A0A087XHT6_POEFO Loading...

Protein SDA1

Required for 60S pre-ribosomal subunits export to the cytoplasm.

AlphaFold DB , UniProt , Accession A0A087XHT6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 684 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
1M42.2Very low51.3Low236 Ų236133.3 Ų133.3100%1.16371%0.707SS**  091.40-75.2-65.9-167.900109.6
2P36.4Very low54.2Low131 Ų131127.7 Ų127.785%0.85168%0.677SS**  trans-90.1135.6163.129.1-16.8000109.5
3G33.9Very low56.5Low75 Ų75119.2 Ų119.277%0.77363%0.632SS**  trans-57134.7-167.800000114.8Q5G3-Q5 PolarHBondContact O-N 3.5Å
4R42Very low58.7Low237 Ų237116.9 Ų116.989%0.89463%0.627SS**  trans-47.699.7159.4-71.4172171.6165.1-4.4109.5S6R4-S6 PolarHBondContact O-N 3.21Å
5Q43.8Very low60.5Low186 Ų186115.7 Ų115.787%0.86962%0.616SS**  trans-62.3122.3153.4-76.8178.3-12.300106.5G3G3-Q5 PolarHBondContact O-N 3.5Å
6S44.9Very low62.2Low80 Ų80108.5 Ų108.556%0.55958%0.578SS**  trans-39.2139.4-168.7650000115.6R4 K8R4-S6 PolarHBondContact O-N 3.21Å; S6-K8 PolarHBondContact O-N 2.76Å
7N57.7Low63.7Low141 Ų141104 Ų10475%0.75455%0.553SS**SBendtrans-5056.2171.1-69.1-15000115.7
8K59.9Low65.1Low148 Ų148102.8 Ų102.864%0.64355%0.546SS*.  trans-101.9-3.4170.6-67.1-174.9179.8-178.50112.4S6 N11 N12S6-K8 PolarHBondContact O-N 2.76Å; K8-N11 PolarHBondContact O-N 3.21Å; K8-N11 VanDerWaalsContact O-N 3.1Å; K8-N12 PolarHBondContact O-N 3.34Å; K8-N12 VanDerWaalsContact O-N 3.14Å
9L65.9Low66.3Low60 Ų6099.5 Ų99.531%0.31453%0.529SS..G310 helixtrans-55.2-42.4177.5-79155.8000113.3N11 N12 Q15 L19L9-N11 VanDerWaalsContact C-N 3.27Å; L9-N11 PolarHBondContact O-N 3.07Å; L9-N12 PolarHBondContact O-N 2.96Å; L9-Q15 HydrophobicContact CD2-CG 4.4Å; L9-L19 HydrophobicContact CD2-CD1 3.6Å
10P66.6Low67.5Low28 Ų2894.5 Ų94.518%0.18250%0.502CS..G310 helixtrans-67.6-25.4176.9-20.633.4000113.8Q34P10-Q34 PolarHBondContact O-NE2 2.88Å
11N71.3Confident68.4Low144 Ų14494.8 Ų94.877%0.7750%0.499SS*.G310 helixtrans-91.3-12.4-177.9-65-5.6000112.4K8 L9K8-N11 PolarHBondContact O-N 3.21Å; K8-N11 VanDerWaalsContact O-N 3.1Å; L9-N11 VanDerWaalsContact C-N 3.27Å; L9-N11 PolarHBondContact O-N 3.07Å
12N85.3Confident70.6Confident66 Ų6692.5 Ų92.535%0.35348%0.478SS..  trans-107.778.2179.1-168.6-3.1000110.6K8 L9 P14 Q15 L16K8-N12 PolarHBondContact O-N 3.34Å; K8-N12 VanDerWaalsContact O-N 3.14Å; L9-N12 PolarHBondContact O-N 2.96Å; N12-P14 WeakPolarHBondContact OD1-CD 3.44Å; N12-Q15 HydrophobicContact CB-CB 4.19Å; N12-Q15 WeakPolarHBondContact ND2-CB 3.35Å; N12-Q15 PolarHBondContact ND2-OE1 2.78Å; N12-Q15 PolarHBondContact O-N 3.08Å; N12-Q15 VanDerWaalsContact O-N 3.14Å; N12-L16 PolarHBondContact O-N 3.15Å
13L84.8Confident73.1Confident18 Ų1889.5 Ų89.59%0.09445%0.454CS..Hα-helixtrans-54.3-41.3-177.2-60.9174.8000113.8Q15 L16 Q17 Q34 E58 L59 F62L13-Q15 PolarHBondContact O-N 3.18Å; L13-L16 PolarHBondContact O-N 3.22Å; L13-Q17 VanDerWaalsContact O-CB 3.28Å; L13-Q17 WeakPolarHBondContact O-CB 3.45Å; L13-Q17 PolarHBondContact O-N 2.94Å; L13-Q34 HydrophobicContact CD2-CG 4.14Å; L13-E58 HydrophobicContact CD1-CB 3.86Å; L13-L59 HydrophobicContact CD1-CD2 4.32Å; L13-L59 HydrophobicContact CD2-CD2 4.44Å; L13-F62 HydrophobicContact CB-CB 4.37Å; L13-F62 HydrophobicContact CB-CD2 4.06Å; L13-F62 HydrophobicContact CB-CG 4.36Å; L13-F62 HydrophobicContact CD1-CB 4.33Å; L13-F62 HydrophobicContact CD2-CD1 4.26Å; L13-F62 HydrophobicContact CD2-CD2 4.22Å; L13-F62 HydrophobicContact CD2-CG 4.08Å
14P86.7Confident75.7Confident87 Ų8787.8 Ų87.857%0.56543%0.43SS*.Hα-helixtrans-62.3-39176.4-25.834.5000114.4N12 N18N12-P14 WeakPolarHBondContact OD1-CD 3.44Å; P14-N18 PolarHBondContact O-N 3.21Å
15Q86.1Confident77.8Confident98 Ų9884.7 Ų84.746%0.45843%0.425SS..Hα-helixtrans-70.2-44.5178.3-175.61758.700110.6L9 N12 L13 Q17 N18 L19L9-Q15 HydrophobicContact CD2-CG 4.4Å; N12-Q15 HydrophobicContact CB-CB 4.19Å; N12-Q15 WeakPolarHBondContact ND2-CB 3.35Å; N12-Q15 PolarHBondContact ND2-OE1 2.78Å; N12-Q15 PolarHBondContact O-N 3.08Å; N12-Q15 VanDerWaalsContact O-N 3.14Å; L13-Q15 PolarHBondContact O-N 3.18Å; Q15-Q17 VanDerWaalsContact C-N 3.3Å; Q15-Q17 PolarHBondContact O-N 3.25Å; Q15-N18 PolarHBondContact O-N 3.08Å; Q15-L19 HydrophobicContact CG-CD1 4.35Å; Q15-L19 WeakPolarHBondContact O-CG 3.38Å; Q15-L19 PolarHBondContact O-N 2.91Å; Q15-L19 VanDerWaalsContact O-N 3.16Å
16L87.5Confident79.9Confident1 Ų179.5 Ų79.51%0.00541%0.41CS..Hα-helixtrans-60.1-41.1175.8-177.260.6000111.5N12 L13 N18 L19 I20 Y27 E30 Q34 F62N12-L16 PolarHBondContact O-N 3.15Å; L13-L16 PolarHBondContact O-N 3.22Å; L16-N18 PolarHBondContact O-N 3.12Å; L16-L19 PolarHBondContact O-N 3.39Å; L16-I20 HydrophobicContact CD1-CD1 4.04Å; L16-I20 HydrophobicContact CD1-CG1 4.2Å; L16-I20 HydrophobicContact CD2-CD1 4.39Å; L16-I20 HydrophobicContact CG-CD1 3.73Å; L16-I20 HydrophobicContact CG-CG1 4.35Å; L16-I20 VanDerWaalsContact O-CG1 3.3Å; L16-I20 WeakPolarHBondContact O-CG1 3.32Å; L16-I20 PolarHBondContact O-N 2.63Å; L16-Y27 HydrophobicContact CD1-CD1 4.31Å; L16-E30 HydrophobicContact CD1-CB 3.98Å; L16-E30 HydrophobicContact CD2-CB 4.35Å; L16-Q34 HydrophobicContact CD2-CG 4.12Å; L16-F62 HydrophobicContact CB-CE2 4.23Å; L16-F62 HydrophobicContact CD2-CE2 4.09Å; L16-F62 HydrophobicContact CD2-CZ 3.71Å; L16-F62 HydrophobicContact CG-CE2 4.04Å; L16-F62 HydrophobicContact CG-CZ 3.99Å
17Q88.6Confident81.9Confident32 Ų3278.5 Ų78.515%0.1539%0.394CS..Hα-helixtrans-58.7-44.2176.8-175.2-152.2-6.500112.6L13 Q15 L19 K21 F62 Q65 V66L13-Q17 VanDerWaalsContact O-CB 3.28Å; L13-Q17 WeakPolarHBondContact O-CB 3.45Å; L13-Q17 PolarHBondContact O-N 2.94Å; Q15-Q17 VanDerWaalsContact C-N 3.3Å; Q15-Q17 PolarHBondContact O-N 3.25Å; Q17-L19 VanDerWaalsContact C-N 3.35Å; Q17-K21 HydrophobicContact CG-CD 4.44Å; Q17-K21 WeakPolarHBondContact O-CB 3.38Å; Q17-K21 WeakPolarHBondContact O-CG 3.43Å; Q17-K21 PolarHBondContact O-N 3.45Å; Q17-K21 VanDerWaalsContact O-N 3.07Å; Q17-F62 HydrophobicContact CB-CD2 4.06Å; Q17-F62 HydrophobicContact CB-CE2 4.05Å; Q17-Q65 HydrophobicContact CG-CB 4.3Å; Q17-V66 HydrophobicContact CG-CG2 4.16Å
18N88.9Confident83.4Confident82 Ų8273.8 Ų73.844%0.43937%0.37SS..Hα-helixtrans-66.5-39.9179.4-168.7-5.6000111.1P14 Q15 L16 K21 R22P14-N18 PolarHBondContact O-N 3.21Å; Q15-N18 PolarHBondContact O-N 3.08Å; L16-N18 PolarHBondContact O-N 3.12Å; N18-K21 PolarHBondContact O-N 2.89Å; N18-R22 WeakPolarHBondContact O-CG 3.46Å; N18-R22 PolarHBondContact O-N 3.42Å; N18-R22 PolarHBondContact OD1-NE 3.07Å; N18-R22 VanDerWaalsContact OD1-NE 3.1Å
19L87.6Confident84.6Confident40 Ų4072.7 Ų72.721%0.20937%0.372CS..Hα-helixtrans-65.4-47177.2-68.8173000112L9 Q15 L16 Q17 K21 R22 D23 Y27L9-L19 HydrophobicContact CD2-CD1 3.6Å; Q15-L19 HydrophobicContact CG-CD1 4.35Å; Q15-L19 WeakPolarHBondContact O-CG 3.38Å; Q15-L19 PolarHBondContact O-N 2.91Å; Q15-L19 VanDerWaalsContact O-N 3.16Å; L16-L19 PolarHBondContact O-N 3.39Å; Q17-L19 VanDerWaalsContact C-N 3.35Å; L19-K21 VanDerWaalsContact C-N 3.29Å; L19-K21 PolarHBondContact O-N 3.46Å; L19-R22 PolarHBondContact O-N 3.21Å; L19-D23 PolarHBondContact O-N 3.25Å; L19-Y27 HydrophobicContact CB-CD2 4.1Å; L19-Y27 HydrophobicContact CB-CE1 4.35Å; L19-Y27 HydrophobicContact CB-CE2 3.64Å; L19-Y27 HydrophobicContact CD1-CE1 4.28Å
20I89Confident85.7Confident0 Ų072.6 Ų72.60%037%0.37CS..Hα-helixtrans-60.2-39.7176.3-67.4165.5000111.3L16 R22 D23 P24 Y27 F31 F62 V66 C69 Y70L16-I20 HydrophobicContact CD1-CD1 4.04Å; L16-I20 HydrophobicContact CD1-CG1 4.2Å; L16-I20 HydrophobicContact CD2-CD1 4.39Å; L16-I20 HydrophobicContact CG-CD1 3.73Å; L16-I20 HydrophobicContact CG-CG1 4.35Å; L16-I20 VanDerWaalsContact O-CG1 3.3Å; L16-I20 WeakPolarHBondContact O-CG1 3.32Å; L16-I20 PolarHBondContact O-N 2.63Å; I20-R22 PolarHBondContact O-N 3.16Å; I20-D23 CarbonylContact O-C 3.44Å; I20-P24 WeakPolarHBondContact O-CA 3.19Å; I20-P24 WeakPolarHBondContact O-CD 3.36Å; I20-P24 VanDerWaalsContact O-CG 3.3Å; I20-P24 WeakPolarHBondContact O-CG 3.49Å; I20-Y27 HydrophobicContact CG1-CG 4.3Å; I20-F31 HydrophobicContact CD1-CB 4.44Å; I20-F62 HydrophobicContact CD1-CE2 4.08Å; I20-F62 HydrophobicContact CD1-CZ 3.6Å; I20-V66 HydrophobicContact CB-CG1 4.48Å; I20-V66 HydrophobicContact CD1-CG1 4.38Å; I20-V66 HydrophobicContact CD1-CG2 4.3Å; I20-V66 HydrophobicContact CG2-CG1 3.51Å; I20-V66 HydrophobicContact CG2-CG2 4.38Å; I20-C69 HydrophobicContact CG2-CB 4.41Å; I20-Y70 HydrophobicContact CG2-CE2 3.63Å
21K87.5Confident86.8Confident101 Ų10171.3 Ų71.344%0.43936%0.361SS..Hα-helixtrans-65.6-24.2177.5-78.6175.6170.8178.60113.7Q17 N18 L19Q17-K21 HydrophobicContact CG-CD 4.44Å; Q17-K21 WeakPolarHBondContact O-CB 3.38Å; Q17-K21 WeakPolarHBondContact O-CG 3.43Å; Q17-K21 PolarHBondContact O-N 3.45Å; Q17-K21 VanDerWaalsContact O-N 3.07Å; N18-K21 PolarHBondContact O-N 2.89Å; L19-K21 VanDerWaalsContact C-N 3.29Å; L19-K21 PolarHBondContact O-N 3.46Å
22R88.1Confident87.7Confident188 Ų18866.7 Ų66.771%0.70934%0.336SS*.Hα-helixtrans-85.6-43.2178-70.2172.5-175.8-155.2-6.2111.7N18 L19 I20N18-R22 WeakPolarHBondContact O-CG 3.46Å; N18-R22 PolarHBondContact O-N 3.42Å; N18-R22 PolarHBondContact OD1-NE 3.07Å; N18-R22 VanDerWaalsContact OD1-NE 3.1Å; L19-R22 PolarHBondContact O-N 3.21Å; I20-R22 PolarHBondContact O-N 3.16Å
23D88.6Confident87.9Confident67 Ų6768.7 Ų68.736%0.35834%0.343SS..  trans-143.290.2179.5-175.88.9000111.3L19 I20 Q25 S26 Y27L19-D23 PolarHBondContact O-N 3.25Å; I20-D23 CarbonylContact O-C 3.44Å; D23-Q25 VanDerWaalsContact C-N 3.29Å; D23-Q25 PolarHBondContact O-N 3.33Å; D23-Q25 PolarHBondContact OD1-N 3.28Å; D23-S26 VanDerWaalsContact OD2-CB 3.3Å; D23-S26 WeakPolarHBondContact OD2-CB 3.41Å; D23-S26 PolarHBondContact OD2-OG 3.11Å; D23-Y27 VanDerWaalsContact O-CD2 3.31Å; D23-Y27 WeakPolarHBondContact O-CD2 3.45Å
24P88.1Confident88.1Confident40 Ų4068.3 Ų68.326%0.2634%0.341SS..THydrogen-bonded Turntrans-65.9-25.1-178.5-22.432.2000114.6I20 C69 Y70I20-P24 WeakPolarHBondContact O-CA 3.19Å; I20-P24 WeakPolarHBondContact O-CD 3.36Å; I20-P24 VanDerWaalsContact O-CG 3.3Å; I20-P24 WeakPolarHBondContact O-CG 3.49Å; P24-C69 HydrophobicContact CB-CB 4.06Å; P24-C69 HydrophobicContact CG-CB 4.1Å; P24-Y70 HydrophobicContact CB-CE1 4.26Å; P24-Y70 WeakPolarHBondContact O-CE1 3.29Å; P24-Y70 PolarHBondContact O-OH 3.29Å
25Q86.4Confident88.3Confident171 Ų17165 Ų6580%0.79932%0.318SS*.THydrogen-bonded Turntrans-76.3-33.9-173.4-68-168.1-10.400112.2D23 Y27 V28D23-Q25 VanDerWaalsContact C-N 3.29Å; D23-Q25 PolarHBondContact O-N 3.33Å; D23-Q25 PolarHBondContact OD1-N 3.28Å; Q25-Y27 VanDerWaalsContact C-N 3.33Å; Q25-Y27 PolarHBondContact O-N 3.19Å; Q25-V28 WeakPolarHBondContact O-CG2 3.35Å
26S88.3Confident88.5Confident78 Ų7868.1 Ų68.155%0.54533%0.326SS..THydrogen-bonded Turntrans-75.1-19.5-176.9-63.90000114.2D23D23-S26 VanDerWaalsContact OD2-CB 3.3Å; D23-S26 WeakPolarHBondContact OD2-CB 3.41Å; D23-S26 PolarHBondContact OD2-OG 3.11Å
27Y87.4Confident88.6Confident58 Ų5871.9 Ų71.923%0.22734%0.343CS..THydrogen-bonded Turntrans-115.228-173.1-64.5-72.9000113.6L16 L19 I20 D23 Q25 E30 F31 Y70L16-Y27 HydrophobicContact CD1-CD1 4.31Å; L19-Y27 HydrophobicContact CB-CD2 4.1Å; L19-Y27 HydrophobicContact CB-CE1 4.35Å; L19-Y27 HydrophobicContact CB-CE2 3.64Å; L19-Y27 HydrophobicContact CD1-CE1 4.28Å; I20-Y27 HydrophobicContact CG1-CG 4.3Å; D23-Y27 VanDerWaalsContact O-CD2 3.31Å; D23-Y27 WeakPolarHBondContact O-CD2 3.45Å; Q25-Y27 VanDerWaalsContact C-N 3.33Å; Q25-Y27 PolarHBondContact O-N 3.19Å; Y27-E30 WeakPolarHBondContact CA-OE2 3.44Å; Y27-F31 WeakPolarHBondContact O-CB 3.46Å; Y27-F31 PolarHBondContact O-N 3.42Å; Y27-F31 VanDerWaalsContact O-N 3.14Å; Y27-Y70 PolarHBondContact O-OH 3.16Å
28V88.3Confident88.8Confident42 Ų4270.5 Ų70.526%0.25534%0.337SS..Hα-helixtrans-67.3-41.6179.8174.80000111.1Q25 F31 L32 Y70Q25-V28 WeakPolarHBondContact O-CG2 3.35Å; V28-F31 WeakPolarHBondContact O-CB 3.28Å; V28-F31 PolarHBondContact O-N 3.15Å; V28-L32 HydrophobicContact CG1-CD1 3.99Å; V28-L32 HydrophobicContact CG1-CG 4.27Å; V28-L32 WeakPolarHBondContact O-CG 3.49Å; V28-L32 PolarHBondContact O-N 3.29Å; V28-Y70 HydrophobicContact CG2-CE1 3.9Å
29D86.8Confident88.8Confident126 Ų12670.8 Ų70.867%0.67434%0.335SS*.Hα-helixtrans-68.6-42.7-176.3-71.5-25.2000111.8F31 L32 Q33D29-F31 VanDerWaalsContact C-N 3.3Å; D29-F31 PolarHBondContact O-N 3.41Å; D29-L32 PolarHBondContact O-N 2.85Å; D29-Q33 PolarHBondContact O-N 3.17Å
30E88Confident89Confident58 Ų5871.9 Ų71.927%0.27135%0.346SS..Hα-helixtrans-64.1-37.6173.8-65.783.7172.600111.4L16 Y27 Q33 Q34L16-E30 HydrophobicContact CD1-CB 3.98Å; L16-E30 HydrophobicContact CD2-CB 4.35Å; Y27-E30 WeakPolarHBondContact CA-OE2 3.44Å; E30-Q33 PolarHBondContact O-N 2.94Å; E30-Q34 WeakPolarHBondContact O-CG 3.36Å; E30-Q34 PolarHBondContact O-N 3.4Å
31F89.4Confident89Confident0 Ų072.7 Ų72.70%035%0.351CS..Hα-helixtrans-63.8-46.6173.6168.9-99.5000111.9I20 Y27 V28 D29 Q33 Q34 H35 F62 L63 V66 Y70 Q73 L74I20-F31 HydrophobicContact CD1-CB 4.44Å; Y27-F31 WeakPolarHBondContact O-CB 3.46Å; Y27-F31 PolarHBondContact O-N 3.42Å; Y27-F31 VanDerWaalsContact O-N 3.14Å; V28-F31 WeakPolarHBondContact O-CB 3.28Å; V28-F31 PolarHBondContact O-N 3.15Å; D29-F31 VanDerWaalsContact C-N 3.3Å; D29-F31 PolarHBondContact O-N 3.41Å; F31-Q33 VanDerWaalsContact C-N 3.27Å; F31-Q33 PolarHBondContact O-N 3.28Å; F31-Q34 PolarHBondContact O-N 2.66Å; F31-Q34 VanDerWaalsContact O-N 3.15Å; F31-H35 HydrophobicContact CZ-CB 4.48Å; F31-H35 WeakPolarHBondContact O-CB 3.28Å; F31-H35 PolarHBondContact O-N 3.43Å; F31-F62 HydrophobicContact CD2-CE1 4.43Å; F31-L63 HydrophobicContact CD2-CD2 4.3Å; F31-L63 HydrophobicContact CE2-CD2 3.53Å; F31-L63 HydrophobicContact CZ-CD2 4.2Å; F31-V66 HydrophobicContact CD2-CG1 4.2Å; F31-V66 HydrophobicContact CE2-CG1 4.31Å; F31-Y70 HydrophobicContact CB-CD2 4.23Å; F31-Y70 HydrophobicContact CB-CE2 3.55Å; F31-Y70 AromaticContact CD1-CD2 3.57Å; F31-Y70 HydrophobicContact CD1-CD2 3.57Å; F31-Y70 AromaticContact CD1-CE2 3.74Å; F31-Y70 HydrophobicContact CD1-CE2 3.74Å; F31-Y70 HydrophobicContact CD1-CG 4.01Å; F31-Y70 AromaticContact CD2-CD2 3.44Å; F31-Y70 HydrophobicContact CD2-CD2 3.44Å; F31-Y70 VanDerWaalsContact CD2-CD2 3.44Å; F31-Y70 AromaticContact CD2-CE2 3.53Å; F31-Y70 HydrophobicContact CD2-CE2 3.53Å; F31-Y70 AromaticContact CE1-CD2 3.73Å; F31-Y70 HydrophobicContact CE1-CD2 3.73Å; F31-Y70 HydrophobicContact CE1-CE2 4.37Å; F31-Y70 AromaticContact CE1-CG 3.95Å; F31-Y70 HydrophobicContact CE1-CG 3.95Å; F31-Y70 AromaticContact CE2-CD2 3.6Å; F31-Y70 HydrophobicContact CE2-CD2 3.6Å; F31-Y70 HydrophobicContact CE2-CE2 4.18Å; F31-Y70 HydrophobicContact CE2-CG 4.47Å; F31-Y70 AromaticContact CG-CD2 3.43Å; F31-Y70 HydrophobicContact CG-CD2 3.43Å; F31-Y70 VanDerWaalsContact CG-CD2 3.43Å; F31-Y70 AromaticContact CG-CE2 3.28Å; F31-Y70 HydrophobicContact CG-CE2 3.28Å; F31-Y70 HydrophobicContact CG-CG 4.33Å; F31-Y70 AromaticContact CZ-CD2 3.75Å; F31-Y70 HydrophobicContact CZ-CD2 3.75Å; F31-Y70 HydrophobicContact CZ-CG 4.2Å; F31-Q73 HydrophobicContact CE1-CB 4.06Å; F31-L74 HydrophobicContact CE2-CD1 3.87Å; F31-L74 HydrophobicContact CE2-CG 4.44Å; F31-L74 HydrophobicContact CZ-CD1 3.6Å; F31-L74 HydrophobicContact CZ-CD2 4.06Å; F31-L74 HydrophobicContact CZ-CG 3.73Å
32L89.8Confident89Confident48 Ų4868.3 Ų68.325%0.25133%0.332SS..Hα-helixtrans-62.5-35.5177.9-72.8175.2000111.8V28 D29 H35 R36V28-L32 HydrophobicContact CG1-CD1 3.99Å; V28-L32 HydrophobicContact CG1-CG 4.27Å; V28-L32 WeakPolarHBondContact O-CG 3.49Å; V28-L32 PolarHBondContact O-N 3.29Å; D29-L32 PolarHBondContact O-N 2.85Å; L32-H35 PolarHBondContact O-N 3.45Å; L32-R36 WeakPolarHBondContact O-CG 3.41Å; L32-R36 PolarHBondContact O-N 3.34Å
33Q90.1Very high89.1Confident107 Ų10765.4 Ų65.450%0.533%0.327SS..Hα-helixtrans-60.2-47.1173-172.4-179.39.400111.5D29 E30 F31 R36 H37D29-Q33 PolarHBondContact O-N 3.17Å; E30-Q33 PolarHBondContact O-N 2.94Å; F31-Q33 VanDerWaalsContact C-N 3.27Å; F31-Q33 PolarHBondContact O-N 3.28Å; Q33-R36 PolarHBondContact O-N 3.3Å; Q33-H37 PolarHBondContact O-N 3.35Å; Q33-H37 VanDerWaalsContact O-N 3.08Å
34Q89.1Confident89Confident11 Ų1166.6 Ų66.65%0.05133%0.332CS..Hα-helixtrans-68.5-34.7177-63.4-55-35.100112.7P10 L13 L16 E30 F31 H37 Y38 L59 F62P10-Q34 PolarHBondContact O-NE2 2.88Å; L13-Q34 HydrophobicContact CD2-CG 4.14Å; L16-Q34 HydrophobicContact CD2-CG 4.12Å; E30-Q34 WeakPolarHBondContact O-CG 3.36Å; E30-Q34 PolarHBondContact O-N 3.4Å; F31-Q34 PolarHBondContact O-N 2.66Å; F31-Q34 VanDerWaalsContact O-N 3.15Å; Q34-H37 PolarHBondContact O-N 3.16Å; Q34-Y38 WeakPolarHBondContact O-CB 3.4Å; Q34-Y38 PolarHBondContact O-N 3.38Å; Q34-L59 HydrophobicContact CB-CD2 4.43Å; Q34-L59 VanDerWaalsContact OE1-CD2 3.27Å; Q34-F62 HydrophobicContact CB-CD1 4.43Å; Q34-F62 HydrophobicContact CB-CE1 3.92Å; Q34-F62 HydrophobicContact CG-CE1 4.12Å
35H89.9Confident89Confident18 Ų1864.9 Ų64.98%0.08332%0.321CS..Hα-helixtrans-64.4-42.7175.9-174.3-106.4000111.9F31 L32 Y38 Q39F31-H35 HydrophobicContact CZ-CB 4.48Å; F31-H35 WeakPolarHBondContact O-CB 3.28Å; F31-H35 PolarHBondContact O-N 3.43Å; L32-H35 PolarHBondContact O-N 3.45Å; H35-Y38 WeakPolarHBondContact O-CB 3.37Å; H35-Y38 PolarHBondContact O-N 3.34Å; H35-Q39 PolarHBondContact CE1-NE2 2.98Å; H35-Q39 VanDerWaalsContact CE1-NE2 3.28Å; H35-Q39 WeakPolarHBondContact O-CG 3.5Å; H35-Q39 PolarHBondContact O-N 2.89Å
36R90.9Very high89Confident163 Ų16361.7 Ų61.762%0.61530%0.301SS*.Hα-helixtrans-63.1-42.3173.3-70.2176.7-166.9167.35.9111.6L32 Q33 Y38 Q39 S40L32-R36 WeakPolarHBondContact O-CG 3.41Å; L32-R36 PolarHBondContact O-N 3.34Å; Q33-R36 PolarHBondContact O-N 3.3Å; R36-Y38 VanDerWaalsContact C-N 3.3Å; R36-Y38 PolarHBondContact O-N 2.89Å; R36-Q39 PolarHBondContact O-N 3.38Å; R36-S40 PolarHBondContact O-N 2.67Å; R36-S40 PolarHBondContact O-OG 3.12Å
37H90.9Very high88.8Confident79 Ų7965 Ų6537%0.36631%0.312SS..Hα-helixtrans-60.1-41.2175.7-176.4-150.1000111.9Q33 Q34 N41Q33-H37 PolarHBondContact O-N 3.35Å; Q33-H37 VanDerWaalsContact O-N 3.08Å; Q34-H37 PolarHBondContact O-N 3.16Å; H37-N41 PolarHBondContact CD2-ND2 3.49Å; H37-N41 VanDerWaalsContact CD2-ND2 3.32Å; H37-N41 PolarHBondContact NE2-ND2 3.39Å; H37-N41 WeakPolarHBondContact O-CB 3.41Å; H37-N41 PolarHBondContact O-N 3.41Å; H37-N41 PolarHBondContact O-ND2 2.95Å
38Y91Very high88.7Confident4 Ų467 Ų672%0.01632%0.323CS..Hα-helixtrans-60.3-48.7171.8165.4-102.7000112.2Q34 H35 R36 S40 N41 V42 L56 V60 L63 F77Q34-Y38 WeakPolarHBondContact O-CB 3.4Å; Q34-Y38 PolarHBondContact O-N 3.38Å; H35-Y38 WeakPolarHBondContact O-CB 3.37Å; H35-Y38 PolarHBondContact O-N 3.34Å; R36-Y38 VanDerWaalsContact C-N 3.3Å; R36-Y38 PolarHBondContact O-N 2.89Å; Y38-S40 PolarHBondContact O-N 3.44Å; Y38-N41 PolarHBondContact O-N 3.4Å; Y38-N41 VanDerWaalsContact O-N 3.15Å; Y38-V42 HydrophobicContact CD1-CG2 4.41Å; Y38-V42 HydrophobicContact CD2-CG2 3.87Å; Y38-V42 HydrophobicContact CE1-CG2 3.95Å; Y38-V42 HydrophobicContact CE2-CG2 3.32Å; Y38-V42 HydrophobicContact CG-CG2 4.39Å; Y38-V42 WeakPolarHBondContact O-CG2 3.3Å; Y38-V42 PolarHBondContact O-N 3.16Å; Y38-L56 HydrophobicContact CD2-CD1 3.77Å; Y38-L56 HydrophobicContact CE2-CD1 3.84Å; Y38-V60 HydrophobicContact CD2-CG2 4.02Å; Y38-V60 HydrophobicContact CE2-CG2 3.5Å; Y38-V60 VanDerWaalsContact CE2-CG2 3.5Å; Y38-L63 HydrophobicContact CD1-CD1 3.63Å; Y38-L63 HydrophobicContact CD2-CD1 3.91Å; Y38-L63 HydrophobicContact CE1-CD1 4.24Å; Y38-L63 HydrophobicContact CE2-CD1 4.49Å; Y38-L63 HydrophobicContact CG-CD1 3.43Å; Y38-L63 VanDerWaalsContact CG-CD1 3.43Å; Y38-F77 HydrophobicContact CD1-CD2 4.48Å; Y38-F77 AromaticContact CE1-CD2 3.64Å; Y38-F77 HydrophobicContact CE1-CD2 3.64Å; Y38-F77 AromaticContact CE1-CE2 3.96Å; Y38-F77 HydrophobicContact CE1-CE2 3.96Å; Y38-F77 HydrophobicContact CE2-CD2 4.38Å; Y38-F77 AromaticContact CE2-CE2 3.88Å; Y38-F77 HydrophobicContact CE2-CE2 3.88Å; Y38-F77 AromaticContact CZ-CD2 3.57Å; Y38-F77 AromaticContact CZ-CE2 3.52Å; Y38-F77 WeakPolarHBondContact OH-CD2 3.47Å
39Q90.6Very high88.3Confident88 Ų8866 Ų6641%0.41132%0.318SS..Hα-helixtrans-57.4-46.7179.6-72.5175.9-38.800111.9H35 R36 N41 V42 E43H35-Q39 PolarHBondContact CE1-NE2 2.98Å; H35-Q39 VanDerWaalsContact CE1-NE2 3.28Å; H35-Q39 WeakPolarHBondContact O-CG 3.5Å; H35-Q39 PolarHBondContact O-N 2.89Å; R36-Q39 PolarHBondContact O-N 3.38Å; Q39-N41 PolarHBondContact O-N 3.1Å; Q39-V42 PolarHBondContact O-N 3.2Å; Q39-E43 PolarHBondContact O-N 2.99Å
40S90.9Very high88Confident63 Ų6366 Ų6644%0.44132%0.318SS..Hα-helixtrans-61.4-42.3176.1-57.20000112.3R36 Y38 V42 E43 I44R36-S40 PolarHBondContact O-N 2.67Å; R36-S40 PolarHBondContact O-OG 3.12Å; Y38-S40 PolarHBondContact O-N 3.44Å; S40-V42 VanDerWaalsContact C-N 3.34Å; S40-V42 PolarHBondContact O-N 3.17Å; S40-E43 PolarHBondContact O-N 2.86Å; S40-I44 VanDerWaalsContact O-CG1 3.3Å; S40-I44 WeakPolarHBondContact O-CG1 3.35Å; S40-I44 PolarHBondContact O-N 2.89Å
41N88.3Confident87.7Confident17 Ų1769.3 Ų69.39%0.09133%0.331CS..Hα-helixtrans-67.5-32.7177.7-78-30.6000113H37 Y38 Q39 F45 L56 L59H37-N41 PolarHBondContact CD2-ND2 3.49Å; H37-N41 VanDerWaalsContact CD2-ND2 3.32Å; H37-N41 PolarHBondContact NE2-ND2 3.39Å; H37-N41 WeakPolarHBondContact O-CB 3.41Å; H37-N41 PolarHBondContact O-N 3.41Å; H37-N41 PolarHBondContact O-ND2 2.95Å; Y38-N41 PolarHBondContact O-N 3.4Å; Y38-N41 VanDerWaalsContact O-N 3.15Å; Q39-N41 PolarHBondContact O-N 3.1Å; N41-F45 VanDerWaalsContact O-CB 3.24Å; N41-F45 WeakPolarHBondContact O-CB 3.49Å; N41-F45 PolarHBondContact O-N 3.16Å; N41-L56 HydrophobicContact CB-CD1 4.06Å; N41-L59 WeakPolarHBondContact ND2-CD1 3.46Å
42V89.1Confident87.1Confident9 Ų972.2 Ų72.26%0.05536%0.355CS..Hα-helixtrans-67.2-42173.5168.60000111.3Y38 Q39 S40 F45 R46 L56 L84Y38-V42 HydrophobicContact CD1-CG2 4.41Å; Y38-V42 HydrophobicContact CD2-CG2 3.87Å; Y38-V42 HydrophobicContact CE1-CG2 3.95Å; Y38-V42 HydrophobicContact CE2-CG2 3.32Å; Y38-V42 HydrophobicContact CG-CG2 4.39Å; Y38-V42 WeakPolarHBondContact O-CG2 3.3Å; Y38-V42 PolarHBondContact O-N 3.16Å; Q39-V42 PolarHBondContact O-N 3.2Å; S40-V42 VanDerWaalsContact C-N 3.34Å; S40-V42 PolarHBondContact O-N 3.17Å; V42-F45 WeakPolarHBondContact O-CB 3.47Å; V42-F45 PolarHBondContact O-N 3.11Å; V42-R46 WeakPolarHBondContact O-CG 3.39Å; V42-R46 PolarHBondContact O-N 3.27Å; V42-L56 HydrophobicContact CG2-CD1 3.95Å; V42-L84 HydrophobicContact CG1-CD1 4.01Å; V42-L84 HydrophobicContact CG2-CD1 4.49Å
43E88.2Confident86.8Confident126 Ų12671.4 Ų71.459%0.58935%0.351SS*.Hα-helixtrans-63.5-43.9176.1-71.7177.5-17900111.7Q39 S40 F45 R46 L47Q39-E43 PolarHBondContact O-N 2.99Å; S40-E43 PolarHBondContact O-N 2.86Å; E43-F45 VanDerWaalsContact C-N 3.29Å; E43-F45 PolarHBondContact O-N 2.65Å; E43-R46 PolarHBondContact O-N 3.25Å; E43-L47 PolarHBondContact O-N 3.02Å
44I87.6Confident86.5Confident93 Ų9374 Ų7448%0.47736%0.361SS..Hα-helixtrans-59.7-43.5173.2-66165.3000110.4S40 R46 L47 Q48S40-I44 VanDerWaalsContact O-CG1 3.3Å; S40-I44 WeakPolarHBondContact O-CG1 3.35Å; S40-I44 PolarHBondContact O-N 2.89Å; I44-R46 PolarHBondContact O-N 2.79Å; I44-L47 WeakPolarHBondContact O-CB 3.48Å; I44-L47 PolarHBondContact O-N 3.17Å; I44-L47 VanDerWaalsContact O-N 3.16Å; I44-Q48 PolarHBondContact O-N 2.82Å
45F87.4Confident86.4Confident4 Ų477.8 Ų77.82%0.01838%0.381CS..Hα-helixtrans-64.2-37.8178.8-178.3-99.6000112.7N41 V42 E43 L47 Q48 P49 L56 L84 I92 L96N41-F45 VanDerWaalsContact O-CB 3.24Å; N41-F45 WeakPolarHBondContact O-CB 3.49Å; N41-F45 PolarHBondContact O-N 3.16Å; V42-F45 WeakPolarHBondContact O-CB 3.47Å; V42-F45 PolarHBondContact O-N 3.11Å; E43-F45 VanDerWaalsContact C-N 3.29Å; E43-F45 PolarHBondContact O-N 2.65Å; F45-L47 PolarHBondContact O-N 2.9Å; F45-Q48 CarbonylContact O-C 3.15Å; F45-Q48 PolarHBondContact O-N 3.43Å; F45-P49 HydrophobicContact CE1-CB 4.33Å; F45-P49 HydrophobicContact CE2-CB 4.46Å; F45-P49 WeakPolarHBondContact CE2-O 3.36Å; F45-P49 HydrophobicContact CZ-CB 4.14Å; F45-P49 VanDerWaalsContact O-CA 3.29Å; F45-P49 WeakPolarHBondContact O-CA 3.48Å; F45-L56 HydrophobicContact CB-CD2 3.89Å; F45-L56 HydrophobicContact CD2-CD2 4.06Å; F45-L56 HydrophobicContact CG-CD2 3.89Å; F45-L84 HydrophobicContact CD1-CD2 4.19Å; F45-L84 HydrophobicContact CE1-CD2 4.43Å; F45-I92 HydrophobicContact CE1-CD1 4.09Å; F45-I92 HydrophobicContact CE1-CG1 4.38Å; F45-I92 HydrophobicContact CZ-CB 4.45Å; F45-I92 HydrophobicContact CZ-CD1 3.89Å; F45-I92 HydrophobicContact CZ-CG1 3.82Å; F45-I92 HydrophobicContact CZ-CG2 4.1Å; F45-L96 HydrophobicContact CD2-CD2 4.17Å; F45-L96 HydrophobicContact CE2-CD2 3.55Å; F45-L96 HydrophobicContact CZ-CD2 4.04Å
46R86.3Confident86.3Confident104 Ų10476.9 Ų76.939%0.39238%0.377SS..Hα-helixtrans-61-31.3174.3-75.1175.9176.9-180-0.9112.3V42 E43 I44 L84V42-R46 WeakPolarHBondContact O-CG 3.39Å; V42-R46 PolarHBondContact O-N 3.27Å; E43-R46 PolarHBondContact O-N 3.25Å; I44-R46 PolarHBondContact O-N 2.79Å; R46-L84 HydrophobicContact CG-CD2 3.89Å
47L85.9Confident86.2Confident148 Ų14870 Ų7078%0.77536%0.355SS*.Hα-helixtrans-78.5-36175.5-63.1172.4000112.6E43 I44 F45E43-L47 PolarHBondContact O-N 3.02Å; I44-L47 WeakPolarHBondContact O-CB 3.48Å; I44-L47 PolarHBondContact O-N 3.17Å; I44-L47 VanDerWaalsContact O-N 3.16Å; F45-L47 PolarHBondContact O-N 2.9Å
48Q83.7Confident86.2Confident99 Ų9971.8 Ų71.846%0.46336%0.364SS..  trans-134.476.8-178.4-66.1-172.4-13.700111.9I44 F45 D50I44-Q48 PolarHBondContact O-N 2.82Å; F45-Q48 CarbonylContact O-C 3.15Å; F45-Q48 PolarHBondContact O-N 3.43Å; Q48-D50 VanDerWaalsContact C-N 3.28Å; Q48-D50 PolarHBondContact O-N 3.01Å
49P81.1Confident86.2Confident21 Ų2171.8 Ų71.814%0.13636%0.364CS..THydrogen-bonded Turntrans-75.8-11.5-173.228.5-35.4000114.7F45 Y88 I91F45-P49 HydrophobicContact CE1-CB 4.33Å; F45-P49 HydrophobicContact CE2-CB 4.46Å; F45-P49 WeakPolarHBondContact CE2-O 3.36Å; F45-P49 HydrophobicContact CZ-CB 4.14Å; F45-P49 VanDerWaalsContact O-CA 3.29Å; F45-P49 WeakPolarHBondContact O-CA 3.48Å; P49-Y88 HydrophobicContact CB-CD1 4Å; P49-Y88 HydrophobicContact CB-CE1 4.39Å; P49-Y88 HydrophobicContact CB-CG 4.11Å; P49-Y88 HydrophobicContact CG-CD1 3.99Å; P49-Y88 HydrophobicContact CG-CE1 4.09Å; P49-I91 HydrophobicContact CB-CG2 4.31Å; P49-I91 HydrophobicContact CG-CG2 4.14Å
50D79.4Confident86.3Confident125 Ų12567.6 Ų67.667%0.66834%0.344SS*.THydrogen-bonded Turntrans-84.1-17.5-177.6-167.635.6000113Q48 I91Q48-D50 VanDerWaalsContact C-N 3.28Å; Q48-D50 PolarHBondContact O-N 3.01Å; D50-I91 HydrophobicContact CB-CG2 4.17Å
51K81.7Confident86.3Confident128 Ų12866.8 Ų66.856%0.55733%0.334SS*.SBendtrans-84.9133.9-177.8-73.2-176.6-178.7170.90112N53K51-N53 PolarHBondContact O-N 3.4Å
52A76.5Confident86.5Confident61 Ų6166.2 Ų66.250%0.50433%0.331SS..  trans-58.112516800000110.6E93A52-E93 WeakPolarHBondContact CA-OE2 3.45Å; A52-E93 WeakPolarHBondContact CB-OE2 3.37Å
53N83.3Confident86.6Confident32 Ų3265.8 Ų65.817%0.17133%0.328CS..  trans-127.797175.8-168.3-20.5000110.1K51 D55 L56 A57K51-N53 PolarHBondContact O-N 3.4Å; N53-D55 PolarHBondContact OD1-N 3.12Å; N53-L56 HydrophobicContact CB-CB 3.9Å; N53-L56 PolarHBondContact OD1-N 2.92Å; N53-A57 PolarHBondContact O-N 2.93Å
54K85.3Confident86.7Confident161 Ų16159.8 Ų59.870%0.730%0.3SS*.Hα-helixtrans-67.3-39.2-179.7-67.6-176.5178.7-1800111.8L56 A57 E58K54-L56 VanDerWaalsContact C-N 3.31Å; K54-L56 PolarHBondContact O-N 3.49Å; K54-A57 WeakPolarHBondContact O-CB 3.43Å; K54-A57 PolarHBondContact O-N 3.26Å; K54-A57 VanDerWaalsContact O-N 3.1Å; K54-E58 PolarHBondContact O-N 2.71Å
55D86Confident86.8Confident90 Ų9057.6 Ų57.648%0.48129%0.288SS..Hα-helixtrans-63.3-41.4179.8-58-23000110.4N53 A57 E58 L59N53-D55 PolarHBondContact OD1-N 3.12Å; D55-A57 VanDerWaalsContact C-N 3.34Å; D55-A57 PolarHBondContact O-N 3.02Å; D55-E58 PolarHBondContact O-N 2.98Å; D55-L59 WeakPolarHBondContact O-CB 3.47Å; D55-L59 WeakPolarHBondContact O-CD1 3.47Å; D55-L59 WeakPolarHBondContact O-CG 3.32Å; D55-L59 PolarHBondContact O-N 2.93Å
56L88.5Confident87Confident0 Ų057.4 Ų57.40%029%0.287CS..Hα-helixtrans-62.3-39.8174.1-176.460000112.2Y38 N41 V42 F45 N53 K54 V60 L96 F100Y38-L56 HydrophobicContact CD2-CD1 3.77Å; Y38-L56 HydrophobicContact CE2-CD1 3.84Å; N41-L56 HydrophobicContact CB-CD1 4.06Å; V42-L56 HydrophobicContact CG2-CD1 3.95Å; F45-L56 HydrophobicContact CB-CD2 3.89Å; F45-L56 HydrophobicContact CD2-CD2 4.06Å; F45-L56 HydrophobicContact CG-CD2 3.89Å; N53-L56 HydrophobicContact CB-CB 3.9Å; N53-L56 PolarHBondContact OD1-N 2.92Å; K54-L56 VanDerWaalsContact C-N 3.31Å; K54-L56 PolarHBondContact O-N 3.49Å; L56-V60 HydrophobicContact CD1-CG2 4.14Å; L56-V60 HydrophobicContact CG-CG2 4.48Å; L56-V60 WeakPolarHBondContact O-CB 3.49Å; L56-V60 VanDerWaalsContact O-CG2 3.24Å; L56-V60 WeakPolarHBondContact O-CG2 3.29Å; L56-V60 PolarHBondContact O-N 3.08Å; L56-L96 HydrophobicContact CD2-CD2 4.42Å; L56-F100 HydrophobicContact CD2-CZ 3.99Å; L56-F100 HydrophobicContact CG-CE1 4.36Å; L56-F100 HydrophobicContact CG-CZ 4.26Å
57A88.9Confident87Confident18 Ų1852.7 Ų52.715%0.14927%0.27CS..Hα-helixtrans-62.2-45.9176.800000111.9N53 K54 D55 M61 L96 T99N53-A57 PolarHBondContact O-N 2.93Å; K54-A57 WeakPolarHBondContact O-CB 3.43Å; K54-A57 PolarHBondContact O-N 3.26Å; K54-A57 VanDerWaalsContact O-N 3.1Å; D55-A57 VanDerWaalsContact C-N 3.34Å; D55-A57 PolarHBondContact O-N 3.02Å; A57-M61 WeakPolarHBondContact O-CG 3.17Å; A57-M61 PolarHBondContact O-N 3.4Å; A57-M61 VanDerWaalsContact O-N 3.13Å; A57-L96 HydrophobicContact CB-CD1 3.75Å; A57-T99 HydrophobicContact CB-CG2 4.07Å
