeakPolarHBondContact O-CG 3.18Å; Q792-E796 PolarHBondContact O-N 3.35Å
793L66.6Low68Low39 Ų3964.9 Ų64.920%0.20434%0.344CS..Hα-helixtrans-61.5-39.9174.5-71.6169.7000111.7D789 L790 Y795 E796 G797 V798 M801 V811D789-L793 WeakPolarHBondContact O-CB 3.48Å; D789-L793 VanDerWaalsContact O-CG 3.24Å; D789-L793 WeakPolarHBondContact O-CG 3.4Å; D789-L793 PolarHBondContact O-N 3.28Å; L790-L793 PolarHBondContact O-N 3.42Å; L793-Y795 VanDerWaalsContact C-N 3.34Å; L793-E796 PolarHBondContact O-N 3.34Å; L793-G797 PolarHBondContact O-N 2.97Å; L793-V798 HydrophobicContact CB-CB 4.28Å; L793-V798 HydrophobicContact CD2-CB 4.03Å; L793-V798 HydrophobicContact CD2-CG1 4.06Å; L793-V798 HydrophobicContact CD2-CG2 4.23Å; L793-V798 WeakPolarHBondContact O-CB 3.29Å; L793-V798 PolarHBondContact O-N 3.45Å; L793-M801 HydrophobicContact CD1-CB 4.13Å; L793-M801 HydrophobicContact CD1-CE 4.17Å; L793-M801 HydrophobicContact CD1-SD 4.13Å; L793-V811 HydrophobicContact CB-CG1 4.03Å; L793-V811 HydrophobicContact CB-CG2 4.38Å; L793-V811 HydrophobicContact CD1-CG2 4.47Å
794Q53Low67.8Low83 Ų8364 Ų6439%0.38834%0.337SS..Hα-helixtrans-62.6-40.1172.1174.5173.668.300112L790 L791 Q792 G797 V811 N812 I815L790-Q794 WeakPolarHBondContact O-CB 3.34Å; L790-Q794 PolarHBondContact O-N 2.88Å; L791-Q794 PolarHBondContact O-N 3.48Å; Q792-Q794 VanDerWaalsContact C-N 3.32Å; Q792-Q794 PolarHBondContact O-N 3.49Å; Q794-G797 PolarHBondContact O-N 3.47Å; Q794-V811 HydrophobicContact CB-CG1 4.4Å; Q794-N812 WeakPolarHBondContact CG-OD1 3.34Å; Q794-N812 PolarHBondContact NE2-OD1 3.14Å; Q794-I815 HydrophobicContact CB-CD1 3.91Å; Q794-I815 HydrophobicContact CG-CD1 4.47Å
795Y45.3Very low67.3Low175 Ų17566.9 Ų66.969%0.68635%0.347SS*.Hα-helixtrans-69.3-36.9177.4178.6-95.8000112.8L791 Q792 L793 G797L791-Y795 VanDerWaalsContact O-CB 3.3Å; L791-Y795 WeakPolarHBondContact O-CB 3.4Å; L791-Y795 PolarHBondContact O-N 3.09Å; Q792-Y795 CarbonylContact O-C 3.57Å; Q792-Y795 WeakPolarHBondContact O-CA 3.32Å; Q792-Y795 WeakPolarHBondContact O-CB 3.5Å; Q792-Y795 PolarHBondContact O-N 3.36Å; Q792-Y795 VanDerWaalsContact O-N 3.09Å; L793-Y795 VanDerWaalsContact C-N 3.34Å; Y795-G797 PolarHBondContact O-N 2.9Å
796E53.3Low67.1Low109 Ų10971.7 Ų71.751%0.50937%0.367SS..THydrogen-bonded Turntrans-75.1-0.7175.8-70.4172.8-174.800112.8Q792 L793 V798Q792-E796 HydrophobicContact CG-CG 4.37Å; Q792-E796 VanDerWaalsContact CG-OE1 3.28Å; Q792-E796 WeakPolarHBondContact CG-OE1 3.42Å; Q792-E796 PolarHBondContact NE2-OE1 2.96Å; Q792-E796 WeakPolarHBondContact O-CB 3.5Å; Q792-E796 WeakPolarHBondContact O-CG 3.18Å; Q792-E796 PolarHBondContact O-N 3.35Å; L793-E796 PolarHBondContact O-N 3.34Å; E796-V798 HydrophobicContact CB-CG2 4.15Å; E796-V798 PolarHBondContact O-N 3.33Å