58E90.7Very high87.1Confident117 Ų11749.9 Ų49.955%0.54725%0.253SS..Hα-helixtrans-65.6-44178.4-67.9-174.9-175.600112L13 K54 D55 M61 F62L13-E58 HydrophobicContact CD1-CB 3.86Å; K54-E58 PolarHBondContact O-N 2.71Å; D55-E58 PolarHBondContact O-N 2.98Å; E58-M61 PolarHBondContact O-N 2.95Å; E58-F62 WeakPolarHBondContact O-CB 3.33Å; E58-F62 PolarHBondContact O-N 3.15Å
59L90.8Very high87.2Confident3 Ų346.8 Ų46.82%0.01624%0.242CC..Hα-helixtrans-61.8-44.5176.8-70.9167.9000111.8L13 Q34 N41 D55 M61 F62 L63L13-L59 HydrophobicContact CD1-CD2 4.32Å; L13-L59 HydrophobicContact CD2-CD2 4.44Å; Q34-L59 HydrophobicContact CB-CD2 4.43Å; Q34-L59 VanDerWaalsContact OE1-CD2 3.27Å; N41-L59 WeakPolarHBondContact ND2-CD1 3.46Å; D55-L59 WeakPolarHBondContact O-CB 3.47Å; D55-L59 WeakPolarHBondContact O-CD1 3.47Å; D55-L59 WeakPolarHBondContact O-CG 3.32Å; D55-L59 PolarHBondContact O-N 2.93Å; L59-M61 VanDerWaalsContact C-N 3.33Å; L59-M61 PolarHBondContact O-N 3.39Å; L59-F62 PolarHBondContact O-N 3.08Å; L59-L63 WeakPolarHBondContact O-CB 3.46Å; L59-L63 VanDerWaalsContact O-CG 3.3Å; L59-L63 WeakPolarHBondContact O-CG 3.4Å; L59-L63 PolarHBondContact O-N 3.24Å
60V92.1Very high87.5Confident0 Ų046.4 Ų46.40%024%0.238CC..Hα-helixtrans-62.3-41.8178.1166.20000111.4Y38 L56 S64 F77 L81 F100 A103Y38-V60 HydrophobicContact CD2-CG2 4.02Å; Y38-V60 HydrophobicContact CE2-CG2 3.5Å; Y38-V60 VanDerWaalsContact CE2-CG2 3.5Å; L56-V60 HydrophobicContact CD1-CG2 4.14Å; L56-V60 HydrophobicContact CG-CG2 4.48Å; L56-V60 WeakPolarHBondContact O-CB 3.49Å; L56-V60 VanDerWaalsContact O-CG2 3.24Å; L56-V60 WeakPolarHBondContact O-CG2 3.29Å; L56-V60 PolarHBondContact O-N 3.08Å; V60-S64 WeakPolarHBondContact O-CB 3.25Å; V60-S64 PolarHBondContact O-N 3.45Å; V60-S64 PolarHBondContact O-OG 2.93Å; V60-F77 HydrophobicContact CG1-CZ 4.2Å; V60-F77 HydrophobicContact CG2-CE2 4.44Å; V60-L81 HydrophobicContact CG1-CD1 4.05Å; V60-L81 HydrophobicContact CG1-CD2 4.1Å; V60-L81 HydrophobicContact CG2-CD2 4.02Å; V60-F100 HydrophobicContact CB-CD1 4.35Å; V60-F100 HydrophobicContact CB-CE1 4.29Å; V60-F100 HydrophobicContact CG1-CD1 3.89Å; V60-F100 HydrophobicContact CG1-CE1 4.3Å; V60-F100 HydrophobicContact CG2-CD1 4.21Å; V60-F100 HydrophobicContact CG2-CE1 3.79Å; V60-A103 HydrophobicContact CG1-CB 3.52Å
61M91.9Very high87.6Confident47 Ų4744.3 Ų44.323%0.23223%0.23CC..Hα-helixtrans-65.8-43.9175.6-74-58.4-54.700112A57 E58 L59 S64 Q65 T99 K102 A103A57-M61 WeakPolarHBondContact O-CG 3.17Å; A57-M61 PolarHBondContact O-N 3.4Å; A57-M61 VanDerWaalsContact O-N 3.13Å; E58-M61 PolarHBondContact O-N 2.95Å; L59-M61 VanDerWaalsContact C-N 3.33Å; L59-M61 PolarHBondContact O-N 3.39Å; M61-S64 PolarHBondContact O-N 2.88Å; M61-S64 PolarHBondContact O-OG 3.2Å; M61-Q65 VanDerWaalsContact O-CG 3.28Å; M61-Q65 WeakPolarHBondContact O-CG 3.22Å; M61-Q65 PolarHBondContact O-N 3.41Å; M61-Q65 VanDerWaalsContact O-N 3.13Å; M61-T99 HydrophobicContact CG-CG2 3.44Å; M61-T99 VanDerWaalsContact CG-CG2 3.44Å; M61-T99 HydrophobicContact SD-CG2 3.83Å; M61-K102 HydrophobicContact SD-CB 4.34Å; M61-A103 HydrophobicContact SD-CB 4.31Å
62F92.3Very high87.7Confident5 Ų546.2 Ų46.22%0.02224%0.241CC..Hα-helixtrans-57.9-52.1175.3169.3-100.8000111.8L13 L16 Q17 I20 F31 Q34 E58 L59 S64 Q65 V66L13-F62 HydrophobicContact CB-CB 4.37Å; L13-F62 HydrophobicContact CB-CD2 4.06Å; L13-F62 HydrophobicContact CB-CG 4.36Å; L13-F62 HydrophobicContact CD1-CB 4.33Å; L13-F62 HydrophobicContact CD2-CD1 4.26Å; L13-F62 HydrophobicContact CD2-CD2 4.22Å; L13-F62 HydrophobicContact CD2-CG 4.08Å; L16-F62 HydrophobicContact CB-CE2 4.23Å; L16-F62 HydrophobicContact CD2-CE2 4.09Å; L16-F62 HydrophobicContact CD2-CZ 3.71Å; L16-F62 HydrophobicContact CG-CE2 4.04Å; L16-F62 HydrophobicContact CG-CZ 3.99Å; Q17-F62 HydrophobicContact CB-CD2 4.06Å; Q17-F62 HydrophobicContact CB-CE2 4.05Å; I20-F62 HydrophobicContact CD1-CE2 4.08Å; I20-F62 HydrophobicContact CD1-CZ 3.6Å; F31-F62 HydrophobicContact CD2-CE1 4.43Å; Q34-F62 HydrophobicContact CB-CD1 4.43Å; Q34-F62 HydrophobicContact CB-CE1 3.92Å; Q34-F62 HydrophobicContact CG-CE1 4.12Å; E58-F62 WeakPolarHBondContact O-CB 3.33Å; E58-F62 PolarHBondContact O-N 3.15Å; L59-F62 PolarHBondContact O-N 3.08Å; F62-S64 PolarHBondContact O-N 3.45Å; F62-Q65 PolarHBondContact O-N 3.12Å; F62-Q65 VanDerWaalsContact O-N 3.16Å; F62-V66 HydrophobicContact CD2-CG2 4.31Å; F62-V66 HydrophobicContact CE2-CG2 3.97Å; F62-V66 HydrophobicContact CZ-CG2 4.16Å; F62-V66 WeakPolarHBondContact O-CG2 3.49Å; F62-V66 PolarHBondContact O-N 3.07Å; F62-V66 VanDerWaalsContact O-N 3.08Å
63L90.8Very high88.1Confident0 Ų046.7 Ų46.70%023%0.232CC..Hα-helixtrans-60.9-43.6-179.8-69.1179.8000111.7F31 Y38 L59 Q65 V66 A67 L74 F77F31-L63 HydrophobicContact CD2-CD2 4.3Å; F31-L63 HydrophobicContact CE2-CD2 3.53Å; F31-L63 HydrophobicContact CZ-CD2 4.2Å; Y38-L63 HydrophobicContact CD1-CD1 3.63Å; Y38-L63 HydrophobicContact CD2-CD1 3.91Å; Y38-L63 HydrophobicContact CE1-CD1 4.24Å; Y38-L63 HydrophobicContact CE2-CD1 4.49Å; Y38-L63 HydrophobicContact CG-CD1 3.43Å; Y38-L63 VanDerWaalsContact CG-CD1 3.43Å; L59-L63 WeakPolarHBondContact O-CB 3.46Å; L59-L63 VanDerWaalsContact O-CG 3.3Å; L59-L63 WeakPolarHBondContact O-CG 3.4Å; L59-L63 PolarHBondContact O-N 3.24Å; L63-Q65 VanDerWaalsContact C-N 3.28Å; L63-Q65 PolarHBondContact O-N 3.36Å; L63-V66 PolarHBondContact O-N 3.21Å; L63-A67 WeakPolarHBondContact O-CB 3.12Å; L63-A67 PolarHBondContact O-N 3.29Å; L63-L74 HydrophobicContact CD1-CD2 4.48Å; L63-L74 HydrophobicContact CD2-CD2 4.27Å; L63-F77 HydrophobicContact CB-CE1 4.14Å; L63-F77 HydrophobicContact CB-CE2 3.99Å; L63-F77 HydrophobicContact CB-CZ 3.7Å; L63-F77 HydrophobicContact CD1-CD2 4.19Å; L63-F77 HydrophobicContact CD1-CE2 3.82Å; L63-F77 HydrophobicContact CD1-CZ 4.39Å
64S90.8Very high88.2Confident0 Ų045.5 Ų45.50%023%0.226CC..Hα-helixtrans-60.9-36.9177.370.60000112.8V60 M61 F62 L106 K110V60-S64 WeakPolarHBondContact O-CB 3.25Å; V60-S64 PolarHBondContact O-N 3.45Å; V60-S64 PolarHBondContact O-OG 2.93Å; M61-S64 PolarHBondContact O-N 2.88Å; M61-S64 PolarHBondContact O-OG 3.2Å; F62-S64 PolarHBondContact O-N 3.45Å; S64-L106 WeakPolarHBondContact O-CD2 3.25Å; S64-K110 PolarHBondContact O-NZ 2.83Å; S64-K110 VanDerWaalsContact O-NZ 3.07Å
65Q90.3Very high88.1Confident47 Ų4742 Ų4222%0.2222%0.222CC..Hα-helixtrans-73.8-29.1179.6-72.5172.7-10.500113.1Q17 M61 F62 L63 H68 L106 K110Q17-Q65 HydrophobicContact CG-CB 4.3Å; M61-Q65 VanDerWaalsContact O-CG 3.28Å; M61-Q65 WeakPolarHBondContact O-CG 3.22Å; M61-Q65 PolarHBondContact O-N 3.41Å; M61-Q65 VanDerWaalsContact O-N 3.13Å; F62-Q65 PolarHBondContact O-N 3.12Å; F62-Q65 VanDerWaalsContact O-N 3.16Å; L63-Q65 VanDerWaalsContact C-N 3.28Å; L63-Q65 PolarHBondContact O-N 3.36Å; Q65-H68 PolarHBondContact O-CE1 3.01Å; Q65-H68 VanDerWaalsContact O-CE1 3.26Å; Q65-H68 PolarHBondContact O-ND1 3.07Å; Q65-L106 HydrophobicContact CG-CD1 3.85Å; Q65-L106 HydrophobicContact CG-CD2 4.38Å; Q65-K110 VanDerWaalsContact C-NZ 3.28Å; Q65-K110 PolarHBondContact O-NZ 3.06Å
66V90.2Very high88.1Confident0 Ų041 Ų410%022%0.219CC..Hα-helixtrans-91-19.1178.7177.50000112.2Q17 I20 F31 F62 L63 H68 C69 Y70Q17-V66 HydrophobicContact CG-CG2 4.16Å; I20-V66 HydrophobicContact CB-CG1 4.48Å; I20-V66 HydrophobicContact CD1-CG1 4.38Å; I20-V66 HydrophobicContact CD1-CG2 4.3Å; I20-V66 HydrophobicContact CG2-CG1 3.51Å; I20-V66 HydrophobicContact CG2-CG2 4.38Å; F31-V66 HydrophobicContact CD2-CG1 4.2Å; F31-V66 HydrophobicContact CE2-CG1 4.31Å; F62-V66 HydrophobicContact CD2-CG2 4.31Å; F62-V66 HydrophobicContact CE2-CG2 3.97Å; F62-V66 HydrophobicContact CZ-CG2 4.16Å; F62-V66 WeakPolarHBondContact O-CG2 3.49Å; F62-V66 PolarHBondContact O-N 3.07Å; F62-V66 VanDerWaalsContact O-N 3.08Å; L63-V66 PolarHBondContact O-N 3.21Å; V66-H68 VanDerWaalsContact C-N 3.27Å; V66-H68 PolarHBondContact O-N 2.99Å; V66-H68 PolarHBondContact O-ND1 3.06Å; V66-H68 VanDerWaalsContact O-ND1 3.14Å; V66-C69 HydrophobicContact CG1-CB 4.26Å; V66-C69 WeakPolarHBondContact O-CB 3.41Å; V66-C69 PolarHBondContact O-N 3.16Å; V66-Y70 HydrophobicContact CG1-CD2 3.42Å; V66-Y70 VanDerWaalsContact CG1-CD2 3.42Å; V66-Y70 HydrophobicContact CG1-CE2 3.6Å
67A87.8Confident88.1Confident4 Ų441 Ų413%0.03322%0.219CC..G310 helixtrans-44.9-38-171.600000117.6L63 C69 Y70 L74 L107 L112L63-A67 WeakPolarHBondContact O-CB 3.12Å; L63-A67 PolarHBondContact O-N 3.29Å; A67-C69 PolarHBondContact O-N 3.45Å; A67-Y70 CarbonylContact O-C 3.47Å; A67-Y70 PolarHBondContact O-N 2.67Å; A67-L74 HydrophobicContact CB-CD1 4Å; A67-L107 HydrophobicContact CB-CD2 3.37Å; A67-L112 HydrophobicContact CB-CD1 3.73Å
68H86.1Confident88.1Confident89 Ų8941.2 Ų41.241%0.41222%0.219SC..G310 helixtrans-61.4-25.4175.165.1-40.4000115.3Q65 V66 K110Q65-H68 PolarHBondContact O-CE1 3.01Å; Q65-H68 VanDerWaalsContact O-CE1 3.26Å; Q65-H68 PolarHBondContact O-ND1 3.07Å; V66-H68 VanDerWaalsContact C-N 3.27Å; V66-H68 PolarHBondContact O-N 2.99Å; V66-H68 PolarHBondContact O-ND1 3.06Å; V66-H68 VanDerWaalsContact O-ND1 3.14Å; H68-K110 HydrophobicContact CB-CD 4.34Å
69C86.6Confident88Confident35 Ų3544.6 Ų44.624%0.23623%0.227CC..G310 helixtrans-81.3-26.9179-60.40000112.1I20 P24 V66 A67I20-C69 HydrophobicContact CG2-CB 4.41Å; P24-C69 HydrophobicContact CB-CB 4.06Å; P24-C69 HydrophobicContact CG-CB 4.1Å; V66-C69 HydrophobicContact CG1-CB 4.26Å; V66-C69 WeakPolarHBondContact O-CB 3.41Å; V66-C69 PolarHBondContact O-N 3.16Å; A67-C69 PolarHBondContact O-N 3.45Å
70Y86.9Confident87.8Confident12 Ų1246.3 Ų46.35%0.04724%0.236CC..  trans-131.959-169.5-64.3-48.9000111.1I20 P24 Y27 V28 F31 V66 A67 Q72 Q73 L74I20-Y70 HydrophobicContact CG2-CE2 3.63Å; P24-Y70 HydrophobicContact CB-CE1 4.26Å; P24-Y70 WeakPolarHBondContact O-CE1 3.29Å; P24-Y70 PolarHBondContact O-OH 3.29Å; Y27-Y70 PolarHBondContact O-OH 3.16Å; V28-Y70 HydrophobicContact CG2-CE1 3.9Å; F31-Y70 HydrophobicContact CB-CD2 4.23Å; F31-Y70 HydrophobicContact CB-CE2 3.55Å; F31-Y70 AromaticContact CD1-CD2 3.57Å; F31-Y70 HydrophobicContact CD1-CD2 3.57Å; F31-Y70 AromaticContact CD1-CE2 3.74Å; F31-Y70 HydrophobicContact CD1-CE2 3.74Å; F31-Y70 HydrophobicContact CD1-CG 4.01Å; F31-Y70 AromaticContact CD2-CD2 3.44Å; F31-Y70 HydrophobicContact CD2-CD2 3.44Å; F31-Y70 VanDerWaalsContact CD2-CD2 3.44Å; F31-Y70 AromaticContact CD2-CE2 3.53Å; F31-Y70 HydrophobicContact CD2-CE2 3.53Å; F31-Y70 AromaticContact CE1-CD2 3.73Å; F31-Y70 HydrophobicContact CE1-CD2 3.73Å; F31-Y70 HydrophobicContact CE1-CE2 4.37Å; F31-Y70 AromaticContact CE1-CG 3.95Å; F31-Y70 HydrophobicContact CE1-CG 3.95Å; F31-Y70 AromaticContact CE2-CD2 3.6Å; F31-Y70 HydrophobicContact CE2-CD2 3.6Å; F31-Y70 HydrophobicContact CE2-CE2 4.18Å; F31-Y70 HydrophobicContact CE2-CG 4.47Å; F31-Y70 AromaticContact CG-CD2 3.43Å; F31-Y70 HydrophobicContact CG-CD2 3.43Å; F31-Y70 VanDerWaalsContact CG-CD2 3.43Å; F31-Y70 AromaticContact CG-CE2 3.28Å; F31-Y70 HydrophobicContact CG-CE2 3.28Å; F31-Y70 HydrophobicContact CG-CG 4.33Å; F31-Y70 AromaticContact CZ-CD2 3.75Å; F31-Y70 HydrophobicContact CZ-CD2 3.75Å; F31-Y70 HydrophobicContact CZ-CG 4.2Å; V66-Y70 HydrophobicContact CG1-CD2 3.42Å; V66-Y70 VanDerWaalsContact CG1-CD2 3.42Å; V66-Y70 HydrophobicContact CG1-CE2 3.6Å; A67-Y70 CarbonylContact O-C 3.47Å; A67-Y70 PolarHBondContact O-N 2.67Å; Y70-Q72 VanDerWaalsContact C-N 3.35Å; Y70-Q72 PolarHBondContact O-N 3.28Å; Y70-Q73 VanDerWaalsContact CB-OE1 3.24Å; Y70-L74 WeakPolarHBondContact O-CB 3.45Å; Y70-L74 PolarHBondContact O-N 3.31Å
71T83.1Confident87.7Confident82 Ų8246.3 Ų46.350%0.50324%0.236SC..THydrogen-bonded Turntrans-65.3-33.8-172.651.90000113.7S75 L112T71-S75 PolarHBondContact O-N 3.16Å; T71-L112 HydrophobicContact CG2-CD2 4.28Å
72Q83.8Confident87.5Confident167 Ų16744.8 Ų44.878%0.7823%0.23SC*.THydrogen-bonded Turntrans-70.2-48.4-179.5-66.4-179.3-5.100111.8Y70 L74 S75Y70-Q72 VanDerWaalsContact C-N 3.35Å; Y70-Q72 PolarHBondContact O-N 3.28Å; Q72-L74 VanDerWaalsContact C-N 3.34Å; Q72-L74 PolarHBondContact O-N 3.31Å; Q72-S75 PolarHBondContact O-OG 2.89Å; Q72-S75 VanDerWaalsContact O-OG 3.1Å
73Q83.2Confident87.3Confident71 Ų7149.5 Ų49.533%0.33225%0.252SS..THydrogen-bonded Turntrans-71.2-28.9-176.7-64.6126-23.600112.5F31 Y70F31-Q73 HydrophobicContact CE1-CB 4.06Å; Y70-Q73 VanDerWaalsContact CB-OE1 3.24Å
74L85.3Confident87.2Confident7 Ų749.7 Ų49.74%0.03725%0.253CS..THydrogen-bonded Turntrans-101.119.2-178.1-70.1168.3000114F31 L63 A67 Y70 Q72 T76 F77 P78F31-L74 HydrophobicContact CE2-CD1 3.87Å; F31-L74 HydrophobicContact CE2-CG 4.44Å; F31-L74 HydrophobicContact CZ-CD1 3.6Å; F31-L74 HydrophobicContact CZ-CD2 4.06Å; F31-L74 HydrophobicContact CZ-CG 3.73Å; L63-L74 HydrophobicContact CD1-CD2 4.48Å; L63-L74 HydrophobicContact CD2-CD2 4.27Å; A67-L74 HydrophobicContact CB-CD1 4Å; Y70-L74 WeakPolarHBondContact O-CB 3.45Å; Y70-L74 PolarHBondContact O-N 3.31Å; Q72-L74 VanDerWaalsContact C-N 3.34Å; Q72-L74 PolarHBondContact O-N 3.31Å; L74-T76 VanDerWaalsContact C-N 3.3Å; L74-T76 PolarHBondContact O-N 3.26Å; L74-F77 HydrophobicContact CB-CB 4.25Å; L74-F77 HydrophobicContact CD2-CB 3.82Å; L74-F77 HydrophobicContact CD2-CD1 4.49Å; L74-F77 HydrophobicContact CD2-CG 4.06Å; L74-F77 WeakPolarHBondContact O-CB 2.79Å; L74-F77 PolarHBondContact O-N 2.94Å; L74-P78 VanDerWaalsContact O-CD 3.24Å; L74-P78 WeakPolarHBondContact O-CD 3.37Å
75S83.3Confident87.1Confident88 Ų8849.7 Ų49.762%0.61525%0.253SS*.SBendtrans-63.1-33.4179.355.60000113.3T71 Q72T71-S75 PolarHBondContact O-N 3.16Å; Q72-S75 PolarHBondContact O-OG 2.89Å; Q72-S75 VanDerWaalsContact O-OG 3.1Å
76T86.9Confident86.9Confident68 Ų6851.5 Ų51.542%0.41726%0.258SS..SBendtrans-83.3-23.8178.661.30000113.3L74 R79 D80L74-T76 VanDerWaalsContact C-N 3.3Å; L74-T76 PolarHBondContact O-N 3.26Å; T76-R79 WeakPolarHBondContact O-CA 3.36Å; T76-R79 WeakPolarHBondContact O-CB 3.24Å; T76-R79 PolarHBondContact O-N 2.96Å; T76-D80 PolarHBondContact O-N 2.81Å; T76-D80 PolarHBondContact OG1-OD2 3.44Å
77F88.7Confident86.7Confident1 Ų154.6 Ų54.60%0.00428%0.279CS..Hα-helixtrans-55-46.5-172.5173-108.7000114.6Y38 V60 L63 L74 R79 D80 L81 L107Y38-F77 HydrophobicContact CD1-CD2 4.48Å; Y38-F77 AromaticContact CE1-CD2 3.64Å; Y38-F77 HydrophobicContact CE1-CD2 3.64Å; Y38-F77 AromaticContact CE1-CE2 3.96Å; Y38-F77 HydrophobicContact CE1-CE2 3.96Å; Y38-F77 HydrophobicContact CE2-CD2 4.38Å; Y38-F77 AromaticContact CE2-CE2 3.88Å; Y38-F77 HydrophobicContact CE2-CE2 3.88Å; Y38-F77 AromaticContact CZ-CD2 3.57Å; Y38-F77 AromaticContact CZ-CE2 3.52Å; Y38-F77 WeakPolarHBondContact OH-CD2 3.47Å; V60-F77 HydrophobicContact CG1-CZ 4.2Å; V60-F77 HydrophobicContact CG2-CE2 4.44Å; L63-F77 HydrophobicContact CB-CE1 4.14Å; L63-F77 HydrophobicContact CB-CE2 3.99Å; L63-F77 HydrophobicContact CB-CZ 3.7Å; L63-F77 HydrophobicContact CD1-CD2 4.19Å; L63-F77 HydrophobicContact CD1-CE2 3.82Å; L63-F77 HydrophobicContact CD1-CZ 4.39Å; L74-F77 HydrophobicContact CB-CB 4.25Å; L74-F77 HydrophobicContact CD2-CB 3.82Å; L74-F77 HydrophobicContact CD2-CD1 4.49Å; L74-F77 HydrophobicContact CD2-CG 4.06Å; L74-F77 WeakPolarHBondContact O-CB 2.79Å; L74-F77 PolarHBondContact O-N 2.94Å; F77-R79 VanDerWaalsContact C-N 3.28Å; F77-R79 PolarHBondContact O-N 3.47Å; F77-D80 PolarHBondContact O-N 3.47Å; F77-L81 HydrophobicContact CD1-CD1 4.37Å; F77-L81 HydrophobicContact CD2-CD1 4.46Å; F77-L81 HydrophobicContact CD2-CG 4.41Å; F77-L81 HydrophobicContact CE1-CD1 3.8Å; F77-L81 HydrophobicContact CE2-CD1 3.9Å; F77-L81 HydrophobicContact CE2-CD2 4.37Å; F77-L81 HydrophobicContact CE2-CG 4.09Å; F77-L81 HydrophobicContact CZ-CD1 3.55Å; F77-L81 HydrophobicContact CZ-CG 4.26Å; F77-L81 WeakPolarHBondContact O-CG 3.29Å; F77-L81 PolarHBondContact O-N 3.15Å; F77-L81 VanDerWaalsContact O-N 3.07Å; F77-L107 HydrophobicContact CD1-CD1 3.98Å; F77-L107 HydrophobicContact CE1-CD1 3.85Å
78P88Confident86.5Confident22 Ų2257.4 Ų57.414%0.14329%0.29CS..Hα-helixtrans-62.1-35.8176-21.231.5000113.3L74 S82 L107 I113L74-P78 VanDerWaalsContact O-CD 3.24Å; L74-P78 WeakPolarHBondContact O-CD 3.37Å; P78-S82 WeakPolarHBondContact O-CB 3.34Å; P78-S82 PolarHBondContact O-N 3.29Å; P78-S82 PolarHBondContact O-OG 3.3Å; P78-L107 HydrophobicContact CB-CD1 4.41Å; P78-L107 HydrophobicContact CG-CD1 4.18Å; P78-I113 HydrophobicContact CB-CD1 3.82Å; P78-I113 HydrophobicContact CB-CG1 3.91Å; P78-I113 HydrophobicContact CG-CD1 4.45Å; P78-I113 HydrophobicContact CG-CG1 4.26Å
79R88.3Confident86.1Confident189 Ų18955.1 Ų55.171%0.71328%0.279SS*.Hα-helixtrans-69.7-45.3179-176.1179.1177.4165.30.2110.4T76 F77 L81 S82 E83T76-R79 WeakPolarHBondContact O-CA 3.36Å; T76-R79 WeakPolarHBondContact O-CB 3.24Å; T76-R79 PolarHBondContact O-N 2.96Å; F77-R79 VanDerWaalsContact C-N 3.28Å; F77-R79 PolarHBondContact O-N 3.47Å; R79-L81 PolarHBondContact O-N 2.9Å; R79-S82 PolarHBondContact O-N 3.49Å; R79-S82 VanDerWaalsContact O-N 3.17Å; R79-E83 WeakPolarHBondContact O-CB 3.33Å; R79-E83 PolarHBondContact O-N 3.31Å
80D87.8Confident85.9Confident39 Ų3958.2 Ų58.221%0.20930%0.297CS..Hα-helixtrans-59.4-46.3177.9-64.2-31.7000111.2T76 F77 S82 E83 L84T76-D80 PolarHBondContact O-N 2.81Å; T76-D80 PolarHBondContact OG1-OD2 3.44Å; F77-D80 PolarHBondContact O-N 3.47Å; D80-S82 VanDerWaalsContact C-N 3.35Å; D80-S82 PolarHBondContact O-N 3.38Å; D80-E83 PolarHBondContact O-N 2.84Å; D80-L84 WeakPolarHBondContact O-CB 3.5Å; D80-L84 VanDerWaalsContact O-CG 3.22Å; D80-L84 WeakPolarHBondContact O-CG 3.45Å; D80-L84 PolarHBondContact O-N 2.86Å
81L89.1Confident85.8Confident0 Ų061.4 Ų61.40%031%0.314CS..Hα-helixtrans-62.8-40.4175.4-71.1-177.3000112.8V60 F77 R79 L85 F100 A103 L104V60-L81 HydrophobicContact CG1-CD1 4.05Å; V60-L81 HydrophobicContact CG1-CD2 4.1Å; V60-L81 HydrophobicContact CG2-CD2 4.02Å; F77-L81 HydrophobicContact CD1-CD1 4.37Å; F77-L81 HydrophobicContact CD2-CD1 4.46Å; F77-L81 HydrophobicContact CD2-CG 4.41Å; F77-L81 HydrophobicContact CE1-CD1 3.8Å; F77-L81 HydrophobicContact CE2-CD1 3.9Å; F77-L81 HydrophobicContact CE2-CD2 4.37Å; F77-L81 HydrophobicContact CE2-CG 4.09Å; F77-L81 HydrophobicContact CZ-CD1 3.55Å; F77-L81 HydrophobicContact CZ-CG 4.26Å; F77-L81 WeakPolarHBondContact O-CG 3.29Å; F77-L81 PolarHBondContact O-N 3.15Å; F77-L81 VanDerWaalsContact O-N 3.07Å; R79-L81 PolarHBondContact O-N 2.9Å; L81-L85 WeakPolarHBondContact O-CB 3.37Å; L81-L85 WeakPolarHBondContact O-CG 3.47Å; L81-L85 PolarHBondContact O-N 3.49Å; L81-L85 VanDerWaalsContact O-N 3.08Å; L81-F100 HydrophobicContact CD2-CD1 4.23Å; L81-F100 HydrophobicContact CD2-CE1 4.46Å; L81-F100 HydrophobicContact CD2-CG 4.33Å; L81-A103 HydrophobicContact CD1-CB 4.31Å; L81-L104 HydrophobicContact CB-CD2 4.02Å; L81-L104 HydrophobicContact CB-CG 4.41Å; L81-L104 HydrophobicContact CD1-CD2 4.22Å; L81-L104 HydrophobicContact CD1-CG 4.48Å
82S88.4Confident85.9Confident15 Ų1557.6 Ų57.611%0.10529%0.291CS..Hα-helixtrans-65.6-42.3178.7-60.90000111.3P78 R79 D80 L85 R86P78-S82 WeakPolarHBondContact O-CB 3.34Å; P78-S82 PolarHBondContact O-N 3.29Å; P78-S82 PolarHBondContact O-OG 3.3Å; R79-S82 PolarHBondContact O-N 3.49Å; R79-S82 VanDerWaalsContact O-N 3.17Å; D80-S82 VanDerWaalsContact C-N 3.35Å; D80-S82 PolarHBondContact O-N 3.38Å; S82-L85 PolarHBondContact O-N 2.83Å; S82-R86 VanDerWaalsContact O-CG 3.31Å; S82-R86 WeakPolarHBondContact O-CG 3.38Å; S82-R86 PolarHBondContact O-N 3.28Å
83E88.7Confident86Confident104 Ų10453 Ų5349%0.48627%0.269SS..Hα-helixtrans-66-46178-172.8172.2-174.100111.7R79 D80 L85 R86 S87R79-E83 WeakPolarHBondContact O-CB 3.33Å; R79-E83 PolarHBondContact O-N 3.31Å; D80-E83 PolarHBondContact O-N 2.84Å; E83-L85 VanDerWaalsContact C-N 3.28Å; E83-L85 PolarHBondContact O-N 3.24Å; E83-R86 PolarHBondContact O-N 3.37Å; E83-R86 VanDerWaalsContact O-N 3.1Å; E83-S87 PolarHBondContact O-N 3.31Å; E83-S87 PolarHBondContact O-OG 3.36Å
84L87.6Confident86.2Confident3 Ų353 Ų532%0.01628%0.275CS..Hα-helixtrans-58-40.8175.7-71.7171.3000112.2V42 F45 R46 D80 S87 Y88V42-L84 HydrophobicContact CG1-CD1 4.01Å; V42-L84 HydrophobicContact CG2-CD1 4.49Å; F45-L84 HydrophobicContact CD1-CD2 4.19Å; F45-L84 HydrophobicContact CE1-CD2 4.43Å; R46-L84 HydrophobicContact CG-CD2 3.89Å; D80-L84 WeakPolarHBondContact O-CB 3.5Å; D80-L84 VanDerWaalsContact O-CG 3.22Å; D80-L84 WeakPolarHBondContact O-CG 3.45Å; D80-L84 PolarHBondContact O-N 2.86Å; L84-S87 PolarHBondContact O-OG 2.89Å; L84-Y88 HydrophobicContact CD2-CD2 4.27Å; L84-Y88 HydrophobicContact CD2-CE2 4.22Å; L84-Y88 PolarHBondContact O-N 3.24Å; L84-Y88 VanDerWaalsContact O-N 3.09Å
85L88.4Confident86.3Confident0 Ų059.1 Ų59.10%030%0.304CS..Hα-helixtrans-66.8-46174.2-75.8171.3000111L81 S82 E83 S87 H89 I92 R97 F100 L104 L121 L125L81-L85 WeakPolarHBondContact O-CB 3.37Å; L81-L85 WeakPolarHBondContact O-CG 3.47Å; L81-L85 PolarHBondContact O-N 3.49Å; L81-L85 VanDerWaalsContact O-N 3.08Å; S82-L85 PolarHBondContact O-N 2.83Å; E83-L85 VanDerWaalsContact C-N 3.28Å; E83-L85 PolarHBondContact O-N 3.24Å; L85-S87 PolarHBondContact O-N 3.37Å; L85-H89 WeakPolarHBondContact O-CA 3.36Å; L85-H89 WeakPolarHBondContact O-CB 3.45Å; L85-H89 PolarHBondContact O-N 3.41Å; L85-I92 HydrophobicContact CD2-CD1 4.38Å; L85-R97 HydrophobicContact CD2-CG 4Å; L85-F100 HydrophobicContact CD1-CB 3.98Å; L85-F100 HydrophobicContact CD2-CB 4.06Å; L85-F100 HydrophobicContact CD2-CD2 4.08Å; L85-F100 HydrophobicContact CG-CB 4.18Å; L85-F100 HydrophobicContact CG-CD2 4.26Å; L85-L104 HydrophobicContact CD1-CD1 3.58Å; L85-L121 HydrophobicContact CB-CD1 4.27Å; L85-L121 HydrophobicContact CB-CD2 4.39Å; L85-L121 HydrophobicContact CD1-CD2 4.19Å; L85-L125 HydrophobicContact CB-CD2 4.48Å; L85-L125 HydrophobicContact CD1-CD1 4.23Å; L85-L125 HydrophobicContact CD2-CD1 4.49Å
86R86.8Confident86.6Confident85 Ų8555.1 Ų55.132%0.32128%0.275SS..Hα-helixtrans-62-38.9179-73.6178.7179.3-94.87.1113.1S82 E83 H89 L121 E124S82-R86 VanDerWaalsContact O-CG 3.31Å; S82-R86 WeakPolarHBondContact O-CG 3.38Å; S82-R86 PolarHBondContact O-N 3.28Å; E83-R86 PolarHBondContact O-N 3.37Å; E83-R86 VanDerWaalsContact O-N 3.1Å; R86-H89 PolarHBondContact O-CD2 3.48Å; R86-H89 VanDerWaalsContact O-CD2 3.3Å; R86-L121 HydrophobicContact CG-CD1 3.42Å; R86-L121 VanDerWaalsContact CG-CD1 3.42Å; R86-E124 IonicContact CZ-OE1 2.76Å; R86-E124 IonicContact CZ-OE2 2.7Å; R86-E124 IonicContact NH1-OE1 2.9Å; R86-E124 PolarHBondContact NH1-OE1 2.72Å; R86-E124 IonicContact NH1-OE2 3.56Å; R86-E124 PolarHBondContact NH1-OE2 2.98Å; R86-E124 IonicContact NH2-OE1 3.64Å
87S86.3Confident86.7Confident65 Ų6552.5 Ų52.546%0.45526%0.258SS..Hα-helixtrans-81.3-36.9-17660.60000113.3E83 L84 L85E83-S87 PolarHBondContact O-N 3.31Å; E83-S87 PolarHBondContact O-OG 3.36Å; L84-S87 PolarHBondContact O-OG 2.89Å; L85-S87 PolarHBondContact O-N 3.37Å
88Y82.4Confident86.8Confident64 Ų6453 Ų5325%0.25126%0.26SS..Hα-helixtrans-117.78.4-170-57-67.5000114.5P49 L84 T90 I91 I92P49-Y88 HydrophobicContact CB-CD1 4Å; P49-Y88 HydrophobicContact CB-CE1 4.39Å; P49-Y88 HydrophobicContact CB-CG 4.11Å; P49-Y88 HydrophobicContact CG-CD1 3.99Å; P49-Y88 HydrophobicContact CG-CE1 4.09Å; L84-Y88 HydrophobicContact CD2-CD2 4.27Å; L84-Y88 HydrophobicContact CD2-CE2 4.22Å; L84-Y88 PolarHBondContact O-N 3.24Å; L84-Y88 VanDerWaalsContact O-N 3.09Å; Y88-T90 PolarHBondContact O-N 3.23Å; Y88-I91 HydrophobicContact CD1-CD1 4.44Å; Y88-I91 PolarHBondContact O-N 2.88Å; Y88-I92 WeakPolarHBondContact O-CG1 3.49Å; Y88-I92 PolarHBondContact O-N 2.76Å; Y88-I92 VanDerWaalsContact O-N 3.1Å
89H78.8Confident86.9Confident40 Ų4052.8 Ų52.819%0.18526%0.259CS..THydrogen-bonded Turntrans-50.5-27-170.558.884.7000116.1L85 R86 R97 L125 C128L85-H89 WeakPolarHBondContact O-CA 3.36Å; L85-H89 WeakPolarHBondContact O-CB 3.45Å; L85-H89 PolarHBondContact O-N 3.41Å; R86-H89 PolarHBondContact O-CD2 3.48Å; R86-H89 VanDerWaalsContact O-CD2 3.3Å; H89-R97 PolarHBondContact O-NE 3.09Å; H89-R97 PolarHBondContact O-NH2 2.87Å; H89-L125 HydrophobicContact CB-CD2 3.42Å; H89-L125 VanDerWaalsContact CB-CD2 3.42Å; H89-C128 PolarHBondContact ND1-SG 3.03Å; H89-C128 VanDerWaalsContact ND1-SG 3.44Å; H89-C128 PolarHBondContact O-SG 3.43Å; H89-C128 VanDerWaalsContact O-SG 3.34Å
90T81.8Confident87.1Confident101 Ų10143.9 Ų43.962%0.6223%0.225SC*.THydrogen-bonded Turntrans-81.3-29.3175.346.40000113.9Y88 R97Y88-T90 PolarHBondContact O-N 3.23Å; T90-R97 PolarHBondContact O-NH2 3.33Å
91I85.3Confident87.3Confident79 Ų7942.1 Ų42.141%0.40522%0.216SC..THydrogen-bonded Turntrans-92-34.6-171-57169.9000111.4P49 D50 Y88 E93P49-I91 HydrophobicContact CB-CG2 4.31Å; P49-I91 HydrophobicContact CG-CG2 4.14Å; D50-I91 HydrophobicContact CB-CG2 4.17Å; Y88-I91 HydrophobicContact CD1-CD1 4.44Å; Y88-I91 PolarHBondContact O-N 2.88Å; I91-E93 PolarHBondContact O-N 3.44Å
92I84.9Confident87.4Confident2 Ų247.2 Ų47.21%0.0124%0.238CC..SBendtrans-57.1139.8-178.6-51.2-169.7000111.2F45 L85 Y88 L96 R97 F100F45-I92 HydrophobicContact CE1-CD1 4.09Å; F45-I92 HydrophobicContact CE1-CG1 4.38Å; F45-I92 HydrophobicContact CZ-CB 4.45Å; F45-I92 HydrophobicContact CZ-CD1 3.89Å; F45-I92 HydrophobicContact CZ-CG1 3.82Å; F45-I92 HydrophobicContact CZ-CG2 4.1Å; L85-I92 HydrophobicContact CD2-CD1 4.38Å; Y88-I92 WeakPolarHBondContact O-CG1 3.49Å; Y88-I92 PolarHBondContact O-N 2.76Å; Y88-I92 VanDerWaalsContact O-N 3.1Å; I92-L96 HydrophobicContact CG2-CB 3.98Å; I92-L96 HydrophobicContact CG2-CD2 4.06Å; I92-L96 HydrophobicContact CG2-CG 4.11Å; I92-R97 HydrophobicContact CB-CB 4.39Å; I92-R97 HydrophobicContact CG2-CB 4.06Å; I92-R97 VanDerWaalsContact O-CZ 3.23Å; I92-R97 PolarHBondContact O-NH2 3.14Å; I92-F100 HydrophobicContact CD1-CD2 4.3Å; I92-F100 HydrophobicContact CD1-CE2 4.15Å
93E86.6Confident87.6Confident69 Ų6946.5 Ų46.532%0.32223%0.233SC..  trans-53.8138170.7-172.6-176-161.300112A52 I91 E95 L96 R97A52-E93 WeakPolarHBondContact CA-OE2 3.45Å; A52-E93 WeakPolarHBondContact CB-OE2 3.37Å; I91-E93 PolarHBondContact O-N 3.44Å; E93-E95 VanDerWaalsContact C-N 3.3Å; E93-E95 PolarHBondContact O-N 3.01Å; E93-L96 HydrophobicContact CB-CB 4.42Å; E93-L96 PolarHBondContact O-N 3.33Å; E93-R97 WeakPolarHBondContact O-CB 2.77Å; E93-R97 PolarHBondContact O-N 3.01Å
94P87.3Confident87.8Confident72 Ų7241.5 Ų41.547%0.46821%0.21SC..Hα-helixtrans-53-39.3-178.8-28.735.7000115.4M98P94-M98 WeakPolarHBondContact O-CB 3.4Å; P94-M98 PolarHBondContact O-N 2.9Å
95E87.5Confident88Confident135 Ų13542.5 Ų42.563%0.63122%0.215SC*.Hα-helixtrans-70.3-44.5-178.7-173.7168.6-168.600112.2E93 M98 T99E93-E95 VanDerWaalsContact C-N 3.3Å; E93-E95 PolarHBondContact O-N 3.01Å; E95-M98 PolarHBondContact O-N 2.84Å; E95-T99 PolarHBondContact O-N 3.46Å; E95-T99 PolarHBondContact O-OG1 3.41Å
96L88.1Confident88.1Confident4 Ų444.4 Ų44.42%0.02123%0.225CC..Hα-helixtrans-65.1-42.4175.9-172.963000111.1F45 L56 A57 I92 E93 M98 T99 F100F45-L96 HydrophobicContact CD2-CD2 4.17Å; F45-L96 HydrophobicContact CE2-CD2 3.55Å; F45-L96 HydrophobicContact CZ-CD2 4.04Å; L56-L96 HydrophobicContact CD2-CD2 4.42Å; A57-L96 HydrophobicContact CB-CD1 3.75Å; I92-L96 HydrophobicContact CG2-CB 3.98Å; I92-L96 HydrophobicContact CG2-CD2 4.06Å; I92-L96 HydrophobicContact CG2-CG 4.11Å; E93-L96 HydrophobicContact CB-CB 4.42Å; E93-L96 PolarHBondContact O-N 3.33Å; L96-M98 VanDerWaalsContact C-N 3.34Å; L96-M98 PolarHBondContact O-N 3.28Å; L96-T99 WeakPolarHBondContact O-CB 3.33Å; L96-T99 PolarHBondContact O-N 2.96Å; L96-T99 VanDerWaalsContact O-N 3.09Å; L96-F100 HydrophobicContact CD1-CD1 4.24Å; L96-F100 HydrophobicContact CD1-CE1 3.48Å; L96-F100 VanDerWaalsContact CD1-CE1 3.48Å; L96-F100 HydrophobicContact CD1-CZ 3.73Å; L96-F100 HydrophobicContact CD2-CE2 4.46Å; L96-F100 HydrophobicContact CD2-CZ 3.99Å; L96-F100 HydrophobicContact CG-CD1 4.49Å; L96-F100 HydrophobicContact CG-CE1 3.86Å; L96-F100 HydrophobicContact CG-CE2 4.15Å; L96-F100 HydrophobicContact CG-CZ 3.67Å; L96-F100 PolarHBondContact O-N 3.12Å
97R89.8Confident88.2Confident14 Ų1440.4 Ų40.45%0.05321%0.21CC..Hα-helixtrans-58.6-44.5175-170.2-167.3-66.4121.9-0.6111.9L85 H89 T90 I92 E93 T99 F100 C101 L133L85-R97 HydrophobicContact CD2-CG 4Å; H89-R97 PolarHBondContact O-NE 3.09Å; H89-R97 PolarHBondContact O-NH2 2.87Å; T90-R97 PolarHBondContact O-NH2 3.33Å; I92-R97 HydrophobicContact CB-CB 4.39Å; I92-R97 HydrophobicContact CG2-CB 4.06Å; I92-R97 VanDerWaalsContact O-CZ 3.23Å; I92-R97 PolarHBondContact O-NH2 3.14Å; E93-R97 WeakPolarHBondContact O-CB 2.77Å; E93-R97 PolarHBondContact O-N 3.01Å; R97-T99 VanDerWaalsContact C-N 3.3Å; R97-T99 PolarHBondContact O-N 3.48Å; R97-F100 PolarHBondContact O-N 3.02Å; R97-C101 PolarHBondContact O-N 3.31Å; R97-C101 VanDerWaalsContact O-N 3.08Å; R97-C101 PolarHBondContact O-SG 2.78Å; R97-L133 HydrophobicContact CG-CD2 3.97Å
98M90.3Very high88.4Confident10 Ų1038.3 Ų38.35%0.04919%0.192CC..Hα-helixtrans-61.6-40.7175.2176.361.175.800111.4P94 E95 L96 C101 K102 L132 L133 T136P94-M98 WeakPolarHBondContact O-CB 3.4Å; P94-M98 PolarHBondContact O-N 2.9Å; E95-M98 PolarHBondContact O-N 2.84Å; L96-M98 VanDerWaalsContact C-N 3.34Å; L96-M98 PolarHBondContact O-N 3.28Å; M98-C101 PolarHBondContact O-N 2.87Å; M98-K102 HydrophobicContact CG-CD 4.2Å; M98-K102 WeakPolarHBondContact O-CG 3.36Å; M98-K102 PolarHBondContact O-N 3.18Å; M98-K102 HydrophobicContact SD-CD 4.46Å; M98-K102 HydrophobicContact SD-CG 4.27Å; M98-L132 HydrophobicContact CE-CD2 3.58Å; M98-L132 HydrophobicContact CE-CG 3.98Å; M98-L133 HydrophobicContact CE-CB 4.14Å; M98-L133 HydrophobicContact CE-CD1 4.02Å; M98-L133 HydrophobicContact SD-CD1 4.16Å; M98-T136 HydrophobicContact CE-CG2 4.47Å; M98-T136 HydrophobicContact SD-CG2 4.11Å