797G48.8Very low67.2Low65 Ų6568 Ų6867%0.6735%0.351SS*.THydrogen-bonded Turntrans7513-18000000113.8L793 Q794 Y795 A799L793-G797 PolarHBondContact O-N 2.97Å; Q794-G797 PolarHBondContact O-N 3.47Å; Y795-G797 PolarHBondContact O-N 2.9Å; G797-A799 PolarHBondContact O-N 2.91Å
798V69.8Low67.8Low54 Ų5467.2 Ų67.233%0.32735%0.349SS..  trans-80.2101.2178.1-178.50000108.8L793 E796 V800L793-V798 HydrophobicContact CB-CB 4.28Å; L793-V798 HydrophobicContact CD2-CB 4.03Å; L793-V798 HydrophobicContact CD2-CG1 4.06Å; L793-V798 HydrophobicContact CD2-CG2 4.23Å; L793-V798 WeakPolarHBondContact O-CB 3.29Å; L793-V798 PolarHBondContact O-N 3.45Å; E796-V798 HydrophobicContact CB-CG2 4.15Å; E796-V798 PolarHBondContact O-N 3.33Å; V798-V800 VanDerWaalsContact C-N 3.28Å; V798-V800 WeakPolarHBondContact CG1-O 3.17Å; V798-V800 PolarHBondContact O-N 2.85Å
799A68.8Low69.1Low47 Ų4763.8 Ų63.839%0.38833%0.334SS..  trans-73.8-19-177.600000113.7G797 N810 V811G797-A799 PolarHBondContact O-N 2.91Å; A799-N810 WeakPolarHBondContact O-CA 3.4Å; A799-V811 PolarHBondContact O-N 2.56Å
800V81.6Confident69.6Low61 Ų6161.9 Ų61.937%0.3732%0.324SS..EExtended strand (participates in β ladder)trans-137.6135.9-169.2-178.30000110.9I743 V798 T808 V809I743-V800 HydrophobicContact CD1-CB 4.4Å; I743-V800 HydrophobicContact CD1-CG1 3.89Å; I743-V800 HydrophobicContact CD1-CG2 3.61Å; V798-V800 VanDerWaalsContact C-N 3.28Å; V798-V800 WeakPolarHBondContact CG1-O 3.17Å; V798-V800 PolarHBondContact O-N 2.85Å; V800-T808 HydrophobicContact CG1-CG2 3.14Å; V800-V809 WeakPolarHBondContact CA-O 3.34Å
801M82.7Confident70.1Confident36 Ų3661.9 Ų61.918%0.17732%0.324CS..EExtended strand (participates in β ladder)trans-129157.6173.469.6179.1-60.100111.1L785 L790 L793 L803 V809 V811 L814L785-M801 HydrophobicContact CD1-CE 3.93Å; L785-M801 HydrophobicContact CD1-SD 4.42Å; L790-M801 HydrophobicContact CD2-CE 4.24Å; L790-M801 HydrophobicContact CD2-SD 3.28Å; L790-M801 WeakPolarHBondContact CD2-SD 3.37Å; L793-M801 HydrophobicContact CD1-CB 4.13Å; L793-M801 HydrophobicContact CD1-CE 4.17Å; L793-M801 HydrophobicContact CD1-SD 4.13Å; M801-L803 HydrophobicContact CE-CD1 4.47Å; M801-L803 HydrophobicContact SD-CD1 4.48Å; M801-V809 HydrophobicContact CG-CG2 3.38Å; M801-V809 PolarHBondContact N-O 2.97Å; M801-V809 WeakPolarHBondContact O-CG2 3.41Å; M801-V809 PolarHBondContact O-N 2.95Å; M801-V809 HydrophobicContact SD-CG2 4.17Å; M801-V811 HydrophobicContact CB-CG2 3.86Å; M801-V811 HydrophobicContact CG-CG2 3.79Å; M801-V811 HydrophobicContact SD-CG2 4.13Å; M801-L814 HydrophobicContact SD-CD2 4.43Å