99T91.2Very high88.7Confident19 Ų1940.1 Ų40.112%0.11721%0.206CC..Hα-helixtrans-64.4-44179.4-56.90000111.6A57 M61 E95 L96 R97 C101 K102 A103A57-T99 HydrophobicContact CB-CG2 4.07Å; M61-T99 HydrophobicContact CG-CG2 3.44Å; M61-T99 VanDerWaalsContact CG-CG2 3.44Å; M61-T99 HydrophobicContact SD-CG2 3.83Å; E95-T99 PolarHBondContact O-N 3.46Å; E95-T99 PolarHBondContact O-OG1 3.41Å; L96-T99 WeakPolarHBondContact O-CB 3.33Å; L96-T99 PolarHBondContact O-N 2.96Å; L96-T99 VanDerWaalsContact O-N 3.09Å; R97-T99 VanDerWaalsContact C-N 3.3Å; R97-T99 PolarHBondContact O-N 3.48Å; T99-C101 VanDerWaalsContact C-N 3.34Å; T99-C101 PolarHBondContact O-N 3.21Å; T99-K102 PolarHBondContact O-N 3Å; T99-A103 WeakPolarHBondContact O-CB 3.46Å; T99-A103 PolarHBondContact O-N 3.36Å
100F91.3Very high89.1Confident1 Ų141.4 Ų41.40%0.00421%0.211CC..Hα-helixtrans-61.6-41.9174.7-66.3-4.7000111.9L56 V60 L81 L85 I92 L96 R97 A103 L104L56-F100 HydrophobicContact CD2-CZ 3.99Å; L56-F100 HydrophobicContact CG-CE1 4.36Å; L56-F100 HydrophobicContact CG-CZ 4.26Å; V60-F100 HydrophobicContact CB-CD1 4.35Å; V60-F100 HydrophobicContact CB-CE1 4.29Å; V60-F100 HydrophobicContact CG1-CD1 3.89Å; V60-F100 HydrophobicContact CG1-CE1 4.3Å; V60-F100 HydrophobicContact CG2-CD1 4.21Å; V60-F100 HydrophobicContact CG2-CE1 3.79Å; L81-F100 HydrophobicContact CD2-CD1 4.23Å; L81-F100 HydrophobicContact CD2-CE1 4.46Å; L81-F100 HydrophobicContact CD2-CG 4.33Å; L85-F100 HydrophobicContact CD1-CB 3.98Å; L85-F100 HydrophobicContact CD2-CB 4.06Å; L85-F100 HydrophobicContact CD2-CD2 4.08Å; L85-F100 HydrophobicContact CG-CB 4.18Å; L85-F100 HydrophobicContact CG-CD2 4.26Å; I92-F100 HydrophobicContact CD1-CD2 4.3Å; I92-F100 HydrophobicContact CD1-CE2 4.15Å; L96-F100 HydrophobicContact CD1-CD1 4.24Å; L96-F100 HydrophobicContact CD1-CE1 3.48Å; L96-F100 VanDerWaalsContact CD1-CE1 3.48Å; L96-F100 HydrophobicContact CD1-CZ 3.73Å; L96-F100 HydrophobicContact CD2-CE2 4.46Å; L96-F100 HydrophobicContact CD2-CZ 3.99Å; L96-F100 HydrophobicContact CG-CD1 4.49Å; L96-F100 HydrophobicContact CG-CE1 3.86Å; L96-F100 HydrophobicContact CG-CE2 4.15Å; L96-F100 HydrophobicContact CG-CZ 3.67Å; L96-F100 PolarHBondContact O-N 3.12Å; R97-F100 PolarHBondContact O-N 3.02Å; F100-A103 PolarHBondContact O-N 3.04Å; F100-L104 WeakPolarHBondContact O-CG 3.46Å; F100-L104 PolarHBondContact O-N 2.87Å
101C92.4Very high89.2Confident2 Ų242.7 Ų42.71%0.01421%0.214CC..Hα-helixtrans-63.2-43.8175.8-64.40000111.7R97 M98 T99 A103 L104 I105 L133 L137R97-C101 PolarHBondContact O-N 3.31Å; R97-C101 VanDerWaalsContact O-N 3.08Å; R97-C101 PolarHBondContact O-SG 2.78Å; M98-C101 PolarHBondContact O-N 2.87Å; T99-C101 VanDerWaalsContact C-N 3.34Å; T99-C101 PolarHBondContact O-N 3.21Å; C101-A103 VanDerWaalsContact C-N 3.34Å; C101-A103 PolarHBondContact O-N 2.64Å; C101-L104 PolarHBondContact O-N 2.84Å; C101-I105 WeakPolarHBondContact O-CB 3.25Å; C101-I105 WeakPolarHBondContact O-CG1 3.4Å; C101-I105 PolarHBondContact O-N 3.19Å; C101-L133 HydrophobicContact CB-CD1 4.11Å; C101-L137 HydrophobicContact CB-CD2 4.25Å
102K91.9Very high89.3Confident107 Ų10742.1 Ų42.147%0.46521%0.211SC..Hα-helixtrans-61.9-40.2175.6-74.8174.4179.3173.90112.4M61 M98 T99 I105 L106M61-K102 HydrophobicContact SD-CB 4.34Å; M98-K102 HydrophobicContact CG-CD 4.2Å; M98-K102 WeakPolarHBondContact O-CG 3.36Å; M98-K102 PolarHBondContact O-N 3.18Å; M98-K102 HydrophobicContact SD-CD 4.46Å; M98-K102 HydrophobicContact SD-CG 4.27Å; T99-K102 PolarHBondContact O-N 3Å; K102-I105 PolarHBondContact O-N 3.5Å; K102-L106 WeakPolarHBondContact O-CB 3.47Å; K102-L106 PolarHBondContact O-N 2.95Å
103A92.2Very high89.4Confident0 Ų042.9 Ų42.90%022%0.216CC..Hα-helixtrans-62.2-46.3176.300000111.4V60 M61 L81 T99 F100 C101 L106 L107V60-A103 HydrophobicContact CG1-CB 3.52Å; M61-A103 HydrophobicContact SD-CB 4.31Å; L81-A103 HydrophobicContact CD1-CB 4.31Å; T99-A103 WeakPolarHBondContact O-CB 3.46Å; T99-A103 PolarHBondContact O-N 3.36Å; F100-A103 PolarHBondContact O-N 3.04Å; C101-A103 VanDerWaalsContact C-N 3.34Å; C101-A103 PolarHBondContact O-N 2.64Å; A103-L106 PolarHBondContact O-N 3.36Å; A103-L107 WeakPolarHBondContact O-CG 3.47Å; A103-L107 PolarHBondContact O-N 3.42Å
104L92Very high89.4Confident0 Ų043.4 Ų43.40%022%0.221CC..Hα-helixtrans-63.9-40.3175.6-68.9174.5000112.7L81 L85 F100 C101 L106 L107 R108 I113 L118 L121 F122L81-L104 HydrophobicContact CB-CD2 4.02Å; L81-L104 HydrophobicContact CB-CG 4.41Å; L81-L104 HydrophobicContact CD1-CD2 4.22Å; L81-L104 HydrophobicContact CD1-CG 4.48Å; L85-L104 HydrophobicContact CD1-CD1 3.58Å; F100-L104 WeakPolarHBondContact O-CG 3.46Å; F100-L104 PolarHBondContact O-N 2.87Å; C101-L104 PolarHBondContact O-N 2.84Å; L104-L106 VanDerWaalsContact C-N 3.3Å; L104-L106 PolarHBondContact O-N 2.99Å; L104-L107 HydrophobicContact CD2-CD1 4.4Å; L104-L107 PolarHBondContact O-N 3.49Å; L104-R108 WeakPolarHBondContact O-CB 3.42Å; L104-R108 PolarHBondContact O-N 2.82Å; L104-I113 HydrophobicContact CD2-CD1 3.76Å; L104-L118 HydrophobicContact CB-CD1 3.76Å; L104-L118 HydrophobicContact CD1-CD1 4.06Å; L104-L118 HydrophobicContact CG-CD1 4.39Å; L104-L121 HydrophobicContact CD1-CD2 3.87Å; L104-F122 HydrophobicContact CB-CZ 4.31Å; L104-F122 HydrophobicContact CD1-CE1 4.43Å
105I91.9Very high89.4Confident23 Ų2340.4 Ų40.412%0.11820%0.201CC..Hα-helixtrans-58.7-42.9172.8-71.7169.5000110.9C101 K102 R108 N109 F122 H140C101-I105 WeakPolarHBondContact O-CB 3.25Å; C101-I105 WeakPolarHBondContact O-CG1 3.4Å; C101-I105 PolarHBondContact O-N 3.19Å; K102-I105 PolarHBondContact O-N 3.5Å; I105-R108 WeakPolarHBondContact O-CB 3.42Å; I105-R108 PolarHBondContact O-N 2.9Å; I105-N109 VanDerWaalsContact O-CG 3.28Å; I105-N109 PolarHBondContact O-N 2.82Å; I105-N109 PolarHBondContact O-ND2 2.9Å; I105-F122 HydrophobicContact CD1-CE2 4.45Å; I105-F122 HydrophobicContact CD1-CZ 4.38Å; I105-F122 HydrophobicContact CG1-CE2 3.82Å; I105-F122 HydrophobicContact CG1-CZ 3.7Å; I105-H140 HydrophobicContact CD1-CB 3.94Å; I105-H140 HydrophobicContact CG1-CB 4.48Å; I105-H140 WeakPolarHBondContact CG2-CD2 3.45Å; I105-H140 WeakPolarHBondContact CG2-NE2 3.39Å
106L90.9Very high89.4Confident41 Ų4135.5 Ų35.522%0.21518%0.18CC..Hα-helixtrans-67.7-40.3-180-172149.4000111.9S64 Q65 K102 A103 L104 R108 N109 K110S64-L106 WeakPolarHBondContact O-CD2 3.25Å; Q65-L106 HydrophobicContact CG-CD1 3.85Å; Q65-L106 HydrophobicContact CG-CD2 4.38Å; K102-L106 WeakPolarHBondContact O-CB 3.47Å; K102-L106 PolarHBondContact O-N 2.95Å; A103-L106 PolarHBondContact O-N 3.36Å; L104-L106 VanDerWaalsContact C-N 3.3Å; L104-L106 PolarHBondContact O-N 2.99Å; L106-R108 VanDerWaalsContact C-N 3.29Å; L106-N109 PolarHBondContact O-N 3.47Å; L106-K110 HydrophobicContact CD2-CD 4.05Å; L106-K110 WeakPolarHBondContact O-CG 3.24Å; L106-K110 PolarHBondContact O-N 2.75Å
107L90.3Very high89.3Confident1 Ų139.6 Ų39.61%0.00520%0.201CC..Hα-helixtrans-63.2-37.6173.4-69.4171.1000111.6A67 F77 P78 A103 L104 K110 D111 L112 I113A67-L107 HydrophobicContact CB-CD2 3.37Å; F77-L107 HydrophobicContact CD1-CD1 3.98Å; F77-L107 HydrophobicContact CE1-CD1 3.85Å; P78-L107 HydrophobicContact CB-CD1 4.41Å; P78-L107 HydrophobicContact CG-CD1 4.18Å; A103-L107 WeakPolarHBondContact O-CG 3.47Å; A103-L107 PolarHBondContact O-N 3.42Å; L104-L107 HydrophobicContact CD2-CD1 4.4Å; L104-L107 PolarHBondContact O-N 3.49Å; L107-K110 PolarHBondContact O-N 3.36Å; L107-D111 PolarHBondContact O-N 3.17Å; L107-L112 HydrophobicContact CD2-CD1 3.85Å; L107-L112 PolarHBondContact O-N 2.93Å; L107-L112 VanDerWaalsContact O-N 3.1Å; L107-I113 HydrophobicContact CB-CD1 3.45Å; L107-I113 VanDerWaalsContact CB-CD1 3.45Å; L107-I113 HydrophobicContact CB-CG1 3.9Å; L107-I113 HydrophobicContact CD1-CD1 3.88Å; L107-I113 HydrophobicContact CG-CD1 4.34Å
108R89.8Confident89.3Confident20 Ų2039 Ų398%0.07520%0.199CC..Hα-helixtrans-65-45.1175-179.366.6-169.8118.719.8112.7L104 I105 L106 K110 D111 I113 L118 D144L104-R108 WeakPolarHBondContact O-CB 3.42Å; L104-R108 PolarHBondContact O-N 2.82Å; I105-R108 WeakPolarHBondContact O-CB 3.42Å; I105-R108 PolarHBondContact O-N 2.9Å; L106-R108 VanDerWaalsContact C-N 3.29Å; R108-K110 PolarHBondContact O-N 2.85Å; R108-K110 VanDerWaalsContact O-N 3.07Å; R108-D111 IonicContact NH1-OD1 3.63Å; R108-D111 PolarHBondContact NH1-OD1 2.75Å; R108-D111 WeakPolarHBondContact O-CA 3.37Å; R108-D111 PolarHBondContact O-N 3.39Å; R108-I113 WeakPolarHBondContact CD-O 3.46Å; R108-I113 PolarHBondContact NH1-O 3.41Å; R108-L118 HydrophobicContact CB-CD2 3.51Å; R108-L118 HydrophobicContact CG-CD2 3.66Å; R108-D144 IonicContact NE-OD1 3.54Å; R108-D144 IonicContact NE-OD2 2.72Å; R108-D144 PolarHBondContact NE-OD2 2.92Å; R108-D144 IonicContact NH2-OD1 3.35Å
109N88.4Confident89.3Confident103 Ų10338.5 Ų38.555%0.55120%0.197SC*.Hα-helixtrans-61.9-16.7177.1-70.2-23.7000113.3I105 L106I105-N109 VanDerWaalsContact O-CG 3.28Å; I105-N109 PolarHBondContact O-N 2.82Å; I105-N109 PolarHBondContact O-ND2 2.9Å; L106-N109 PolarHBondContact O-N 3.47Å
110K86.9Confident89.2Confident67 Ų6740.5 Ų40.529%0.29121%0.205SC..THydrogen-bonded Turntrans-99.48.2173.9-64.8174.4174-1760113.1S64 Q65 H68 L106 L107 R108 L112S64-K110 PolarHBondContact O-NZ 2.83Å; S64-K110 VanDerWaalsContact O-NZ 3.07Å; Q65-K110 VanDerWaalsContact C-NZ 3.28Å; Q65-K110 PolarHBondContact O-NZ 3.06Å; H68-K110 HydrophobicContact CB-CD 4.34Å; L106-K110 HydrophobicContact CD2-CD 4.05Å; L106-K110 WeakPolarHBondContact O-CG 3.24Å; L106-K110 PolarHBondContact O-N 2.75Å; L107-K110 PolarHBondContact O-N 3.36Å; R108-K110 PolarHBondContact O-N 2.85Å; R108-K110 VanDerWaalsContact O-N 3.07Å; K110-L112 HydrophobicContact CB-CD1 4.27Å; K110-L112 HydrophobicContact CB-CG 4.16Å; K110-L112 HydrophobicContact CD-CD1 4.47Å; K110-L112 PolarHBondContact O-N 3.15Å
111D85.4Confident89.1Confident127 Ų12740.5 Ų40.568%0.67921%0.205SC*.THydrogen-bonded Turntrans56.428.5-178-67.4-50.1000115L107 R108L107-D111 PolarHBondContact O-N 3.17Å; R108-D111 IonicContact NH1-OD1 3.63Å; R108-D111 PolarHBondContact NH1-OD1 2.75Å; R108-D111 WeakPolarHBondContact O-CA 3.37Å; R108-D111 PolarHBondContact O-N 3.39Å
112L85.8Confident89Confident67 Ų6740.4 Ų40.435%0.35120%0.204SC..  trans-85.7-9.5176.4-62.7174.8000113.4A67 T71 L107 K110A67-L112 HydrophobicContact CB-CD1 3.73Å; T71-L112 HydrophobicContact CG2-CD2 4.28Å; L107-L112 HydrophobicContact CD2-CD1 3.85Å; L107-L112 PolarHBondContact O-N 2.93Å; L107-L112 VanDerWaalsContact O-N 3.1Å; K110-L112 HydrophobicContact CB-CD1 4.27Å; K110-L112 HydrophobicContact CB-CG 4.16Å; K110-L112 HydrophobicContact CD-CD1 4.47Å; K110-L112 PolarHBondContact O-N 3.15Å
113I87.8Confident88.7Confident19 Ų1935.3 Ų35.310%0.09718%0.182CC..SBendtrans-130.3137.7-177.8-55.1177.8000109.4P78 L104 L107 R108 L118P78-I113 HydrophobicContact CB-CD1 3.82Å; P78-I113 HydrophobicContact CB-CG1 3.91Å; P78-I113 HydrophobicContact CG-CD1 4.45Å; P78-I113 HydrophobicContact CG-CG1 4.26Å; L104-I113 HydrophobicContact CD2-CD1 3.76Å; L107-I113 HydrophobicContact CB-CD1 3.45Å; L107-I113 VanDerWaalsContact CB-CD1 3.45Å; L107-I113 HydrophobicContact CB-CG1 3.9Å; L107-I113 HydrophobicContact CD1-CD1 3.88Å; L107-I113 HydrophobicContact CG-CD1 4.34Å; R108-I113 WeakPolarHBondContact CD-O 3.46Å; R108-I113 PolarHBondContact NH1-O 3.41Å; I113-L118 HydrophobicContact CG2-CB 4.15Å
114D86.6Confident88.5Confident80 Ų8037.4 Ų37.443%0.42819%0.192SC..  trans-66.4131.5172.5-173.976.5000111.4T116 I117 L118D114-T116 VanDerWaalsContact C-N 3.26Å; D114-T116 PolarHBondContact O-N 3.11Å; D114-T116 WeakPolarHBondContact OD2-CB 3.27Å; D114-T116 PolarHBondContact OD2-N 2.93Å; D114-T116 PolarHBondContact OD2-OG1 3.22Å; D114-I117 HydrophobicContact CB-CD1 4.48Å; D114-L118 PolarHBondContact O-N 3.42Å
115P86.6Confident88.3Confident9 Ų937.5 Ų37.56%0.05819%0.192CC..Hα-helixtrans-62.1-31.1-176.219.3-28.4000113.5L119 I148 I157P115-L119 HydrophobicContact CB-CD1 4.41Å; P115-L119 VanDerWaalsContact O-CB 3.29Å; P115-L119 WeakPolarHBondContact O-CB 3.3Å; P115-L119 WeakPolarHBondContact O-CG 3.48Å; P115-L119 PolarHBondContact O-N 2.84Å; P115-I148 HydrophobicContact CB-CD1 3.71Å; P115-I148 HydrophobicContact CG-CD1 4.21Å; P115-I157 HydrophobicContact CG-CD1 3.83Å
116T87.5Confident88Confident32 Ų3236.4 Ų36.420%0.19619%0.186CC..Hα-helixtrans-66.8-51.4-172.465.50000110.8D114 L118 L119 E120 I157D114-T116 VanDerWaalsContact C-N 3.26Å; D114-T116 PolarHBondContact O-N 3.11Å; D114-T116 WeakPolarHBondContact OD2-CB 3.27Å; D114-T116 PolarHBondContact OD2-N 2.93Å; D114-T116 PolarHBondContact OD2-OG1 3.22Å; T116-L118 VanDerWaalsContact C-N 3.3Å; T116-L118 PolarHBondContact O-N 3.24Å; T116-L119 PolarHBondContact O-N 3.08Å; T116-E120 VanDerWaalsContact O-CG 3.3Å; T116-E120 WeakPolarHBondContact O-CG 3.5Å; T116-E120 PolarHBondContact O-N 3.02Å; T116-I157 HydrophobicContact CG2-CG1 4.45Å; T116-I157 HydrophobicContact CG2-CG2 4.42Å
117I86.8Confident87.8Confident90 Ų9038.9 Ų38.946%0.46219%0.193SC..Hα-helixtrans-61.3-40.4-179.8-57.4173.3000111.1D114 L121D114-I117 HydrophobicContact CB-CD1 4.48Å; I117-L121 PolarHBondContact O-N 3.28Å
118L89.8Confident87.5Confident0 Ų039 Ų390%019%0.194CC..Hα-helixtrans-70-45-179-176.964000112.4L104 R108 I113 D114 T116 L121 F122L104-L118 HydrophobicContact CB-CD1 3.76Å; L104-L118 HydrophobicContact CD1-CD1 4.06Å; L104-L118 HydrophobicContact CG-CD1 4.39Å; R108-L118 HydrophobicContact CB-CD2 3.51Å; R108-L118 HydrophobicContact CG-CD2 3.66Å; I113-L118 HydrophobicContact CG2-CB 4.15Å; D114-L118 PolarHBondContact O-N 3.42Å; T116-L118 VanDerWaalsContact C-N 3.3Å; T116-L118 PolarHBondContact O-N 3.24Å; L118-L121 WeakPolarHBondContact O-CB 3.47Å; L118-L121 PolarHBondContact O-N 3.47Å; L118-F122 HydrophobicContact CD1-CD1 4.22Å; L118-F122 HydrophobicContact CD1-CE1 3.59Å; L118-F122 HydrophobicContact CD1-CE2 3.91Å; L118-F122 HydrophobicContact CD1-CZ 3.42Å; L118-F122 VanDerWaalsContact CD1-CZ 3.42Å; L118-F122 HydrophobicContact CD2-CE2 3.89Å; L118-F122 HydrophobicContact CD2-CZ 4.05Å; L118-F122 HydrophobicContact CG-CD2 4.15Å; L118-F122 HydrophobicContact CG-CE1 4.25Å; L118-F122 HydrophobicContact CG-CE2 3.68Å; L118-F122 HydrophobicContact CG-CZ 3.75Å; L118-F122 WeakPolarHBondContact O-CG 3.19Å; L118-F122 PolarHBondContact O-N 3.1Å
119L88.9Confident87Confident0 Ų045.9 Ų45.90%023%0.227CC..Hα-helixtrans-66.5-41.2-179.6-70.6172.1000110.8P115 T116 L121 F122 F123 I141 I145 L161P115-L119 HydrophobicContact CB-CD1 4.41Å; P115-L119 VanDerWaalsContact O-CB 3.29Å; P115-L119 WeakPolarHBondContact O-CB 3.3Å; P115-L119 WeakPolarHBondContact O-CG 3.48Å; P115-L119 PolarHBondContact O-N 2.84Å; T116-L119 PolarHBondContact O-N 3.08Å; L119-L121 VanDerWaalsContact C-N 3.32Å; L119-L121 PolarHBondContact O-N 3.01Å; L119-F122 PolarHBondContact O-N 3.02Å; L119-F122 VanDerWaalsContact O-N 3.12Å; L119-F123 HydrophobicContact CB-CE2 4.23Å; L119-F123 WeakPolarHBondContact O-CD2 3.47Å; L119-F123 PolarHBondContact O-N 3.16Å; L119-I141 HydrophobicContact CD2-CB 4.33Å; L119-I141 HydrophobicContact CD2-CG1 3.94Å; L119-I141 HydrophobicContact CD2-CG2 4.33Å; L119-I145 HydrophobicContact CD1-CD1 4.49Å; L119-I145 HydrophobicContact CD1-CG1 4.05Å; L119-L161 HydrophobicContact CB-CD2 3.83Å; L119-L161 HydrophobicContact CD1-CD1 3.65Å; L119-L161 HydrophobicContact CD1-CD2 3.82Å; L119-L161 HydrophobicContact CD1-CG 4.38Å; L119-L161 HydrophobicContact CG-CD2 4.5Å
120E89.1Confident86.9Confident61 Ų6142.1 Ų42.129%0.28521%0.207SC..Hα-helixtrans-54.8-47.5172.7-73.8176.9-173.700111.6T116 F122 F123 E124 F164T116-E120 VanDerWaalsContact O-CG 3.3Å; T116-E120 WeakPolarHBondContact O-CG 3.5Å; T116-E120 PolarHBondContact O-N 3.02Å; E120-F122 PolarHBondContact O-N 3.11Å; E120-F123 PolarHBondContact O-N 3.23Å; E120-E124 PolarHBondContact O-N 3.48Å; E120-E124 VanDerWaalsContact O-N 3.09Å; E120-F164 HydrophobicContact CB-CE2 4.13Å; E120-F164 HydrophobicContact CB-CZ 4.25Å; E120-F164 HydrophobicContact CG-CD2 3.8Å; E120-F164 HydrophobicContact CG-CE2 3.86Å; E120-F164 HydrophobicContact CG-CG 4.17Å; E120-F164 HydrophobicContact CG-CZ 4.3Å
121L89.9Confident87Confident1 Ų147.2 Ų47.21%0.00523%0.228CC..Hα-helixtrans-58.8-46.5174.6176.760.6000111.9L85 R86 L104 I117 L118 L119 F123 E124 L125L85-L121 HydrophobicContact CB-CD1 4.27Å; L85-L121 HydrophobicContact CB-CD2 4.39Å; L85-L121 HydrophobicContact CD1-CD2 4.19Å; R86-L121 HydrophobicContact CG-CD1 3.42Å; R86-L121 VanDerWaalsContact CG-CD1 3.42Å; L104-L121 HydrophobicContact CD1-CD2 3.87Å; I117-L121 PolarHBondContact O-N 3.28Å; L118-L121 WeakPolarHBondContact O-CB 3.47Å; L118-L121 PolarHBondContact O-N 3.47Å; L119-L121 VanDerWaalsContact C-N 3.32Å; L119-L121 PolarHBondContact O-N 3.01Å; L121-F123 VanDerWaalsContact C-N 3.29Å; L121-F123 PolarHBondContact O-N 3.2Å; L121-E124 WeakPolarHBondContact O-CB 3.27Å; L121-E124 PolarHBondContact O-N 3.34Å; L121-L125 HydrophobicContact CD1-CD1 4.41Å; L121-L125 HydrophobicContact CD1-CG 4.29Å; L121-L125 HydrophobicContact CG-CD1 4.18Å; L121-L125 HydrophobicContact CG-CG 4.47Å; L121-L125 VanDerWaalsContact O-CG 3.31Å; L121-L125 WeakPolarHBondContact O-CG 3.4Å; L121-L125 PolarHBondContact O-N 3.42Å
122F90.3Very high87.3Confident0 Ų046.8 Ų46.80%023%0.226CC..Hα-helixtrans-64.2-33.6-179.1-71.1-11.1000113.1L104 I105 L118 L119 E120 L125 L126 L137 H140 I141L104-F122 HydrophobicContact CB-CZ 4.31Å; L104-F122 HydrophobicContact CD1-CE1 4.43Å; I105-F122 HydrophobicContact CD1-CE2 4.45Å; I105-F122 HydrophobicContact CD1-CZ 4.38Å; I105-F122 HydrophobicContact CG1-CE2 3.82Å; I105-F122 HydrophobicContact CG1-CZ 3.7Å; L118-F122 HydrophobicContact CD1-CD1 4.22Å; L118-F122 HydrophobicContact CD1-CE1 3.59Å; L118-F122 HydrophobicContact CD1-CE2 3.91Å; L118-F122 HydrophobicContact CD1-CZ 3.42Å; L118-F122 VanDerWaalsContact CD1-CZ 3.42Å; L118-F122 HydrophobicContact CD2-CE2 3.89Å; L118-F122 HydrophobicContact CD2-CZ 4.05Å; L118-F122 HydrophobicContact CG-CD2 4.15Å; L118-F122 HydrophobicContact CG-CE1 4.25Å; L118-F122 HydrophobicContact CG-CE2 3.68Å; L118-F122 HydrophobicContact CG-CZ 3.75Å; L118-F122 WeakPolarHBondContact O-CG 3.19Å; L118-F122 PolarHBondContact O-N 3.1Å; L119-F122 PolarHBondContact O-N 3.02Å; L119-F122 VanDerWaalsContact O-N 3.12Å; E120-F122 PolarHBondContact O-N 3.11Å; F122-L125 HydrophobicContact CD1-CD1 4.18Å; F122-L125 PolarHBondContact O-N 3.48Å; F122-L126 WeakPolarHBondContact O-CG 3.31Å; F122-L126 PolarHBondContact O-N 2.88Å; F122-L137 HydrophobicContact CB-CD2 4.23Å; F122-L137 HydrophobicContact CD1-CD2 3.74Å; F122-L137 HydrophobicContact CD2-CD2 4.15Å; F122-L137 HydrophobicContact CE1-CD2 4.03Å; F122-L137 HydrophobicContact CE2-CD2 4.42Å; F122-L137 HydrophobicContact CG-CD2 3.79Å; F122-L137 HydrophobicContact CZ-CD2 4.36Å; F122-H140 AromaticContact CD2-ND1 3.89Å; F122-H140 AromaticContact CE2-CE1 3.82Å; F122-H140 AromaticContact CE2-ND1 3.47Å; F122-H140 WeakPolarHBondContact CE2-ND1 3.46Å; F122-I141 HydrophobicContact CB-CD1 4.05Å; F122-I141 HydrophobicContact CB-CG1 4.24Å; F122-I141 HydrophobicContact CD2-CG1 4.41Å
123F86.5Confident87.5Confident0 Ų043.7 Ų43.70%021%0.209CC..Hα-helixtrans-68.6-40172.6-74.5-63.8000112.8L119 E120 L121 L125 L126 I141 F164 M165 M168L119-F123 HydrophobicContact CB-CE2 4.23Å; L119-F123 WeakPolarHBondContact O-CD2 3.47Å; L119-F123 PolarHBondContact O-N 3.16Å; E120-F123 PolarHBondContact O-N 3.23Å; L121-F123 VanDerWaalsContact C-N 3.29Å; L121-F123 PolarHBondContact O-N 3.2Å; F123-L125 VanDerWaalsContact C-N 3.28Å; F123-L125 PolarHBondContact O-N 2.88Å; F123-L126 HydrophobicContact CD1-CD1 3.74Å; F123-L126 HydrophobicContact CE1-CD1 4.36Å; F123-L126 VanDerWaalsContact O-CB 3.29Å; F123-L126 WeakPolarHBondContact O-CB 3.35Å; F123-L126 PolarHBondContact O-N 3.14Å; F123-L126 VanDerWaalsContact O-N 3.13Å; F123-I141 HydrophobicContact CD1-CD1 4.3Å; F123-I141 HydrophobicContact CE1-CD1 3.91Å; F123-I141 HydrophobicContact CE1-CG2 4.15Å; F123-I141 HydrophobicContact CE2-CG2 4.39Å; F123-I141 HydrophobicContact CZ-CD1 4.03Å; F123-I141 HydrophobicContact CZ-CG1 4.43Å; F123-I141 HydrophobicContact CZ-CG2 3.54Å; F123-F164 HydrophobicContact CB-CD1 4.42Å; F123-F164 HydrophobicContact CB-CE1 3.38Å; F123-F164 HydrophobicContact CB-CZ 4Å; F123-F164 AromaticContact CD2-CD1 3.86Å; F123-F164 HydrophobicContact CD2-CD1 3.86Å; F123-F164 AromaticContact CD2-CE1 3.6Å; F123-F164 HydrophobicContact CD2-CE1 3.6Å; F123-F164 HydrophobicContact CG-CD1 4.3Å; F123-F164 AromaticContact CG-CE1 3.69Å; F123-F164 HydrophobicContact CG-CE1 3.69Å; F123-M165 HydrophobicContact CD1-CE 4.3Å; F123-M165 HydrophobicContact CD1-SD 4.24Å; F123-M165 HydrophobicContact CE1-CE 3.29Å; F123-M165 HydrophobicContact CE1-SD 3.72Å; F123-M165 HydrophobicContact CE2-CE 3.67Å; F123-M165 HydrophobicContact CE2-SD 4.38Å; F123-M165 HydrophobicContact CZ-CE 2.94Å; F123-M165 HydrophobicContact CZ-SD 3.86Å; F123-M168 HydrophobicContact CB-CE 4.24Å; F123-M168 HydrophobicContact CB-CG 4.45Å; F123-M168 WeakPolarHBondContact O-CE 3.48Å
124E87.3Confident87.7Confident45 Ų4544.7 Ų44.721%0.2121%0.212CC..Hα-helixtrans-60.2-40.8172.9-71.6173-162.700111.2R86 E120 L121 L126 R127R86-E124 IonicContact CZ-OE1 2.76Å; R86-E124 IonicContact CZ-OE2 2.7Å; R86-E124 IonicContact NH1-OE1 2.9Å; R86-E124 PolarHBondContact NH1-OE1 2.72Å; R86-E124 IonicContact NH1-OE2 3.56Å; R86-E124 PolarHBondContact NH1-OE2 2.98Å; R86-E124 IonicContact NH2-OE1 3.64Å; E120-E124 PolarHBondContact O-N 3.48Å; E120-E124 VanDerWaalsContact O-N 3.09Å; L121-E124 WeakPolarHBondContact O-CB 3.27Å; L121-E124 PolarHBondContact O-N 3.34Å; E124-L126 PolarHBondContact O-N 2.93Å; E124-R127 VanDerWaalsContact O-CB 3.29Å; E124-R127 WeakPolarHBondContact O-CB 3.35Å; E124-R127 VanDerWaalsContact O-CG 3.3Å; E124-R127 WeakPolarHBondContact O-CG 3.34Å; E124-R127 PolarHBondContact O-N 3.32Å; E124-R127 VanDerWaalsContact O-N 3.12Å
125L88.2Confident87.9Confident1 Ų148.4 Ų48.41%0.00522%0.224CC..Hα-helixtrans-66.7-15.4177.2-68.2178000114L85 H89 L121 F122 F123 R127 C128 L137L85-L125 HydrophobicContact CB-CD2 4.48Å; L85-L125 HydrophobicContact CD1-CD1 4.23Å; L85-L125 HydrophobicContact CD2-CD1 4.49Å; H89-L125 HydrophobicContact CB-CD2 3.42Å; H89-L125 VanDerWaalsContact CB-CD2 3.42Å; L121-L125 HydrophobicContact CD1-CD1 4.41Å; L121-L125 HydrophobicContact CD1-CG 4.29Å; L121-L125 HydrophobicContact CG-CD1 4.18Å; L121-L125 HydrophobicContact CG-CG 4.47Å; L121-L125 VanDerWaalsContact O-CG 3.31Å; L121-L125 WeakPolarHBondContact O-CG 3.4Å; L121-L125 PolarHBondContact O-N 3.42Å; F122-L125 HydrophobicContact CD1-CD1 4.18Å; F122-L125 PolarHBondContact O-N 3.48Å; F123-L125 VanDerWaalsContact C-N 3.28Å; F123-L125 PolarHBondContact O-N 2.88Å; L125-R127 PolarHBondContact O-N 2.95Å; L125-C128 WeakPolarHBondContact O-CB 3.18Å; L125-C128 PolarHBondContact O-N 3.22Å; L125-C128 VanDerWaalsContact O-N 3.11Å; L125-L137 HydrophobicContact CB-CD1 3.75Å
126L85.7Confident88.2Confident0 Ų050.2 Ų50.20%024%0.235CC..THydrogen-bonded Turntrans-64.5-17.1172.2-63.2178000112.7F122 F123 E124 C128 R134 L137 A176 I179F122-L126 WeakPolarHBondContact O-CG 3.31Å; F122-L126 PolarHBondContact O-N 2.88Å; F123-L126 HydrophobicContact CD1-CD1 3.74Å; F123-L126 HydrophobicContact CE1-CD1 4.36Å; F123-L126 VanDerWaalsContact O-CB 3.29Å; F123-L126 WeakPolarHBondContact O-CB 3.35Å; F123-L126 PolarHBondContact O-N 3.14Å; F123-L126 VanDerWaalsContact O-N 3.13Å; E124-L126 PolarHBondContact O-N 2.93Å; L126-C128 PolarHBondContact O-N 3.29Å; L126-R134 HydrophobicContact CD2-CB 4.39Å; L126-R134 HydrophobicContact CD2-CG 4.16Å; L126-R134 WeakPolarHBondContact O-CD 3.35Å; L126-L137 HydrophobicContact CD2-CB 4.19Å; L126-L137 HydrophobicContact CD2-CD1 4.35Å; L126-A176 HydrophobicContact CB-CB 4.21Å; L126-I179 HydrophobicContact CD1-CB 4.18Å; L126-I179 HydrophobicContact CD1-CG2 3.77Å; L126-I179 HydrophobicContact CD2-CG2 4.08Å
127R85.7Confident88.4Confident93 Ų9348.7 Ų48.735%0.35123%0.226SC..THydrogen-bonded Turntrans-66.6-24.5174-65.4174.6172.7169.1-0.2112.5E124 L125 D171 N173 A176E124-R127 VanDerWaalsContact O-CB 3.29Å; E124-R127 WeakPolarHBondContact O-CB 3.35Å; E124-R127 VanDerWaalsContact O-CG 3.3Å; E124-R127 WeakPolarHBondContact O-CG 3.34Å; E124-R127 PolarHBondContact O-N 3.32Å; E124-R127 VanDerWaalsContact O-N 3.12Å; L125-R127 PolarHBondContact O-N 2.95Å; R127-D171 IonicContact CZ-OD2 3.25Å; R127-D171 VanDerWaalsContact CZ-OD2 3.23Å; R127-D171 IonicContact NE-OD2 2.66Å; R127-D171 PolarHBondContact NE-OD2 3.26Å; R127-D171 VanDerWaalsContact NH2-CG 3.28Å; R127-D171 IonicContact NH2-OD1 3.23Å; R127-D171 PolarHBondContact NH2-OD1 3.49Å; R127-D171 IonicContact NH2-OD2 2.63Å; R127-D171 PolarHBondContact NH2-OD2 3.34Å; R127-N173 HydrophobicContact CG-CB 4.44Å; R127-A176 HydrophobicContact CG-CB 4.13Å
128C84.1Confident88.7Confident3 Ų347.1 Ų47.12%0.0222%0.215CC..SBendtrans-67.3145.4-176.8-640000112.5H89 L125 L126 D130 R134H89-C128 PolarHBondContact ND1-SG 3.03Å; H89-C128 VanDerWaalsContact ND1-SG 3.44Å; H89-C128 PolarHBondContact O-SG 3.43Å; H89-C128 VanDerWaalsContact O-SG 3.34Å; L125-C128 WeakPolarHBondContact O-CB 3.18Å; L125-C128 PolarHBondContact O-N 3.22Å; L125-C128 VanDerWaalsContact O-N 3.11Å; L126-C128 PolarHBondContact O-N 3.29Å; C128-D130 PolarHBondContact O-N 2.86Å; C128-R134 PolarHBondContact O-NH1 3.32Å
129H80.2Confident88.9Confident166 Ų16650.7 Ų50.777%0.76924%0.237SC*.SBendtrans-80.439.3-178.3-66.8-76.7000114.3
130D86.3Confident89Confident24 Ų2451.7 Ų51.713%0.12824%0.241CC..  trans-116117.9177.9-177.7-12.1000111C128 L132 L133 R134C128-D130 PolarHBondContact O-N 2.86Å; D130-L132 WeakPolarHBondContact OD1-CB 3.4Å; D130-L132 PolarHBondContact OD1-N 3.23Å; D130-L133 HydrophobicContact CB-CB 3.82Å; D130-L133 PolarHBondContact OD1-N 2.94Å; D130-L133 VanDerWaalsContact OD1-N 3.16Å; D130-L133 WeakPolarHBondContact OD2-CB 3.49Å; D130-R134 WeakPolarHBondContact O-CB 3.36Å; D130-R134 VanDerWaalsContact O-CG 3.24Å; D130-R134 WeakPolarHBondContact O-CG 3.4Å; D130-R134 PolarHBondContact O-N 2.86Å; D130-R134 PolarHBondContact O-NE 3.18Å
131K88.7Confident89.2Confident173 Ų17348.8 Ų48.875%0.75223%0.228SC*.Hα-helixtrans-71-38.4-179.2-172.6-179.8178.4-176.30112.4K135K131-K135 PolarHBondContact O-N 3.27Å; K131-K135 VanDerWaalsContact O-N 3.16Å
132L91.1Very high89.3Confident119 Ų11948.8 Ų48.862%0.62323%0.228SC*.Hα-helixtrans-70.1-45-178.1-17495.8000109.9M98 D130 K135 T136M98-L132 HydrophobicContact CE-CD2 3.58Å; M98-L132 HydrophobicContact CE-CG 3.98Å; D130-L132 WeakPolarHBondContact OD1-CB 3.4Å; D130-L132 PolarHBondContact OD1-N 3.23Å; L132-K135 PolarHBondContact O-N 2.85Å; L132-T136 PolarHBondContact O-N 3.3Å; L132-T136 PolarHBondContact O-OG1 3.39Å
133L90.4Very high89.3Confident1 Ų151.4 Ų51.41%0.00524%0.244CC..Hα-helixtrans-58.3-52.6175.2-178.764.4000111.6R97 M98 C101 D130 K135 T136 L137R97-L133 HydrophobicContact CG-CD2 3.97Å; M98-L133 HydrophobicContact CE-CB 4.14Å; M98-L133 HydrophobicContact CE-CD1 4.02Å; M98-L133 HydrophobicContact SD-CD1 4.16Å; C101-L133 HydrophobicContact CB-CD1 4.11Å; D130-L133 HydrophobicContact CB-CB 3.82Å; D130-L133 PolarHBondContact OD1-N 2.94Å; D130-L133 VanDerWaalsContact OD1-N 3.16Å; D130-L133 WeakPolarHBondContact OD2-CB 3.49Å; L133-K135 VanDerWaalsContact C-N 3.29Å; L133-K135 PolarHBondContact O-N 3.05Å; L133-T136 WeakPolarHBondContact O-CB 3.38Å; L133-T136 PolarHBondContact O-N 2.98Å; L133-L137 HydrophobicContact CD1-CD1 4.07Å; L133-L137 HydrophobicContact CD1-CD2 4.32Å; L133-L137 HydrophobicContact CD1-CG 3.95Å; L133-L137 HydrophobicContact CD2-CD1 4.35Å; L133-L137 HydrophobicContact CG-CD1 3.83Å; L133-L137 HydrophobicContact CG-CG 4.11Å; L133-L137 WeakPolarHBondContact O-CG 3.39Å; L133-L137 PolarHBondContact O-N 3.34Å
134R91.6Very high89.5Confident41 Ų4151.8 Ų51.816%0.15525%0.246CC..Hα-helixtrans-58.5-39.3-179.5-72.6-177.6-52.6-129.6-0.8112.8L126 C128 D130 T136 Y138 I179L126-R134 HydrophobicContact CD2-CB 4.39Å; L126-R134 HydrophobicContact CD2-CG 4.16Å; L126-R134 WeakPolarHBondContact O-CD 3.35Å; C128-R134 PolarHBondContact O-NH1 3.32Å; D130-R134 WeakPolarHBondContact O-CB 3.36Å; D130-R134 VanDerWaalsContact O-CG 3.24Å; D130-R134 WeakPolarHBondContact O-CG 3.4Å; D130-R134 PolarHBondContact O-N 2.86Å; D130-R134 PolarHBondContact O-NE 3.18Å; R134-T136 VanDerWaalsContact C-N 3.34Å; R134-Y138 WeakPolarHBondContact O-CB 3.37Å; R134-Y138 PolarHBondContact O-N 2.87Å; R134-I179 HydrophobicContact CB-CD1 4.08Å; R134-I179 HydrophobicContact CG-CD1 4.2Å
135K91.9Very high89.6Confident157 Ų15749.7 Ų49.768%0.68324%0.236SC*.Hα-helixtrans-64.4-40.2175.8-173-179.8178.5-174.50111.8K131 L132 L133 T139K131-K135 PolarHBondContact O-N 3.27Å; K131-K135 VanDerWaalsContact O-N 3.16Å; L132-K135 PolarHBondContact O-N 2.85Å; L133-K135 VanDerWaalsContact C-N 3.29Å; L133-K135 PolarHBondContact O-N 3.05Å; K135-T139 WeakPolarHBondContact O-CB 3.48Å; K135-T139 PolarHBondContact O-N 3.16Å; K135-T139 VanDerWaalsContact O-N 3.09Å; K135-T139 PolarHBondContact O-OG1 2.91Å
136T92.1Very high89.7Confident48 Ų4854.8 Ų54.829%0.29426%0.258SS..Hα-helixtrans-68.1-48.1179-53.10000110.8M98 L132 L133 R134 T139 H140M98-T136 HydrophobicContact CE-CG2 4.47Å; M98-T136 HydrophobicContact SD-CG2 4.11Å; L132-T136 PolarHBondContact O-N 3.3Å; L132-T136 PolarHBondContact O-OG1 3.39Å; L133-T136 WeakPolarHBondContact O-CB 3.38Å; L133-T136 PolarHBondContact O-N 2.98Å; R134-T136 VanDerWaalsContact C-N 3.34Å; T136-T139 PolarHBondContact O-N 3.45Å; T136-H140 WeakPolarHBondContact O-CB 3.5Å; T136-H140 PolarHBondContact O-N 3.22Å
137L92.6Very high89.9Confident0 Ų059.2 Ų59.20%028%0.282CS..Hα-helixtrans-60.2-47176-66.6-179.7000111.4C101 F122 L125 L126 L133 T139 H140 I141C101-L137 HydrophobicContact CB-CD2 4.25Å; F122-L137 HydrophobicContact CB-CD2 4.23Å; F122-L137 HydrophobicContact CD1-CD2 3.74Å; F122-L137 HydrophobicContact CD2-CD2 4.15Å; F122-L137 HydrophobicContact CE1-CD2 4.03Å; F122-L137 HydrophobicContact CE2-CD2 4.42Å; F122-L137 HydrophobicContact CG-CD2 3.79Å; F122-L137 HydrophobicContact CZ-CD2 4.36Å; L125-L137 HydrophobicContact CB-CD1 3.75Å; L126-L137 HydrophobicContact CD2-CB 4.19Å; L126-L137 HydrophobicContact CD2-CD1 4.35Å; L133-L137 HydrophobicContact CD1-CD1 4.07Å; L133-L137 HydrophobicContact CD1-CD2 4.32Å; L133-L137 HydrophobicContact CD1-CG 3.95Å; L133-L137 HydrophobicContact CD2-CD1 4.35Å; L133-L137 HydrophobicContact CG-CD1 3.83Å; L133-L137 HydrophobicContact CG-CG 4.11Å; L133-L137 WeakPolarHBondContact O-CG 3.39Å; L133-L137 PolarHBondContact O-N 3.34Å; L137-T139 VanDerWaalsContact C-N 3.34Å; L137-T139 PolarHBondContact O-N 2.98Å; L137-H140 PolarHBondContact O-N 3.03Å; L137-I141 HydrophobicContact CB-CD1 4.46Å; L137-I141 WeakPolarHBondContact O-CB 3.4Å; L137-I141 WeakPolarHBondContact O-CD1 3.21Å; L137-I141 WeakPolarHBondContact O-CG1 3.46Å; L137-I141 PolarHBondContact O-N 3Å
138Y92.5Very high89.9Confident56 Ų5656.2 Ų56.222%0.2227%0.273CS..Hα-helixtrans-53.4-50.7175.6177.2-90000112.1R134 H140 I141 V142 I179 D182 V183 E186R134-Y138 WeakPolarHBondContact O-CB 3.37Å; R134-Y138 PolarHBondContact O-N 2.87Å; Y138-H140 VanDerWaalsContact C-N 3.33Å; Y138-H140 PolarHBondContact O-N 3.44Å; Y138-I141 PolarHBondContact O-N 3.41Å; Y138-V142 HydrophobicContact CE1-CG2 4.37Å; Y138-V142 WeakPolarHBondContact O-CG2 3.28Å; Y138-V142 PolarHBondContact O-N 3.01Å; Y138-V142 VanDerWaalsContact O-N 3.14Å; Y138-I179 HydrophobicContact CD2-CG2 3.76Å; Y138-D182 HydrophobicContact CE2-CB 3.86Å; Y138-V183 HydrophobicContact CD2-CG2 3.42Å; Y138-V183 VanDerWaalsContact CD2-CG2 3.42Å; Y138-V183 HydrophobicContact CE2-CB 4.4Å; Y138-V183 HydrophobicContact CE2-CG2 3.48Å; Y138-V183 VanDerWaalsContact CE2-CG2 3.48Å; Y138-V183 HydrophobicContact CG-CG2 4.46Å; Y138-E186 WeakPolarHBondContact CE1-OE2 3.4Å; Y138-E186 PolarHBondContact OH-OE2 3.4Å
139T93.1Very high90.1Very high76 Ų7657 Ų5747%0.46628%0.276SS..Hα-helixtrans-63.5-41.9-178.6-52.70000111K135 T136 L137 T143K135-T139 WeakPolarHBondContact O-CB 3.48Å; K135-T139 PolarHBondContact O-N 3.16Å; K135-T139 VanDerWaalsContact O-N 3.09Å; K135-T139 PolarHBondContact O-OG1 2.91Å; T136-T139 PolarHBondContact O-N 3.45Å; L137-T139 VanDerWaalsContact C-N 3.34Å; L137-T139 PolarHBondContact O-N 2.98Å; T139-T143 WeakPolarHBondContact O-CB 3.45Å; T139-T143 PolarHBondContact O-N 3.15Å; T139-T143 VanDerWaalsContact O-N 3.09Å; T139-T143 PolarHBondContact O-OG1 2.88Å
140H92.1Very high90.4Very high21 Ų2152.6 Ų52.610%0.09727%0.269CS..Hα-helixtrans-65.8-49.1178-179.9-89.6000112I105 F122 T136 L137 Y138 V142 T143 D144I105-H140 HydrophobicContact CD1-CB 3.94Å; I105-H140 HydrophobicContact CG1-CB 4.48Å; I105-H140 WeakPolarHBondContact CG2-CD2 3.45Å; I105-H140 WeakPolarHBondContact CG2-NE2 3.39Å; F122-H140 AromaticContact CD2-ND1 3.89Å; F122-H140 AromaticContact CE2-CE1 3.82Å; F122-H140 AromaticContact CE2-ND1 3.47Å; F122-H140 WeakPolarHBondContact CE2-ND1 3.46Å; T136-H140 WeakPolarHBondContact O-CB 3.5Å; T136-H140 PolarHBondContact O-N 3.22Å; L137-H140 PolarHBondContact O-N 3.03Å; Y138-H140 VanDerWaalsContact C-N 3.33Å; Y138-H140 PolarHBondContact O-N 3.44Å; H140-V142 VanDerWaalsContact C-N 3.32Å; H140-V142 PolarHBondContact O-N 3.46Å; H140-T143 CarbonylContact O-C 3.6Å; H140-T143 PolarHBondContact O-N 3.13Å; H140-D144 WeakPolarHBondContact O-CB 2.98Å; H140-D144 PolarHBondContact O-N 3.45Å
141I92.3Very high90.3Very high0 Ų061.4 Ų61.40%031%0.306CS..Hα-helixtrans-53.3-50.3179.1-71.9163.3000110.5L119 F122 F123 L137 Y138 T143 I145 V183L119-I141 HydrophobicContact CD2-CB 4.33Å; L119-I141 HydrophobicContact CD2-CG1 3.94Å; L119-I141 HydrophobicContact CD2-CG2 4.33Å; F122-I141 HydrophobicContact CB-CD1 4.05Å; F122-I141 HydrophobicContact CB-CG1 4.24Å; F122-I141 HydrophobicContact CD2-CG1 4.41Å; F123-I141 HydrophobicContact CD1-CD1 4.3Å; F123-I141 HydrophobicContact CE1-CD1 3.91Å; F123-I141 HydrophobicContact CE1-CG2 4.15Å; F123-I141 HydrophobicContact CE2-CG2 4.39Å; F123-I141 HydrophobicContact CZ-CD1 4.03Å; F123-I141 HydrophobicContact CZ-CG1 4.43Å; F123-I141 HydrophobicContact CZ-CG2 3.54Å; L137-I141 HydrophobicContact CB-CD1 4.46Å; L137-I141 WeakPolarHBondContact O-CB 3.4Å; L137-I141 WeakPolarHBondContact O-CD1 3.21Å; L137-I141 WeakPolarHBondContact O-CG1 3.46Å; L137-I141 PolarHBondContact O-N 3Å; Y138-I141 PolarHBondContact O-N 3.41Å; I141-T143 VanDerWaalsContact C-N 3.31Å; I141-T143 PolarHBondContact O-N 3.42Å; I141-I145 HydrophobicContact CG2-CD1 3.84Å; I141-I145 WeakPolarHBondContact O-CB 3.47Å; I141-I145 VanDerWaalsContact O-CG1 3.27Å; I141-I145 WeakPolarHBondContact O-CG1 3.45Å; I141-I145 PolarHBondContact O-N 3.36Å; I141-V183 HydrophobicContact CG2-CG1 3.84Å; I141-V183 HydrophobicContact CG2-CG2 4.43Å
142V92.1Very high90Very high1 Ų159 Ų591%0.00630%0.297CS..Hα-helixtrans-64.4-37.6179.91750000111.5Y138 H140 K146 V183 E186 L187Y138-V142 HydrophobicContact CE1-CG2 4.37Å; Y138-V142 WeakPolarHBondContact O-CG2 3.28Å; Y138-V142 PolarHBondContact O-N 3.01Å; Y138-V142 VanDerWaalsContact O-N 3.14Å; H140-V142 VanDerWaalsContact C-N 3.32Å; H140-V142 PolarHBondContact O-N 3.46Å; V142-K146 VanDerWaalsContact O-CB 3.3Å; V142-K146 WeakPolarHBondContact O-CB 3.32Å; V142-K146 PolarHBondContact O-N 3Å; V142-K146 VanDerWaalsContact O-N 3.12Å; V142-V183 HydrophobicContact CG2-CG1 4.26Å; V142-V183 HydrophobicContact CG2-CG2 4.35Å; V142-E186 HydrophobicContact CG1-CG 4.02Å; V142-L187 HydrophobicContact CG1-CD2 4.42Å
143T91.6Very high89.5Confident55 Ų5557.6 Ų57.634%0.33729%0.286SS..Hα-helixtrans-73.8-42.3-179-55.40000112T139 H140 I141 K146 N147T139-T143 WeakPolarHBondContact O-CB 3.45Å; T139-T143 PolarHBondContact O-N 3.15Å; T139-T143 VanDerWaalsContact O-N 3.09Å; T139-T143 PolarHBondContact O-OG1 2.88Å; H140-T143 CarbonylContact O-C 3.6Å; H140-T143 PolarHBondContact O-N 3.13Å; I141-T143 VanDerWaalsContact C-N 3.31Å; I141-T143 PolarHBondContact O-N 3.42Å; T143-K146 WeakPolarHBondContact O-CB 3.35Å; T143-K146 PolarHBondContact O-N 2.94Å; T143-N147 WeakPolarHBondContact O-CB 3.43Å; T143-N147 PolarHBondContact O-N 3.01Å; T143-N147 PolarHBondContact O-ND2 3.14Å; T143-N147 PolarHBondContact O-OD1 3.28Å
144D90.1Very high89.3Confident8 Ų859.6 Ų59.64%0.04330%0.297CS..Hα-helixtrans-65.4-46.4178.6-16831.5000110.4R108 H140 K146 N147 I148R108-D144 IonicContact NE-OD1 3.54Å; R108-D144 IonicContact NE-OD2 2.72Å; R108-D144 PolarHBondContact NE-OD2 2.92Å; R108-D144 IonicContact NH2-OD1 3.35Å; H140-D144 WeakPolarHBondContact O-CB 2.98Å; H140-D144 PolarHBondContact O-N 3.45Å; D144-K146 VanDerWaalsContact C-N 3.27Å; D144-K146 PolarHBondContact O-N 3.04Å; D144-N147 PolarHBondContact O-N 2.78Å; D144-N147 VanDerWaalsContact O-N 3.07Å; D144-I148 VanDerWaalsContact O-CG1 3.24Å; D144-I148 WeakPolarHBondContact O-CG1 3.37Å; D144-I148 PolarHBondContact O-N 3.32Å
145I89.5Confident89Confident1 Ų162.4 Ų62.41%0.00532%0.315CS..Hα-helixtrans-61.1-37.6175.2-65169.2000111.3L119 I141 N149 L161 L187 I192 W193L119-I145 HydrophobicContact CD1-CD1 4.49Å; L119-I145 HydrophobicContact CD1-CG1 4.05Å; I141-I145 HydrophobicContact CG2-CD1 3.84Å; I141-I145 WeakPolarHBondContact O-CB 3.47Å; I141-I145 VanDerWaalsContact O-CG1 3.27Å; I141-I145 WeakPolarHBondContact O-CG1 3.45Å; I141-I145 PolarHBondContact O-N 3.36Å; I145-N149 PolarHBondContact O-N 2.92Å; I145-N149 PolarHBondContact O-ND2 2.94Å; I145-L161 HydrophobicContact CD1-CD1 4.11Å; I145-L161 HydrophobicContact CG1-CD1 4.1Å; I145-L187 HydrophobicContact CB-CD2 4.02Å; I145-L187 HydrophobicContact CD1-CD1 3.77Å; I145-L187 HydrophobicContact CG2-CD1 4.1Å; I145-L187 HydrophobicContact CG2-CD2 3.67Å; I145-I192 HydrophobicContact CG2-CG2 4.29Å; I145-W193 HydrophobicContact CD1-CH2 4.39Å; I145-W193 HydrophobicContact CD1-CZ2 4.16Å; I145-W193 HydrophobicContact CG2-CZ2 4.31Å
146K89.9Confident88.8Confident107 Ų10763 Ų6347%0.46532%0.318SS..Hα-helixtrans-63.2-45173.3179.8-177.8175.2-175.80111.7V142 T143 D144 N149 A150 I192V142-K146 VanDerWaalsContact O-CB 3.3Å; V142-K146 WeakPolarHBondContact O-CB 3.32Å; V142-K146 PolarHBondContact O-N 3Å; V142-K146 VanDerWaalsContact O-N 3.12Å; T143-K146 WeakPolarHBondContact O-CB 3.35Å; T143-K146 PolarHBondContact O-N 2.94Å; D144-K146 VanDerWaalsContact C-N 3.27Å; D144-K146 PolarHBondContact O-N 3.04Å; K146-N149 CarbonylContact O-C 3.59Å; K146-N149 PolarHBondContact O-N 3.27Å; K146-A150 PolarHBondContact O-N 3.12Å; K146-I192 HydrophobicContact CB-CD1 3.82Å; K146-I192 HydrophobicContact CG-CD1 4.13Å
147N89.2Confident88.5Confident93 Ų9361.8 Ų61.850%0.49731%0.309SS..Hα-helixtrans-67.5-40.5-178.8-69.3-15.3000111.9T143 D144 N149 A150T143-N147 WeakPolarHBondContact O-CB 3.43Å; T143-N147 PolarHBondContact O-N 3.01Å; T143-N147 PolarHBondContact O-ND2 3.14Å; T143-N147 PolarHBondContact O-OD1 3.28Å; D144-N147 PolarHBondContact O-N 2.78Å; D144-N147 VanDerWaalsContact O-N 3.07Å; N147-N149 PolarHBondContact O-N 3.02Å; N147-A150 VanDerWaalsContact O-CB 3.29Å; N147-A150 WeakPolarHBondContact O-CB 3.36Å; N147-A150 PolarHBondContact O-N 2.9Å; N147-A150 VanDerWaalsContact O-N 3.16Å
148I87.4Confident88.2Confident31 Ų3161.9 Ų61.916%0.15931%0.31CS..Hα-helixtrans-58.1-39.7174.5-68.1164.3000110.8P115 D144 N154 I157P115-I148 HydrophobicContact CB-CD1 3.71Å; P115-I148 HydrophobicContact CG-CD1 4.21Å; D144-I148 VanDerWaalsContact O-CG1 3.24Å; D144-I148 WeakPolarHBondContact O-CG1 3.37Å; D144-I148 PolarHBondContact O-N 3.32Å; I148-N154 HydrophobicContact CG2-CB 4.1Å; I148-I157 HydrophobicContact CG2-CD1 4.09Å
149N87.4Confident88Confident18 Ų1862.1 Ų62.110%0.09632%0.317CS..THydrogen-bonded Turntrans-93.18-178.9-68.1-70.3000114I145 K146 N147 K151 H152 K153 N154 N158 I192I145-N149 PolarHBondContact O-N 2.92Å; I145-N149 PolarHBondContact O-ND2 2.94Å; K146-N149 CarbonylContact O-C 3.59Å; K146-N149 PolarHBondContact O-N 3.27Å; N147-N149 PolarHBondContact O-N 3.02Å; N149-K151 PolarHBondContact O-N 3.41Å; N149-H152 WeakPolarHBondContact CA-O 3.41Å; N149-K153 WeakPolarHBondContact OD1-CA 3.48Å; N149-N154 PolarHBondContact OD1-N 2.8Å; N149-N158 PolarHBondContact ND2-OD1 3.47Å; N149-N158 VanDerWaalsContact ND2-OD1 3.13Å; N149-N158 PolarHBondContact OD1-ND2 3.39Å; N149-I192 HydrophobicContact CB-CG2 3.81Å; N149-I192 WeakPolarHBondContact ND2-CG2 3.21Å
150A86.3Confident87.8Confident75 Ų7561.2 Ų61.262%0.6231%0.311SS*.SBendtrans-70.1-33.2-173.700000113.5K146 N147K146-A150 PolarHBondContact O-N 3.12Å; N147-A150 VanDerWaalsContact O-CB 3.29Å; N147-A150 WeakPolarHBondContact O-CB 3.36Å; N147-A150 PolarHBondContact O-N 2.9Å; N147-A150 VanDerWaalsContact O-N 3.16Å
151K83.6Confident87.5Confident209 Ų20960.3 Ų60.391%0.90931%0.307SS*.SBendtrans-91.5-52.8178.5-66-176.6-179.1179.20112N149N149-K151 PolarHBondContact O-N 3.41Å
152H82.4Confident87.2Confident122 Ų12260.6 Ų60.657%0.56531%0.309SS*.SBendtrans-144.4157.2175.585.1-71.9000109N149 N154N149-H152 WeakPolarHBondContact CA-O 3.41Å; H152-N154 PolarHBondContact O-N 2.83Å
153K82.4Confident87Confident89 Ų8964.5 Ų64.539%0.38733%0.33SS..  trans-72112.5174.4-69.2-174.6176.5-178.80110.1N149 N155 N194N149-K153 WeakPolarHBondContact OD1-CA 3.48Å; K153-N155 PolarHBondContact O-N 2.92Å; K153-N155 VanDerWaalsContact O-N 3.1Å; K153-N194 PolarHBondContact NZ-OD1 3.34Å
154N84.9Confident86.7Confident43 Ų4363.6 Ų63.623%0.2332%0.321CS..  trans-84.285.5177.1-168.5-25.4000110.1I148 N149 H152 K156 I157 N158I148-N154 HydrophobicContact CG2-CB 4.1Å; N149-N154 PolarHBondContact OD1-N 2.8Å; H152-N154 PolarHBondContact O-N 2.83Å; N154-K156 PolarHBondContact O-N 2.99Å; N154-K156 PolarHBondContact OD1-N 3.47Å; N154-I157 VanDerWaalsContact ND2-CD1 3.26Å; N154-I157 WeakPolarHBondContact ND2-CD1 3.5Å; N154-I157 PolarHBondContact O-N 3.49Å; N154-N158 VanDerWaalsContact O-CG 3.26Å; N154-N158 PolarHBondContact O-N 2.9Å; N154-N158 PolarHBondContact O-ND2 3.16Å
155N85.5Confident86.4Confident101 Ų10163.2 Ų63.254%0.5432%0.319SS..Hα-helixtrans-61.1-29.3-174.1-69.9-12.4000113.6K153 T159K153-N155 PolarHBondContact O-N 2.92Å; K153-N155 VanDerWaalsContact O-N 3.1Å; N155-T159 VanDerWaalsContact O-CB 3.28Å; N155-T159 WeakPolarHBondContact O-CB 3.37Å; N155-T159 PolarHBondContact O-N 2.73Å; N155-T159 PolarHBondContact O-OG1 2.8Å
156K87.3Confident86.2Confident169 Ų16967.2 Ų67.274%0.73533%0.334SS*.Hα-helixtrans-64.3-52179-172.5180-179.5-177.60110.8N154 T159 T160N154-K156 PolarHBondContact O-N 2.99Å; N154-K156 PolarHBondContact OD1-N 3.47Å; K156-T159 PolarHBondContact O-N 2.96Å; K156-T160 WeakPolarHBondContact O-CG2 3.28Å; K156-T160 PolarHBondContact O-N 3.36Å; K156-T160 VanDerWaalsContact O-N 3.13Å; K156-T160 PolarHBondContact O-OG1 3.33Å
157I85.8Confident86Confident22 Ų2266.5 Ų66.511%0.11334%0.339CS..Hα-helixtrans-66.4-41.6178.1-61.4177.2000110.5P115 T116 I148 N154 T159 T160 L161P115-I157 HydrophobicContact CG-CD1 3.83Å; T116-I157 HydrophobicContact CG2-CG1 4.45Å; T116-I157 HydrophobicContact CG2-CG2 4.42Å; I148-I157 HydrophobicContact CG2-CD1 4.09Å; N154-I157 VanDerWaalsContact ND2-CD1 3.26Å; N154-I157 WeakPolarHBondContact ND2-CD1 3.5Å; N154-I157 PolarHBondContact O-N 3.49Å; I157-T159 VanDerWaalsContact C-N 3.3Å; I157-T159 PolarHBondContact O-N 3.15Å; I157-T160 WeakPolarHBondContact CA-OG1 3.28Å; I157-T160 PolarHBondContact O-N 3.22Å; I157-T160 PolarHBondContact O-OG1 3.3Å; I157-L161 HydrophobicContact CG2-CD1 3.69Å; I157-L161 HydrophobicContact CG2-CG 4.12Å; I157-L161 WeakPolarHBondContact O-CB 3.27Å; I157-L161 VanDerWaalsContact O-CG 3.25Å; I157-L161 WeakPolarHBondContact O-CG 3.44Å; I157-L161 PolarHBondContact O-N 3.21Å
158N87.3Confident85.7Confident3 Ų362.4 Ų62.42%0.01632%0.317CS..Hα-helixtrans-61.7-40.7177.9-67-28000111.4N149 N154 Q162 W193N149-N158 PolarHBondContact ND2-OD1 3.47Å; N149-N158 VanDerWaalsContact ND2-OD1 3.13Å; N149-N158 PolarHBondContact OD1-ND2 3.39Å; N154-N158 VanDerWaalsContact O-CG 3.26Å; N154-N158 PolarHBondContact O-N 2.9Å; N154-N158 PolarHBondContact O-ND2 3.16Å; N158-Q162 VanDerWaalsContact O-CB 3.25Å; N158-Q162 WeakPolarHBondContact O-CB 3.49Å; N158-Q162 WeakPolarHBondContact O-CG 3.32Å; N158-Q162 PolarHBondContact O-N 2.93Å; N158-W193 PolarHBondContact OD1-NE1 2.84Å; N158-W193 VanDerWaalsContact OD1-NE1 3.08Å
159T88.4Confident85.5Confident61 Ų6162.1 Ų62.137%0.37432%0.316SS..Hα-helixtrans-66.3-43178.7-58.10000112N155 K156 I157 Q162 N163N155-T159 VanDerWaalsContact O-CB 3.28Å; N155-T159 WeakPolarHBondContact O-CB 3.37Å; N155-T159 PolarHBondContact O-N 2.73Å; N155-T159 PolarHBondContact O-OG1 2.8Å; K156-T159 PolarHBondContact O-N 2.96Å; I157-T159 VanDerWaalsContact C-N 3.3Å; I157-T159 PolarHBondContact O-N 3.15Å; T159-Q162 PolarHBondContact O-N 2.75Å; T159-N163 VanDerWaalsContact O-CG 3.24Å; T159-N163 PolarHBondContact O-N 3.49Å; T159-N163 PolarHBondContact O-ND2 3.34Å
160T88.4Confident85.3Confident56 Ų5669.3 Ų69.334%0.34434%0.342SS..Hα-helixtrans-65-45.7177.454.50000111.1K156 I157 Q162 N163 F164K156-T160 WeakPolarHBondContact O-CG2 3.28Å; K156-T160 PolarHBondContact O-N 3.36Å; K156-T160 VanDerWaalsContact O-N 3.13Å; K156-T160 PolarHBondContact O-OG1 3.33Å; I157-T160 WeakPolarHBondContact CA-OG1 3.28Å; I157-T160 PolarHBondContact O-N 3.22Å; I157-T160 PolarHBondContact O-OG1 3.3Å; T160-Q162 PolarHBondContact O-N 3.12Å; T160-N163 PolarHBondContact O-N 3.45Å; T160-F164 PolarHBondContact O-N 2.93Å
161L85.9Confident85Confident2 Ų267.7 Ų67.71%0.0132%0.322CS..Hα-helixtrans-63.3-42.6176.5-68.4175.7000112.2L119 I145 I157 N163 F164 M165 W193L119-L161 HydrophobicContact CB-CD2 3.83Å; L119-L161 HydrophobicContact CD1-CD1 3.65Å; L119-L161 HydrophobicContact CD1-CD2 3.82Å; L119-L161 HydrophobicContact CD1-CG 4.38Å; L119-L161 HydrophobicContact CG-CD2 4.5Å; I145-L161 HydrophobicContact CD1-CD1 4.11Å; I145-L161 HydrophobicContact CG1-CD1 4.1Å; I157-L161 HydrophobicContact CG2-CD1 3.69Å; I157-L161 HydrophobicContact CG2-CG 4.12Å; I157-L161 WeakPolarHBondContact O-CB 3.27Å; I157-L161 VanDerWaalsContact O-CG 3.25Å; I157-L161 WeakPolarHBondContact O-CG 3.44Å; I157-L161 PolarHBondContact O-N 3.21Å; L161-N163 VanDerWaalsContact C-N 3.35Å; L161-N163 PolarHBondContact O-N 2.64Å; L161-F164 WeakPolarHBondContact O-CB 3.39Å; L161-F164 PolarHBondContact O-N 2.94Å; L161-M165 WeakPolarHBondContact O-CG 3.32Å; L161-M165 PolarHBondContact O-N 3.25Å; L161-W193 HydrophobicContact CB-CH2 4.11Å; L161-W193 HydrophobicContact CB-CZ2 3.98Å; L161-W193 HydrophobicContact CD1-CZ2 4.29Å
162Q86.3Confident84.7Confident7 Ų763.5 Ų63.53%0.03332%0.32CS..Hα-helixtrans-60.8-42.2176.1-76.2168.4500111.9N158 T159 T160 F164 M165 Y166 W193 D195 T198N158-Q162 VanDerWaalsContact O-CB 3.25Å; N158-Q162 WeakPolarHBondContact O-CB 3.49Å; N158-Q162 WeakPolarHBondContact O-CG 3.32Å; N158-Q162 PolarHBondContact O-N 2.93Å; T159-Q162 PolarHBondContact O-N 2.75Å; T160-Q162 PolarHBondContact O-N 3.12Å; Q162-F164 VanDerWaalsContact C-N 3.32Å; Q162-M165 PolarHBondContact O-N 3.23Å; Q162-Y166 PolarHBondContact O-N 2.61Å; Q162-Y166 VanDerWaalsContact O-N 3.11Å; Q162-W193 HydrophobicContact CG-CD2 4.48Å; Q162-W193 HydrophobicContact CG-CE3 4.42Å; Q162-W193 HydrophobicContact CG-CZ3 4.44Å; Q162-D195 PolarHBondContact NE2-OD2 2.94Å; Q162-D195 VanDerWaalsContact NE2-OD2 3.08Å; Q162-T198 PolarHBondContact NE2-OG1 3.13Å
163N88.3Confident84.9Confident83 Ų8359.3 Ų59.344%0.44430%0.302SS..Hα-helixtrans-63.2-40.8175.3-72.2-17.7000111.7T159 T160 L161 Y166 T167 K197T159-N163 VanDerWaalsContact O-CG 3.24Å; T159-N163 PolarHBondContact O-N 3.49Å; T159-N163 PolarHBondContact O-ND2 3.34Å; T160-N163 PolarHBondContact O-N 3.45Å; L161-N163 VanDerWaalsContact C-N 3.35Å; L161-N163 PolarHBondContact O-N 2.64Å; N163-Y166 WeakPolarHBondContact O-CB 3.47Å; N163-Y166 PolarHBondContact O-N 3.13Å; N163-T167 PolarHBondContact O-N 3.05Å; N163-T167 PolarHBondContact O-OG1 3.43Å; N163-K197 WeakPolarHBondContact OD1-CE 3.2Å; N163-K197 PolarHBondContact OD1-NZ 2.98Å
164F85.6Confident85.2Confident36 Ų3658 Ų5816%0.15830%0.302CS..Hα-helixtrans-65-43.2176.4-177.5-90.9000111.6E120 F123 T160 L161 Q162 Y166 T167 M168E120-F164 HydrophobicContact CB-CE2 4.13Å; E120-F164 HydrophobicContact CB-CZ 4.25Å; E120-F164 HydrophobicContact CG-CD2 3.8Å; E120-F164 HydrophobicContact CG-CE2 3.86Å; E120-F164 HydrophobicContact CG-CG 4.17Å; E120-F164 HydrophobicContact CG-CZ 4.3Å; F123-F164 HydrophobicContact CB-CD1 4.42Å; F123-F164 HydrophobicContact CB-CE1 3.38Å; F123-F164 HydrophobicContact CB-CZ 4Å; F123-F164 AromaticContact CD2-CD1 3.86Å; F123-F164 HydrophobicContact CD2-CD1 3.86Å; F123-F164 AromaticContact CD2-CE1 3.6Å; F123-F164 HydrophobicContact CD2-CE1 3.6Å; F123-F164 HydrophobicContact CG-CD1 4.3Å; F123-F164 AromaticContact CG-CE1 3.69Å; F123-F164 HydrophobicContact CG-CE1 3.69Å; T160-F164 PolarHBondContact O-N 2.93Å; L161-F164 WeakPolarHBondContact O-CB 3.39Å; L161-F164 PolarHBondContact O-N 2.94Å; Q162-F164 VanDerWaalsContact C-N 3.32Å; F164-Y166 VanDerWaalsContact C-N 3.29Å; F164-Y166 PolarHBondContact O-N 2.91Å; F164-T167 WeakPolarHBondContact O-CA 3.35Å; F164-T167 WeakPolarHBondContact O-CB 3.36Å; F164-T167 PolarHBondContact O-N 3.31Å; F164-M168 HydrophobicContact CD1-CG 3.86Å; F164-M168 HydrophobicContact CE1-CG 3.32Å; F164-M168 HydrophobicContact CE1-SD 3.89Å; F164-M168 HydrophobicContact CZ-CG 3.85Å; F164-M168 HydrophobicContact CZ-SD 3.83Å; F164-M168 PolarHBondContact O-N 3.48Å
165M83.8Confident85.3Confident0 Ų059 Ų590%031%0.307CS..Hα-helixtrans-59.1-38.1175.9-70.5-69.6-165.800113.1F123 L161 Q162 T167 M168 L169 V183 M184 W193F123-M165 HydrophobicContact CD1-CE 4.3Å; F123-M165 HydrophobicContact CD1-SD 4.24Å; F123-M165 HydrophobicContact CE1-CE 3.29Å; F123-M165 HydrophobicContact CE1-SD 3.72Å; F123-M165 HydrophobicContact CE2-CE 3.67Å; F123-M165 HydrophobicContact CE2-SD 4.38Å; F123-M165 HydrophobicContact CZ-CE 2.94Å; F123-M165 HydrophobicContact CZ-SD 3.86Å; L161-M165 WeakPolarHBondContact O-CG 3.32Å; L161-M165 PolarHBondContact O-N 3.25Å; Q162-M165 PolarHBondContact O-N 3.23Å; M165-T167 VanDerWaalsContact C-N 3.26Å; M165-T167 PolarHBondContact O-N 3.06Å; M165-M168 PolarHBondContact O-N 3.19Å; M165-M168 VanDerWaalsContact O-N 3.16Å; M165-L169 PolarHBondContact O-N 3.04Å; M165-V183 HydrophobicContact CE-CG1 3.87Å; M165-M184 HydrophobicContact CB-SD 3.91Å; M165-M184 HydrophobicContact CG-CG 4.36Å; M165-M184 HydrophobicContact CG-SD 4.39Å; M165-M184 HydrophobicContact SD-CG 4.4Å; M165-W193 HydrophobicContact CE-CH2 3.93Å; M165-W193 HydrophobicContact CE-CZ3 4.16Å; M165-W193 HydrophobicContact CG-CH2 4.28Å; M165-W193 HydrophobicContact CG-CZ3 4.28Å
166Y83.4Confident85.4Confident84 Ų8454.1 Ų54.133%0.32928%0.281SS..Hα-helixtrans-60.2-39.8175.2-179-114.7000112Q162 N163 F164 R170 V201 T204Q162-Y166 PolarHBondContact O-N 2.61Å; Q162-Y166 VanDerWaalsContact O-N 3.11Å; N163-Y166 WeakPolarHBondContact O-CB 3.47Å; N163-Y166 PolarHBondContact O-N 3.13Å; F164-Y166 VanDerWaalsContact C-N 3.29Å; F164-Y166 PolarHBondContact O-N 2.91Å; Y166-R170 PolarHBondContact OH-NH2 2.73Å; Y166-V201 HydrophobicContact CD2-CG1 4.17Å; Y166-V201 HydrophobicContact CD2-CG2 4.02Å; Y166-T204 HydrophobicContact CE2-CG2 4.44Å
167T86.3Confident85.5Confident93 Ų9346.1 Ų46.157%0.57125%0.246SC*.Hα-helixtrans-66.9-41.1174.7-51.20000110.9N163 F164 M165 R170 D171N163-T167 PolarHBondContact O-N 3.05Å; N163-T167 PolarHBondContact O-OG1 3.43Å; F164-T167 WeakPolarHBondContact O-CA 3.35Å; F164-T167 WeakPolarHBondContact O-CB 3.36Å; F164-T167 PolarHBondContact O-N 3.31Å; M165-T167 VanDerWaalsContact C-N 3.26Å; M165-T167 PolarHBondContact O-N 3.06Å; T167-R170 PolarHBondContact O-N 3.28Å; T167-D171 PolarHBondContact O-N 3.02Å
168M83.8Confident85.7Confident7 Ų748.8 Ų48.83%0.03426%0.257CS..Hα-helixtrans-68.2-33178.9-70.8-60.1-63.200114.2F123 F164 M165 R170 D171 A176F123-M168 HydrophobicContact CB-CE 4.24Å; F123-M168 HydrophobicContact CB-CG 4.45Å; F123-M168 WeakPolarHBondContact O-CE 3.48Å; F164-M168 HydrophobicContact CD1-CG 3.86Å; F164-M168 HydrophobicContact CE1-CG 3.32Å; F164-M168 HydrophobicContact CE1-SD 3.89Å; F164-M168 HydrophobicContact CZ-CG 3.85Å; F164-M168 HydrophobicContact CZ-SD 3.83Å; F164-M168 PolarHBondContact O-N 3.48Å; M165-M168 PolarHBondContact O-N 3.19Å; M165-M168 VanDerWaalsContact O-N 3.16Å; M168-R170 PolarHBondContact O-N 3.39Å; M168-D171 WeakPolarHBondContact O-CB 3.04Å; M168-D171 PolarHBondContact O-N 3.02Å; M168-A176 HydrophobicContact CE-CB 4.19Å
169L83.3Confident85.8Confident24 Ų2449.5 Ų49.513%0.12626%0.261CS..Hα-helixtrans-69.2-24.7175.6-76.9173.9000112.9M165 D171 A177 L181 M184 V201M165-L169 PolarHBondContact O-N 3.04Å; L169-D171 VanDerWaalsContact C-N 3.31Å; L169-A177 WeakPolarHBondContact CD2-O 3.31Å; L169-L181 HydrophobicContact CD2-CB 3.91Å; L169-L181 HydrophobicContact CD2-CD1 4.28Å; L169-M184 HydrophobicContact CD1-SD 3.87Å; L169-V201 HydrophobicContact CD1-CG1 3.44Å; L169-V201 VanDerWaalsContact CD1-CG1 3.44Å
170R82.1Confident85.9Confident170 Ų17046.6 Ų46.664%0.64224%0.243SC*.THydrogen-bonded Turntrans-87.2-2.3174.4-68.5176.2164.8-161.6-11113Y166 T167 M168Y166-R170 PolarHBondContact OH-NH2 2.73Å; T167-R170 PolarHBondContact O-N 3.28Å; M168-R170 PolarHBondContact O-N 3.39Å
171D80.8Confident86Confident40 Ų4044.1 Ų44.121%0.21423%0.227CC..SBendtrans-66151.2-178.7-164.36.5000111.6R127 T167 M168 L169 N173R127-D171 IonicContact CZ-OD2 3.25Å; R127-D171 VanDerWaalsContact CZ-OD2 3.23Å; R127-D171 IonicContact NE-OD2 2.66Å; R127-D171 PolarHBondContact NE-OD2 3.26Å; R127-D171 VanDerWaalsContact NH2-CG 3.28Å; R127-D171 IonicContact NH2-OD1 3.23Å; R127-D171 PolarHBondContact NH2-OD1 3.49Å; R127-D171 IonicContact NH2-OD2 2.63Å; R127-D171 PolarHBondContact NH2-OD2 3.34Å; T167-D171 PolarHBondContact O-N 3.02Å; M168-D171 WeakPolarHBondContact O-CB 3.04Å; M168-D171 PolarHBondContact O-N 3.02Å; L169-D171 VanDerWaalsContact C-N 3.31Å; D171-N173 PolarHBondContact O-N 3.37Å
172S77.9Confident86.2Confident122 Ų12246.1 Ų46.185%0.85324%0.238SC*.SBendtrans-68.5-23.7-178.3-62.40000112.4P174S172-P174 VanDerWaalsContact O-CD 3.31Å; S172-P174 WeakPolarHBondContact O-CD 3.39Å
173N86.4Confident86.4Confident34 Ų3445.8 Ų45.818%0.18224%0.236CC..  trans-83.3111.9-177.3-170.5-30.5000111.9R127 D171 I175 A176 A177R127-N173 HydrophobicContact CG-CB 4.44Å; D171-N173 PolarHBondContact O-N 3.37Å; N173-I175 VanDerWaalsContact C-N 3.28Å; N173-I175 PolarHBondContact O-N 3.31Å; N173-I175 PolarHBondContact OD1-N 2.98Å; N173-A176 HydrophobicContact CB-CB 4.21Å; N173-A176 PolarHBondContact O-N 3.43Å; N173-A177 PolarHBondContact O-N 2.91Å; N173-A177 VanDerWaalsContact O-N 3.14Å
174P87.2Confident86.4Confident62 Ų6241.9 Ų41.940%0.40322%0.215SC..Hα-helixtrans-67.7-26.3-17528.1-36000113.5S172 K178 V210S172-P174 VanDerWaalsContact O-CD 3.31Å; S172-P174 WeakPolarHBondContact O-CD 3.39Å; P174-K178 VanDerWaalsContact O-CB 3.23Å; P174-K178 WeakPolarHBondContact O-CB 3.4Å; P174-K178 PolarHBondContact O-N 3.29Å; P174-K178 VanDerWaalsContact O-N 3.08Å; P174-V210 HydrophobicContact CB-CG1 4.07Å; P174-V210 HydrophobicContact CB-CG2 4.12Å
175I87.6Confident86.6Confident62 Ų6241 Ų4132%0.31822%0.215SC..Hα-helixtrans-73.5-46.4-179.3-60.8172.8000109.8N173 K178 I179N173-I175 VanDerWaalsContact C-N 3.28Å; N173-I175 PolarHBondContact O-N 3.31Å; N173-I175 PolarHBondContact OD1-N 2.98Å; I175-K178 PolarHBondContact O-N 2.95Å; I175-I179 HydrophobicContact CG2-CD1 3.92Å; I175-I179 WeakPolarHBondContact O-CG1 3.27Å; I175-I179 PolarHBondContact O-N 3.28Å
176A86.9Confident86.8Confident0 Ų043.2 Ų43.20%023%0.225CC..Hα-helixtrans-64.1-45.4178.900000111L126 R127 M168 N173 K178 I179 S180L126-A176 HydrophobicContact CB-CB 4.21Å; R127-A176 HydrophobicContact CG-CB 4.13Å; M168-A176 HydrophobicContact CE-CB 4.19Å; N173-A176 HydrophobicContact CB-CB 4.21Å; N173-A176 PolarHBondContact O-N 3.43Å; A176-K178 PolarHBondContact O-N 3.37Å; A176-I179 PolarHBondContact O-N 3.44Å; A176-S180 WeakPolarHBondContact O-CB 3.09Å; A176-S180 PolarHBondContact O-N 2.85Å; A176-S180 PolarHBondContact O-OG 3.15Å
177A89.9Confident87.1Confident1 Ų139.2 Ų39.21%0.00821%0.21CC..Hα-helixtrans-60.3-43.117600000112.1L169 N173 S180 L181 I213L169-A177 WeakPolarHBondContact CD2-O 3.31Å; N173-A177 PolarHBondContact O-N 2.91Å; N173-A177 VanDerWaalsContact O-N 3.14Å; A177-S180 PolarHBondContact O-N 3.28Å; A177-L181 WeakPolarHBondContact O-CB 3.19Å; A177-L181 PolarHBondContact O-N 3.43Å; A177-I213 HydrophobicContact CB-CD1 3.68Å
178K90.2Very high87.1Confident78 Ų7836.3 Ų36.334%0.33919%0.188SC..Hα-helixtrans-63.2-44.6177.1-177.2-91.5179.7-174.80112.7P174 I175 A176 S180 L181 D182 I213P174-K178 VanDerWaalsContact O-CB 3.23Å; P174-K178 WeakPolarHBondContact O-CB 3.4Å; P174-K178 PolarHBondContact O-N 3.29Å; P174-K178 VanDerWaalsContact O-N 3.08Å; I175-K178 PolarHBondContact O-N 2.95Å; A176-K178 PolarHBondContact O-N 3.37Å; K178-S180 VanDerWaalsContact C-N 3.33Å; K178-L181 WeakPolarHBondContact O-CB 3.42Å; K178-L181 PolarHBondContact O-N 3.01Å; K178-D182 WeakPolarHBondContact CD-OD2 3.46Å; K178-D182 WeakPolarHBondContact CE-OD2 3.41Å; K178-D182 IonicContact NZ-OD1 2.88Å; K178-D182 IonicContact NZ-OD2 3.23Å; K178-D182 PolarHBondContact NZ-OD2 3.3Å; K178-D182 PolarHBondContact O-N 3.23Å; K178-I213 HydrophobicContact CB-CG1 4.16Å
179I89.4Confident87.1Confident18 Ų1841.7 Ų41.79%0.09221%0.212CC..Hα-helixtrans-68.6-38179.5-65.1170.2000110.2L126 R134 Y138 I175 A176 L181 D182 V183L126-I179 HydrophobicContact CD1-CB 4.18Å; L126-I179 HydrophobicContact CD1-CG2 3.77Å; L126-I179 HydrophobicContact CD2-CG2 4.08Å; R134-I179 HydrophobicContact CB-CD1 4.08Å; R134-I179 HydrophobicContact CG-CD1 4.2Å; Y138-I179 HydrophobicContact CD2-CG2 3.76Å; I175-I179 HydrophobicContact CG2-CD1 3.92Å; I175-I179 WeakPolarHBondContact O-CG1 3.27Å; I175-I179 PolarHBondContact O-N 3.28Å; A176-I179 PolarHBondContact O-N 3.44Å; I179-L181 VanDerWaalsContact C-N 3.32Å; I179-L181 PolarHBondContact O-N 3.32Å; I179-D182 WeakPolarHBondContact O-CB 3.46Å; I179-D182 PolarHBondContact O-N 3.47Å; I179-V183 WeakPolarHBondContact O-CG2 3.39Å; I179-V183 PolarHBondContact O-N 3.33Å
180S89.8Confident87.2Confident0 Ų045.3 Ų45.30%022%0.224CC..Hα-helixtrans-60.5-43174.7-54.70000111.1A176 A177 K178 D182 V183 M184A176-S180 WeakPolarHBondContact O-CB 3.09Å; A176-S180 PolarHBondContact O-N 2.85Å; A176-S180 PolarHBondContact O-OG 3.15Å; A177-S180 PolarHBondContact O-N 3.28Å; K178-S180 VanDerWaalsContact C-N 3.33Å; S180-D182 PolarHBondContact O-N 2.71Å; S180-V183 PolarHBondContact O-N 3.09Å; S180-M184 WeakPolarHBondContact O-CG 3.36Å; S180-M184 PolarHBondContact O-N 3.34Å