802K81.6Confident70.8Confident116 Ų11661.8 Ų61.850%0.50432%0.324SS..EExtended strand (participates in β ladder)trans-93.7131.9169.3-69.9-165174.3-152.90110.1D746 A807D746-K802 IonicContact OD2-NZ 2.78Å; D746-K802 PolarHBondContact OD2-NZ 2.9Å; D746-K802 VanDerWaalsContact OD2-NZ 3.08Å; K802-A807 CarbonylContact C-O 3.32Å; K802-A807 WeakPolarHBondContact CA-O 3.36Å
803L77.5Confident72Confident10 Ų1060.3 Ų60.35%0.05232%0.318CS..EExtended strand (participates in β ladder)trans-110134.1172.6-130.7122.2000107.7V771 L785 M801 D805 K806 A807 V809 L814V771-L803 HydrophobicContact CB-CD2 4.09Å; V771-L803 HydrophobicContact CG1-CD2 3.85Å; V771-L803 HydrophobicContact CG2-CD2 4.42Å; L785-L803 HydrophobicContact CD1-CD1 4.09Å; M801-L803 HydrophobicContact CE-CD1 4.47Å; M801-L803 HydrophobicContact SD-CD1 4.48Å; L803-D805 PolarHBondContact O-N 3.1Å; L803-K806 PolarHBondContact O-N 3.27Å; L803-A807 HydrophobicContact CB-CB 4.37Å; L803-A807 PolarHBondContact N-O 3.48Å; L803-A807 WeakPolarHBondContact O-CA 3.43Å; L803-A807 WeakPolarHBondContact O-CB 3.34Å; L803-A807 PolarHBondContact O-N 2.72Å; L803-V809 HydrophobicContact CB-CG2 4.41Å; L803-V809 HydrophobicContact CD1-CG2 3.85Å; L803-L814 HydrophobicContact CD1-CD2 4.25Å
804F78.1Confident72.6Confident22 Ų2258.9 Ų58.910%0.09631%0.311CS..THydrogen-bonded Turntrans58.224.5-174.9-47.5-79.5000114.4F758 V771 A773 E781 V783 K806F758-F804 AromaticContact CD1-CE2 3.81Å; F758-F804 HydrophobicContact CD1-CE2 3.81Å; F758-F804 AromaticContact CE1-CD2 3.99Å; F758-F804 HydrophobicContact CE1-CD2 3.99Å; F758-F804 AromaticContact CE1-CE2 3.55Å; F758-F804 HydrophobicContact CE1-CE2 3.55Å; V771-F804 HydrophobicContact CB-CZ 4.17Å; V771-F804 HydrophobicContact CG1-CE2 4.08Å; V771-F804 HydrophobicContact CG1-CZ 3.88Å; V771-F804 VanDerWaalsContact O-CZ 3.29Å; V771-F804 WeakPolarHBondContact O-CZ 3.45Å; A773-F804 HydrophobicContact CB-CD2 4.36Å; A773-F804 HydrophobicContact CB-CE1 4.21Å; A773-F804 HydrophobicContact CB-CE2 3.9Å; A773-F804 HydrophobicContact CB-CZ 3.83Å; E781-F804 HydrophobicContact CB-CD1 3.73Å; E781-F804 HydrophobicContact CB-CE1 4.04Å; E781-F804 HydrophobicContact CG-CD1 3.82Å; E781-F804 HydrophobicContact CG-CE1 4.27Å; E781-F804 WeakPolarHBondContact O-CE1 3.5Å; V783-F804 HydrophobicContact CB-CD1 4.05Å; V783-F804 HydrophobicContact CB-CE1 3.71Å; V783-F804 HydrophobicContact CB-CZ 4.28Å; V783-F804 HydrophobicContact CG2-CD1 3.28Å; V783-F804 HydrophobicContact CG2-CE1 3.43Å; V783-F804 VanDerWaalsContact CG2-CE1 3.43Å; V783-F804 HydrophobicContact CG2-CG 4.16Å; V783-F804 HydrophobicContact CG2-CZ 4.39Å; F804-K806 WeakPolarHBondContact O-CG 3.18Å; F804-K806 PolarHBondContact O-N 3.06Å
805D68.8Low73.4Confident136 Ų13655.3 Ų55.373%0.72730%0.295SS*.THydrogen-bonded Turntrans52.99.6-172.5-66.7-30.6000116.3L803L803-D805 PolarHBondContact O-N 3.1Å
806K73.9Confident74.6Confident112 Ų11252.9 Ų52.949%0.48729%0.288SS..THydrogen-bonded Turntrans-134.7-27-173.8-65.1-174.4-179.2-161.90113.7I745 D746 L803 F804I745-K806 CarbonylContact C-O 3.52Å; I745-K806 WeakPolarHBondContact CA-O 3.25Å; D746-K806 HydrophobicContact CB-CB 4.36Å; D746-K806 PolarHBondContact N-O 2.86Å; L803-K806 PolarHBondContact O-N 3.27Å; F804-K806 WeakPolarHBondContact O-CG 3.18Å; F804-K806 PolarHBondContact O-N 3.06Å
807A80.4Confident75.7Confident3 Ų348.2 Ų48.23%0.02527%0.266CS..EExtended strand (participates in β ladder)trans-103.3114-178.200000111.2L742 S744 I745 F758 K802 L803L742-A807 HydrophobicContact CD1-CB 4.07Å; S744-A807 CarbonylContact O-C 3.55Å; I745-A807 HydrophobicContact CG1-CB 4.14Å; F758-A807 HydrophobicContact CZ-CB 4.3Å; K802-A807 CarbonylContact C-O 3.32Å; K802-A807 WeakPolarHBondContact CA-O 3.36Å; L803-A807 HydrophobicContact CB-CB 4.37Å; L803-A807 PolarHBondContact N-O 3.48Å; L803-A807 WeakPolarHBondContact O-CA 3.43Å; L803-A807 WeakPolarHBondContact O-CB 3.34Å; L803-A807 PolarHBondContact O-N 2.72Å
808T83.9Confident76.8Confident19 Ų1945.1 Ų45.112%0.11724%0.235CC..EExtended strand (participates in β ladder)trans-86.1119.2178.5-57.50000109.7I743 S744 V800I743-T808 HydrophobicContact CB-CG2 4.22Å; I743-T808 WeakPolarHBondContact CB-O 3.44Å; I743-T808 HydrophobicContact CD1-CG2 4.31Å; I743-T808 PolarHBondContact N-O 3.21Å; S744-T808 PolarHBondContact N-O 3.47Å; S744-T808 PolarHBondContact O-N 3.45Å; V800-T808 HydrophobicContact CG1-CG2 3.14Å
809V86.3Confident76.6Confident11 Ų1144.4 Ų44.47%0.06723%0.229CC..EExtended strand (participates in β ladder)trans-125.1146.7-174.2-62.80000112.3V741 L742 V800 M801 L803 L814V741-V809 CarbonylContact O-C 3.57Å; V741-V809 WeakPolarHBondContact O-CA 3.46Å; V741-V809 VanDerWaalsContact O-CB 3.27Å; V741-V809 WeakPolarHBondContact O-CB 3.39Å; L742-V809 HydrophobicContact CD1-CG1 3.8Å; V800-V809 WeakPolarHBondContact CA-O 3.34Å; M801-V809 HydrophobicContact CG-CG2 3.38Å; M801-V809 PolarHBondContact N-O 2.97Å; M801-V809 WeakPolarHBondContact O-CG2 3.41Å; M801-V809 PolarHBondContact O-N 2.95Å; M801-V809 HydrophobicContact SD-CG2 4.17Å; L803-V809 HydrophobicContact CB-CG2 4.41Å; L803-V809 HydrophobicContact CD1-CG2 3.85Å; V809-L814 HydrophobicContact CG2-CD2 4.14Å