181L90.9Very high87.3Confident3 Ų342.7 Ų42.72%0.01622%0.222CC..Hα-helixtrans-60-44.1172.9-173.365.1000112.5L169 A177 K178 I179 V183 M184 A185 I202 A205 I213L169-L181 HydrophobicContact CD2-CB 3.91Å; L169-L181 HydrophobicContact CD2-CD1 4.28Å; A177-L181 WeakPolarHBondContact O-CB 3.19Å; A177-L181 PolarHBondContact O-N 3.43Å; K178-L181 WeakPolarHBondContact O-CB 3.42Å; K178-L181 PolarHBondContact O-N 3.01Å; I179-L181 VanDerWaalsContact C-N 3.32Å; I179-L181 PolarHBondContact O-N 3.32Å; L181-V183 VanDerWaalsContact C-N 3.33Å; L181-V183 PolarHBondContact O-N 3Å; L181-M184 PolarHBondContact O-N 3.3Å; L181-A185 WeakPolarHBondContact O-CB 3.46Å; L181-A185 PolarHBondContact O-N 3.25Å; L181-I202 HydrophobicContact CD1-CB 4.48Å; L181-I202 HydrophobicContact CD1-CG1 4.15Å; L181-I202 HydrophobicContact CD1-CG2 4.07Å; L181-A205 HydrophobicContact CD1-CB 3.64Å; L181-A205 HydrophobicContact CD2-CB 3.93Å; L181-A205 HydrophobicContact CG-CB 4.42Å; L181-I213 HydrophobicContact CD2-CG2 4.05Å; L181-I213 WeakPolarHBondContact CD2-O 3.4Å
182D90.6Very high87.5Confident44 Ų4441.5 Ų41.524%0.23522%0.216CC..Hα-helixtrans-62.5-40.1177.3-68.8-24.4000111.6Y138 K178 I179 S180 A185 E186Y138-D182 HydrophobicContact CE2-CB 3.86Å; K178-D182 WeakPolarHBondContact CD-OD2 3.46Å; K178-D182 WeakPolarHBondContact CE-OD2 3.41Å; K178-D182 IonicContact NZ-OD1 2.88Å; K178-D182 IonicContact NZ-OD2 3.23Å; K178-D182 PolarHBondContact NZ-OD2 3.3Å; K178-D182 PolarHBondContact O-N 3.23Å; I179-D182 WeakPolarHBondContact O-CB 3.46Å; I179-D182 PolarHBondContact O-N 3.47Å; S180-D182 PolarHBondContact O-N 2.71Å; D182-A185 PolarHBondContact O-N 2.98Å; D182-E186 PolarHBondContact O-N 2.9Å
183V90.6Very high87.8Confident0 Ų035.7 Ų35.70%018%0.175CC..Hα-helixtrans-61.6-46.7175.4170.30000110.4Y138 I141 V142 M165 I179 S180 L181 A185 E186 L187Y138-V183 HydrophobicContact CD2-CG2 3.42Å; Y138-V183 VanDerWaalsContact CD2-CG2 3.42Å; Y138-V183 HydrophobicContact CE2-CB 4.4Å; Y138-V183 HydrophobicContact CE2-CG2 3.48Å; Y138-V183 VanDerWaalsContact CE2-CG2 3.48Å; Y138-V183 HydrophobicContact CG-CG2 4.46Å; I141-V183 HydrophobicContact CG2-CG1 3.84Å; I141-V183 HydrophobicContact CG2-CG2 4.43Å; V142-V183 HydrophobicContact CG2-CG1 4.26Å; V142-V183 HydrophobicContact CG2-CG2 4.35Å; M165-V183 HydrophobicContact CE-CG1 3.87Å; I179-V183 WeakPolarHBondContact O-CG2 3.39Å; I179-V183 PolarHBondContact O-N 3.33Å; S180-V183 PolarHBondContact O-N 3.09Å; L181-V183 VanDerWaalsContact C-N 3.33Å; L181-V183 PolarHBondContact O-N 3Å; V183-A185 VanDerWaalsContact C-N 3.32Å; V183-A185 PolarHBondContact O-N 3Å; V183-E186 PolarHBondContact O-N 3.45Å; V183-L187 HydrophobicContact CG1-CD1 3.78Å; V183-L187 HydrophobicContact CG1-CG 4.32Å; V183-L187 VanDerWaalsContact O-CG 3.28Å; V183-L187 WeakPolarHBondContact O-CG 3.19Å; V183-L187 PolarHBondContact O-N 3.32Å
184M89.1Confident87.7Confident1 Ų137.3 Ų37.31%0.00518%0.184CC..Hα-helixtrans-59.7-44176.7-67.5-174.871.500111.7M165 L169 S180 L181 L187 Y188 W193 T198 V201 I202M165-M184 HydrophobicContact CB-SD 3.91Å; M165-M184 HydrophobicContact CG-CG 4.36Å; M165-M184 HydrophobicContact CG-SD 4.39Å; M165-M184 HydrophobicContact SD-CG 4.4Å; L169-M184 HydrophobicContact CD1-SD 3.87Å; S180-M184 WeakPolarHBondContact O-CG 3.36Å; S180-M184 PolarHBondContact O-N 3.34Å; L181-M184 PolarHBondContact O-N 3.3Å; M184-L187 PolarHBondContact O-N 2.8Å; M184-Y188 PolarHBondContact O-N 2.71Å; M184-W193 HydrophobicContact CG-CZ3 4.12Å; M184-T198 HydrophobicContact CE-CG2 3.71Å; M184-V201 HydrophobicContact CE-CB 3.86Å; M184-V201 HydrophobicContact CE-CG1 3.58Å; M184-V201 HydrophobicContact SD-CG1 3.96Å; M184-I202 HydrophobicContact CB-CD1 4.24Å; M184-I202 HydrophobicContact CB-CG1 4.38Å; M184-I202 HydrophobicContact CE-CG1 4.14Å
185A89.2Confident87.6Confident18 Ų1836.9 Ų36.915%0.14918%0.178CC..Hα-helixtrans-63.7-40177.600000112.4L181 D182 V183 K189 F220L181-A185 WeakPolarHBondContact O-CB 3.46Å; L181-A185 PolarHBondContact O-N 3.25Å; D182-A185 PolarHBondContact O-N 2.98Å; V183-A185 VanDerWaalsContact C-N 3.32Å; V183-A185 PolarHBondContact O-N 3Å; A185-K189 WeakPolarHBondContact O-CG 3.43Å; A185-K189 PolarHBondContact O-N 3.02Å; A185-K189 VanDerWaalsContact O-N 3.1Å; A185-F220 HydrophobicContact CB-CD2 3.78Å; A185-F220 HydrophobicContact CB-CE2 4.46Å
186E88.4Confident87.6Confident46 Ų4635.3 Ų35.322%0.21518%0.175CC..Hα-helixtrans-69.9-38.7177.5-174.1166.8-175.300112.5Y138 V142 D182 V183 Y188 K189 R190Y138-E186 WeakPolarHBondContact CE1-OE2 3.4Å; Y138-E186 PolarHBondContact OH-OE2 3.4Å; V142-E186 HydrophobicContact CG1-CG 4.02Å; D182-E186 PolarHBondContact O-N 2.9Å; V183-E186 PolarHBondContact O-N 3.45Å; E186-Y188 VanDerWaalsContact C-N 3.32Å; E186-Y188 PolarHBondContact O-N 2.82Å; E186-K189 PolarHBondContact O-N 3.28Å; E186-R190 WeakPolarHBondContact O-CG 3.39Å; E186-R190 PolarHBondContact O-N 2.93Å; E186-R190 IonicContact OE1-CZ 3.33Å; E186-R190 VanDerWaalsContact OE1-CZ 3.25Å; E186-R190 IonicContact OE1-NE 3Å; E186-R190 PolarHBondContact OE1-NE 3.37Å; E186-R190 VanDerWaalsContact OE1-NE 3.15Å; E186-R190 IonicContact OE1-NH2 2.88Å; E186-R190 PolarHBondContact OE1-NH2 3.18Å
187L88.2Confident87.6Confident0 Ų039.1 Ų39.10%019%0.191CC..Hα-helixtrans-66.7-33.6176.5-69.2172.1000112.5V142 I145 V183 M184 I192 W193V142-L187 HydrophobicContact CG1-CD2 4.42Å; I145-L187 HydrophobicContact CB-CD2 4.02Å; I145-L187 HydrophobicContact CD1-CD1 3.77Å; I145-L187 HydrophobicContact CG2-CD1 4.1Å; I145-L187 HydrophobicContact CG2-CD2 3.67Å; V183-L187 HydrophobicContact CG1-CD1 3.78Å; V183-L187 HydrophobicContact CG1-CG 4.32Å; V183-L187 VanDerWaalsContact O-CG 3.28Å; V183-L187 WeakPolarHBondContact O-CG 3.19Å; V183-L187 PolarHBondContact O-N 3.32Å; M184-L187 PolarHBondContact O-N 2.8Å; L187-I192 HydrophobicContact CD2-CD1 3.81Å; L187-I192 PolarHBondContact O-N 2.77Å; L187-W193 HydrophobicContact CB-CB 4.29Å; L187-W193 HydrophobicContact CB-CD2 4.04Å; L187-W193 HydrophobicContact CB-CE3 4.07Å; L187-W193 HydrophobicContact CB-CG 4.15Å; L187-W193 HydrophobicContact CD1-CD2 3.69Å; L187-W193 HydrophobicContact CD1-CE3 3.55Å; L187-W193 HydrophobicContact CD1-CH2 3.63Å; L187-W193 HydrophobicContact CD1-CZ2 3.76Å; L187-W193 HydrophobicContact CD1-CZ3 3.52Å; L187-W193 HydrophobicContact CG-CD2 4.49Å; L187-W193 HydrophobicContact CG-CE3 4.47Å; L187-W193 PolarHBondContact O-N 3.41Å
188Y87.3Confident87.5Confident32 Ų3239.1 Ų39.113%0.12519%0.191CC..Hα-helixtrans-65.4-48.8171.3-173.3-87000111.2M184 E186 R190 N191 W193 V199 F220 F284 A286 L289M184-Y188 PolarHBondContact O-N 2.71Å; E186-Y188 VanDerWaalsContact C-N 3.32Å; E186-Y188 PolarHBondContact O-N 2.82Å; Y188-R190 PolarHBondContact O-N 3.41Å; Y188-N191 WeakPolarHBondContact O-CA 2.94Å; Y188-N191 PolarHBondContact O-N 3.18Å; Y188-W193 VanDerWaalsContact CD2-O 3.32Å; Y188-W193 WeakPolarHBondContact CD2-O 3.33Å; Y188-V199 HydrophobicContact CD2-CG2 4.23Å; Y188-V199 HydrophobicContact CE2-CG2 3.64Å; Y188-F220 AromaticContact CD1-CE2 3.61Å; Y188-F220 HydrophobicContact CD1-CE2 3.61Å; Y188-F220 AromaticContact CD1-CZ 3.76Å; Y188-F220 HydrophobicContact CD1-CZ 3.76Å; Y188-F220 HydrophobicContact CD2-CE2 4.29Å; Y188-F220 AromaticContact CD2-CZ 3.89Å; Y188-F220 HydrophobicContact CD2-CZ 3.89Å; Y188-F220 HydrophobicContact CE1-CE2 4.35Å; Y188-F220 HydrophobicContact CE1-CZ 4.13Å; Y188-F220 HydrophobicContact CE2-CZ 4.24Å; Y188-F220 AromaticContact CG-CE2 3.6Å; Y188-F220 HydrophobicContact CG-CE2 3.6Å; Y188-F220 AromaticContact CG-CZ 3.65Å; Y188-F220 HydrophobicContact CG-CZ 3.65Å; Y188-F284 PolarHBondContact OH-O 3.19Å; Y188-A286 HydrophobicContact CE1-CB 4.11Å; Y188-A286 HydrophobicContact CE2-CB 4.41Å; Y188-A286 VanDerWaalsContact OH-CA 3.27Å; Y188-A286 WeakPolarHBondContact OH-CA 3.24Å; Y188-A286 PolarHBondContact OH-N 3.08Å; Y188-L289 HydrophobicContact CE2-CD1 4.25Å
189K84.4Confident87.4Confident121 Ų12135.4 Ų35.453%0.52618%0.175SC..Hα-helixtrans-59.6-33.2177.9-74.1-179177.4-162.50113.4A185 E186 N191A185-K189 WeakPolarHBondContact O-CG 3.43Å; A185-K189 PolarHBondContact O-N 3.02Å; A185-K189 VanDerWaalsContact O-N 3.1Å; E186-K189 PolarHBondContact O-N 3.28Å; K189-N191 PolarHBondContact O-N 3.11Å
190R85.3Confident87.4Confident99 Ų9935.9 Ų35.937%0.37418%0.178SC..THydrogen-bonded Turntrans-78.96.1175.4-67.6176.2-179.4-141.31.1113.4E186 Y188 I192E186-R190 WeakPolarHBondContact O-CG 3.39Å; E186-R190 PolarHBondContact O-N 2.93Å; E186-R190 IonicContact OE1-CZ 3.33Å; E186-R190 VanDerWaalsContact OE1-CZ 3.25Å; E186-R190 IonicContact OE1-NE 3Å; E186-R190 PolarHBondContact OE1-NE 3.37Å; E186-R190 VanDerWaalsContact OE1-NE 3.15Å; E186-R190 IonicContact OE1-NH2 2.88Å; E186-R190 PolarHBondContact OE1-NH2 3.18Å; Y188-R190 PolarHBondContact O-N 3.41Å; R190-I192 HydrophobicContact CB-CD1 3.84Å; R190-I192 HydrophobicContact CB-CG1 4.04Å; R190-I192 PolarHBondContact O-N 2.99Å
191N83Confident87.4Confident115 Ų11536.4 Ų36.462%0.61518%0.181SC*.THydrogen-bonded Turntrans5824.5-177.3-64.5-45.6000114.7Y188 K189Y188-N191 WeakPolarHBondContact O-CA 2.94Å; Y188-N191 PolarHBondContact O-N 3.18Å; K189-N191 PolarHBondContact O-N 3.11Å
192I84.2Confident87.3Confident16 Ų1636.3 Ų36.38%0.08218%0.18CC..SBendtrans-85.7-51.5179.1-56.8164.6000109.6I145 K146 N149 L187 R190I145-I192 HydrophobicContact CG2-CG2 4.29Å; K146-I192 HydrophobicContact CB-CD1 3.82Å; K146-I192 HydrophobicContact CG-CD1 4.13Å; N149-I192 HydrophobicContact CB-CG2 3.81Å; N149-I192 WeakPolarHBondContact ND2-CG2 3.21Å; L187-I192 HydrophobicContact CD2-CD1 3.81Å; L187-I192 PolarHBondContact O-N 2.77Å; R190-I192 HydrophobicContact CB-CD1 3.84Å; R190-I192 HydrophobicContact CB-CG1 4.04Å; R190-I192 PolarHBondContact O-N 2.99Å
193W85.8Confident87.3Confident0 Ų034.8 Ų34.80%017%0.173CC..SBendtrans-106.962.1-180-70.6-4.1000111.3I145 N158 L161 Q162 M165 M184 L187 Y188 D195 T198I145-W193 HydrophobicContact CD1-CH2 4.39Å; I145-W193 HydrophobicContact CD1-CZ2 4.16Å; I145-W193 HydrophobicContact CG2-CZ2 4.31Å; N158-W193 PolarHBondContact OD1-NE1 2.84Å; N158-W193 VanDerWaalsContact OD1-NE1 3.08Å; L161-W193 HydrophobicContact CB-CH2 4.11Å; L161-W193 HydrophobicContact CB-CZ2 3.98Å; L161-W193 HydrophobicContact CD1-CZ2 4.29Å; Q162-W193 HydrophobicContact CG-CD2 4.48Å; Q162-W193 HydrophobicContact CG-CE3 4.42Å; Q162-W193 HydrophobicContact CG-CZ3 4.44Å; M165-W193 HydrophobicContact CE-CH2 3.93Å; M165-W193 HydrophobicContact CE-CZ3 4.16Å; M165-W193 HydrophobicContact CG-CH2 4.28Å; M165-W193 HydrophobicContact CG-CZ3 4.28Å; M184-W193 HydrophobicContact CG-CZ3 4.12Å; L187-W193 HydrophobicContact CB-CB 4.29Å; L187-W193 HydrophobicContact CB-CD2 4.04Å; L187-W193 HydrophobicContact CB-CE3 4.07Å; L187-W193 HydrophobicContact CB-CG 4.15Å; L187-W193 HydrophobicContact CD1-CD2 3.69Å; L187-W193 HydrophobicContact CD1-CE3 3.55Å; L187-W193 HydrophobicContact CD1-CH2 3.63Å; L187-W193 HydrophobicContact CD1-CZ2 3.76Å; L187-W193 HydrophobicContact CD1-CZ3 3.52Å; L187-W193 HydrophobicContact CG-CD2 4.49Å; L187-W193 HydrophobicContact CG-CE3 4.47Å; L187-W193 PolarHBondContact O-N 3.41Å; Y188-W193 VanDerWaalsContact CD2-O 3.32Å; Y188-W193 WeakPolarHBondContact CD2-O 3.33Å; W193-D195 PolarHBondContact O-N 3.33Å; W193-T198 HydrophobicContact CB-CG2 4.15Å; W193-T198 HydrophobicContact CE3-CG2 4.26Å
194N83.8Confident87.2Confident67 Ų6737.2 Ų37.236%0.35819%0.187SC..  trans-8742177.968.7-37000112.6K153K153-N194 PolarHBondContact NZ-OD1 3.34Å
195D85.1Confident87.3Confident53 Ų5337.4 Ų37.428%0.28319%0.189SC..  trans-105.1148.5-174.1-52-38.7000111.4Q162 W193 K197 T198 V199Q162-D195 PolarHBondContact NE2-OD2 2.94Å; Q162-D195 VanDerWaalsContact NE2-OD2 3.08Å; W193-D195 PolarHBondContact O-N 3.33Å; D195-K197 PolarHBondContact O-N 2.89Å; D195-T198 PolarHBondContact O-N 3.46Å; D195-T198 VanDerWaalsContact O-N 3.15Å; D195-V199 PolarHBondContact O-N 3.04Å
196A87.1Confident87.3Confident30 Ų3036.5 Ų36.525%0.24818%0.182CC..Hα-helixtrans-56.7-3717400000112.5T198 V199 N200 L289A196-T198 VanDerWaalsContact C-N 3.35Å; A196-T198 PolarHBondContact O-N 3.15Å; A196-V199 PolarHBondContact O-N 3.35Å; A196-N200 PolarHBondContact O-N 3.32Å; A196-N200 PolarHBondContact O-ND2 2.86Å; A196-L289 HydrophobicContact CB-CB 4.46Å; A196-L289 HydrophobicContact CB-CD2 4.41Å
197K87.3Confident87.3Confident80 Ų8037.9 Ų37.935%0.34819%0.187SC..Hα-helixtrans-58.9-44.1177.4-173.5173.7176.1-172.80112.6N163 D195 N200 V201N163-K197 WeakPolarHBondContact OD1-CE 3.2Å; N163-K197 PolarHBondContact OD1-NZ 2.98Å; D195-K197 PolarHBondContact O-N 2.89Å; K197-N200 PolarHBondContact O-N 3.46Å; K197-V201 VanDerWaalsContact O-CG2 3.29Å; K197-V201 WeakPolarHBondContact O-CG2 3.32Å; K197-V201 PolarHBondContact O-N 3.22Å
198T87.8Confident87.3Confident0 Ų039.1 Ų39.10%020%0.196CC..Hα-helixtrans-63.3-44.7179.6-58.40000111Q162 M184 W193 D195 A196 V201 I202Q162-T198 PolarHBondContact NE2-OG1 3.13Å; M184-T198 HydrophobicContact CE-CG2 3.71Å; W193-T198 HydrophobicContact CB-CG2 4.15Å; W193-T198 HydrophobicContact CE3-CG2 4.26Å; D195-T198 PolarHBondContact O-N 3.46Å; D195-T198 VanDerWaalsContact O-N 3.15Å; A196-T198 VanDerWaalsContact C-N 3.35Å; A196-T198 PolarHBondContact O-N 3.15Å; T198-V201 PolarHBondContact O-N 3.09Å; T198-I202 HydrophobicContact CG2-CD1 4.25Å; T198-I202 WeakPolarHBondContact O-CG1 3.27Å; T198-I202 PolarHBondContact O-N 3.04Å
199V89.1Confident87.2Confident0 Ų047.5 Ų47.50%023%0.233CC..Hα-helixtrans-61.8-46.9178.1173.70000111.3Y188 D195 A196 V201 I202 T203 F221 A286 L289 I290Y188-V199 HydrophobicContact CD2-CG2 4.23Å; Y188-V199 HydrophobicContact CE2-CG2 3.64Å; D195-V199 PolarHBondContact O-N 3.04Å; A196-V199 PolarHBondContact O-N 3.35Å; V199-V201 VanDerWaalsContact C-N 3.27Å; V199-V201 PolarHBondContact O-N 3.16Å; V199-I202 CarbonylContact O-C 2.9Å; V199-I202 WeakPolarHBondContact O-CA 3.48Å; V199-I202 WeakPolarHBondContact O-CB 3.47Å; V199-I202 PolarHBondContact O-N 3.43Å; V199-T203 PolarHBondContact O-N 2.86Å; V199-F221 HydrophobicContact CG1-CE1 3.72Å; V199-F221 HydrophobicContact CG1-CZ 3.99Å; V199-A286 HydrophobicContact CG1-CB 4.42Å; V199-A286 WeakPolarHBondContact CG1-O 3.02Å; V199-A286 HydrophobicContact CG2-CB 4.2Å; V199-L289 HydrophobicContact CB-CB 4.16Å; V199-L289 HydrophobicContact CG1-CB 4.23Å; V199-L289 HydrophobicContact CG2-CB 3.92Å; V199-L289 HydrophobicContact CG2-CD1 4.02Å; V199-I290 HydrophobicContact CG1-CG1 3.91Å
200N89.5Confident87.5Confident28 Ų2844.4 Ų44.415%0.1523%0.225CC..Hα-helixtrans-70.5-22.2179.4-71-74.4000113.1A196 K197 T203 L289 H291A196-N200 PolarHBondContact O-N 3.32Å; A196-N200 PolarHBondContact O-ND2 2.86Å; K197-N200 PolarHBondContact O-N 3.46Å; N200-T203 PolarHBondContact O-OG1 3.47Å; N200-L289 PolarHBondContact ND2-O 3.22Å; N200-H291 PolarHBondContact ND2-CD2 3.24Å; N200-H291 PolarHBondContact ND2-NE2 3.05Å; N200-H291 PolarHBondContact OD1-N 2.73Å
201V88.5Confident87.7Confident12 Ų1242 Ų427%0.07322%0.221CC..Hα-helixtrans-71.3-39.3167.2170.30000110.2Y166 L169 M184 K197 T198 V199 T203 T204Y166-V201 HydrophobicContact CD2-CG1 4.17Å; Y166-V201 HydrophobicContact CD2-CG2 4.02Å; L169-V201 HydrophobicContact CD1-CG1 3.44Å; L169-V201 VanDerWaalsContact CD1-CG1 3.44Å; M184-V201 HydrophobicContact CE-CB 3.86Å; M184-V201 HydrophobicContact CE-CG1 3.58Å; M184-V201 HydrophobicContact SD-CG1 3.96Å; K197-V201 VanDerWaalsContact O-CG2 3.29Å; K197-V201 WeakPolarHBondContact O-CG2 3.32Å; K197-V201 PolarHBondContact O-N 3.22Å; T198-V201 PolarHBondContact O-N 3.09Å; V199-V201 VanDerWaalsContact C-N 3.27Å; V199-V201 PolarHBondContact O-N 3.16Å; V201-T203 PolarHBondContact O-N 3.16Å; V201-T204 WeakPolarHBondContact O-CB 3.41Å; V201-T204 PolarHBondContact O-N 2.71Å; V201-T204 PolarHBondContact O-OG1 3.34Å
202I89.6Confident88Confident0 Ų044.4 Ų44.40%023%0.226CC..Hα-helixtrans-66.9-34.1177-64.4166.5000112L181 M184 T198 V199 T204 A205 F220 F221L181-I202 HydrophobicContact CD1-CB 4.48Å; L181-I202 HydrophobicContact CD1-CG1 4.15Å; L181-I202 HydrophobicContact CD1-CG2 4.07Å; M184-I202 HydrophobicContact CB-CD1 4.24Å; M184-I202 HydrophobicContact CB-CG1 4.38Å; M184-I202 HydrophobicContact CE-CG1 4.14Å; T198-I202 HydrophobicContact CG2-CD1 4.25Å; T198-I202 WeakPolarHBondContact O-CG1 3.27Å; T198-I202 PolarHBondContact O-N 3.04Å; V199-I202 CarbonylContact O-C 2.9Å; V199-I202 WeakPolarHBondContact O-CA 3.48Å; V199-I202 WeakPolarHBondContact O-CB 3.47Å; V199-I202 PolarHBondContact O-N 3.43Å; I202-T204 PolarHBondContact O-N 3.02Å; I202-A205 VanDerWaalsContact O-CB 3.27Å; I202-A205 WeakPolarHBondContact O-CB 3.46Å; I202-A205 PolarHBondContact O-N 2.99Å; I202-F220 HydrophobicContact CB-CD1 4.25Å; I202-F220 HydrophobicContact CB-CE1 4.29Å; I202-F220 HydrophobicContact CD1-CD1 3.96Å; I202-F220 HydrophobicContact CD1-CD2 4.05Å; I202-F220 HydrophobicContact CD1-CE1 3.62Å; I202-F220 HydrophobicContact CD1-CE2 3.73Å; I202-F220 HydrophobicContact CD1-CG 4.15Å; I202-F220 HydrophobicContact CD1-CZ 3.5Å; I202-F220 HydrophobicContact CG2-CB 4.21Å; I202-F220 HydrophobicContact CG2-CD1 3.45Å; I202-F220 VanDerWaalsContact CG2-CD1 3.45Å; I202-F220 HydrophobicContact CG2-CE1 3.99Å; I202-F220 HydrophobicContact CG2-CG 3.91Å; I202-F221 HydrophobicContact CG2-CE2 3.88Å; I202-F221 HydrophobicContact CG2-CZ 4.27Å
203T90.3Very high88.4Confident13 Ų1344 Ų448%0.0822%0.224CC..Hα-helixtrans-57.7-34.6174.261.10000111.8V199 N200 V201 A205 C206 F207 F221 I290 F296V199-T203 PolarHBondContact O-N 2.86Å; N200-T203 PolarHBondContact O-OG1 3.47Å; V201-T203 PolarHBondContact O-N 3.16Å; T203-A205 PolarHBondContact O-N 2.88Å; T203-C206 WeakPolarHBondContact O-CB 3.4Å; T203-C206 PolarHBondContact O-N 3.23Å; T203-F207 WeakPolarHBondContact O-CD2 3.44Å; T203-F221 HydrophobicContact CG2-CE1 4.38Å; T203-F221 HydrophobicContact CG2-CE2 4.01Å; T203-F221 HydrophobicContact CG2-CZ 3.48Å; T203-F221 VanDerWaalsContact CG2-CZ 3.48Å; T203-I290 HydrophobicContact CG2-CD1 4.38Å; T203-I290 HydrophobicContact CG2-CG1 4.21Å; T203-F296 HydrophobicContact CG2-CD1 4.46Å; T203-F296 HydrophobicContact CG2-CD2 4.37Å; T203-F296 HydrophobicContact CG2-CE1 4.11Å; T203-F296 HydrophobicContact CG2-CE2 4.06Å; T203-F296 HydrophobicContact CG2-CZ 3.91Å
204T88.7Confident88.6Confident50 Ų5044.2 Ų44.231%0.30723%0.225SC..Hα-helixtrans-64.3-28.3176.473.70000113.2Y166 V201 I202 C206 F207Y166-T204 HydrophobicContact CE2-CG2 4.44Å; V201-T204 WeakPolarHBondContact O-CB 3.41Å; V201-T204 PolarHBondContact O-N 2.71Å; V201-T204 PolarHBondContact O-OG1 3.34Å; I202-T204 PolarHBondContact O-N 3.02Å; T204-C206 VanDerWaalsContact C-N 3.27Å; T204-C206 PolarHBondContact O-N 2.91Å; T204-F207 PolarHBondContact O-N 3.45Å
205A89.9Confident88.9Confident5 Ų542.2 Ų42.24%0.04122%0.215CC..Hα-helixtrans-68.7-27.2178.100000112.3L181 I202 T203 F207 S208 I213L181-A205 HydrophobicContact CD1-CB 3.64Å; L181-A205 HydrophobicContact CD2-CB 3.93Å; L181-A205 HydrophobicContact CG-CB 4.42Å; I202-A205 VanDerWaalsContact O-CB 3.27Å; I202-A205 WeakPolarHBondContact O-CB 3.46Å; I202-A205 PolarHBondContact O-N 2.99Å; T203-A205 PolarHBondContact O-N 2.88Å; A205-F207 PolarHBondContact O-N 3.39Å; A205-S208 WeakPolarHBondContact O-CB 3.46Å; A205-S208 PolarHBondContact O-N 3.44Å; A205-S208 PolarHBondContact O-OG 2.96Å; A205-I213 HydrophobicContact CB-CG2 3.93Å
206C89.4Confident89.1Confident0 Ų040.6 Ų40.60%021%0.211CC..Hα-helixtrans-64.2-25.1175.1-63.10000112.9T203 T204 F296 L300 Q303T203-C206 WeakPolarHBondContact O-CB 3.4Å; T203-C206 PolarHBondContact O-N 3.23Å; T204-C206 VanDerWaalsContact C-N 3.27Å; T204-C206 PolarHBondContact O-N 2.91Å; C206-F296 HydrophobicContact CB-CE2 4.32Å; C206-F296 HydrophobicContact CB-CZ 4.39Å; C206-L300 HydrophobicContact CB-CD2 4.13Å; C206-Q303 PolarHBondContact O-NE2 2.84Å; C206-Q303 PolarHBondContact O-OE1 3.08Å
207F89.4Confident89.2Confident74 Ų7439.1 Ų39.133%0.32520%0.199SC..THydrogen-bonded Turntrans-95.68.1179.1-57.9-67.3000114T203 T204 A205 F296 K299 L300 Q303T203-F207 WeakPolarHBondContact O-CD2 3.44Å; T204-F207 PolarHBondContact O-N 3.45Å; A205-F207 PolarHBondContact O-N 3.39Å; F207-F296 HydrophobicContact CD2-CE2 4.5Å; F207-F296 AromaticContact CE2-CD2 3.47Å; F207-F296 HydrophobicContact CE2-CD2 3.47Å; F207-F296 VanDerWaalsContact CE2-CD2 3.47Å; F207-F296 AromaticContact CE2-CE2 3.47Å; F207-F296 HydrophobicContact CE2-CE2 3.47Å; F207-F296 VanDerWaalsContact CE2-CE2 3.47Å; F207-F296 AromaticContact CZ-CD2 3.4Å; F207-F296 HydrophobicContact CZ-CD2 3.4Å; F207-F296 VanDerWaalsContact CZ-CD2 3.4Å; F207-F296 AromaticContact CZ-CE2 3.54Å; F207-F296 HydrophobicContact CZ-CE2 3.54Å; F207-K299 HydrophobicContact CD1-CB 4.5Å; F207-K299 HydrophobicContact CE1-CB 3.52Å; F207-K299 HydrophobicContact CZ-CB 3.66Å; F207-K299 HydrophobicContact CZ-CD 4.49Å; F207-L300 HydrophobicContact CD1-CD2 4.42Å; F207-L300 HydrophobicContact CE1-CD2 3.77Å; F207-L300 HydrophobicContact CE1-CG 3.93Å; F207-L300 HydrophobicContact CZ-CD2 4.14Å; F207-L300 HydrophobicContact CZ-CG 3.99Å; F207-Q303 VanDerWaalsContact CD1-OE1 3.24Å
208S87.6Confident89.4Confident27 Ų2735.3 Ų35.319%0.18918%0.182CC..  trans-67.9153.1178.763.50000111.9A205 V210 I213 I214A205-S208 WeakPolarHBondContact O-CB 3.46Å; A205-S208 PolarHBondContact O-N 3.44Å; A205-S208 PolarHBondContact O-OG 2.96Å; S208-V210 PolarHBondContact O-N 2.94Å; S208-I213 VanDerWaalsContact OG-CB 3.29Å; S208-I213 WeakPolarHBondContact OG-CB 3.46Å; S208-I213 VanDerWaalsContact OG-CG2 3.25Å; S208-I213 WeakPolarHBondContact OG-CG2 3.21Å; S208-I214 WeakPolarHBondContact O-CD1 3.3Å; S208-I214 WeakPolarHBondContact O-CG1 3.31Å; S208-I214 PolarHBondContact OG-N 3.39Å
209K85.8Confident89.4Confident208 Ų20840.1 Ų40.190%0.90420%0.203SC*.SBendtrans-73.2-14.6176-64.2-179.4-178.8177.30113.2
210V89.6Confident89.4Confident56 Ų5641.2 Ų41.234%0.33921%0.208SC..SBendtrans-97.5114.3-1721800000109.3P174 S208 K212 I213 I214P174-V210 HydrophobicContact CB-CG1 4.07Å; P174-V210 HydrophobicContact CB-CG2 4.12Å; S208-V210 PolarHBondContact O-N 2.94Å; V210-K212 HydrophobicContact CG1-CB 4.38Å; V210-K212 PolarHBondContact O-N 3.15Å; V210-K212 VanDerWaalsContact O-N 3.07Å; V210-I213 HydrophobicContact CB-CB 4.4Å; V210-I213 HydrophobicContact CB-CD1 3.96Å; V210-I213 HydrophobicContact CB-CG1 4.12Å; V210-I213 HydrophobicContact CG1-CD1 4.27Å; V210-I213 HydrophobicContact CG1-CG1 4.13Å; V210-I213 HydrophobicContact CG2-CD1 4.36Å; V210-I213 PolarHBondContact O-N 3Å; V210-I214 PolarHBondContact O-N 2.97Å; V210-I214 VanDerWaalsContact O-N 3.13Å
211T90.3Very high89.2Confident49 Ų4940.3 Ų40.330%0.30120%0.202SC..Hα-helixtrans-51.1-39.2-177.2-37.60000113.5I213 I214 V215 E309 V313T211-I213 VanDerWaalsContact C-N 3.31Å; T211-I213 PolarHBondContact O-N 2.95Å; T211-I214 PolarHBondContact O-N 3.19Å; T211-V215 HydrophobicContact CG2-CG2 4.33Å; T211-V215 WeakPolarHBondContact O-CB 3.16Å; T211-V215 VanDerWaalsContact O-CG2 3.23Å; T211-V215 WeakPolarHBondContact O-CG2 3.39Å; T211-V215 PolarHBondContact O-N 2.94Å; T211-E309 WeakPolarHBondContact CG2-OE2 3.35Å; T211-E309 PolarHBondContact OG1-OE1 2.89Å; T211-E309 PolarHBondContact OG1-OE2 2.82Å; T211-V313 HydrophobicContact CG2-CG2 4.09Å
212K90.2Very high88.9Confident165 Ų16540.5 Ų40.572%0.71720%0.203SC*.Hα-helixtrans-64-34.5179.8-69.4-177.5-178.7172.80113.1V210 G216V210-K212 HydrophobicContact CG1-CB 4.38Å; V210-K212 PolarHBondContact O-N 3.15Å; V210-K212 VanDerWaalsContact O-N 3.07Å; K212-G216 PolarHBondContact O-N 2.99Å; K212-G216 VanDerWaalsContact O-N 3.1Å
213I91.1Very high88.2Confident8 Ų842.2 Ų42.24%0.04122%0.221CC..Hα-helixtrans-76.4-44.1178.8-60.9177.3000109A177 K178 L181 A205 S208 V210 T211 V215 G216 G217A177-I213 HydrophobicContact CB-CD1 3.68Å; K178-I213 HydrophobicContact CB-CG1 4.16Å; L181-I213 HydrophobicContact CD2-CG2 4.05Å; L181-I213 WeakPolarHBondContact CD2-O 3.4Å; A205-I213 HydrophobicContact CB-CG2 3.93Å; S208-I213 VanDerWaalsContact OG-CB 3.29Å; S208-I213 WeakPolarHBondContact OG-CB 3.46Å; S208-I213 VanDerWaalsContact OG-CG2 3.25Å; S208-I213 WeakPolarHBondContact OG-CG2 3.21Å; V210-I213 HydrophobicContact CB-CB 4.4Å; V210-I213 HydrophobicContact CB-CD1 3.96Å; V210-I213 HydrophobicContact CB-CG1 4.12Å; V210-I213 HydrophobicContact CG1-CD1 4.27Å; V210-I213 HydrophobicContact CG1-CG1 4.13Å; V210-I213 HydrophobicContact CG2-CD1 4.36Å; V210-I213 PolarHBondContact O-N 3Å; T211-I213 VanDerWaalsContact C-N 3.31Å; T211-I213 PolarHBondContact O-N 2.95Å; I213-V215 VanDerWaalsContact C-N 3.33Å; I213-V215 PolarHBondContact O-N 3.39Å; I213-G216 WeakPolarHBondContact O-CA 3.01Å; I213-G216 PolarHBondContact O-N 3.26Å; I213-G217 PolarHBondContact O-N 3.43Å
214I90.6Very high86.4Confident3 Ų348 Ų482%0.01525%0.245CC..Hα-helixtrans-52.9-52.6172.4-60.3166.3000110.4S208 V210 T211 G216 G217 L218 M317S208-I214 WeakPolarHBondContact O-CD1 3.3Å; S208-I214 WeakPolarHBondContact O-CG1 3.31Å; S208-I214 PolarHBondContact OG-N 3.39Å; V210-I214 PolarHBondContact O-N 2.97Å; V210-I214 VanDerWaalsContact O-N 3.13Å; T211-I214 PolarHBondContact O-N 3.19Å; I214-G216 VanDerWaalsContact C-N 3.25Å; I214-G216 PolarHBondContact O-N 3.45Å; I214-G217 PolarHBondContact O-N 2.73Å; I214-G217 VanDerWaalsContact O-N 3.12Å; I214-L218 HydrophobicContact CG2-CD1 3.69Å; I214-L218 HydrophobicContact CG2-CG 4.05Å; I214-L218 WeakPolarHBondContact O-CG 3.48Å; I214-L218 PolarHBondContact O-N 3.3Å; I214-M317 HydrophobicContact CG2-CE 3.62Å
215V91.1Very high83.9Confident26 Ų2652.7 Ų52.716%0.15827%0.268CS..Hα-helixtrans-61.4-34.6179.6171.20000111.8T211 I213 K219 V313 M316T211-V215 HydrophobicContact CG2-CG2 4.33Å; T211-V215 WeakPolarHBondContact O-CB 3.16Å; T211-V215 VanDerWaalsContact O-CG2 3.23Å; T211-V215 WeakPolarHBondContact O-CG2 3.39Å; T211-V215 PolarHBondContact O-N 2.94Å; I213-V215 VanDerWaalsContact C-N 3.33Å; I213-V215 PolarHBondContact O-N 3.39Å; V215-K219 HydrophobicContact CG1-CD 3.83Å; V215-K219 HydrophobicContact CG1-CG 4.32Å; V215-K219 VanDerWaalsContact O-CB 3.25Å; V215-K219 WeakPolarHBondContact O-CB 3.15Å; V215-K219 WeakPolarHBondContact O-CG 3.37Å; V215-K219 PolarHBondContact O-N 3.34Å; V215-V313 HydrophobicContact CG2-CG1 4.27Å; V215-V313 HydrophobicContact CG2-CG2 3.86Å; V215-M316 HydrophobicContact CB-CE 4.45Å; V215-M316 HydrophobicContact CG1-CE 4.08Å; V215-M316 HydrophobicContact CG2-CE 3.78Å
216G88.5Confident81.3Confident18 Ų1859 Ų5919%0.18630%0.297CS..Hα-helixtrans-62.3-46.7173.300000112.3K212 I213 I214 K219 F220K212-G216 PolarHBondContact O-N 2.99Å; K212-G216 VanDerWaalsContact O-N 3.1Å; I213-G216 WeakPolarHBondContact O-CA 3.01Å; I213-G216 PolarHBondContact O-N 3.26Å; I214-G216 VanDerWaalsContact C-N 3.25Å; I214-G216 PolarHBondContact O-N 3.45Å; G216-K219 PolarHBondContact O-N 3.36Å; G216-F220 PolarHBondContact O-N 3.45Å; G216-F220 VanDerWaalsContact O-N 3.1Å
217G90.1Very high78.6Confident0 Ų065 Ų650%033%0.329CS..Hα-helixtrans-66.9-45.1178.100000112.5I213 I214 K219 F220 F221I213-G217 PolarHBondContact O-N 3.43Å; I214-G217 PolarHBondContact O-N 2.73Å; I214-G217 VanDerWaalsContact O-N 3.12Å; G217-K219 PolarHBondContact O-N 3.32Å; G217-F220 WeakPolarHBondContact O-CB 3.29Å; G217-F220 PolarHBondContact O-N 3.2Å; G217-F220 VanDerWaalsContact O-N 3.16Å; G217-F221 VanDerWaalsContact O-CD2 3.32Å; G217-F221 WeakPolarHBondContact O-CD2 2.98Å; G217-F221 PolarHBondContact O-N 2.94Å
218L89.8Confident76.1Confident0 Ų068 Ų680%034%0.344CS..Hα-helixtrans-60.3-44.4176.1-66.1175.6000111.6I214 F220 F221 L222 V313 M316 M317 L320I214-L218 HydrophobicContact CG2-CD1 3.69Å; I214-L218 HydrophobicContact CG2-CG 4.05Å; I214-L218 WeakPolarHBondContact O-CG 3.48Å; I214-L218 PolarHBondContact O-N 3.3Å; L218-F220 VanDerWaalsContact C-N 3.25Å; L218-F220 PolarHBondContact O-N 2.93Å; L218-F221 PolarHBondContact O-N 3.36Å; L218-L222 WeakPolarHBondContact O-CB 3.43Å; L218-L222 VanDerWaalsContact O-CG 3.3Å; L218-L222 WeakPolarHBondContact O-CG 3.49Å; L218-L222 PolarHBondContact O-N 3.1Å; L218-V313 HydrophobicContact CD1-CG1 4.3Å; L218-M316 HydrophobicContact CB-CB 4.36Å; L218-M316 HydrophobicContact CD1-CB 3.9Å; L218-M317 HydrophobicContact CD1-CE 4.43Å; L218-M317 HydrophobicContact CD1-CG 3.66Å; L218-M317 HydrophobicContact CD2-CG 4.22Å; L218-L320 HydrophobicContact CD2-CB 4.26Å; L218-L320 HydrophobicContact CD2-CD2 3.55Å
219K88.1Confident73.5Confident101 Ų10175.4 Ų75.444%0.43937%0.373SS..Hα-helixtrans-65.5-27.3177.2-77.5176.7177.9175.10113.6V215 G216 G217 G223 M316V215-K219 HydrophobicContact CG1-CD 3.83Å; V215-K219 HydrophobicContact CG1-CG 4.32Å; V215-K219 VanDerWaalsContact O-CB 3.25Å; V215-K219 WeakPolarHBondContact O-CB 3.15Å; V215-K219 WeakPolarHBondContact O-CG 3.37Å; V215-K219 PolarHBondContact O-N 3.34Å; G216-K219 PolarHBondContact O-N 3.36Å; G217-K219 PolarHBondContact O-N 3.32Å; K219-G223 CarbonylContact O-C 3.53Å; K219-G223 PolarHBondContact O-N 3.09Å; K219-M316 HydrophobicContact CG-SD 4.41Å