810N83Confident76.6Confident34 Ų3448.3 Ų48.318%0.18224%0.237CC..EExtended strand (participates in β ladder)trans-81.9118.8175.8-175.6-59.5000110.2G740 V741 I743 A799 N812 L813 L814G740-N810 WeakPolarHBondContact O-CB 3.5Å; V741-N810 PolarHBondContact O-N 3.44Å; I743-N810 HydrophobicContact CD1-CB 4.28Å; A799-N810 WeakPolarHBondContact O-CA 3.4Å; N810-N812 PolarHBondContact O-N 3.27Å; N810-N812 PolarHBondContact OD1-N 3.03Å; N810-N812 VanDerWaalsContact OD1-N 3.08Å; N810-L813 HydrophobicContact CB-CB 4.26Å; N810-L813 HydrophobicContact CB-CD1 4.29Å; N810-L813 HydrophobicContact CB-CG 4.48Å; N810-L813 PolarHBondContact O-N 3.48Å; N810-L813 PolarHBondContact OD1-N 3.25Å; N810-L813 VanDerWaalsContact OD1-N 3.07Å; N810-L814 VanDerWaalsContact O-CB 3.25Å; N810-L814 WeakPolarHBondContact O-CB 3.32Å; N810-L814 PolarHBondContact O-N 2.9Å
811V78.3Confident76.2Confident0 Ų050.1 Ų50.10%024%0.24CC..Hα-helixtrans-63.4-44.7-173.7177.30000111.2L790 L793 Q794 A799 M801 L813 L814 I815L790-V811 HydrophobicContact CD2-CG1 4.37Å; L790-V811 WeakPolarHBondContact O-CG1 3.23Å; L793-V811 HydrophobicContact CB-CG1 4.03Å; L793-V811 HydrophobicContact CB-CG2 4.38Å; L793-V811 HydrophobicContact CD1-CG2 4.47Å; Q794-V811 HydrophobicContact CB-CG1 4.4Å; A799-V811 PolarHBondContact O-N 2.56Å; M801-V811 HydrophobicContact CB-CG2 3.86Å; M801-V811 HydrophobicContact CG-CG2 3.79Å; M801-V811 HydrophobicContact SD-CG2 4.13Å; V811-L813 PolarHBondContact O-N 3.07Å; V811-L814 PolarHBondContact O-N 3.5Å; V811-I815 HydrophobicContact CG1-CD1 3.87Å; V811-I815 WeakPolarHBondContact O-CD1 3.46Å; V811-I815 VanDerWaalsContact O-CG1 3.25Å; V811-I815 WeakPolarHBondContact O-CG1 3.44Å; V811-I815 PolarHBondContact O-N 3.26Å
812N71.6Confident75.3Confident68 Ų6850.9 Ų50.936%0.36424%0.242SC..Hα-helixtrans-65.3-43.1-177.5-68.6-36.7000112.2Q794 N810 F816Q794-N812 WeakPolarHBondContact CG-OD1 3.34Å; Q794-N812 PolarHBondContact NE2-OD1 3.14Å; N810-N812 PolarHBondContact O-N 3.27Å; N810-N812 PolarHBondContact OD1-N 3.03Å; N810-N812 VanDerWaalsContact OD1-N 3.08Å; N812-F816 PolarHBondContact O-N 3.27Å
813L77.9Confident74.1Confident66 Ų6650 Ų5035%0.34624%0.236SC..Hα-helixtrans-75-29.8179.7-65.4176.1000112.2G740 V741 N810 V811 F816 L817G740-L813 VanDerWaalsContact O-CD1 3.3Å; G740-L813 WeakPolarHBondContact O-CD1 3.41Å; V741-L813 HydrophobicContact CG2-CB 3.95Å; N810-L813 HydrophobicContact CB-CB 4.26Å; N810-L813 HydrophobicContact CB-CD1 4.29Å; N810-L813 HydrophobicContact CB-CG 4.48Å; N810-L813 PolarHBondContact O-N 3.48Å; N810-L813 PolarHBondContact OD1-N 3.25Å; N810-L813 VanDerWaalsContact OD1-N 3.07Å; V811-L813 PolarHBondContact O-N 3.07Å; L813-F816 PolarHBondContact O-N 3.37Å; L813-L817 WeakPolarHBondContact O-CB 3.48Å; L813-L817 PolarHBondContact O-N 2.94Å
814L79.1Confident72.4Confident10 Ų1052.9 Ų52.95%0.05227%0.269CS..Hα-helixtrans-66.5-45.3172.2-176.359.2000111.4V741 L785 L790 M801 L803 V809 N810 V811 F816 L817 L818V741-L814 HydrophobicContact CG1-CB 4Å; V741-L814 HydrophobicContact CG1-CD1 3.81Å; L785-L814 HydrophobicContact CD2-CD2 4.03Å; L790-L814 HydrophobicContact CD1-CD2 4.37Å; L790-L814 HydrophobicContact CD1-CG 4.47Å; L790-L814 HydrophobicContact CD2-CD2 4.03Å; M801-L814 HydrophobicContact SD-CD2 4.43Å; L803-L814 HydrophobicContact CD1-CD2 4.25Å; V809-L814 HydrophobicContact CG2-CD2 4.14Å; N810-L814 VanDerWaalsContact O-CB 3.25Å; N810-L814 WeakPolarHBondContact O-CB 3.32Å; N810-L814 PolarHBondContact O-N 2.9Å; V811-L814 PolarHBondContact O-N 3.5Å; L814-F816 VanDerWaalsContact C-N 3.32Å; L814-F816 PolarHBondContact O-N 2.96Å; L814-L817 WeakPolarHBondContact O-CB 3.46Å; L814-L817 PolarHBondContact O-N 3.12Å; L814-L818 HydrophobicContact CG-CD1 4.43Å; L814-L818 WeakPolarHBondContact O-CG 3.4Å; L814-L818 PolarHBondContact O-N 3.31Å
815I70.3Confident70.6Confident8 Ų862.6 Ų62.64%0.04131%0.311CS..Hα-helixtrans-57.7-46.5173.4-70164.4000110.5Y787 L790 L791 Q794 V811 L817 L818 N819Y787-I815 HydrophobicContact CE2-CG2 4.28Å; L790-I815 HydrophobicContact CB-CD1 4.01Å; L790-I815 HydrophobicContact CB-CG1 3.79Å; L790-I815 HydrophobicContact CD1-CG1 4.29Å; L791-I815 HydrophobicContact CD2-CD1 4.37Å; Q794-I815 HydrophobicContact CB-CD1 3.91Å; Q794-I815 HydrophobicContact CG-CD1 4.47Å; V811-I815 HydrophobicContact CG1-CD1 3.87Å; V811-I815 WeakPolarHBondContact O-CD1 3.46Å; V811-I815 VanDerWaalsContact O-CG1 3.25Å; V811-I815 WeakPolarHBondContact O-CG1 3.44Å; V811-I815 PolarHBondContact O-N 3.26Å; I815-L817 VanDerWaalsContact C-N 3.34Å; I815-L817 PolarHBondContact O-N 2.79Å; I815-L818 PolarHBondContact O-N 3.47Å; I815-N819 WeakPolarHBondContact CG2-ND2 3.37Å; I815-N819 WeakPolarHBondContact O-CB 3.25Å; I815-N819 PolarHBondContact O-N 2.9Å; I815-N819 PolarHBondContact O-ND2 3.37Å
816F71.7Confident70.7Confident123 Ų12359 Ų5954%0.53929%0.29SS..Hα-helixtrans-59.6-42.7176.8-179.1-100000112.5N812 L813 L814 N819 K820N812-F816 PolarHBondContact O-N 3.27Å; L813-F816 PolarHBondContact O-N 3.37Å; L814-F816 VanDerWaalsContact C-N 3.32Å; L814-F816 PolarHBondContact O-N 2.96Å; F816-N819 PolarHBondContact O-N 3.23Å; F816-K820 HydrophobicContact CE1-CD 4.13Å; F816-K820 HydrophobicContact CZ-CD 4.27Å; F816-K820 WeakPolarHBondContact O-CB 3.49Å; F816-K820 PolarHBondContact O-N 3.23Å