220F88.6Confident70.9Confident23 Ų2371.2 Ų71.210%0.10136%0.36CS..Hα-helixtrans-65.1-50173.8170-97.4000110.7A185 Y188 I202 G216 G217 L218 G223 A286A185-F220 HydrophobicContact CB-CD2 3.78Å; A185-F220 HydrophobicContact CB-CE2 4.46Å; Y188-F220 AromaticContact CD1-CE2 3.61Å; Y188-F220 HydrophobicContact CD1-CE2 3.61Å; Y188-F220 AromaticContact CD1-CZ 3.76Å; Y188-F220 HydrophobicContact CD1-CZ 3.76Å; Y188-F220 HydrophobicContact CD2-CE2 4.29Å; Y188-F220 AromaticContact CD2-CZ 3.89Å; Y188-F220 HydrophobicContact CD2-CZ 3.89Å; Y188-F220 HydrophobicContact CE1-CE2 4.35Å; Y188-F220 HydrophobicContact CE1-CZ 4.13Å; Y188-F220 HydrophobicContact CE2-CZ 4.24Å; Y188-F220 AromaticContact CG-CE2 3.6Å; Y188-F220 HydrophobicContact CG-CE2 3.6Å; Y188-F220 AromaticContact CG-CZ 3.65Å; Y188-F220 HydrophobicContact CG-CZ 3.65Å; I202-F220 HydrophobicContact CB-CD1 4.25Å; I202-F220 HydrophobicContact CB-CE1 4.29Å; I202-F220 HydrophobicContact CD1-CD1 3.96Å; I202-F220 HydrophobicContact CD1-CD2 4.05Å; I202-F220 HydrophobicContact CD1-CE1 3.62Å; I202-F220 HydrophobicContact CD1-CE2 3.73Å; I202-F220 HydrophobicContact CD1-CG 4.15Å; I202-F220 HydrophobicContact CD1-CZ 3.5Å; I202-F220 HydrophobicContact CG2-CB 4.21Å; I202-F220 HydrophobicContact CG2-CD1 3.45Å; I202-F220 VanDerWaalsContact CG2-CD1 3.45Å; I202-F220 HydrophobicContact CG2-CE1 3.99Å; I202-F220 HydrophobicContact CG2-CG 3.91Å; G216-F220 PolarHBondContact O-N 3.45Å; G216-F220 VanDerWaalsContact O-N 3.1Å; G217-F220 WeakPolarHBondContact O-CB 3.29Å; G217-F220 PolarHBondContact O-N 3.2Å; G217-F220 VanDerWaalsContact O-N 3.16Å; L218-F220 VanDerWaalsContact C-N 3.25Å; L218-F220 PolarHBondContact O-N 2.93Å; F220-G223 PolarHBondContact O-N 3.02Å; F220-A286 HydrophobicContact CE1-CB 3.62Å; F220-A286 HydrophobicContact CZ-CB 3.83Å
221F86.8Confident68Low8 Ų876.8 Ų76.84%0.03538%0.383CS..Hα-helixtrans-74.9-34.4-178.5-72-71.2000114.4V199 I202 T203 G217 L218 G223 A286 I287 I290 F296 L320V199-F221 HydrophobicContact CG1-CE1 3.72Å; V199-F221 HydrophobicContact CG1-CZ 3.99Å; I202-F221 HydrophobicContact CG2-CE2 3.88Å; I202-F221 HydrophobicContact CG2-CZ 4.27Å; T203-F221 HydrophobicContact CG2-CE1 4.38Å; T203-F221 HydrophobicContact CG2-CE2 4.01Å; T203-F221 HydrophobicContact CG2-CZ 3.48Å; T203-F221 VanDerWaalsContact CG2-CZ 3.48Å; G217-F221 VanDerWaalsContact O-CD2 3.32Å; G217-F221 WeakPolarHBondContact O-CD2 2.98Å; G217-F221 PolarHBondContact O-N 2.94Å; L218-F221 PolarHBondContact O-N 3.36Å; F221-G223 PolarHBondContact O-N 2.93Å; F221-A286 HydrophobicContact CD1-CB 4.08Å; F221-A286 HydrophobicContact CE1-CB 4.1Å; F221-I287 HydrophobicContact CD1-CG1 4.37Å; F221-I290 HydrophobicContact CD1-CD1 4.45Å; F221-I290 HydrophobicContact CE1-CD1 3.92Å; F221-I290 HydrophobicContact CE1-CG1 4.21Å; F221-I290 HydrophobicContact CZ-CD1 4.48Å; F221-F296 HydrophobicContact CE2-CZ 4.48Å; F221-L320 HydrophobicContact CB-CD1 3.43Å; F221-L320 VanDerWaalsContact CB-CD1 3.43Å; F221-L320 HydrophobicContact CB-CD2 4.24Å; F221-L320 HydrophobicContact CB-CG 4.48Å; F221-L320 HydrophobicContact CD2-CD2 4.23Å; F221-L320 HydrophobicContact CG-CD1 4.08Å; F221-L320 HydrophobicContact CG-CD2 4.46Å
222L82.4Confident65Low16 Ų1679.1 Ų79.18%0.08440%0.401CS..Hα-helixtrans-70.3-19.2175.5-66.8176.1000112L218 M316 E319 L320 R323L218-L222 WeakPolarHBondContact O-CB 3.43Å; L218-L222 VanDerWaalsContact O-CG 3.3Å; L218-L222 WeakPolarHBondContact O-CG 3.49Å; L218-L222 PolarHBondContact O-N 3.1Å; L222-M316 HydrophobicContact CD1-CB 3.93Å; L222-M316 HydrophobicContact CD1-CG 4.02Å; L222-E319 HydrophobicContact CD2-CB 3.88Å; L222-E319 HydrophobicContact CD2-CG 3.61Å; L222-L320 HydrophobicContact CD2-CB 4.31Å; L222-R323 VanDerWaalsContact C-NH1 3.34Å; L222-R323 PolarHBondContact O-NH1 2.76Å; L222-R323 PolarHBondContact O-NH2 3.15Å
223G73.4Confident62.1Low37 Ų3777.7 Ų77.738%0.38140%0.401SS..  trans66.4148.5-16000000109.6K219 F220 F221K219-G223 CarbonylContact O-C 3.53Å; K219-G223 PolarHBondContact O-N 3.09Å; F220-G223 PolarHBondContact O-N 3.02Å; F221-G223 PolarHBondContact O-N 2.93Å
224K52.5Low59.1Low134 Ų13482 Ų8258%0.58343%0.432SS*.  trans-72.9140.9147.9-83.2179.9172.1179.50104.9E226K224-E226 HydrophobicContact CB-CG 4.13Å; K224-E226 PolarHBondContact O-N 2.95Å
225D36.6Very low56.3Low149 Ų14989.6 Ų89.680%0.79747%0.467SS*.  trans-57.160.8156-64.5-39.3000109.2D227D225-D227 PolarHBondContact O-N 3Å; D225-D227 VanDerWaalsContact O-N 3.14Å
226E35.2Very low53.3Low136 Ų13692.7 Ų92.764%0.63649%0.49SS*.  trans-75.793150.4-64.3-109.9166.100101.1K224 E228K224-E226 HydrophobicContact CB-CG 4.13Å; K224-E226 PolarHBondContact O-N 2.95Å; E226-E228 PolarHBondContact O-N 3.02Å
227D34.2Very low50.6Low128 Ų12899.3 Ų99.368%0.68452%0.516SS*.  trans-45.474.6144.8-65.9-51.7000106.6D225 K229D225-D227 PolarHBondContact O-N 3Å; D225-D227 VanDerWaalsContact O-N 3.14Å; D227-K229 PolarHBondContact O-N 2.7Å
228E35.1Very low48.1Very low137 Ų137106.1 Ų106.164%0.6455%0.553SS**  trans-60.699.1157.3-86.9-164.1175.100102.4E226 N230E226-E228 PolarHBondContact O-N 3.02Å; E228-N230 PolarHBondContact O-N 3.09Å; E228-N230 PolarHBondContact OE2-ND2 3.35Å
229K33Very low45.9Very low182 Ų182110 Ų11079%0.79157%0.571SS**  trans-51.856.2154-70.1173.2170.6174.80109.5D227 E231D227-K229 PolarHBondContact O-N 2.7Å; K229-E231 PolarHBondContact O-N 3.07Å
230N31.3Very low43.9Very low119 Ų119106.8 Ų106.864%0.63657%0.567SS**  trans-86.432.5155.6-63.9-21.3000108.1E228 S232E228-N230 PolarHBondContact O-N 3.09Å; E228-N230 PolarHBondContact OE2-ND2 3.35Å; N230-S232 PolarHBondContact O-N 3.06Å
231E29.9Very low42.1Very low174 Ų174110.9 Ų110.981%0.81359%0.593SS**  trans-64.557.1131-74.3-177.4166.400108.3K229 D233K229-E231 PolarHBondContact O-N 3.07Å; E231-D233 PolarHBondContact O-N 3.41Å; E231-D233 VanDerWaalsContact O-N 3.09Å
232S25.8Very low40.9Very low97 Ų97112.6 Ų112.668%0.67861%0.607SS**  trans-74.994.2146.9-1670000103.1N230 S234N230-S232 PolarHBondContact O-N 3.06Å; S232-S234 PolarHBondContact O-N 3.33Å
233D30Very low40Very low136 Ų136112.5 Ų112.573%0.72761%0.608SS**  trans-58.960.3168.2-126.7-1.9000108.8E231 E235E231-D233 PolarHBondContact O-N 3.41Å; E231-D233 VanDerWaalsContact O-N 3.09Å; D233-E235 PolarHBondContact O-N 3.1Å
234S27.7Very low39.8Very low98 Ų98116.2 Ų116.269%0.68561%0.611SS**  trans-79.767.6160.2-156.50000105.9S232 S236S232-S234 PolarHBondContact O-N 3.33Å; S234-S236 PolarHBondContact O-N 2.9Å
235E31.9Very low40.6Very low162 Ų162114.4 Ų114.476%0.75761%0.607SS**  trans-59.378.1149-72.1-150.8148.500106.2D233 E237D233-E235 PolarHBondContact O-N 3.1Å; E235-E237 PolarHBondContact O-N 3.37Å
236S27.8Very low42.1Very low92 Ų92109.1 Ų109.164%0.64358%0.579SS**  trans-58.9113.9160.450.10000105.9S234 N238S234-S236 PolarHBondContact O-N 2.9Å; S236-N238 PolarHBondContact O-N 3.23Å
237E33.4Very low43.9Very low156 Ų156106.8 Ų106.873%0.72957%0.569SS**  trans-65.452.1177.2-69.6-149.6-179.600112.6E235 E239E235-E237 PolarHBondContact O-N 3.37Å; E237-E239 PolarHBondContact O-N 3Å
238N37.6Very low45.9Very low144 Ų144104.8 Ų104.877%0.7756%0.561SS**  trans-90.359.9152.7-86.7-16.8000108.3S236 G240S236-N238 PolarHBondContact O-N 3.23Å; N238-G240 PolarHBondContact O-N 3Å
239E43.3Very low47.6Very low81 Ų81104.5 Ų104.538%0.37956%0.558SS.*  trans-58.780.5147.9-86.2-167.3147.400107.4E237 T241 R244E237-E239 PolarHBondContact O-N 3Å; E239-T241 PolarHBondContact O-N 3.01Å; E239-R244 IonicContact OE2-CZ 2.98Å; E239-R244 IonicContact OE2-NE 3Å; E239-R244 PolarHBondContact OE2-NE 3.24Å; E239-R244 IonicContact OE2-NH2 3.07Å; E239-R244 PolarHBondContact OE2-NH2 2.86Å
240G44.7Very low49.5Very low34 Ų3498.4 Ų98.435%0.35153%0.53SS..  trans-51.2138.6170.200000109.2N238 S242 A243N238-G240 PolarHBondContact O-N 3Å; G240-S242 PolarHBondContact O-N 3.28Å; G240-A243 PolarHBondContact O-N 3.48Å
241T52.2Low51.2Low108 Ų10896 Ų9666%0.66352%0.522SS*.Hα-helixtrans-23.4-48.1173.845.90000113.9E239 A243 R244 D245E239-T241 PolarHBondContact O-N 3.01Å; T241-A243 PolarHBondContact O-N 3.49Å; T241-A243 VanDerWaalsContact O-N 3.17Å; T241-R244 PolarHBondContact O-N 2.84Å; T241-D245 PolarHBondContact O-N 3.47Å; T241-D245 VanDerWaalsContact O-OD2 3.1Å
242S60.5Low53.2Low45 Ų4593.3 Ų93.332%0.31552%0.518SS..Hα-helixtrans-51.7-37178.4-173.60000117.2G240 L246 L270G240-S242 PolarHBondContact O-N 3.28Å; S242-L246 WeakPolarHBondContact O-CG 3.31Å; S242-L246 PolarHBondContact O-N 3.48Å; S242-L246 VanDerWaalsContact O-N 3.15Å; S242-L270 VanDerWaalsContact OG-CD1 3.24Å; S242-L270 WeakPolarHBondContact OG-CD1 3.15Å
243A64.7Low55.3Low14 Ų1490.4 Ų90.412%0.11650%0.504CS..Hα-helixtrans-75.4-36.917800000112G240 T241 M247 L270G240-A243 PolarHBondContact O-N 3.48Å; T241-A243 PolarHBondContact O-N 3.49Å; T241-A243 VanDerWaalsContact O-N 3.17Å; A243-M247 PolarHBondContact O-N 2.69Å; A243-M247 VanDerWaalsContact O-N 3.11Å; A243-L270 HydrophobicContact CB-CD2 4.42Å
244R68.7Low57.3Low115 Ų11593 Ų9343%0.43451%0.509SS..Hα-helixtrans-68.7-42.2174.7-68.2179.3-179.3149.8-2.2110.4E239 T241 L246 M247 V248E239-R244 IonicContact OE2-CZ 2.98Å; E239-R244 IonicContact OE2-NE 3Å; E239-R244 PolarHBondContact OE2-NE 3.24Å; E239-R244 IonicContact OE2-NH2 3.07Å; E239-R244 PolarHBondContact OE2-NH2 2.86Å; T241-R244 PolarHBondContact O-N 2.84Å; R244-L246 VanDerWaalsContact C-N 3.34Å; R244-L246 PolarHBondContact O-N 3.28Å; R244-M247 WeakPolarHBondContact O-CB 3.43Å; R244-M247 PolarHBondContact O-N 3.17Å; R244-M247 VanDerWaalsContact O-N 3.08Å; R244-V248 VanDerWaalsContact O-CG2 3.3Å; R244-V248 WeakPolarHBondContact O-CG2 3.47Å; R244-V248 PolarHBondContact O-N 2.92Å
245D68.8Low59.4Low96 Ų9697.9 Ų97.951%0.51352%0.518SS..Hα-helixtrans-60.9-42.1176.9-61.9-22.7000111.6T241 V248 K249T241-D245 PolarHBondContact O-N 3.47Å; T241-D245 VanDerWaalsContact O-OD2 3.1Å; D245-V248 PolarHBondContact O-N 3.04Å; D245-K249 WeakPolarHBondContact O-CB 3.28Å; D245-K249 PolarHBondContact O-N 3.38Å
246L69.4Low61.5Low38 Ų3893.9 Ų93.920%0.19950%0.502CS..Hα-helixtrans-62.1-44.4172.2-78168.4000112S242 R244 V248 K249 Y250 A266 L270S242-L246 WeakPolarHBondContact O-CG 3.31Å; S242-L246 PolarHBondContact O-N 3.48Å; S242-L246 VanDerWaalsContact O-N 3.15Å; R244-L246 VanDerWaalsContact C-N 3.34Å; R244-L246 PolarHBondContact O-N 3.28Å; L246-V248 VanDerWaalsContact C-N 3.34Å; L246-V248 PolarHBondContact O-N 2.88Å; L246-K249 PolarHBondContact O-N 3.03Å; L246-Y250 HydrophobicContact CD2-CE2 4.26Å; L246-Y250 VanDerWaalsContact O-CD2 3.27Å; L246-Y250 WeakPolarHBondContact O-CD2 3.28Å; L246-Y250 PolarHBondContact O-N 3.41Å; L246-A266 HydrophobicContact CD1-CB 4.31Å; L246-A266 HydrophobicContact CD2-CB 4.01Å; L246-L270 HydrophobicContact CD1-CD1 3.78Å
247M71.8Confident63.8Low87 Ų8794.4 Ų94.443%0.42950%0.501SS..Hα-helixtrans-61.7-43.3176.4-74.5-164.3-162.200111.8A243 R244 Y250 S251 L263 M267A243-M247 PolarHBondContact O-N 2.69Å; A243-M247 VanDerWaalsContact O-N 3.11Å; R244-M247 WeakPolarHBondContact O-CB 3.43Å; R244-M247 PolarHBondContact O-N 3.17Å; R244-M247 VanDerWaalsContact O-N 3.08Å; M247-Y250 PolarHBondContact O-N 2.85Å; M247-S251 WeakPolarHBondContact O-CB 3.45Å; M247-S251 PolarHBondContact O-N 3.41Å; M247-S251 PolarHBondContact O-OG 3.33Å; M247-L263 HydrophobicContact CG-CD1 4.44Å; M247-M267 HydrophobicContact CE-CE 3.37Å; M247-M267 HydrophobicContact CE-SD 4.49Å; M247-M267 HydrophobicContact CG-CE 3.39Å; M247-M267 HydrophobicContact SD-CE 4.07Å
248V75.5Confident65.7Low86 Ų8693.7 Ų93.752%0.52150%0.496SS..Hα-helixtrans-62.3-49.6178.4173.30000110.5R244 D245 L246 Y250 S251 T252R244-V248 VanDerWaalsContact O-CG2 3.3Å; R244-V248 WeakPolarHBondContact O-CG2 3.47Å; R244-V248 PolarHBondContact O-N 2.92Å; D245-V248 PolarHBondContact O-N 3.04Å; L246-V248 VanDerWaalsContact C-N 3.34Å; L246-V248 PolarHBondContact O-N 2.88Å; V248-Y250 VanDerWaalsContact C-N 3.3Å; V248-Y250 PolarHBondContact O-N 2.96Å; V248-S251 WeakPolarHBondContact CA-OG 3.48Å; V248-S251 WeakPolarHBondContact O-CB 3.21Å; V248-S251 PolarHBondContact O-N 3Å; V248-S251 PolarHBondContact O-OG 3.44Å; V248-T252 PolarHBondContact O-N 2.85Å
249K70.8Confident67.4Low131 Ų13189.2 Ų89.257%0.5747%0.471SS*.Hα-helixtrans-55.9-39.1179.9-168167.4-171.2164.40113.3D245 L246 T252 D518D245-K249 WeakPolarHBondContact O-CB 3.28Å; D245-K249 PolarHBondContact O-N 3.38Å; L246-K249 PolarHBondContact O-N 3.03Å; K249-T252 PolarHBondContact O-OG1 2.99Å; K249-D518 IonicContact NZ-OD2 3.25Å; K249-D518 PolarHBondContact NZ-OD2 2.94Å
250Y73.2Confident69.1Low54 Ų5491.9 Ų91.921%0.21248%0.482CS..Hα-helixtrans-89.6-9.5178-72.3-77.4000114.1L246 M247 V248 N259 K262 L263L246-Y250 HydrophobicContact CD2-CE2 4.26Å; L246-Y250 VanDerWaalsContact O-CD2 3.27Å; L246-Y250 WeakPolarHBondContact O-CD2 3.28Å; L246-Y250 PolarHBondContact O-N 3.41Å; M247-Y250 PolarHBondContact O-N 2.85Å; V248-Y250 VanDerWaalsContact C-N 3.3Å; V248-Y250 PolarHBondContact O-N 2.96Å; Y250-N259 HydrophobicContact CD1-CB 4.27Å; Y250-K262 HydrophobicContact CE1-CB 3.66Å; Y250-K262 HydrophobicContact CE1-CD 4.29Å; Y250-L263 HydrophobicContact CD1-CB 4.44Å; Y250-L263 HydrophobicContact CD2-CB 3.88Å; Y250-L263 HydrophobicContact CD2-CD1 3.95Å; Y250-L263 HydrophobicContact CD2-CG 4.35Å; Y250-L263 HydrophobicContact CE2-CB 4.46Å; Y250-L263 HydrophobicContact CG-CB 3.88Å; Y250-L263 HydrophobicContact CG-CD1 4.05Å
251S68.4Low70.6Confident67 Ų6795.7 Ų95.747%0.46949%0.489SS..Hα-helixtrans-83.8-31.6178.975.60000113.9M247 V248 G253M247-S251 WeakPolarHBondContact O-CB 3.45Å; M247-S251 PolarHBondContact O-N 3.41Å; M247-S251 PolarHBondContact O-OG 3.33Å; V248-S251 WeakPolarHBondContact CA-OG 3.48Å; V248-S251 WeakPolarHBondContact O-CB 3.21Å; V248-S251 PolarHBondContact O-N 3Å; V248-S251 PolarHBondContact O-OG 3.44Å; S251-G253 VanDerWaalsContact C-N 3.34Å
252T72.1Confident71.7Confident118 Ų11896.2 Ų96.272%0.72448%0.482SS*.SBendtrans-77.7-18.7-175.651.30000112.9V248 K249V248-T252 PolarHBondContact O-N 2.85Å; K249-T252 PolarHBondContact O-OG1 2.99Å
253G68Low72.5Confident37 Ų3795.8 Ų95.838%0.38148%0.476SS..SBendtrans-88.9179.8177.700000115.8S251 K255S251-G253 VanDerWaalsContact C-N 3.34Å; G253-K255 PolarHBondContact O-N 2.92Å
254K72.6Confident73.1Confident189 Ų18999.4 Ų99.482%0.82249%0.49SS*.  trans-59.5123.6174.2-71.1176.2-177.2165.80110.5N256 N259K254-N256 PolarHBondContact O-N 3.13Å; K254-N259 PolarHBondContact O-ND2 2.96Å
255K72.4Confident73.3Confident201 Ų20197.1 Ų97.187%0.87448%0.484SS*.  trans-68.675.7175.4-63.6-169.2180-174.20111.8G253G253-K255 PolarHBondContact O-N 2.92Å
256N76.8Confident73.6Confident79 Ų7992.8 Ų92.842%0.42246%0.461SS..  trans-100.6148.3175-166.8-6.3000110.5K254 K258 N259 K260K254-N256 PolarHBondContact O-N 3.13Å; N256-K258 PolarHBondContact O-N 2.65Å; N256-K258 VanDerWaalsContact O-N 3.11Å; N256-N259 PolarHBondContact O-N 3.03Å; N256-K260 PolarHBondContact O-N 3.26Å; N256-K260 VanDerWaalsContact O-N 3.1Å
257T74.8Confident73.9Confident103 Ų10393.2 Ų93.263%0.63246%0.463SS*.Hα-helixtrans-49.7-32.8170.355.60000113.2K261T257-K261 WeakPolarHBondContact O-CG 3.35Å; T257-K261 PolarHBondContact O-N 2.91Å; T257-K261 VanDerWaalsContact O-N 3.14Å
258K74.1Confident74Confident141 Ų14193.1 Ų93.161%0.61346%0.46SS*.Hα-helixtrans-65.2-46.1175.2-66.1-174.6-179.9-178.90112.9N256 K260 K261 K262N256-K258 PolarHBondContact O-N 2.65Å; N256-K258 VanDerWaalsContact O-N 3.11Å; K258-K260 VanDerWaalsContact C-N 3.35Å; K258-K261 PolarHBondContact O-N 3.46Å; K258-K262 PolarHBondContact O-N 3.46Å
259N73.2Confident74Confident49 Ų4989.8 Ų89.826%0.26244%0.439SS..Hα-helixtrans-68.4-37.3179.4-76.99.7000111.2Y250 K254 N256 K261 K262 L263Y250-N259 HydrophobicContact CD1-CB 4.27Å; K254-N259 PolarHBondContact O-ND2 2.96Å; N256-N259 PolarHBondContact O-N 3.03Å; N259-K261 VanDerWaalsContact C-N 3.33Å; N259-K261 PolarHBondContact O-N 3Å; N259-K262 PolarHBondContact O-N 3.46Å; N259-L263 WeakPolarHBondContact O-CB 3.3Å; N259-L263 PolarHBondContact O-N 2.97Å
260K78.3Confident74.1Confident137 Ų13784.3 Ų84.360%0.59642%0.416SS*.Hα-helixtrans-57.4-45.6172.1-170.4179.2179.6-173.90111.8N256 K258 L263 E264N256-K260 PolarHBondContact O-N 3.26Å; N256-K260 VanDerWaalsContact O-N 3.1Å; K258-K260 VanDerWaalsContact C-N 3.35Å; K260-L263 PolarHBondContact O-N 3.41Å; K260-E264 WeakPolarHBondContact CE-OE1 3.38Å; K260-E264 IonicContact NZ-OE1 2.74Å; K260-E264 WeakPolarHBondContact O-CG 3.36Å; K260-E264 PolarHBondContact O-N 3.48Å
261K76.9Confident74.2Confident114 Ų11488 Ų8850%0.49643%0.433SS..Hα-helixtrans-65.6-36.4176.7-72.2-177.7179.2-170.80113.4T257 K258 N259 K265T257-K261 WeakPolarHBondContact O-CG 3.35Å; T257-K261 PolarHBondContact O-N 2.91Å; T257-K261 VanDerWaalsContact O-N 3.14Å; K258-K261 PolarHBondContact O-N 3.46Å; N259-K261 VanDerWaalsContact C-N 3.33Å; N259-K261 PolarHBondContact O-N 3Å; K261-K265 WeakPolarHBondContact O-CB 3.47Å; K261-K265 PolarHBondContact O-N 3Å
262K75.5Confident74.3Confident120 Ų12089.6 Ų89.652%0.52243%0.432SS..Hα-helixtrans-66.2-43.9175.7-75-171.1172.8-164.20111.5Y250 K258 N259 K265 A266Y250-K262 HydrophobicContact CE1-CB 3.66Å; Y250-K262 HydrophobicContact CE1-CD 4.29Å; K258-K262 PolarHBondContact O-N 3.46Å; N259-K262 PolarHBondContact O-N 3.46Å; K262-K265 PolarHBondContact O-N 2.9Å; K262-A266 WeakPolarHBondContact O-CB 3.32Å; K262-A266 PolarHBondContact O-N 3.32Å
263L76.6Confident74.1Confident36 Ų3685.3 Ų85.319%0.18840%0.404CS..Hα-helixtrans-61.7-45.9174.1174.8133000111.6M247 Y250 N259 K260 K265 A266 M267M247-L263 HydrophobicContact CG-CD1 4.44Å; Y250-L263 HydrophobicContact CD1-CB 4.44Å; Y250-L263 HydrophobicContact CD2-CB 3.88Å; Y250-L263 HydrophobicContact CD2-CD1 3.95Å; Y250-L263 HydrophobicContact CD2-CG 4.35Å; Y250-L263 HydrophobicContact CE2-CB 4.46Å; Y250-L263 HydrophobicContact CG-CB 3.88Å; Y250-L263 HydrophobicContact CG-CD1 4.05Å; N259-L263 WeakPolarHBondContact O-CB 3.3Å; N259-L263 PolarHBondContact O-N 2.97Å; K260-L263 PolarHBondContact O-N 3.41Å; L263-K265 VanDerWaalsContact C-N 3.29Å; L263-K265 PolarHBondContact O-N 3.22Å; L263-A266 PolarHBondContact O-N 3.39Å; L263-M267 HydrophobicContact CD1-CE 4.13Å; L263-M267 HydrophobicContact CD2-CE 3.66Å; L263-M267 HydrophobicContact CD2-SD 4.19Å; L263-M267 HydrophobicContact CG-CE 3.9Å; L263-M267 WeakPolarHBondContact O-CG 3.23Å; L263-M267 PolarHBondContact O-N 3.48Å
264E76.8Confident74.1Confident89 Ų8987.9 Ų87.942%0.41640%0.404SS..Hα-helixtrans-57.6-41174.4-75.6170.2-175.200111.6K260 K268K260-E264 WeakPolarHBondContact CE-OE1 3.38Å; K260-E264 IonicContact NZ-OE1 2.74Å; K260-E264 WeakPolarHBondContact O-CG 3.36Å; K260-E264 PolarHBondContact O-N 3.48Å; E264-K268 WeakPolarHBondContact O-CG 3.33Å; E264-K268 PolarHBondContact O-N 3.05Å; E264-K268 VanDerWaalsContact O-N 3.15Å
265K74.3Confident73.7Confident68 Ų6883.9 Ų83.930%0.29639%0.387SS..Hα-helixtrans-67.2-46.3176.3-169.6-172.7177.3-1550112.2K261 K262 L263 M267 K268 V269 E565 V566 A568K261-K265 WeakPolarHBondContact O-CB 3.47Å; K261-K265 PolarHBondContact O-N 3Å; K262-K265 PolarHBondContact O-N 2.9Å; L263-K265 VanDerWaalsContact C-N 3.29Å; L263-K265 PolarHBondContact O-N 3.22Å; K265-M267 VanDerWaalsContact C-N 3.32Å; K265-M267 PolarHBondContact O-N 3.09Å; K265-K268 WeakPolarHBondContact O-CB 3.48Å; K265-K268 PolarHBondContact O-N 3.32Å; K265-K268 VanDerWaalsContact O-N 3.13Å; K265-V269 PolarHBondContact O-N 3.31Å; K265-E565 WeakPolarHBondContact CE-O 3.5Å; K265-E565 PolarHBondContact NZ-O 3.44Å; K265-V566 PolarHBondContact NZ-O 2.72Å; K265-A568 PolarHBondContact NZ-O 2.85Å
266A73.5Confident73.3Confident4 Ų481.3 Ų81.33%0.03338%0.376CS..Hα-helixtrans-61.4-41.4179.200000111.8L246 K262 L263 K268 V269 L270 V566L246-A266 HydrophobicContact CD1-CB 4.31Å; L246-A266 HydrophobicContact CD2-CB 4.01Å; K262-A266 WeakPolarHBondContact O-CB 3.32Å; K262-A266 PolarHBondContact O-N 3.32Å; L263-A266 PolarHBondContact O-N 3.39Å; A266-K268 VanDerWaalsContact C-N 3.34Å; A266-K268 PolarHBondContact O-N 3.13Å; A266-V269 PolarHBondContact O-N 3.27Å; A266-L270 WeakPolarHBondContact O-CB 3.34Å; A266-L270 PolarHBondContact O-N 3.4Å; A266-V566 HydrophobicContact CB-CG1 4.24Å; A266-V566 HydrophobicContact CB-CG2 4.16Å
267M75.4Confident72.2Confident48 Ų4883.4 Ų83.424%0.23638%0.381CS..Hα-helixtrans-62.3-38.9173-74.7-172.3-174.800112.7M247 L263 K265 L270 K271M247-M267 HydrophobicContact CE-CE 3.37Å; M247-M267 HydrophobicContact CE-SD 4.49Å; M247-M267 HydrophobicContact CG-CE 3.39Å; M247-M267 HydrophobicContact SD-CE 4.07Å; L263-M267 HydrophobicContact CD1-CE 4.13Å; L263-M267 HydrophobicContact CD2-CE 3.66Å; L263-M267 HydrophobicContact CD2-SD 4.19Å; L263-M267 HydrophobicContact CG-CE 3.9Å; L263-M267 WeakPolarHBondContact O-CG 3.23Å; L263-M267 PolarHBondContact O-N 3.48Å; K265-M267 VanDerWaalsContact C-N 3.32Å; K265-M267 PolarHBondContact O-N 3.09Å; M267-L270 PolarHBondContact O-N 2.99Å; M267-K271 WeakPolarHBondContact O-CG 3.18Å; M267-K271 PolarHBondContact O-N 2.68Å
268K75.7Confident71Confident85 Ų8586 Ų8637%0.3738%0.383SS..Hα-helixtrans-64.2-46.7176.4-74.7-176.1-176.4-156.90112.3E264 K265 A266 L270 K271 K272 D582E264-K268 WeakPolarHBondContact O-CG 3.33Å; E264-K268 PolarHBondContact O-N 3.05Å; E264-K268 VanDerWaalsContact O-N 3.15Å; K265-K268 WeakPolarHBondContact O-CB 3.48Å; K265-K268 PolarHBondContact O-N 3.32Å; K265-K268 VanDerWaalsContact O-N 3.13Å; A266-K268 VanDerWaalsContact C-N 3.34Å; A266-K268 PolarHBondContact O-N 3.13Å; K268-L270 VanDerWaalsContact C-N 3.3Å; K268-L270 PolarHBondContact O-N 2.67Å; K268-K271 PolarHBondContact O-N 3.09Å; K268-K272 PolarHBondContact O-N 3.08Å; K268-D582 IonicContact NZ-OD1 3.51Å; K268-D582 PolarHBondContact NZ-OD1 3.46Å
269V74.3Confident69.5Low16 Ų1684.4 Ų84.410%0.09739%0.388CS..Hα-helixtrans-58-45.6175.8172.20000110.6K265 A266 K271 K272 H273 M562 E565 V566K265-V269 PolarHBondContact O-N 3.31Å; A266-V269 PolarHBondContact O-N 3.27Å; V269-K271 PolarHBondContact O-N 2.98Å; V269-K272 WeakPolarHBondContact O-CB 3.21Å; V269-K272 PolarHBondContact O-N 3.15Å; V269-K272 VanDerWaalsContact O-N 3.16Å; V269-H273 PolarHBondContact O-CD2 3.43Å; V269-H273 PolarHBondContact O-N 2.87Å; V269-M562 HydrophobicContact CG1-CB 4.35Å; V269-M562 HydrophobicContact CG1-CG 4.29Å; V269-M562 HydrophobicContact CG1-SD 4.02Å; V269-E565 HydrophobicContact CG1-CB 4.06Å; V269-E565 WeakPolarHBondContact CG1-OE2 3.41Å; V269-E565 HydrophobicContact CG2-CB 4.25Å; V269-V566 HydrophobicContact CB-CG2 4Å; V269-V566 HydrophobicContact CG1-CG2 4.13Å; V269-V566 HydrophobicContact CG2-CG2 3.97Å
270L72.1Confident68.2Low15 Ų1589.2 Ų89.28%0.07941%0.409CS..Hα-helixtrans-63.7-40178.1-172.7137000112.7S242 A243 L246 A266 M267 K268 K274 M562S242-L270 VanDerWaalsContact OG-CD1 3.24Å; S242-L270 WeakPolarHBondContact OG-CD1 3.15Å; A243-L270 HydrophobicContact CB-CD2 4.42Å; L246-L270 HydrophobicContact CD1-CD1 3.78Å; A266-L270 WeakPolarHBondContact O-CB 3.34Å; A266-L270 PolarHBondContact O-N 3.4Å; M267-L270 PolarHBondContact O-N 2.99Å; K268-L270 VanDerWaalsContact C-N 3.3Å; K268-L270 PolarHBondContact O-N 2.67Å; L270-K274 HydrophobicContact CD2-CD 3.89Å; L270-K274 HydrophobicContact CD2-CG 4.45Å; L270-K274 WeakPolarHBondContact O-CB 3.19Å; L270-K274 WeakPolarHBondContact O-CG 3.48Å; L270-K274 PolarHBondContact O-N 3Å; L270-M562 HydrophobicContact CD1-CE 4.2Å; L270-M562 HydrophobicContact CG-CE 4.5Å
271K76.1Confident66.3Low132 Ų13288 Ų8857%0.57441%0.413SS*.Hα-helixtrans-61.9-41.4172.5-76.5-175.1179.5-1650111.9M267 K268 V269 K274 K275M267-K271 WeakPolarHBondContact O-CG 3.18Å; M267-K271 PolarHBondContact O-N 2.68Å; K268-K271 PolarHBondContact O-N 3.09Å; V269-K271 PolarHBondContact O-N 2.98Å; K271-K274 PolarHBondContact O-N 3.44Å; K271-K275 PolarHBondContact O-N 3.37Å
272K71.3Confident64.7Low100 Ų10088.6 Ų88.644%0.43542%0.415SS..Hα-helixtrans-61.6-47.4177.8-171.6-177.5-179-171.20112K268 V269 K275 K276K268-K272 PolarHBondContact O-N 3.08Å; V269-K272 WeakPolarHBondContact O-CB 3.21Å; V269-K272 PolarHBondContact O-N 3.15Å; V269-K272 VanDerWaalsContact O-N 3.16Å; K272-K275 PolarHBondContact O-N 3.18Å; K272-K276 PolarHBondContact O-N 2.9Å; K272-K276 VanDerWaalsContact O-N 3.13Å
273H67.5Low63.2Low29 Ų2989.3 Ų89.313%0.13443%0.425CS..Hα-helixtrans-67.9-34.4176.8-81.4-84.4000112.9V269 K276 K277 M562 E565V269-H273 PolarHBondContact O-CD2 3.43Å; V269-H273 PolarHBondContact O-N 2.87Å; H273-K276 PolarHBondContact O-N 3.2Å; H273-K277 PolarHBondContact O-N 3.02Å; H273-M562 HydrophobicContact CB-SD 3.82Å; H273-M562 PolarHBondContact CD2-SD 3.07Å; H273-E565 IonicContact CD2-OE2 2.62Å; H273-E565 IonicContact NE2-OE2 3.64Å; H273-E565 PolarHBondContact NE2-OE2 3.08Å
274K68.5Low62.1Low90 Ų9094.1 Ų94.139%0.39145%0.445SS..Hα-helixtrans-65.3-40172.4-79.1-173.9174.6-174.80112.5L270 K271 K277 K278L270-K274 HydrophobicContact CD2-CD 3.89Å; L270-K274 HydrophobicContact CD2-CG 4.45Å; L270-K274 WeakPolarHBondContact O-CB 3.19Å; L270-K274 WeakPolarHBondContact O-CG 3.48Å; L270-K274 PolarHBondContact O-N 3Å; K271-K274 PolarHBondContact O-N 3.44Å; K274-K277 PolarHBondContact O-N 3.26Å; K274-K278 PolarHBondContact O-N 2.77Å
275K63.8Low61.7Low106 Ų10691.9 Ų91.946%0.46144%0.439SS..Hα-helixtrans-62.8-44.6175.2-78.9-170.9175.6-171.60111.4K271 K272 K277 K278 E585 D586K271-K275 PolarHBondContact O-N 3.37Å; K272-K275 PolarHBondContact O-N 3.18Å; K275-K277 PolarHBondContact O-N 3.27Å; K275-K278 PolarHBondContact O-N 3.12Å; K275-K278 VanDerWaalsContact O-N 3.12Å; K275-E585 PolarHBondContact NZ-O 2.8Å; K275-D586 IonicContact NZ-OD1 3.01Å; K275-D586 PolarHBondContact NZ-OD1 2.83Å
276K63.3Low62Low146 Ų14689 Ų8964%0.63543%0.427SS*.Hα-helixtrans-59.8-26.7174.5-71-176.3175.3-172.70114.2K272 H273K272-K276 PolarHBondContact O-N 2.9Å; K272-K276 VanDerWaalsContact O-N 3.13Å; H273-K276 PolarHBondContact O-N 3.2Å
277K55.1Low62.5Low124 Ų12488.9 Ų88.954%0.53943%0.426SS..Hα-helixtrans-83.9-17.9178.2-79.2-172.8178.4-173.50113.8H273 K274 K275 P279H273-K277 PolarHBondContact O-N 3.02Å; K274-K277 PolarHBondContact O-N 3.26Å; K275-K277 PolarHBondContact O-N 3.27Å; K277-P279 WeakPolarHBondContact O-CD 3.26Å
278K49.2Very low62.8Low156 Ų15689.2 Ų89.268%0.67843%0.427SS*.SBendtrans-67120.4172.7-72.3-172.9175.7-172.30106.1K274 K275 E280K274-K278 PolarHBondContact O-N 2.77Å; K275-K278 PolarHBondContact O-N 3.12Å; K275-K278 VanDerWaalsContact O-N 3.12Å; K278-E280 PolarHBondContact O-N 3.01Å
279P42.2Very low63.4Low109 Ų10986.6 Ų86.671%0.70842%0.417SS*.  trans-53.8130.6169.123.2-30.6000106.6K277 V281K277-P279 WeakPolarHBondContact O-CD 3.26Å; P279-V281 VanDerWaalsContact C-N 3.3Å; P279-V281 PolarHBondContact O-N 3.26Å
280E45.1Very low64.1Low150 Ų15086.4 Ų86.470%0.70142%0.415SS*.  trans-59.1102.3175-69.1-169.9169.300106.5K278 F282K278-E280 PolarHBondContact O-N 3.01Å; E280-F282 HydrophobicContact CB-CE1 4.28Å; E280-F282 HydrophobicContact CB-CE2 4.2Å; E280-F282 HydrophobicContact CB-CZ 4.01Å; E280-F282 WeakPolarHBondContact O-CD2 3.24Å; E280-F282 PolarHBondContact O-N 3.07Å
281V39.2Very low64.8Low112 Ų11292.3 Ų92.368%0.67944%0.442SS*.  trans-70.692.5170.1-178.20000103.5P279 N283P279-V281 VanDerWaalsContact C-N 3.3Å; P279-V281 PolarHBondContact O-N 3.26Å; V281-N283 PolarHBondContact O-N 3.4Å
282F43.3Very low65.5Low125 Ų12589.9 Ų89.955%0.54844%0.436SS..  trans-62.382.3164.2-58.3-74.5000105.9E280 F284E280-F282 HydrophobicContact CB-CE1 4.28Å; E280-F282 HydrophobicContact CB-CE2 4.2Å; E280-F282 HydrophobicContact CB-CZ 4.01Å; E280-F282 WeakPolarHBondContact O-CD2 3.24Å; E280-F282 PolarHBondContact O-N 3.07Å; F282-F284 WeakPolarHBondContact O-CD2 3.47Å; F282-F284 PolarHBondContact O-N 3.04Å
283N44.3Very low66.4Low136 Ų13686.1 Ų86.173%0.72742%0.421SS*.  trans-56.499.9153.6-72-29.5000102.9V281 S285V281-N283 PolarHBondContact O-N 3.4Å; N283-S285 PolarHBondContact O-N 3.32Å
284F53.2Low67.6Low137 Ų13787.1 Ų87.160%0.60143%0.426SS*.  trans-54.694.9-175.6-78.4-88.2000107.7Y188 F282 A286 H288 L289Y188-F284 PolarHBondContact OH-O 3.19Å; F282-F284 WeakPolarHBondContact O-CD2 3.47Å; F282-F284 PolarHBondContact O-N 3.04Å; F284-A286 PolarHBondContact O-N 3.04Å; F284-H288 HydrophobicContact CD1-CB 4.28Å; F284-L289 HydrophobicContact CB-CD1 4.19Å; F284-L289 HydrophobicContact CB-CD2 4.47Å; F284-L289 HydrophobicContact CB-CG 4.23Å; F284-L289 HydrophobicContact CD1-CD2 4.12Å; F284-L289 HydrophobicContact CD1-CG 4.48Å; F284-L289 HydrophobicContact CG-CD2 4.49Å
285S68.3Low68.8Low42 Ų4285.7 Ų85.729%0.29442%0.423SS..  trans-54.5140.6168.5-179.40000105.5N283 I287 H288N283-S285 PolarHBondContact O-N 3.32Å; S285-I287 PolarHBondContact O-N 3.29Å; S285-H288 WeakPolarHBondContact O-CB 3.35Å; S285-H288 PolarHBondContact O-N 3.37Å
286A79.9Confident70.2Confident7 Ų781.1 Ų81.16%0.05840%0.403CS..G310 helixtrans-53-25.7179.300000111.4Y188 V199 F220 F221 F284 H288 L289Y188-A286 HydrophobicContact CE1-CB 4.11Å; Y188-A286 HydrophobicContact CE2-CB 4.41Å; Y188-A286 VanDerWaalsContact OH-CA 3.27Å; Y188-A286 WeakPolarHBondContact OH-CA 3.24Å; Y188-A286 PolarHBondContact OH-N 3.08Å; V199-A286 HydrophobicContact CG1-CB 4.42Å; V199-A286 WeakPolarHBondContact CG1-O 3.02Å; V199-A286 HydrophobicContact CG2-CB 4.2Å; F220-A286 HydrophobicContact CE1-CB 3.62Å; F220-A286 HydrophobicContact CZ-CB 3.83Å; F221-A286 HydrophobicContact CD1-CB 4.08Å; F221-A286 HydrophobicContact CE1-CB 4.1Å; F284-A286 PolarHBondContact O-N 3.04Å; A286-H288 VanDerWaalsContact C-N 3.33Å; A286-H288 PolarHBondContact O-N 2.96Å; A286-L289 PolarHBondContact O-N 2.93Å
287I83.9Confident71.6Confident1 Ų174.1 Ų74.11%0.00537%0.373CS..G310 helixtrans-60.7-36.8175.5-64.8171.8000113F221 S285 L289 R323 L324 I327 H328F221-I287 HydrophobicContact CD1-CG1 4.37Å; S285-I287 PolarHBondContact O-N 3.29Å; I287-L289 VanDerWaalsContact C-N 3.27Å; I287-L289 PolarHBondContact O-N 3.39Å; I287-R323 HydrophobicContact CD1-CB 4.17Å; I287-L324 HydrophobicContact CG2-CD2 3.77Å; I287-I327 HydrophobicContact CB-CD1 4.3Å; I287-I327 HydrophobicContact CD1-CD1 3.84Å; I287-I327 HydrophobicContact CG2-CB 4.36Å; I287-I327 HydrophobicContact CG2-CD1 3.78Å; I287-I327 HydrophobicContact CG2-CG2 4.19Å; I287-H328 PolarHBondContact O-NE2 2.99Å