817L75.3Confident70.5Confident11 Ų1156.2 Ų56.26%0.05828%0.28CS..Hα-helixtrans-62.5-43.4177.1-17572.4000111.9Y731 L736 V741 L813 L814 I815 K821Y731-L817 HydrophobicContact CD2-CD2 4.49Å; Y731-L817 HydrophobicContact CE2-CD2 4.22Å; L736-L817 HydrophobicContact CD2-CD2 3.86Å; V741-L817 HydrophobicContact CG1-CD2 4.45Å; V741-L817 HydrophobicContact CG2-CB 4.43Å; V741-L817 HydrophobicContact CG2-CD2 4.38Å; L813-L817 WeakPolarHBondContact O-CB 3.48Å; L813-L817 PolarHBondContact O-N 2.94Å; L814-L817 WeakPolarHBondContact O-CB 3.46Å; L814-L817 PolarHBondContact O-N 3.12Å; I815-L817 VanDerWaalsContact C-N 3.34Å; I815-L817 PolarHBondContact O-N 2.79Å; L817-K821 WeakPolarHBondContact O-CB 3.48Å; L817-K821 WeakPolarHBondContact O-CG 3.37Å; L817-K821 PolarHBondContact O-N 2.78Å
818L72.4Confident70Confident1 Ų159.1 Ų59.11%0.00529%0.294CS..Hα-helixtrans-66.5-43.4178.8-68.7174.5000111.5I760 F769 L785 Y787 L790 L814 I815 K821 F822I760-L818 HydrophobicContact CG2-CD2 3.97Å; F769-L818 HydrophobicContact CD1-CD2 4.17Å; F769-L818 HydrophobicContact CD2-CD1 4.12Å; F769-L818 HydrophobicContact CD2-CD2 4.35Å; F769-L818 HydrophobicContact CE1-CD2 4.23Å; F769-L818 HydrophobicContact CE2-CD1 4.16Å; F769-L818 HydrophobicContact CE2-CD2 4.4Å; F769-L818 HydrophobicContact CG-CD2 4.23Å; F769-L818 HydrophobicContact CZ-CD2 4.34Å; L785-L818 HydrophobicContact CD2-CD1 4.35Å; Y787-L818 HydrophobicContact CD2-CD1 4.17Å; Y787-L818 HydrophobicContact CE2-CB 4.41Å; L790-L818 HydrophobicContact CD1-CD1 3.64Å; L814-L818 HydrophobicContact CG-CD1 4.43Å; L814-L818 WeakPolarHBondContact O-CG 3.4Å; L814-L818 PolarHBondContact O-N 3.31Å; I815-L818 PolarHBondContact O-N 3.47Å; L818-K821 PolarHBondContact O-N 3.48Å; L818-F822 HydrophobicContact CD2-CD2 3.9Å; L818-F822 HydrophobicContact CD2-CE2 3.94Å; L818-F822 WeakPolarHBondContact O-CB 3.39Å; L818-F822 PolarHBondContact O-N 2.7Å
819N65.8Low69.1Low38 Ų3861.5 Ų61.520%0.20330%0.304CS..Iπ-helixtrans-60.8-48.3177-77.2-31000112.6Y787 I815 F816 K821 Y823 G824 K825Y787-N819 VanDerWaalsContact OH-CG 3.32Å; Y787-N819 PolarHBondContact OH-ND2 2.94Å; Y787-N819 PolarHBondContact OH-OD1 3.05Å; I815-N819 WeakPolarHBondContact CG2-ND2 3.37Å; I815-N819 WeakPolarHBondContact O-CB 3.25Å; I815-N819 PolarHBondContact O-N 2.9Å; I815-N819 PolarHBondContact O-ND2 3.37Å; F816-N819 PolarHBondContact O-N 3.23Å; N819-K821 PolarHBondContact O-N 3.45Å; N819-Y823 CarbonylContact O-C 3.53Å; N819-Y823 WeakPolarHBondContact O-CA 3.45Å; N819-Y823 PolarHBondContact O-N 3.39Å; N819-Y823 VanDerWaalsContact O-N 3.09Å; N819-Y823 WeakPolarHBondContact OD1-CD2 3.32Å; N819-G824 PolarHBondContact O-N 3.43Å; N819-K825 CarbonylContact C-O 3.54Å; N819-K825 PolarHBondContact O-N 3.49Å
820K69.7Low68.1Low129 Ų12964.6 Ų64.656%0.56132%0.319SS*.Iπ-helixtrans-64.7-27.2-179.4-173.6167.2-174.5164.10113.6F816 K825F816-K820 HydrophobicContact CE1-CD 4.13Å; F816-K820 HydrophobicContact CZ-CD 4.27Å; F816-K820 WeakPolarHBondContact O-CB 3.49Å; F816-K820 PolarHBondContact O-N 3.23Å; K820-K825 WeakPolarHBondContact CA-O 3.26Å