288H83.8Confident73.4Confident55 Ų5572.8 Ų72.826%0.25537%0.368SS..G310 helixtrans-74-18-179.9-70.3-56.7000113.4F284 S285 A286 I327 E589F284-H288 HydrophobicContact CD1-CB 4.28Å; S285-H288 WeakPolarHBondContact O-CB 3.35Å; S285-H288 PolarHBondContact O-N 3.37Å; A286-H288 VanDerWaalsContact C-N 3.33Å; A286-H288 PolarHBondContact O-N 2.96Å; H288-I327 WeakPolarHBondContact CE1-CG2 3.49Å; H288-E589 IonicContact CE1-OE1 2.64Å; H288-E589 PolarHBondContact CE1-OE1 2.74Å; H288-E589 IonicContact NE2-OE1 2.75Å; H288-E589 PolarHBondContact NE2-OE1 3Å; H288-E589 IonicContact NE2-OE2 2.8Å; H288-E589 PolarHBondContact NE2-OE2 3.02Å
289L86.6Confident75.5Confident31 Ų3170.2 Ų70.216%0.16236%0.357CS..G310 helixtrans-94.25-176.4-68.9171000113.2Y188 A196 V199 N200 F284 A286 I287Y188-L289 HydrophobicContact CE2-CD1 4.25Å; A196-L289 HydrophobicContact CB-CB 4.46Å; A196-L289 HydrophobicContact CB-CD2 4.41Å; V199-L289 HydrophobicContact CB-CB 4.16Å; V199-L289 HydrophobicContact CG1-CB 4.23Å; V199-L289 HydrophobicContact CG2-CB 3.92Å; V199-L289 HydrophobicContact CG2-CD1 4.02Å; N200-L289 PolarHBondContact ND2-O 3.22Å; F284-L289 HydrophobicContact CB-CD1 4.19Å; F284-L289 HydrophobicContact CB-CD2 4.47Å; F284-L289 HydrophobicContact CB-CG 4.23Å; F284-L289 HydrophobicContact CD1-CD2 4.12Å; F284-L289 HydrophobicContact CD1-CG 4.48Å; F284-L289 HydrophobicContact CG-CD2 4.49Å; A286-L289 PolarHBondContact O-N 2.93Å; I287-L289 VanDerWaalsContact C-N 3.27Å; I287-L289 PolarHBondContact O-N 3.39Å
290I88.8Confident77.8Confident12 Ų1265 Ų656%0.06232%0.323CS..  trans-76.6132.5177-61.3173.5000109V199 T203 F221 P293 F296 L324V199-I290 HydrophobicContact CG1-CG1 3.91Å; T203-I290 HydrophobicContact CG2-CD1 4.38Å; T203-I290 HydrophobicContact CG2-CG1 4.21Å; F221-I290 HydrophobicContact CD1-CD1 4.45Å; F221-I290 HydrophobicContact CE1-CD1 3.92Å; F221-I290 HydrophobicContact CE1-CG1 4.21Å; F221-I290 HydrophobicContact CZ-CD1 4.48Å; I290-P293 HydrophobicContact CG2-CB 4.4Å; I290-F296 HydrophobicContact CD1-CD1 4.06Å; I290-F296 HydrophobicContact CD1-CE1 4.09Å; I290-F296 HydrophobicContact CG2-CD1 4.5Å; I290-L324 HydrophobicContact CD1-CD2 3.72Å
291H87.8Confident80.1Confident138 Ų13858.3 Ų58.364%0.63929%0.292SS*.SBendtrans-72.6-41.9-176.5-69.8176.2000113.5N200N200-H291 PolarHBondContact ND2-CD2 3.24Å; N200-H291 PolarHBondContact ND2-NE2 3.05Å; N200-H291 PolarHBondContact OD1-N 2.73Å
292D91.3Very high82.7Confident82 Ų8260.4 Ų60.444%0.43929%0.292SS..  trans-132.787.8178.4-172.4-13.2000109.4Q294 D295 F296D292-Q294 VanDerWaalsContact C-N 3.31Å; D292-Q294 PolarHBondContact OD1-N 3.44Å; D292-D295 HydrophobicContact CB-CB 4.43Å; D292-D295 PolarHBondContact OD1-N 3.08Å; D292-D295 VanDerWaalsContact OD2-CB 3.24Å; D292-D295 WeakPolarHBondContact OD2-CB 3.03Å; D292-F296 VanDerWaalsContact O-CB 3.24Å; D292-F296 WeakPolarHBondContact O-CB 3.18Å; D292-F296 PolarHBondContact O-N 3.22Å
293P90.4Very high84.9Confident21 Ų2156.3 Ų56.314%0.13628%0.275CS..Hα-helixtrans-69.8-27.8-179.127-33.3000112.7I290 S297 H328 L330I290-P293 HydrophobicContact CG2-CB 4.4Å; P293-S297 WeakPolarHBondContact O-CB 3.16Å; P293-S297 PolarHBondContact O-N 2.94Å; P293-S297 PolarHBondContact O-OG 2.98Å; P293-S297 VanDerWaalsContact O-OG 3.12Å; P293-H328 HydrophobicContact CB-CB 4.32Å; P293-H328 HydrophobicContact CG-CB 4.19Å; P293-L330 HydrophobicContact CB-CD1 4.22Å; P293-L330 HydrophobicContact CB-CD2 4.26Å; P293-L330 HydrophobicContact CG-CD2 4.16Å
294Q91.8Very high87.1Confident49 Ų4949.9 Ų49.923%0.22924%0.24CC..Hα-helixtrans-68.2-59.2179.8-178.269.227.900110.4D292 F296 S297 E298 L330 F331D292-Q294 VanDerWaalsContact C-N 3.31Å; D292-Q294 PolarHBondContact OD1-N 3.44Å; Q294-F296 PolarHBondContact O-N 2.88Å; Q294-S297 PolarHBondContact O-N 3.33Å; Q294-S297 VanDerWaalsContact O-N 3.07Å; Q294-S297 PolarHBondContact O-OG 3.29Å; Q294-E298 PolarHBondContact NE2-OE1 3.27Å; Q294-E298 PolarHBondContact O-N 3.49Å; Q294-L330 HydrophobicContact CB-CD2 4.22Å; Q294-F331 PolarHBondContact NE2-O 3.34Å
295D93.3Very high88.9Confident60 Ų6048.3 Ų48.332%0.32124%0.235SC..Hα-helixtrans-60.6-36179.7176.749.1000111.7D292 S297 K299D292-D295 HydrophobicContact CB-CB 4.43Å; D292-D295 PolarHBondContact OD1-N 3.08Å; D292-D295 VanDerWaalsContact OD2-CB 3.24Å; D292-D295 WeakPolarHBondContact OD2-CB 3.03Å; D295-S297 PolarHBondContact O-N 3.34Å; D295-K299 VanDerWaalsContact CG-NZ 3.33Å; D295-K299 WeakPolarHBondContact O-CB 3.32Å; D295-K299 WeakPolarHBondContact O-CG 3.29Å; D295-K299 PolarHBondContact O-N 3Å; D295-K299 WeakPolarHBondContact OD1-CE 3.32Å; D295-K299 IonicContact OD1-NZ 2.71Å; D295-K299 PolarHBondContact OD1-NZ 3.01Å; D295-K299 WeakPolarHBondContact OD2-CE 3.41Å; D295-K299 IonicContact OD2-NZ 3.89Å; D295-K299 PolarHBondContact OD2-NZ 3.42Å
296F92.8Very high89.8Confident10 Ų1050.5 Ų50.54%0.04425%0.25CC..Hα-helixtrans-59.6-47.7174.5-179.4-128.5000112.1T203 C206 F207 F221 I290 D292 Q294 L300 L320 L324T203-F296 HydrophobicContact CG2-CD1 4.46Å; T203-F296 HydrophobicContact CG2-CD2 4.37Å; T203-F296 HydrophobicContact CG2-CE1 4.11Å; T203-F296 HydrophobicContact CG2-CE2 4.06Å; T203-F296 HydrophobicContact CG2-CZ 3.91Å; C206-F296 HydrophobicContact CB-CE2 4.32Å; C206-F296 HydrophobicContact CB-CZ 4.39Å; F207-F296 HydrophobicContact CD2-CE2 4.5Å; F207-F296 AromaticContact CE2-CD2 3.47Å; F207-F296 HydrophobicContact CE2-CD2 3.47Å; F207-F296 VanDerWaalsContact CE2-CD2 3.47Å; F207-F296 AromaticContact CE2-CE2 3.47Å; F207-F296 HydrophobicContact CE2-CE2 3.47Å; F207-F296 VanDerWaalsContact CE2-CE2 3.47Å; F207-F296 AromaticContact CZ-CD2 3.4Å; F207-F296 HydrophobicContact CZ-CD2 3.4Å; F207-F296 VanDerWaalsContact CZ-CD2 3.4Å; F207-F296 AromaticContact CZ-CE2 3.54Å; F207-F296 HydrophobicContact CZ-CE2 3.54Å; F221-F296 HydrophobicContact CE2-CZ 4.48Å; I290-F296 HydrophobicContact CD1-CD1 4.06Å; I290-F296 HydrophobicContact CD1-CE1 4.09Å; I290-F296 HydrophobicContact CG2-CD1 4.5Å; D292-F296 VanDerWaalsContact O-CB 3.24Å; D292-F296 WeakPolarHBondContact O-CB 3.18Å; D292-F296 PolarHBondContact O-N 3.22Å; Q294-F296 PolarHBondContact O-N 2.88Å; F296-L300 HydrophobicContact CD1-CD1 4.16Å; F296-L300 HydrophobicContact CD2-CD1 4.3Å; F296-L300 HydrophobicContact CD2-CG 4.35Å; F296-L300 HydrophobicContact CE1-CD1 3.72Å; F296-L300 HydrophobicContact CE2-CD1 3.84Å; F296-L300 HydrophobicContact CE2-CD2 4.38Å; F296-L300 HydrophobicContact CE2-CG 4.01Å; F296-L300 HydrophobicContact CG-CD1 4.44Å; F296-L300 HydrophobicContact CZ-CD1 3.53Å; F296-L300 HydrophobicContact CZ-CG 4.21Å; F296-L300 WeakPolarHBondContact O-CB 3.45Å; F296-L300 WeakPolarHBondContact O-CG 3.34Å; F296-L300 PolarHBondContact O-N 3.25Å; F296-L320 HydrophobicContact CE1-CD2 4.25Å; F296-L320 HydrophobicContact CZ-CD2 4.24Å; F296-L324 HydrophobicContact CD1-CD1 3.53Å; F296-L324 HydrophobicContact CD1-CD2 4.45Å; F296-L324 HydrophobicContact CE1-CD1 3.71Å
297S92.8Very high90Very high0 Ų051 Ų510%025%0.253CS..Hα-helixtrans-69.1-37.7-179.366.20000113.1P293 Q294 D295 L300 L301 L332P293-S297 WeakPolarHBondContact O-CB 3.16Å; P293-S297 PolarHBondContact O-N 2.94Å; P293-S297 PolarHBondContact O-OG 2.98Å; P293-S297 VanDerWaalsContact O-OG 3.12Å; Q294-S297 PolarHBondContact O-N 3.33Å; Q294-S297 VanDerWaalsContact O-N 3.07Å; Q294-S297 PolarHBondContact O-OG 3.29Å; D295-S297 PolarHBondContact O-N 3.34Å; S297-L300 PolarHBondContact O-N 3.15Å; S297-L301 PolarHBondContact O-N 2.91Å; S297-L332 WeakPolarHBondContact OG-CD1 3.41Å
298E93.3Very high90.1Very high96 Ų9661 Ų6145%0.44930%0.296SS..Hα-helixtrans-64.8-44.8175.8-72.5-177-168.500112.1Q294 L300 L301 K302 L332Q294-E298 PolarHBondContact NE2-OE1 3.27Å; Q294-E298 PolarHBondContact O-N 3.49Å; E298-L300 VanDerWaalsContact C-N 3.33Å; E298-L300 PolarHBondContact O-N 3.44Å; E298-L301 PolarHBondContact O-N 3.1Å; E298-K302 PolarHBondContact O-N 2.96Å; E298-L332 HydrophobicContact CG-CD1 3.76Å
299K93.2Very high90.2Very high102 Ų10260.8 Ų60.844%0.44330%0.296SS..Hα-helixtrans-61.9-41.7174.9-75.2171.4174.8162.20111.6F207 D295 K302 Q303F207-K299 HydrophobicContact CD1-CB 4.5Å; F207-K299 HydrophobicContact CE1-CB 3.52Å; F207-K299 HydrophobicContact CZ-CB 3.66Å; F207-K299 HydrophobicContact CZ-CD 4.49Å; D295-K299 VanDerWaalsContact CG-NZ 3.33Å; D295-K299 WeakPolarHBondContact O-CB 3.32Å; D295-K299 WeakPolarHBondContact O-CG 3.29Å; D295-K299 PolarHBondContact O-N 3Å; D295-K299 WeakPolarHBondContact OD1-CE 3.32Å; D295-K299 IonicContact OD1-NZ 2.71Å; D295-K299 PolarHBondContact OD1-NZ 3.01Å; D295-K299 WeakPolarHBondContact OD2-CE 3.41Å; D295-K299 IonicContact OD2-NZ 3.89Å; D295-K299 PolarHBondContact OD2-NZ 3.42Å; K299-K302 PolarHBondContact O-N 2.86Å; K299-Q303 PolarHBondContact O-N 3.24Å
300L91.8Very high90.4Very high0 Ų068.7 Ų68.70%032%0.323CS..Hα-helixtrans-63-41.7176-79.9178.2000111.8C206 F207 F296 S297 E298 Q303 L304 L320 I321 L324C206-L300 HydrophobicContact CB-CD2 4.13Å; F207-L300 HydrophobicContact CD1-CD2 4.42Å; F207-L300 HydrophobicContact CE1-CD2 3.77Å; F207-L300 HydrophobicContact CE1-CG 3.93Å; F207-L300 HydrophobicContact CZ-CD2 4.14Å; F207-L300 HydrophobicContact CZ-CG 3.99Å; F296-L300 HydrophobicContact CD1-CD1 4.16Å; F296-L300 HydrophobicContact CD2-CD1 4.3Å; F296-L300 HydrophobicContact CD2-CG 4.35Å; F296-L300 HydrophobicContact CE1-CD1 3.72Å; F296-L300 HydrophobicContact CE2-CD1 3.84Å; F296-L300 HydrophobicContact CE2-CD2 4.38Å; F296-L300 HydrophobicContact CE2-CG 4.01Å; F296-L300 HydrophobicContact CG-CD1 4.44Å; F296-L300 HydrophobicContact CZ-CD1 3.53Å; F296-L300 HydrophobicContact CZ-CG 4.21Å; F296-L300 WeakPolarHBondContact O-CB 3.45Å; F296-L300 WeakPolarHBondContact O-CG 3.34Å; F296-L300 PolarHBondContact O-N 3.25Å; S297-L300 PolarHBondContact O-N 3.15Å; E298-L300 VanDerWaalsContact C-N 3.33Å; E298-L300 PolarHBondContact O-N 3.44Å; L300-Q303 PolarHBondContact O-N 2.98Å; L300-L304 WeakPolarHBondContact O-CB 3.44Å; L300-L304 PolarHBondContact O-N 2.93Å; L300-L320 HydrophobicContact CD1-CD2 3.86Å; L300-L320 HydrophobicContact CD1-CG 4.32Å; L300-I321 HydrophobicContact CB-CD1 4.07Å; L300-I321 HydrophobicContact CB-CG1 4.02Å; L300-I321 HydrophobicContact CD1-CG1 4.41Å; L300-L324 HydrophobicContact CD1-CD1 4.33Å
301L92.6Very high90.4Very high8 Ų870.7 Ų70.74%0.04233%0.332CS..Hα-helixtrans-63-45.7176.4179.162.3000111.3S297 E298 Q303 L304 E305 I321 L332 N334 F335S297-L301 PolarHBondContact O-N 2.91Å; E298-L301 PolarHBondContact O-N 3.1Å; L301-Q303 VanDerWaalsContact C-N 3.27Å; L301-Q303 PolarHBondContact O-N 3.43Å; L301-L304 HydrophobicContact CD1-CD2 4.33Å; L301-L304 WeakPolarHBondContact O-CA 3.48Å; L301-L304 WeakPolarHBondContact O-CB 3.45Å; L301-L304 PolarHBondContact O-N 3.15Å; L301-E305 HydrophobicContact CD1-CG 4.38Å; L301-E305 WeakPolarHBondContact O-CG 3.16Å; L301-E305 PolarHBondContact O-N 2.89Å; L301-I321 HydrophobicContact CB-CD1 4.32Å; L301-L332 HydrophobicContact CB-CD2 3.92Å; L301-L332 HydrophobicContact CD2-CD2 3.44Å; L301-L332 VanDerWaalsContact CD2-CD2 3.44Å; L301-L332 HydrophobicContact CD2-CG 4.49Å; L301-L332 HydrophobicContact CG-CD2 4.2Å; L301-N334 HydrophobicContact CD2-CB 3.85Å; L301-F335 HydrophobicContact CD1-CD2 4.02Å; L301-F335 HydrophobicContact CD2-CB 4.49Å
302K93.4Very high90.5Very high156 Ų15670.5 Ų70.568%0.67833%0.331SS*.Hα-helixtrans-60.3-38.7177.3-172.2173.4-176.4172.60112.2E298 K299 S306E298-K302 PolarHBondContact O-N 2.96Å; K299-K302 PolarHBondContact O-N 2.86Å; K302-S306 PolarHBondContact O-N 2.96Å; K302-S306 PolarHBondContact O-OG 2.98Å
303Q90.3Very high90.4Very high40 Ų4067 Ų6719%0.18731%0.313CS..Hα-helixtrans-66-42172.6-174.8179-9.100111.3C206 F207 K299 L300 L301 E305 S306 S307C206-Q303 PolarHBondContact O-NE2 2.84Å; C206-Q303 PolarHBondContact O-OE1 3.08Å; F207-Q303 VanDerWaalsContact CD1-OE1 3.24Å; K299-Q303 PolarHBondContact O-N 3.24Å; L300-Q303 PolarHBondContact O-N 2.98Å; L301-Q303 VanDerWaalsContact C-N 3.27Å; L301-Q303 PolarHBondContact O-N 3.43Å; Q303-E305 PolarHBondContact O-N 3.37Å; Q303-S306 PolarHBondContact O-N 2.94Å; Q303-S306 PolarHBondContact O-OG 2.67Å; Q303-S307 WeakPolarHBondContact O-CA 3.45Å; Q303-S307 WeakPolarHBondContact O-CB 3.41Å; Q303-S307 PolarHBondContact O-N 3.19Å
304L90.6Very high90.5Very high0 Ų067.9 Ų67.90%032%0.315CS..Hα-helixtrans-61.3-44.2178.6178.259.5000112.1L300 L301 S306 S307 K314 M317 M318 I321 F338L300-L304 WeakPolarHBondContact O-CB 3.44Å; L300-L304 PolarHBondContact O-N 2.93Å; L301-L304 HydrophobicContact CD1-CD2 4.33Å; L301-L304 WeakPolarHBondContact O-CA 3.48Å; L301-L304 WeakPolarHBondContact O-CB 3.45Å; L301-L304 PolarHBondContact O-N 3.15Å; L304-S306 PolarHBondContact O-N 3.1Å; L304-S307 PolarHBondContact O-N 3.24Å; L304-S307 PolarHBondContact O-OG 2.74Å; L304-K314 HydrophobicContact CD1-CB 3.77Å; L304-K314 HydrophobicContact CD1-CD 4.42Å; L304-K314 HydrophobicContact CD1-CG 3.95Å; L304-M317 HydrophobicContact CB-SD 4.39Å; L304-M317 HydrophobicContact CD1-CB 4.02Å; L304-M317 HydrophobicContact CD1-SD 4.03Å; L304-M317 HydrophobicContact CD2-CB 4.44Å; L304-M318 HydrophobicContact CD2-CG 3.73Å; L304-I321 HydrophobicContact CD2-CD1 3.97Å; L304-F338 HydrophobicContact CD1-CE1 4.38Å; L304-F338 HydrophobicContact CD1-CZ 4.39Å; L304-F338 HydrophobicContact CD2-CD1 4.21Å; L304-F338 HydrophobicContact CD2-CE1 3.51Å; L304-F338 HydrophobicContact CD2-CZ 4.16Å; L304-F338 HydrophobicContact CG-CE1 3.67Å; L304-F338 HydrophobicContact CG-CZ 3.77Å
305E89.8Confident90.5Very high104 Ų10465.8 Ų65.849%0.48631%0.305SS..Hα-helixtrans-61.7-42177.2-72.1179.4166.400112.6L301 Q303 F338L301-E305 HydrophobicContact CD1-CG 4.38Å; L301-E305 WeakPolarHBondContact O-CG 3.16Å; L301-E305 PolarHBondContact O-N 2.89Å; Q303-E305 PolarHBondContact O-N 3.37Å; E305-F338 HydrophobicContact CG-CD2 4.1Å; E305-F338 HydrophobicContact CG-CE2 4.12Å
306S88.6Confident90.3Very high88 Ų8864.6 Ų64.662%0.61530%0.298SS*.Hα-helixtrans-84.5-14.2-179.957.10000114.2K302 Q303 L304 K308K302-S306 PolarHBondContact O-N 2.96Å; K302-S306 PolarHBondContact O-OG 2.98Å; Q303-S306 PolarHBondContact O-N 2.94Å; Q303-S306 PolarHBondContact O-OG 2.67Å; L304-S306 PolarHBondContact O-N 3.1Å; S306-K308 PolarHBondContact O-N 3.24Å
307S83.8Confident90.3Very high17 Ų1764.1 Ų64.112%0.11930%0.296CS..  trans-67.6132.8-173.267.90000113Q303 L304 E309 K314Q303-S307 WeakPolarHBondContact O-CA 3.45Å; Q303-S307 WeakPolarHBondContact O-CB 3.41Å; Q303-S307 PolarHBondContact O-N 3.19Å; L304-S307 PolarHBondContact O-N 3.24Å; L304-S307 PolarHBondContact O-OG 2.74Å; S307-E309 VanDerWaalsContact C-N 3.34Å; S307-K314 VanDerWaalsContact O-CE 3.22Å; S307-K314 WeakPolarHBondContact O-CE 3.27Å; S307-K314 PolarHBondContact O-NZ 2.92Å; S307-K314 WeakPolarHBondContact OG-CE 3.43Å
308K85.2Confident90.2Very high211 Ų21164.1 Ų64.192%0.91730%0.296SS*.  trans-97.716.3168.2-63.3-177.1-178.9179.60112.6S306S306-K308 PolarHBondContact O-N 3.24Å
309E87.2Confident90.1Very high52 Ų5261.2 Ų61.224%0.24328%0.282CS..  trans-69163.5-176.8-71.6-69-178.800112.6T211 S307 V313 K314T211-E309 WeakPolarHBondContact CG2-OE2 3.35Å; T211-E309 PolarHBondContact OG1-OE1 2.89Å; T211-E309 PolarHBondContact OG1-OE2 2.82Å; S307-E309 VanDerWaalsContact C-N 3.34Å; E309-V313 HydrophobicContact CB-CB 4.25Å; E309-V313 HydrophobicContact CB-CG1 4.38Å; E309-K314 WeakPolarHBondContact O-CE 3.34Å
310R89.3Confident89.9Confident196 Ų19656.4 Ų56.474%0.7426%0.261SS*.  trans-56.8145.8174.7-66-176.5-179.3-174.6-0.9110.7E312 V313 K314R310-E312 PolarHBondContact O-N 3.01Å; R310-E312 VanDerWaalsContact O-N 3.17Å; R310-V313 WeakPolarHBondContact O-CB 3.24Å; R310-V313 PolarHBondContact O-N 3.2Å; R310-K314 PolarHBondContact O-N 2.93Å
311F89Confident89.9Confident54 Ų5456.4 Ų56.424%0.23726%0.261CS..Hα-helixtrans-57.8-33.9-176.3-167-111.8000113.8V313 K314 I315 F342 Q347 I353F311-V313 VanDerWaalsContact C-N 3.3Å; F311-V313 PolarHBondContact O-N 3.49Å; F311-K314 WeakPolarHBondContact O-CB 3.23Å; F311-K314 PolarHBondContact O-N 3.38Å; F311-K314 VanDerWaalsContact O-N 3.12Å; F311-I315 HydrophobicContact CD1-CD1 3.64Å; F311-I315 HydrophobicContact CD1-CG1 4.19Å; F311-I315 HydrophobicContact CE1-CD1 3.48Å; F311-I315 VanDerWaalsContact CE1-CD1 3.48Å; F311-I315 HydrophobicContact CE1-CG1 3.9Å; F311-I315 HydrophobicContact CZ-CD1 4.3Å; F311-I315 HydrophobicContact CZ-CG1 4.25Å; F311-I315 PolarHBondContact O-N 3.21Å; F311-F342 AromaticContact CE2-CD1 3.93Å; F311-F342 HydrophobicContact CE2-CD1 3.93Å; F311-F342 AromaticContact CE2-CE1 3.93Å; F311-F342 HydrophobicContact CE2-CE1 3.93Å; F311-F342 HydrophobicContact CZ-CD1 4.24Å; F311-Q347 HydrophobicContact CE1-CG 4.38Å; F311-Q347 HydrophobicContact CZ-CG 4.17Å; F311-I353 HydrophobicContact CE1-CD1 4.29Å; F311-I353 HydrophobicContact CZ-CD1 3.83Å
312E89.4Confident89.9Confident134 Ų13456 Ų5663%0.62626%0.259SS*.Hα-helixtrans-58.4-39.1173.8-65.7171.1-16800112.8R310 I315 M316R310-E312 PolarHBondContact O-N 3.01Å; R310-E312 VanDerWaalsContact O-N 3.17Å; E312-I315 PolarHBondContact O-N 3.04Å; E312-M316 PolarHBondContact O-N 3.06Å; E312-M316 VanDerWaalsContact O-N 3.12Å
313V90.9Very high89.6Confident9 Ų950 Ų506%0.05523%0.232CC..Hα-helixtrans-70.2-37.6177-176.40000110.4T211 V215 L218 E309 R310 F311 M316 M317T211-V313 HydrophobicContact CG2-CG2 4.09Å; V215-V313 HydrophobicContact CG2-CG1 4.27Å; V215-V313 HydrophobicContact CG2-CG2 3.86Å; L218-V313 HydrophobicContact CD1-CG1 4.3Å; E309-V313 HydrophobicContact CB-CB 4.25Å; E309-V313 HydrophobicContact CB-CG1 4.38Å; R310-V313 WeakPolarHBondContact O-CB 3.24Å; R310-V313 PolarHBondContact O-N 3.2Å; F311-V313 VanDerWaalsContact C-N 3.3Å; F311-V313 PolarHBondContact O-N 3.49Å; V313-M316 HydrophobicContact CB-CE 4.25Å; V313-M316 HydrophobicContact CG1-CE 4.49Å; V313-M316 HydrophobicContact CG2-CE 4.02Å; V313-M316 PolarHBondContact O-N 3.49Å; V313-M317 HydrophobicContact CG1-CE 4.13Å; V313-M317 WeakPolarHBondContact O-CG 3.35Å; V313-M317 PolarHBondContact O-N 3.05Å
314K91Very high89.5Confident40 Ų4048 Ų4817%0.17422%0.223CC..Hα-helixtrans-62.2-41.9174.3-62.4-168.2177.6-158.20111.9L304 S307 E309 R310 F311 M317 M318L304-K314 HydrophobicContact CD1-CB 3.77Å; L304-K314 HydrophobicContact CD1-CD 4.42Å; L304-K314 HydrophobicContact CD1-CG 3.95Å; S307-K314 VanDerWaalsContact O-CE 3.22Å; S307-K314 WeakPolarHBondContact O-CE 3.27Å; S307-K314 PolarHBondContact O-NZ 2.92Å; S307-K314 WeakPolarHBondContact OG-CE 3.43Å; E309-K314 WeakPolarHBondContact O-CE 3.34Å; R310-K314 PolarHBondContact O-N 2.93Å; F311-K314 WeakPolarHBondContact O-CB 3.23Å; F311-K314 PolarHBondContact O-N 3.38Å; F311-K314 VanDerWaalsContact O-N 3.12Å; K314-M317 WeakPolarHBondContact O-CB 3.43Å; K314-M317 PolarHBondContact O-N 3.23Å; K314-M318 VanDerWaalsContact O-CG 3.3Å; K314-M318 WeakPolarHBondContact O-CG 3.01Å; K314-M318 PolarHBondContact O-N 3.32Å
315I91.6Very high89.5Confident5 Ų548.1 Ų48.13%0.02622%0.223CC..Hα-helixtrans-62-44.9174.7-68.7163.9000110.7F311 E312 M317 M318 E319 E349 K352F311-I315 HydrophobicContact CD1-CD1 3.64Å; F311-I315 HydrophobicContact CD1-CG1 4.19Å; F311-I315 HydrophobicContact CE1-CD1 3.48Å; F311-I315 VanDerWaalsContact CE1-CD1 3.48Å; F311-I315 HydrophobicContact CE1-CG1 3.9Å; F311-I315 HydrophobicContact CZ-CD1 4.3Å; F311-I315 HydrophobicContact CZ-CG1 4.25Å; F311-I315 PolarHBondContact O-N 3.21Å; E312-I315 PolarHBondContact O-N 3.04Å; I315-M317 VanDerWaalsContact C-N 3.28Å; I315-M317 PolarHBondContact O-N 2.91Å; I315-M318 WeakPolarHBondContact O-CB 3.49Å; I315-M318 PolarHBondContact O-N 3.05Å; I315-E319 WeakPolarHBondContact O-CB 3.3Å; I315-E319 PolarHBondContact O-N 3.01Å; I315-E349 HydrophobicContact CD1-CB 3.98Å; I315-E349 WeakPolarHBondContact CD1-OE2 3.28Å; I315-K352 HydrophobicContact CG2-CB 4.12Å; I315-K352 HydrophobicContact CG2-CD 3.99Å
316M90Very high89.3Confident34 Ų3444.6 Ų44.617%0.16722%0.215CC..Hα-helixtrans-60.7-36.9176.7-72.5-174.9-6900112.5V215 L218 K219 L222 E312 V313 L320V215-M316 HydrophobicContact CB-CE 4.45Å; V215-M316 HydrophobicContact CG1-CE 4.08Å; V215-M316 HydrophobicContact CG2-CE 3.78Å; L218-M316 HydrophobicContact CB-CB 4.36Å; L218-M316 HydrophobicContact CD1-CB 3.9Å; K219-M316 HydrophobicContact CG-SD 4.41Å; L222-M316 HydrophobicContact CD1-CB 3.93Å; L222-M316 HydrophobicContact CD1-CG 4.02Å; E312-M316 PolarHBondContact O-N 3.06Å; E312-M316 VanDerWaalsContact O-N 3.12Å; V313-M316 HydrophobicContact CB-CE 4.25Å; V313-M316 HydrophobicContact CG1-CE 4.49Å; V313-M316 HydrophobicContact CG2-CE 4.02Å; V313-M316 PolarHBondContact O-N 3.49Å; M316-L320 PolarHBondContact O-N 3.32Å; M316-L320 VanDerWaalsContact O-N 3.09Å
317M91.8Very high89.2Confident1 Ų141.7 Ų41.71%0.00519%0.192CC..Hα-helixtrans-66.8-45.6173.6-70.7175.5173.200111.8I214 L218 L304 V313 K314 I315 E319 L320 I321I214-M317 HydrophobicContact CG2-CE 3.62Å; L218-M317 HydrophobicContact CD1-CE 4.43Å; L218-M317 HydrophobicContact CD1-CG 3.66Å; L218-M317 HydrophobicContact CD2-CG 4.22Å; L304-M317 HydrophobicContact CB-SD 4.39Å; L304-M317 HydrophobicContact CD1-CB 4.02Å; L304-M317 HydrophobicContact CD1-SD 4.03Å; L304-M317 HydrophobicContact CD2-CB 4.44Å; V313-M317 HydrophobicContact CG1-CE 4.13Å; V313-M317 WeakPolarHBondContact O-CG 3.35Å; V313-M317 PolarHBondContact O-N 3.05Å; K314-M317 WeakPolarHBondContact O-CB 3.43Å; K314-M317 PolarHBondContact O-N 3.23Å; I315-M317 VanDerWaalsContact C-N 3.28Å; I315-M317 PolarHBondContact O-N 2.91Å; M317-E319 VanDerWaalsContact C-N 3.29Å; M317-E319 PolarHBondContact O-N 3.22Å; M317-L320 PolarHBondContact O-N 2.96Å; M317-I321 VanDerWaalsContact O-CG1 3.27Å; M317-I321 WeakPolarHBondContact O-CG1 3.39Å; M317-I321 PolarHBondContact O-N 3.14Å
318M92.1Very high89.2Confident0 Ų043.6 Ų43.60%020%0.199CC..Hα-helixtrans-58.6-42.6176-69.5167.9179.900111.5L304 K314 I315 I321 S322 F338 F342L304-M318 HydrophobicContact CD2-CG 3.73Å; K314-M318 VanDerWaalsContact O-CG 3.3Å; K314-M318 WeakPolarHBondContact O-CG 3.01Å; K314-M318 PolarHBondContact O-N 3.32Å; I315-M318 WeakPolarHBondContact O-CB 3.49Å; I315-M318 PolarHBondContact O-N 3.05Å; M318-I321 PolarHBondContact O-N 3.48Å; M318-S322 WeakPolarHBondContact O-CB 3.38Å; M318-S322 PolarHBondContact O-N 3.05Å; M318-S322 PolarHBondContact O-OG 3.02Å; M318-F338 HydrophobicContact CE-CD1 4.17Å; M318-F338 HydrophobicContact CE-CE1 3.39Å; M318-F338 HydrophobicContact CE-CZ 4.16Å; M318-F342 HydrophobicContact CE-CD2 3.65Å; M318-F342 HydrophobicContact CE-CE2 3.56Å; M318-F342 HydrophobicContact CE-CG 4.39Å; M318-F342 HydrophobicContact CE-CZ 4.23Å
319E89.8Confident89.3Confident35 Ų3537.9 Ų37.916%0.16418%0.176CC..Hα-helixtrans-66.8-38.5180-167.7-177.6174.400111.8L222 I315 M317 S322 R323 C356L222-E319 HydrophobicContact CD2-CB 3.88Å; L222-E319 HydrophobicContact CD2-CG 3.61Å; I315-E319 WeakPolarHBondContact O-CB 3.3Å; I315-E319 PolarHBondContact O-N 3.01Å; M317-E319 VanDerWaalsContact C-N 3.29Å; M317-E319 PolarHBondContact O-N 3.22Å; E319-S322 WeakPolarHBondContact CA-OG 3.46Å; E319-S322 PolarHBondContact O-OG 2.79Å; E319-R323 VanDerWaalsContact O-CG 3.22Å; E319-R323 WeakPolarHBondContact O-CG 3.41Å; E319-R323 PolarHBondContact O-N 2.82Å; E319-R323 VanDerWaalsContact O-N 3.1Å; E319-R323 IonicContact OE1-CZ 4Å; E319-R323 IonicContact OE1-NE 2.71Å; E319-R323 IonicContact OE1-NH2 3.02Å; E319-R323 PolarHBondContact OE1-NH2 3.16Å; E319-C356 VanDerWaalsContact CA-SG 3.57Å
320L90.3Very high89.4Confident0 Ų035.9 Ų35.90%017%0.167CC..Hα-helixtrans-66.3-46.4174.5-179.957.7000111L218 F221 L222 F296 L300 M316 M317 S322 R323 L324L218-L320 HydrophobicContact CD2-CB 4.26Å; L218-L320 HydrophobicContact CD2-CD2 3.55Å; F221-L320 HydrophobicContact CB-CD1 3.43Å; F221-L320 VanDerWaalsContact CB-CD1 3.43Å; F221-L320 HydrophobicContact CB-CD2 4.24Å; F221-L320 HydrophobicContact CB-CG 4.48Å; F221-L320 HydrophobicContact CD2-CD2 4.23Å; F221-L320 HydrophobicContact CG-CD1 4.08Å; F221-L320 HydrophobicContact CG-CD2 4.46Å; L222-L320 HydrophobicContact CD2-CB 4.31Å; F296-L320 HydrophobicContact CE1-CD2 4.25Å; F296-L320 HydrophobicContact CZ-CD2 4.24Å; L300-L320 HydrophobicContact CD1-CD2 3.86Å; L300-L320 HydrophobicContact CD1-CG 4.32Å; M316-L320 PolarHBondContact O-N 3.32Å; M316-L320 VanDerWaalsContact O-N 3.09Å; M317-L320 PolarHBondContact O-N 2.96Å; L320-S322 VanDerWaalsContact C-N 3.33Å; L320-S322 PolarHBondContact O-N 3.43Å; L320-R323 PolarHBondContact O-N 3.17Å; L320-L324 HydrophobicContact CD1-CD1 4.42Å; L320-L324 HydrophobicContact CD1-CG 4.32Å; L320-L324 HydrophobicContact CG-CD1 4.16Å; L320-L324 WeakPolarHBondContact O-CG 3.37Å; L320-L324 PolarHBondContact O-N 3.31Å
321I92.3Very high89.5Confident0 Ų031 Ų310%015%0.151CC..Hα-helixtrans-59.6-45.2178.1-66.2164.6000110.1L300 L301 L304 M317 M318 R323 L324 V325 L332 F335L300-I321 HydrophobicContact CB-CD1 4.07Å; L300-I321 HydrophobicContact CB-CG1 4.02Å; L300-I321 HydrophobicContact CD1-CG1 4.41Å; L301-I321 HydrophobicContact CB-CD1 4.32Å; L304-I321 HydrophobicContact CD2-CD1 3.97Å; M317-I321 VanDerWaalsContact O-CG1 3.27Å; M317-I321 WeakPolarHBondContact O-CG1 3.39Å; M317-I321 PolarHBondContact O-N 3.14Å; M318-I321 PolarHBondContact O-N 3.48Å; I321-R323 VanDerWaalsContact C-N 3.33Å; I321-R323 PolarHBondContact O-N 3.07Å; I321-L324 PolarHBondContact O-N 2.63Å; I321-V325 HydrophobicContact CG2-CG2 4.21Å; I321-V325 VanDerWaalsContact O-CG2 3.29Å; I321-V325 WeakPolarHBondContact O-CG2 3.37Å; I321-V325 PolarHBondContact O-N 3.14Å; I321-L332 HydrophobicContact CG2-CD2 4.22Å; I321-F335 HydrophobicContact CB-CE2 4Å; I321-F335 HydrophobicContact CB-CZ 4.06Å; I321-F335 HydrophobicContact CD1-CE2 4.33Å; I321-F335 HydrophobicContact CG2-CD1 4.36Å; I321-F335 HydrophobicContact CG2-CD2 3.86Å; I321-F335 HydrophobicContact CG2-CE1 4.17Å; I321-F335 HydrophobicContact CG2-CE2 3.65Å; I321-F335 HydrophobicContact CG2-CG 4.19Å; I321-F335 HydrophobicContact CG2-CZ 3.79Å
322S90.9Very high89.4Confident0 Ų028.9 Ų28.90%014%0.142CC..Hα-helixtrans-64.4-36.5-179.863.70000113.3M318 E319 L320 G326 C356 Q359M318-S322 WeakPolarHBondContact O-CB 3.38Å; M318-S322 PolarHBondContact O-N 3.05Å; M318-S322 PolarHBondContact O-OG 3.02Å; E319-S322 WeakPolarHBondContact CA-OG 3.46Å; E319-S322 PolarHBondContact O-OG 2.79Å; L320-S322 VanDerWaalsContact C-N 3.33Å; L320-S322 PolarHBondContact O-N 3.43Å; S322-G326 PolarHBondContact O-N 2.63Å; S322-C356 WeakPolarHBondContact CB-O 3.45Å; S322-C356 WeakPolarHBondContact OG-CA 3.4Å; S322-Q359 PolarHBondContact OG-OE1 2.65Å
323R87.9Confident89.5Confident29 Ų2926.7 Ų26.711%0.10913%0.131CC..Hα-helixtrans-67.6-41.4174.2-69.2-179.7-170.7-162.77.6111.9L222 I287 E319 L320 I321 G326 I327 L590L222-R323 VanDerWaalsContact C-NH1 3.34Å; L222-R323 PolarHBondContact O-NH1 2.76Å; L222-R323 PolarHBondContact O-NH2 3.15Å; I287-R323 HydrophobicContact CD1-CB 4.17Å; E319-R323 VanDerWaalsContact O-CG 3.22Å; E319-R323 WeakPolarHBondContact O-CG 3.41Å; E319-R323 PolarHBondContact O-N 2.82Å; E319-R323 VanDerWaalsContact O-N 3.1Å; E319-R323 IonicContact OE1-CZ 4Å; E319-R323 IonicContact OE1-NE 2.71Å; E319-R323 IonicContact OE1-NH2 3.02Å; E319-R323 PolarHBondContact OE1-NH2 3.16Å; L320-R323 PolarHBondContact O-N 3.17Å; I321-R323 VanDerWaalsContact C-N 3.33Å; I321-R323 PolarHBondContact O-N 3.07Å; R323-G326 PolarHBondContact O-N 3.23Å; R323-I327 WeakPolarHBondContact O-CB 3.37Å; R323-I327 VanDerWaalsContact O-CG1 3.28Å; R323-I327 WeakPolarHBondContact O-CG1 3.06Å; R323-I327 PolarHBondContact O-N 3.04Å; R323-L590 HydrophobicContact CB-CD2 4.07Å; R323-L590 HydrophobicContact CG-CD1 4.44Å; R323-L590 HydrophobicContact CG-CD2 3.74Å
324L88.6Confident89.5Confident0 Ų031.8 Ų31.80%016%0.158CC..Hα-helixtrans-62.2-47.5176.5-69.7170.6000111.5I287 I290 F296 L300 L320 I321 I327 H328 L330I287-L324 HydrophobicContact CG2-CD2 3.77Å; I290-L324 HydrophobicContact CD1-CD2 3.72Å; F296-L324 HydrophobicContact CD1-CD1 3.53Å; F296-L324 HydrophobicContact CD1-CD2 4.45Å; F296-L324 HydrophobicContact CE1-CD1 3.71Å; L300-L324 HydrophobicContact CD1-CD1 4.33Å; L320-L324 HydrophobicContact CD1-CD1 4.42Å; L320-L324 HydrophobicContact CD1-CG 4.32Å; L320-L324 HydrophobicContact CG-CD1 4.16Å; L320-L324 WeakPolarHBondContact O-CG 3.37Å; L320-L324 PolarHBondContact O-N 3.31Å; I321-L324 PolarHBondContact O-N 2.63Å; L324-I327 PolarHBondContact O-N 3.34Å; L324-H328 WeakPolarHBondContact O-CB 3.45Å; L324-H328 PolarHBondContact O-N 3.47Å; L324-L330 HydrophobicContact CB-CD1 3.94Å
325V90.1Very high89.6Confident1 Ų130 Ų301%0.00615%0.15CC..Hα-helixtrans-61.7-44.7178.5172.30000111.3I321 E329 L330 L332 A360I321-V325 HydrophobicContact CG2-CG2 4.21Å; I321-V325 VanDerWaalsContact O-CG2 3.29Å; I321-V325 WeakPolarHBondContact O-CG2 3.37Å; I321-V325 PolarHBondContact O-N 3.14Å; V325-E329 WeakPolarHBondContact O-CA 3.4Å; V325-E329 PolarHBondContact O-N 3.27Å; V325-L330 HydrophobicContact CB-CB 4.48Å; V325-L330 HydrophobicContact CG2-CB 4.19Å; V325-L330 PolarHBondContact O-N 3.34Å; V325-L332 HydrophobicContact CG2-CB 4.15Å; V325-A360 HydrophobicContact CB-CB 4.25Å; V325-A360 HydrophobicContact CG1-CB 4.02Å; V325-A360 VanDerWaalsContact CG1-O 3.31Å; V325-A360 WeakPolarHBondContact CG1-O 3.49Å