821K71.4Confident67.1Low99 Ų9966.7 Ų66.743%0.4333%0.328SS..Iπ-helixtrans-105.4-31.7-171.9-70-67.1178.5-172.50115Y731 L817 L818 N819Y731-K821 WeakPolarHBondContact OH-CE 3.43Å; L817-K821 WeakPolarHBondContact O-CB 3.48Å; L817-K821 WeakPolarHBondContact O-CG 3.37Å; L817-K821 PolarHBondContact O-N 2.78Å; L818-K821 PolarHBondContact O-N 3.48Å; N819-K821 PolarHBondContact O-N 3.45Å
822F64.5Low66.3Low53 Ų5371.4 Ų71.423%0.23235%0.352CS..Iπ-helixtrans-115.6-21.4-175.4-61.2-78.4000113.3Q729 I760 F769 L818Q729-F822 HydrophobicContact CB-CZ 3.89Å; Q729-F822 HydrophobicContact CG-CE1 3.96Å; Q729-F822 HydrophobicContact CG-CE2 4.24Å; Q729-F822 HydrophobicContact CG-CZ 3.51Å; I760-F822 HydrophobicContact CB-CE2 4.5Å; I760-F822 HydrophobicContact CB-CZ 4.39Å; I760-F822 HydrophobicContact CG2-CE2 3.92Å; I760-F822 HydrophobicContact CG2-CZ 4.05Å; F769-F822 HydrophobicContact CD1-CD2 4.45Å; F769-F822 HydrophobicContact CE1-CB 3.91Å; F769-F822 HydrophobicContact CE1-CD1 4.27Å; F769-F822 AromaticContact CE1-CD2 3.81Å; F769-F822 HydrophobicContact CE1-CD2 3.81Å; F769-F822 HydrophobicContact CE1-CE2 4.38Å; F769-F822 AromaticContact CE1-CG 3.74Å; F769-F822 HydrophobicContact CE1-CG 3.74Å; F769-F822 HydrophobicContact CZ-CB 4.2Å; F769-F822 HydrophobicContact CZ-CD2 4.49Å; F769-F822 HydrophobicContact CZ-CG 4.45Å; L818-F822 HydrophobicContact CD2-CD2 3.9Å; L818-F822 HydrophobicContact CD2-CE2 3.94Å; L818-F822 WeakPolarHBondContact O-CB 3.39Å; L818-F822 PolarHBondContact O-N 2.7Å
823Y56.1Low65.9Low97 Ų9771.7 Ų71.738%0.3835%0.351SS..Iπ-helixtrans-112.7-4.6180-62.4-71.7000114.4F769 Y787 N819 K825F769-Y823 HydrophobicContact CE2-CE2 4.07Å; F769-Y823 AromaticContact CZ-CE2 3.6Å; F769-Y823 HydrophobicContact CZ-CE2 3.6Å; F769-Y823 AromaticContact CZ-CZ 3.89Å; Y787-Y823 HydrophobicContact CD2-CE2 4.37Å; Y787-Y823 HydrophobicContact CE2-CE2 4.31Å; N819-Y823 CarbonylContact O-C 3.53Å; N819-Y823 WeakPolarHBondContact O-CA 3.45Å; N819-Y823 PolarHBondContact O-N 3.39Å; N819-Y823 VanDerWaalsContact O-N 3.09Å; N819-Y823 WeakPolarHBondContact OD1-CD2 3.32Å; Y823-K825 PolarHBondContact O-N 2.81Å
824G42.9Very low64.9Low71 Ų7172.2 Ų72.273%0.73235%0.351SS*.  trans64.519.2172.700000115N819N819-G824 PolarHBondContact O-N 3.43Å
825K39.3Very low63.6Low226 Ų22677.8 Ų77.898%0.98338%0.379SS*.  trans-103.40175.3-74.5-172.1176.9-177.80111.3N819 K820 Y823N819-K825 CarbonylContact C-O 3.54Å; N819-K825 PolarHBondContact O-N 3.49Å; K820-K825 WeakPolarHBondContact CA-O 3.26Å; Y823-K825 PolarHBondContact O-N 2.81Å

Retrieved 825 of 825 residues in 294.4 ms (Link to these results)

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