326G86Confident89.6Confident31 Ų3129.9 Ų29.932%0.3215%0.149SC..Hα-helixtrans-69.8-34.5-178.800000114.5S322 R323 Q359S322-G326 PolarHBondContact O-N 2.63Å; R323-G326 PolarHBondContact O-N 3.23Å; G326-Q359 VanDerWaalsContact CA-O 3.3Å; G326-Q359 WeakPolarHBondContact CA-O 3.18Å
327I85.1Confident89.7Confident26 Ų2631.1 Ų31.113%0.13316%0.16CC..Hα-helixtrans-81-48.2-178-71.4169.9000111.6I287 H288 R323 L324 E589 L590I287-I327 HydrophobicContact CB-CD1 4.3Å; I287-I327 HydrophobicContact CD1-CD1 3.84Å; I287-I327 HydrophobicContact CG2-CB 4.36Å; I287-I327 HydrophobicContact CG2-CD1 3.78Å; I287-I327 HydrophobicContact CG2-CG2 4.19Å; H288-I327 WeakPolarHBondContact CE1-CG2 3.49Å; R323-I327 WeakPolarHBondContact O-CB 3.37Å; R323-I327 VanDerWaalsContact O-CG1 3.28Å; R323-I327 WeakPolarHBondContact O-CG1 3.06Å; R323-I327 PolarHBondContact O-N 3.04Å; L324-I327 PolarHBondContact O-N 3.34Å; I327-E589 HydrophobicContact CG1-CG 4.07Å; I327-E589 WeakPolarHBondContact CG2-OE1 3.34Å; I327-L590 HydrophobicContact CD1-CD2 3.78Å; I327-L590 HydrophobicContact CD1-CG 4.44Å; I327-L590 HydrophobicContact CG1-CD2 4.12Å
328H85.1Confident89.7Confident57 Ų5731.9 Ų31.926%0.26416%0.163SC..Hα-helixtrans-94.54.3-175-67.9-78000113.1I287 P293 L324 L330I287-H328 PolarHBondContact O-NE2 2.99Å; P293-H328 HydrophobicContact CB-CB 4.32Å; P293-H328 HydrophobicContact CG-CB 4.19Å; L324-H328 WeakPolarHBondContact O-CB 3.45Å; L324-H328 PolarHBondContact O-N 3.47Å; H328-L330 VanDerWaalsContact C-N 3.34Å; H328-L330 HydrophobicContact CB-CD1 4.33Å; H328-L330 HydrophobicContact CB-CD2 3.56Å; H328-L330 HydrophobicContact CB-CG 3.75Å; H328-L330 PolarHBondContact O-N 2.91Å
329E87.4Confident89.6Confident92 Ų9231.9 Ų31.943%0.4316%0.163SC..THydrogen-bonded Turntrans51.448.7-178.5-57.1-171.8150.400112.9V325 H362 L364V325-E329 WeakPolarHBondContact O-CA 3.4Å; V325-E329 PolarHBondContact O-N 3.27Å; E329-H362 HydrophobicContact CG-CB 4.43Å; E329-H362 PolarHBondContact O-CE1 3.34Å; E329-L364 HydrophobicContact CB-CD1 4.23Å; E329-L364 WeakPolarHBondContact OE2-CD1 3.43Å
330L89.9Confident89.7Confident10 Ų1033.2 Ų33.25%0.05217%0.169CC..  trans-78.9144.6-171.8-55.6177000113.3P293 Q294 L324 V325 H328 L332 H362P293-L330 HydrophobicContact CB-CD1 4.22Å; P293-L330 HydrophobicContact CB-CD2 4.26Å; P293-L330 HydrophobicContact CG-CD2 4.16Å; Q294-L330 HydrophobicContact CB-CD2 4.22Å; L324-L330 HydrophobicContact CB-CD1 3.94Å; V325-L330 HydrophobicContact CB-CB 4.48Å; V325-L330 HydrophobicContact CG2-CB 4.19Å; V325-L330 PolarHBondContact O-N 3.34Å; H328-L330 VanDerWaalsContact C-N 3.34Å; H328-L330 HydrophobicContact CB-CD1 4.33Å; H328-L330 HydrophobicContact CB-CD2 3.56Å; H328-L330 HydrophobicContact CB-CG 3.75Å; H328-L330 PolarHBondContact O-N 2.91Å; L330-L332 PolarHBondContact O-N 3.5Å; L330-H362 PolarHBondContact O-NE2 3.03Å; L330-H362 VanDerWaalsContact O-NE2 3.1Å
331F89.3Confident89.7Confident94 Ų9441.9 Ų41.941%0.41220%0.202SC..  trans-89.199.5177.1-61.6-76.5000111.1Q294 F333 L364Q294-F331 PolarHBondContact NE2-O 3.34Å; F331-F333 HydrophobicContact CB-CE1 4.43Å; F331-F333 HydrophobicContact CB-CZ 4.11Å; F331-F333 HydrophobicContact CD1-CE1 4.05Å; F331-F333 AromaticContact CD1-CZ 3.79Å; F331-F333 HydrophobicContact CD1-CZ 3.79Å; F331-F333 HydrophobicContact CG-CZ 4.37Å; F331-L364 HydrophobicContact CE1-CB 4.09Å; F331-L364 WeakPolarHBondContact CE1-O 3.33Å; F331-L364 HydrophobicContact CZ-CB 4.15Å; F331-L364 HydrophobicContact CZ-CD1 4.49Å
332L88.9Confident89.6Confident8 Ų844 Ų444%0.04221%0.211CC..  trans-132.565.5-178.3-134.4116.5000113.1S297 E298 L301 I321 V325 L330 N334 F335S297-L332 WeakPolarHBondContact OG-CD1 3.41Å; E298-L332 HydrophobicContact CG-CD1 3.76Å; L301-L332 HydrophobicContact CB-CD2 3.92Å; L301-L332 HydrophobicContact CD2-CD2 3.44Å; L301-L332 VanDerWaalsContact CD2-CD2 3.44Å; L301-L332 HydrophobicContact CD2-CG 4.49Å; L301-L332 HydrophobicContact CG-CD2 4.2Å; I321-L332 HydrophobicContact CG2-CD2 4.22Å; V325-L332 HydrophobicContact CG2-CB 4.15Å; L330-L332 PolarHBondContact O-N 3.5Å; L332-N334 VanDerWaalsContact C-N 3.3Å; L332-N334 PolarHBondContact O-N 3.26Å; L332-F335 HydrophobicContact CD2-CB 3.9Å; L332-F335 WeakPolarHBondContact O-CB 3.44Å; L332-F335 PolarHBondContact O-N 3.43Å
333F89.9Confident89.6Confident89 Ų8944 Ų4439%0.3921%0.211SC..THydrogen-bonded Turntrans-61.6-31.6-169.9-52-45000114.7F331 F335 Y336 P337 P366F331-F333 HydrophobicContact CB-CE1 4.43Å; F331-F333 HydrophobicContact CB-CZ 4.11Å; F331-F333 HydrophobicContact CD1-CE1 4.05Å; F331-F333 AromaticContact CD1-CZ 3.79Å; F331-F333 HydrophobicContact CD1-CZ 3.79Å; F331-F333 HydrophobicContact CG-CZ 4.37Å; F333-F335 PolarHBondContact O-N 3.28Å; F333-Y336 WeakPolarHBondContact O-CD2 3.29Å; F333-Y336 PolarHBondContact O-N 3.28Å; F333-P337 WeakPolarHBondContact O-CD 3.5Å; F333-P366 HydrophobicContact CE1-CG 4.14Å; F333-P366 HydrophobicContact CZ-CG 4.28Å
334N91.4Very high89.7Confident116 Ų11647.7 Ų47.762%0.6223%0.23SC*.THydrogen-bonded Turntrans-66.8-17.1178.2-67-23.3000113.2L301 L332 F338L301-N334 HydrophobicContact CD2-CB 3.85Å; L332-N334 VanDerWaalsContact C-N 3.3Å; L332-N334 PolarHBondContact O-N 3.26Å; N334-F338 WeakPolarHBondContact O-CB 3.27Å; N334-F338 PolarHBondContact O-N 2.71Å
335F92.4Very high89.7Confident1 Ų149.8 Ų49.80%0.00424%0.244CC..Hα-helixtrans-67.8-38.8178.5-171.5-126.1000112.9L301 I321 L332 F333 F338 I339 A360L301-F335 HydrophobicContact CD1-CD2 4.02Å; L301-F335 HydrophobicContact CD2-CB 4.49Å; I321-F335 HydrophobicContact CB-CE2 4Å; I321-F335 HydrophobicContact CB-CZ 4.06Å; I321-F335 HydrophobicContact CD1-CE2 4.33Å; I321-F335 HydrophobicContact CG2-CD1 4.36Å; I321-F335 HydrophobicContact CG2-CD2 3.86Å; I321-F335 HydrophobicContact CG2-CE1 4.17Å; I321-F335 HydrophobicContact CG2-CE2 3.65Å; I321-F335 HydrophobicContact CG2-CG 4.19Å; I321-F335 HydrophobicContact CG2-CZ 3.79Å; L332-F335 HydrophobicContact CD2-CB 3.9Å; L332-F335 WeakPolarHBondContact O-CB 3.44Å; L332-F335 PolarHBondContact O-N 3.43Å; F333-F335 PolarHBondContact O-N 3.28Å; F335-F338 WeakPolarHBondContact O-CB 3.49Å; F335-F338 PolarHBondContact O-N 3.37Å; F335-I339 HydrophobicContact CD1-CD1 3.68Å; F335-I339 HydrophobicContact CD2-CD1 4.3Å; F335-I339 HydrophobicContact CD2-CG1 4.41Å; F335-I339 HydrophobicContact CE1-CD1 3.18Å; F335-I339 HydrophobicContact CE1-CG1 4.24Å; F335-I339 HydrophobicContact CE2-CD1 3.88Å; F335-I339 HydrophobicContact CE2-CG1 4.14Å; F335-I339 HydrophobicContact CG-CD1 4.23Å; F335-I339 HydrophobicContact CZ-CD1 3.32Å; F335-I339 HydrophobicContact CZ-CG1 4.07Å; F335-I339 PolarHBondContact O-N 2.98Å; F335-A360 HydrophobicContact CD1-CB 3.93Å; F335-A360 HydrophobicContact CE1-CB 3.65Å
336Y91.5Very high89.6Confident3 Ų358.5 Ų58.51%0.01228%0.284CS..Hα-helixtrans-67.9-48-175.2-50.4-83.5000112.4F333 F338 I339 Q340 A360 V365 V369 I370 M373F333-Y336 WeakPolarHBondContact O-CD2 3.29Å; F333-Y336 PolarHBondContact O-N 3.28Å; Y336-F338 PolarHBondContact O-N 3.43Å; Y336-I339 PolarHBondContact O-N 2.76Å; Y336-Q340 WeakPolarHBondContact O-CB 3.43Å; Y336-Q340 PolarHBondContact O-N 2.83Å; Y336-A360 HydrophobicContact CE1-CB 4.26Å; Y336-A360 PolarHBondContact OH-O 3.13Å; Y336-V365 HydrophobicContact CE2-CG1 3.95Å; Y336-V365 VanDerWaalsContact OH-CG2 3.29Å; Y336-V365 WeakPolarHBondContact OH-CG2 3.42Å; Y336-V369 HydrophobicContact CD2-CG1 3.41Å; Y336-V369 VanDerWaalsContact CD2-CG1 3.41Å; Y336-V369 HydrophobicContact CE2-CG1 4.15Å; Y336-V369 HydrophobicContact CG-CG1 3.91Å; Y336-I370 HydrophobicContact CE1-CG1 4.47Å; Y336-M373 HydrophobicContact CD1-CE 4.16Å; Y336-M373 HydrophobicContact CD1-SD 4.01Å
337P92Very high89.7Confident60 Ų6059.8 Ų59.839%0.3928%0.282SS..Hα-helixtrans-60.7-31.8172.5-23.834.7000113F333F333-P337 WeakPolarHBondContact O-CD 3.5Å
338F91.8Very high89.7Confident18 Ų1868.4 Ų68.48%0.07931%0.312CS..Hα-helixtrans-67.4-46.9176.2-177.6-98.3000111.8L304 E305 M318 N334 F335 Y336 Q340 F342L304-F338 HydrophobicContact CD1-CE1 4.38Å; L304-F338 HydrophobicContact CD1-CZ 4.39Å; L304-F338 HydrophobicContact CD2-CD1 4.21Å; L304-F338 HydrophobicContact CD2-CE1 3.51Å; L304-F338 HydrophobicContact CD2-CZ 4.16Å; L304-F338 HydrophobicContact CG-CE1 3.67Å; L304-F338 HydrophobicContact CG-CZ 3.77Å; E305-F338 HydrophobicContact CG-CD2 4.1Å; E305-F338 HydrophobicContact CG-CE2 4.12Å; M318-F338 HydrophobicContact CE-CD1 4.17Å; M318-F338 HydrophobicContact CE-CE1 3.39Å; M318-F338 HydrophobicContact CE-CZ 4.16Å; N334-F338 WeakPolarHBondContact O-CB 3.27Å; N334-F338 PolarHBondContact O-N 2.71Å; F335-F338 WeakPolarHBondContact O-CB 3.49Å; F335-F338 PolarHBondContact O-N 3.37Å; Y336-F338 PolarHBondContact O-N 3.43Å; F338-Q340 VanDerWaalsContact C-N 3.32Å; F338-Q340 PolarHBondContact O-N 3.45Å; F338-F342 HydrophobicContact CD1-CE2 4.12Å; F338-F342 AromaticContact CE1-CE2 3.71Å; F338-F342 HydrophobicContact CE1-CE2 3.71Å; F338-F342 HydrophobicContact CE2-CE2 4.15Å; F338-F342 AromaticContact CZ-CE2 3.72Å; F338-F342 HydrophobicContact CZ-CE2 3.72Å; F338-F342 HydrophobicContact CZ-CZ 4.16Å; F338-F342 VanDerWaalsContact O-CD2 3.25Å; F338-F342 WeakPolarHBondContact O-CD2 3.42Å; F338-F342 WeakPolarHBondContact O-CE2 3.25Å
339I91.1Very high89.8Confident0 Ų069.8 Ų69.80%032%0.319CS..Hα-helixtrans-62-41.1175-75.5178000111.2F335 Y336 R341 F342 L343 I353 C356 A357F335-I339 HydrophobicContact CD1-CD1 3.68Å; F335-I339 HydrophobicContact CD2-CD1 4.3Å; F335-I339 HydrophobicContact CD2-CG1 4.41Å; F335-I339 HydrophobicContact CE1-CD1 3.18Å; F335-I339 HydrophobicContact CE1-CG1 4.24Å; F335-I339 HydrophobicContact CE2-CD1 3.88Å; F335-I339 HydrophobicContact CE2-CG1 4.14Å; F335-I339 HydrophobicContact CG-CD1 4.23Å; F335-I339 HydrophobicContact CZ-CD1 3.32Å; F335-I339 HydrophobicContact CZ-CG1 4.07Å; F335-I339 PolarHBondContact O-N 2.98Å; Y336-I339 PolarHBondContact O-N 2.76Å; I339-R341 PolarHBondContact O-N 2.92Å; I339-R341 VanDerWaalsContact O-N 3.08Å; I339-F342 WeakPolarHBondContact O-CA 3.41Å; I339-F342 PolarHBondContact O-N 3.48Å; I339-L343 HydrophobicContact CG2-CD1 4.19Å; I339-L343 HydrophobicContact CG2-CD2 4.02Å; I339-L343 HydrophobicContact CG2-CG 4.02Å; I339-L343 PolarHBondContact O-N 2.93Å; I339-I353 HydrophobicContact CG2-CG2 3.96Å; I339-C356 HydrophobicContact CD1-CB 4.28Å; I339-A357 HydrophobicContact CG2-CB 4.21Å
340Q91.3Very high89.9Confident63 Ų6366.2 Ų66.229%0.29430%0.303SS..Hα-helixtrans-52.3-35.4-176.5-168.81805.800112.8Y336 F338 F342 L343 T376Y336-Q340 WeakPolarHBondContact O-CB 3.43Å; Y336-Q340 PolarHBondContact O-N 2.83Å; F338-Q340 VanDerWaalsContact C-N 3.32Å; F338-Q340 PolarHBondContact O-N 3.45Å; Q340-F342 PolarHBondContact O-N 3.08Å; Q340-L343 PolarHBondContact O-N 3.25Å; Q340-T376 HydrophobicContact CG-CG2 3.73Å
341R90.4Very high89.9Confident182 Ų18267 Ų6769%0.68731%0.309SS*.THydrogen-bonded Turntrans-61.3-27.2176.3-63.7175.6-177.1178.51.3113.6I339I339-R341 PolarHBondContact O-N 2.92Å; I339-R341 VanDerWaalsContact O-N 3.08Å
342F90.1Very high89.9Confident43 Ų4365.4 Ų65.419%0.18930%0.301CS..THydrogen-bonded Turntrans-100.1-0.4-177.3-56-73.3000113.4F311 M318 F338 I339 Q340 Q344 I353F311-F342 AromaticContact CE2-CD1 3.93Å; F311-F342 HydrophobicContact CE2-CD1 3.93Å; F311-F342 AromaticContact CE2-CE1 3.93Å; F311-F342 HydrophobicContact CE2-CE1 3.93Å; F311-F342 HydrophobicContact CZ-CD1 4.24Å; M318-F342 HydrophobicContact CE-CD2 3.65Å; M318-F342 HydrophobicContact CE-CE2 3.56Å; M318-F342 HydrophobicContact CE-CG 4.39Å; M318-F342 HydrophobicContact CE-CZ 4.23Å; F338-F342 HydrophobicContact CD1-CE2 4.12Å; F338-F342 AromaticContact CE1-CE2 3.71Å; F338-F342 HydrophobicContact CE1-CE2 3.71Å; F338-F342 HydrophobicContact CE2-CE2 4.15Å; F338-F342 AromaticContact CZ-CE2 3.72Å; F338-F342 HydrophobicContact CZ-CE2 3.72Å; F338-F342 HydrophobicContact CZ-CZ 4.16Å; F338-F342 VanDerWaalsContact O-CD2 3.25Å; F338-F342 WeakPolarHBondContact O-CD2 3.42Å; F338-F342 WeakPolarHBondContact O-CE2 3.25Å; I339-F342 WeakPolarHBondContact O-CA 3.41Å; I339-F342 PolarHBondContact O-N 3.48Å; Q340-F342 PolarHBondContact O-N 3.08Å; F342-Q344 PolarHBondContact O-N 3.25Å; F342-I353 HydrophobicContact CB-CD1 3.87Å; F342-I353 HydrophobicContact CB-CG2 4.22Å
343L90.7Very high90.1Very high0 Ų065 Ų650%030%0.3CS..  trans-80.561.9179.2-65-179.8000111.9I339 Q340 I353 L354 M373 I377 N380 F381I339-L343 HydrophobicContact CG2-CD1 4.19Å; I339-L343 HydrophobicContact CG2-CD2 4.02Å; I339-L343 HydrophobicContact CG2-CG 4.02Å; I339-L343 PolarHBondContact O-N 2.93Å; Q340-L343 PolarHBondContact O-N 3.25Å; L343-I353 HydrophobicContact CD2-CG2 4.05Å; L343-L354 HydrophobicContact CD2-CD2 3.69Å; L343-L354 HydrophobicContact CD2-CG 4.29Å; L343-M373 HydrophobicContact CD1-CG 3.82Å; L343-I377 HydrophobicContact CD1-CD1 4.28Å; L343-I377 HydrophobicContact CD1-CG1 3.8Å; L343-N380 PolarHBondContact O-ND2 3.24Å; L343-F381 HydrophobicContact CB-CE2 4.37Å
344Q89.8Confident90.1Very high107 Ų10760.9 Ų60.950%0.528%0.281SS..  trans-121.6136.8174.6-64.1-175.9-3.400110.8F342 H346 Q347 V350F342-Q344 PolarHBondContact O-N 3.25Å; Q344-H346 PolarHBondContact O-N 3.38Å; Q344-H346 VanDerWaalsContact O-N 3.11Å; Q344-Q347 VanDerWaalsContact O-CB 3.23Å; Q344-Q347 WeakPolarHBondContact O-CB 3.5Å; Q344-Q347 PolarHBondContact O-N 3.13Å; Q344-V350 WeakPolarHBondContact O-CG2 3.36Å
345P89.4Confident90Very high45 Ų4555.6 Ų55.629%0.29225%0.253SS..THydrogen-bonded Turntrans-58.4-28.4-178-27.634000115.3Q347 N380 F381 V390P345-Q347 VanDerWaalsContact C-N 3.28Å; P345-N380 WeakPolarHBondContact CG-O 3.23Å; P345-F381 HydrophobicContact CB-CE1 4.4Å; P345-F381 HydrophobicContact CG-CD1 4.16Å; P345-F381 HydrophobicContact CG-CD2 4.46Å; P345-F381 HydrophobicContact CG-CE1 4.2Å; P345-F381 HydrophobicContact CG-CG 4.28Å; P345-F381 HydrophobicContact CG-CZ 4.37Å; P345-V390 HydrophobicContact CB-CG1 3.82Å; P345-V390 HydrophobicContact CG-CG1 3.99Å
346H87.9Confident90Very high184 Ų18455.7 Ų55.785%0.85225%0.254SS*.THydrogen-bonded Turntrans-80-10.4179.9-166.668.7000113.2Q344Q344-H346 PolarHBondContact O-N 3.38Å; Q344-H346 VanDerWaalsContact O-N 3.11Å
347Q88.4Confident89.9Confident58 Ų5855.5 Ų55.527%0.27125%0.253SS..SBendtrans-67141.3-178.5-169.761.517.600111.1F311 Q344 P345 V350 I353F311-Q347 HydrophobicContact CE1-CG 4.38Å; F311-Q347 HydrophobicContact CZ-CG 4.17Å; Q344-Q347 VanDerWaalsContact O-CB 3.23Å; Q344-Q347 WeakPolarHBondContact O-CB 3.5Å; Q344-Q347 PolarHBondContact O-N 3.13Å; P345-Q347 VanDerWaalsContact C-N 3.28Å; Q347-V350 HydrophobicContact CB-CB 4.27Å; Q347-V350 HydrophobicContact CB-CG2 4.34Å; Q347-I353 HydrophobicContact CG-CD1 4.04Å
348R85.8Confident89.8Confident207 Ų20752.7 Ų52.778%0.78124%0.235SC*.THydrogen-bonded Turntrans-63.9136175.9-74.1-178.6172.2-179.7-2110.9V350R348-V350 PolarHBondContact O-N 3.46Å
349E86.2Confident89.6Confident86 Ų8652.1 Ų52.140%0.40223%0.232SC..THydrogen-bonded Turntrans51.734.6178.8-54.8-164.814500113.9I315 T351 K352 I353I315-E349 HydrophobicContact CD1-CB 3.98Å; I315-E349 WeakPolarHBondContact CD1-OE2 3.28Å; E349-T351 PolarHBondContact O-N 3.21Å; E349-K352 HydrophobicContact CB-CD 4.18Å; E349-K352 HydrophobicContact CB-CG 4.37Å; E349-K352 WeakPolarHBondContact O-CB 3.43Å; E349-K352 PolarHBondContact O-N 2.7Å; E349-K352 IonicContact OE1-NZ 3.6Å; E349-K352 PolarHBondContact OE1-NZ 3.39Å; E349-K352 WeakPolarHBondContact OE2-CD 3.25Å; E349-K352 WeakPolarHBondContact OE2-CE 3.1Å; E349-K352 IonicContact OE2-NZ 2.8Å; E349-K352 PolarHBondContact OE2-NZ 3.38Å; E349-I353 PolarHBondContact O-N 2.84Å
350V89.4Confident89.5Confident17 Ų1752.1 Ų52.110%0.10323%0.232CC..Hα-helixtrans-58.8-25-177.373.90000113.6Q344 Q347 R348 K352 I353 L354 F381Q344-V350 WeakPolarHBondContact O-CG2 3.36Å; Q347-V350 HydrophobicContact CB-CB 4.27Å; Q347-V350 HydrophobicContact CB-CG2 4.34Å; R348-V350 PolarHBondContact O-N 3.46Å; V350-K352 VanDerWaalsContact C-N 3.29Å; V350-K352 PolarHBondContact O-N 2.87Å; V350-I353 PolarHBondContact O-N 3.27Å; V350-I353 VanDerWaalsContact O-N 3.14Å; V350-L354 WeakPolarHBondContact O-CG 3.45Å; V350-L354 PolarHBondContact O-N 3.01Å; V350-F381 HydrophobicContact CG1-CE1 4.13Å; V350-F381 HydrophobicContact CG1-CZ 4.44Å; V350-F381 HydrophobicContact CG2-CE1 4.14Å; V350-F381 HydrophobicContact CG2-CZ 3.61Å
351T89.9Confident89.4Confident26 Ų2649.2 Ų49.216%0.1622%0.219CC..Hα-helixtrans-62.3-35.3174.152.90000112.4E349 L355 V393 E597E349-T351 PolarHBondContact O-N 3.21Å; T351-L355 PolarHBondContact O-N 3.37Å; T351-V393 HydrophobicContact CG2-CG1 4.02Å; T351-V393 HydrophobicContact CG2-CG2 4.36Å; T351-E597 WeakPolarHBondContact CB-OE1 3.44Å; T351-E597 HydrophobicContact CG2-CG 3.76Å; T351-E597 WeakPolarHBondContact CG2-OE1 3.44Å; T351-E597 PolarHBondContact OG1-OE1 2.86Å
352K89.8Confident89.2Confident60 Ų6041 Ų4126%0.26119%0.188SC..Hα-helixtrans-69.8-37.3172.7-62.6-175.2-173.8167.50111.8I315 E349 V350 L355 C356 L593I315-K352 HydrophobicContact CG2-CB 4.12Å; I315-K352 HydrophobicContact CG2-CD 3.99Å; E349-K352 HydrophobicContact CB-CD 4.18Å; E349-K352 HydrophobicContact CB-CG 4.37Å; E349-K352 WeakPolarHBondContact O-CB 3.43Å; E349-K352 PolarHBondContact O-N 2.7Å; E349-K352 IonicContact OE1-NZ 3.6Å; E349-K352 PolarHBondContact OE1-NZ 3.39Å; E349-K352 WeakPolarHBondContact OE2-CD 3.25Å; E349-K352 WeakPolarHBondContact OE2-CE 3.1Å; E349-K352 IonicContact OE2-NZ 2.8Å; E349-K352 PolarHBondContact OE2-NZ 3.38Å; V350-K352 VanDerWaalsContact C-N 3.29Å; V350-K352 PolarHBondContact O-N 2.87Å; K352-L355 VanDerWaalsContact O-CB 3.3Å; K352-L355 WeakPolarHBondContact O-CB 3.32Å; K352-L355 PolarHBondContact O-N 2.97Å; K352-C356 PolarHBondContact O-N 3.29Å; K352-C356 PolarHBondContact O-SG 3.42Å; K352-L593 HydrophobicContact CB-CD2 4.29Å; K352-L593 HydrophobicContact CG-CD1 4.15Å; K352-L593 HydrophobicContact CG-CD2 3.78Å
353I92.1Very high88.9Confident1 Ų143.1 Ų43.11%0.00520%0.199CC..Hα-helixtrans-67.2-42.4177.8-55.3178000110.4F311 I339 F342 L343 Q347 E349 V350 L355 C356 A357F311-I353 HydrophobicContact CE1-CD1 4.29Å; F311-I353 HydrophobicContact CZ-CD1 3.83Å; I339-I353 HydrophobicContact CG2-CG2 3.96Å; F342-I353 HydrophobicContact CB-CD1 3.87Å; F342-I353 HydrophobicContact CB-CG2 4.22Å; L343-I353 HydrophobicContact CD2-CG2 4.05Å; Q347-I353 HydrophobicContact CG-CD1 4.04Å; E349-I353 PolarHBondContact O-N 2.84Å; V350-I353 PolarHBondContact O-N 3.27Å; V350-I353 VanDerWaalsContact O-N 3.14Å; I353-L355 VanDerWaalsContact C-N 3.27Å; I353-L355 PolarHBondContact O-N 3.06Å; I353-C356 WeakPolarHBondContact O-CB 3.22Å; I353-C356 PolarHBondContact O-N 3.09Å; I353-C356 VanDerWaalsContact O-N 3.15Å; I353-A357 PolarHBondContact O-N 2.85Å
354L91.5Very high88.6Confident1 Ų145.9 Ų45.91%0.00521%0.213CC..Hα-helixtrans-61.9-35.1172.1-72.2169.6000112L343 V350 A357 A358 I377 F381 V393 A397 I596L343-L354 HydrophobicContact CD2-CD2 3.69Å; L343-L354 HydrophobicContact CD2-CG 4.29Å; V350-L354 WeakPolarHBondContact O-CG 3.45Å; V350-L354 PolarHBondContact O-N 3.01Å; L354-A357 PolarHBondContact O-N 3.11Å; L354-A358 WeakPolarHBondContact O-CB 3.41Å; L354-A358 PolarHBondContact O-N 2.93Å; L354-I377 HydrophobicContact CD2-CD1 3.79Å; L354-I377 HydrophobicContact CD2-CG1 3.91Å; L354-I377 HydrophobicContact CD2-CG2 4.22Å; L354-F381 HydrophobicContact CD1-CD1 4.39Å; L354-F381 HydrophobicContact CD1-CE1 3.85Å; L354-F381 HydrophobicContact CD1-CZ 4.08Å; L354-F381 HydrophobicContact CD2-CZ 4.47Å; L354-V393 HydrophobicContact CD1-CG1 3.42Å; L354-V393 VanDerWaalsContact CD1-CG1 3.42Å; L354-A397 HydrophobicContact CB-CB 4.09Å; L354-A397 HydrophobicContact CD1-CB 4.29Å; L354-A397 HydrophobicContact CD2-CB 3.96Å; L354-A397 HydrophobicContact CG-CB 4.35Å; L354-I596 HydrophobicContact CB-CD1 4.19Å; L354-I596 HydrophobicContact CB-CG2 4.4Å
355L89.5Confident88.4Confident6 Ų641 Ų413%0.03119%0.191CC..Hα-helixtrans-62.8-45.6172-171.469.9000111.6T351 K352 I353 A357 A358 Q359 L591 L593 I596T351-L355 PolarHBondContact O-N 3.37Å; K352-L355 VanDerWaalsContact O-CB 3.3Å; K352-L355 WeakPolarHBondContact O-CB 3.32Å; K352-L355 PolarHBondContact O-N 2.97Å; I353-L355 VanDerWaalsContact C-N 3.27Å; I353-L355 PolarHBondContact O-N 3.06Å; L355-A357 VanDerWaalsContact C-N 3.3Å; L355-A357 PolarHBondContact O-N 3.41Å; L355-A358 PolarHBondContact O-N 2.87Å; L355-Q359 HydrophobicContact CD1-CG 4.48Å; L355-Q359 HydrophobicContact CG-CG 4.3Å; L355-Q359 WeakPolarHBondContact O-CB 3.5Å; L355-Q359 WeakPolarHBondContact O-CG 3.26Å; L355-Q359 PolarHBondContact O-N 2.73Å; L355-L591 HydrophobicContact CD1-CB 3.43Å; L355-L591 VanDerWaalsContact CD1-CB 3.43Å; L355-L591 HydrophobicContact CD1-CD1 4.18Å; L355-L591 HydrophobicContact CD1-CG 4.45Å; L355-L591 HydrophobicContact CG-CB 4.45Å; L355-L593 HydrophobicContact CB-CD2 3.98Å; L355-L593 HydrophobicContact CD2-CD2 3.52Å; L355-L593 HydrophobicContact CD2-CG 3.77Å; L355-L593 HydrophobicContact CG-CD2 4.3Å; L355-I596 HydrophobicContact CB-CD1 3.69Å; L355-I596 HydrophobicContact CD1-CD1 3.67Å; L355-I596 HydrophobicContact CD1-CG1 4.33Å; L355-I596 HydrophobicContact CG-CD1 4.32Å; L355-I596 VanDerWaalsContact N-CD1 3.26Å
356C90.4Very high88.2Confident2 Ų240.3 Ų40.31%0.01419%0.186CC..Hα-helixtrans-59.6-43.2177.6-61.10000111E319 S322 I339 K352 I353 Q359 A360E319-C356 VanDerWaalsContact CA-SG 3.57Å; S322-C356 WeakPolarHBondContact CB-O 3.45Å; S322-C356 WeakPolarHBondContact OG-CA 3.4Å; I339-C356 HydrophobicContact CD1-CB 4.28Å; K352-C356 PolarHBondContact O-N 3.29Å; K352-C356 PolarHBondContact O-SG 3.42Å; I353-C356 WeakPolarHBondContact O-CB 3.22Å; I353-C356 PolarHBondContact O-N 3.09Å; I353-C356 VanDerWaalsContact O-N 3.15Å; C356-Q359 PolarHBondContact O-N 3.32Å; C356-A360 VanDerWaalsContact O-CB 3.32Å; C356-A360 WeakPolarHBondContact O-CB 3.32Å; C356-A360 PolarHBondContact O-N 3.01Å
357A90.8Very high88Confident0 Ų033.2 Ų33.20%016%0.156CC..Hα-helixtrans-59.9-47175.600000112.4I339 I353 L354 L355 S361 M373I339-A357 HydrophobicContact CG2-CB 4.21Å; I353-A357 PolarHBondContact O-N 2.85Å; L354-A357 PolarHBondContact O-N 3.11Å; L355-A357 VanDerWaalsContact C-N 3.3Å; L355-A357 PolarHBondContact O-N 3.41Å; A357-S361 PolarHBondContact O-N 3.08Å; A357-S361 PolarHBondContact O-OG 3.32Å; A357-M373 HydrophobicContact CB-CE 4.21Å; A357-M373 HydrophobicContact CB-SD 3.73Å
358A90Very high88Confident0 Ų038 Ų380%018%0.178CC..Hα-helixtrans-68.4-35.2179.600000113L354 L355 E400 V401 R404 L591L354-A358 WeakPolarHBondContact O-CB 3.41Å; L354-A358 PolarHBondContact O-N 2.93Å; L355-A358 PolarHBondContact O-N 2.87Å; A358-E400 HydrophobicContact CB-CB 3.98Å; A358-V401 HydrophobicContact CB-CG2 3.96Å; A358-R404 WeakPolarHBondContact O-CD 3.33Å; A358-L591 HydrophobicContact CB-CD1 3.49Å; A358-L591 VanDerWaalsContact CB-CD1 3.49Å
359Q87.8Confident88.2Confident7 Ų730.1 Ų30.13%0.03315%0.153CC..Hα-helixtrans-71.2-39.5177.3-76.4179.9-13.500112.4S322 G326 L355 C356 S361 L591S322-Q359 PolarHBondContact OG-OE1 2.65Å; G326-Q359 VanDerWaalsContact CA-O 3.3Å; G326-Q359 WeakPolarHBondContact CA-O 3.18Å; L355-Q359 HydrophobicContact CD1-CG 4.48Å; L355-Q359 HydrophobicContact CG-CG 4.3Å; L355-Q359 WeakPolarHBondContact O-CB 3.5Å; L355-Q359 WeakPolarHBondContact O-CG 3.26Å; L355-Q359 PolarHBondContact O-N 2.73Å; C356-Q359 PolarHBondContact O-N 3.32Å; Q359-S361 PolarHBondContact O-N 2.96Å; Q359-L591 HydrophobicContact CG-CB 3.71Å; Q359-L591 HydrophobicContact CG-CD1 3.83Å; Q359-L591 HydrophobicContact CG-CG 4.02Å; Q359-L591 PolarHBondContact NE2-O 3.23Å
360A89.4Confident88.3Confident0 Ų026 Ų260%013%0.134CC..THydrogen-bonded Turntrans-76.4-1.6-179.400000114V325 F335 Y336 C356V325-A360 HydrophobicContact CB-CB 4.25Å; V325-A360 HydrophobicContact CG1-CB 4.02Å; V325-A360 VanDerWaalsContact CG1-O 3.31Å; V325-A360 WeakPolarHBondContact CG1-O 3.49Å; F335-A360 HydrophobicContact CD1-CB 3.93Å; F335-A360 HydrophobicContact CE1-CB 3.65Å; Y336-A360 HydrophobicContact CE1-CB 4.26Å; Y336-A360 PolarHBondContact OH-O 3.13Å; C356-A360 VanDerWaalsContact O-CB 3.32Å; C356-A360 WeakPolarHBondContact O-CB 3.32Å; C356-A360 PolarHBondContact O-N 3.01Å
361S88.5Confident88.4Confident1 Ų128.6 Ų28.61%0.00715%0.145CC..  trans-89.1123.9177.5-58.60000109.1A357 Q359 R404A357-S361 PolarHBondContact O-N 3.08Å; A357-S361 PolarHBondContact O-OG 3.32Å; Q359-S361 PolarHBondContact O-N 2.96Å; S361-R404 VanDerWaalsContact O-CB 3.32Å; S361-R404 WeakPolarHBondContact O-CB 3.35Å; S361-R404 WeakPolarHBondContact O-CD 3.44Å
362H86.6Confident88.5Confident9 Ų930.2 Ų30.24%0.04216%0.156CC..  trans-141162.91766190.1000111.1E329 L330 L364 V365 C405E329-H362 HydrophobicContact CG-CB 4.43Å; E329-H362 PolarHBondContact O-CE1 3.34Å; L330-H362 PolarHBondContact O-NE2 3.03Å; L330-H362 VanDerWaalsContact O-NE2 3.1Å; H362-L364 PolarHBondContact ND1-N 3.37Å; H362-L364 PolarHBondContact O-N 3.28Å; H362-V365 WeakPolarHBondContact CD2-CG2 3.49Å; H362-V365 VanDerWaalsContact CE1-CG2 3.41Å; H362-V365 WeakPolarHBondContact CE1-CG2 3.3Å; H362-V365 WeakPolarHBondContact NE2-CG2 3.34Å; H362-V365 WeakPolarHBondContact O-CG2 3.46Å; H362-V365 PolarHBondContact O-N 2.93Å; H362-C405 PolarHBondContact N-SG 3.34Å; H362-C405 VanDerWaalsContact N-SG 3.45Å; H362-C405 PolarHBondContact O-SG 3.26Å
363Q82.9Confident88.7Confident88 Ų8827.4 Ų27.441%0.41114%0.144SC..THydrogen-bonded Turntrans-57.4-27.9-170.1-174.3179-16.500114
364L84.6Confident88.7Confident59 Ų5927.4 Ų27.431%0.30914%0.144SC..THydrogen-bonded Turntrans-84.8-1.2-179.7-56.2175.6000114.1E329 F331 H362 Y467E329-L364 HydrophobicContact CB-CD1 4.23Å; E329-L364 WeakPolarHBondContact OE2-CD1 3.43Å; F331-L364 HydrophobicContact CE1-CB 4.09Å; F331-L364 WeakPolarHBondContact CE1-O 3.33Å; F331-L364 HydrophobicContact CZ-CB 4.15Å; F331-L364 HydrophobicContact CZ-CD1 4.49Å; H362-L364 PolarHBondContact ND1-N 3.37Å; H362-L364 PolarHBondContact O-N 3.28Å; L364-Y467 WeakPolarHBondContact O-CE2 3.45Å; L364-Y467 PolarHBondContact O-OH 3.14Å
365V84.8Confident88.7Confident4 Ų431.4 Ų31.42%0.02416%0.164CC..SBendtrans-82.2132.3174.7-173.30000109.6Y336 H362 I370 Y467Y336-V365 HydrophobicContact CE2-CG1 3.95Å; Y336-V365 VanDerWaalsContact OH-CG2 3.29Å; Y336-V365 WeakPolarHBondContact OH-CG2 3.42Å; H362-V365 WeakPolarHBondContact CD2-CG2 3.49Å; H362-V365 VanDerWaalsContact CE1-CG2 3.41Å; H362-V365 WeakPolarHBondContact CE1-CG2 3.3Å; H362-V365 WeakPolarHBondContact NE2-CG2 3.34Å; H362-V365 WeakPolarHBondContact O-CG2 3.46Å; H362-V365 PolarHBondContact O-N 2.93Å; V365-I370 HydrophobicContact CB-CD1 3.75Å; V365-I370 HydrophobicContact CB-CG1 4.45Å; V365-I370 HydrophobicContact CG1-CD1 3.71Å; V365-I370 HydrophobicContact CG1-CG1 3.85Å; V365-I370 HydrophobicContact CG2-CD1 4.42Å; V365-Y467 VanDerWaalsContact C-CE2 3.49Å; V365-Y467 WeakPolarHBondContact O-CE2 3.42Å
366P86.2Confident88.9Confident30 Ų3032.4 Ų32.420%0.19517%0.17CC..  trans-56.1132.1175.3-24.432.7000111.6F333 E368 V369 Y467F333-P366 HydrophobicContact CE1-CG 4.14Å; F333-P366 HydrophobicContact CZ-CG 4.28Å; P366-E368 PolarHBondContact O-N 3.48Å; P366-V369 HydrophobicContact CB-CG2 4.37Å; P366-V369 PolarHBondContact O-N 2.7Å; P366-V369 VanDerWaalsContact O-N 3.16Å; P366-Y467 HydrophobicContact CG-CE2 4.47Å
367P84.6Confident89Confident35 Ų3532.3 Ų32.323%0.22717%0.169CC..Hα-helixtrans-61.6-30.6-177.823.2-32.5000112.5V369 I370 E371 L407 A408P367-V369 PolarHBondContact O-N 3.43Å; P367-V369 VanDerWaalsContact O-N 3.16Å; P367-I370 PolarHBondContact O-N 2.88Å; P367-I370 VanDerWaalsContact O-N 3.09Å; P367-E371 WeakPolarHBondContact O-CB 3.36Å; P367-E371 PolarHBondContact O-N 3.14Å; P367-L407 HydrophobicContact CB-CB 4.15Å; P367-L407 HydrophobicContact CG-CB 4.45Å; P367-A408 HydrophobicContact CB-CB 4.3Å
368E87.8Confident89.1Confident158 Ų15832.6 Ų32.674%0.73817%0.172SC*.Hα-helixtrans-58.6-27.1178-60.8-176.9176.800113.8P366 P372P366-E368 PolarHBondContact O-N 3.48Å; E368-P372 WeakPolarHBondContact O-CD 3.44Å; E368-P372 WeakPolarHBondContact O-CG 3.3Å
369V88.8Confident89.2Confident42 Ų4237 Ų3726%0.25520%0.195SC..Hα-helixtrans-83.7-33.2179.1-178.30000111.1Y336 P366 P367Y336-V369 HydrophobicContact CD2-CG1 3.41Å; Y336-V369 VanDerWaalsContact CD2-CG1 3.41Å; Y336-V369 HydrophobicContact CE2-CG1 4.15Å; Y336-V369 HydrophobicContact CG-CG1 3.91Å; P366-V369 HydrophobicContact CB-CG2 4.37Å; P366-V369 PolarHBondContact O-N 2.7Å; P366-V369 VanDerWaalsContact O-N 3.16Å; P367-V369 PolarHBondContact O-N 3.43Å; P367-V369 VanDerWaalsContact O-N 3.16Å
370I89.7Confident89.5Confident0 Ų039.6 Ų39.60%021%0.209CC..Hα-helixtrans-84.6-32.5-177.4-65180000111.3Y336 V365 P367 M373 I374 V401 C405 A408Y336-I370 HydrophobicContact CE1-CG1 4.47Å; V365-I370 HydrophobicContact CB-CD1 3.75Å; V365-I370 HydrophobicContact CB-CG1 4.45Å; V365-I370 HydrophobicContact CG1-CD1 3.71Å; V365-I370 HydrophobicContact CG1-CG1 3.85Å; V365-I370 HydrophobicContact CG2-CD1 4.42Å; P367-I370 PolarHBondContact O-N 2.88Å; P367-I370 VanDerWaalsContact O-N 3.09Å; I370-M373 HydrophobicContact CG2-CE 4.02Å; I370-M373 WeakPolarHBondContact O-CA 3.49Å; I370-M373 VanDerWaalsContact O-CB 3.28Å; I370-M373 WeakPolarHBondContact O-CB 3.2Å; I370-M373 PolarHBondContact O-N 3.41Å; I370-I374 HydrophobicContact CG2-CD1 3.79Å; I370-I374 HydrophobicContact CG2-CG1 4Å; I370-I374 PolarHBondContact O-N 3.31Å; I370-V401 HydrophobicContact CG2-CG1 3.68Å; I370-C405 HydrophobicContact CD1-CB 3.94Å; I370-C405 WeakPolarHBondContact CD1-SG 3.5Å; I370-A408 HydrophobicContact CB-CB 3.78Å; I370-A408 HydrophobicContact CG2-CB 3.5Å; I370-A408 VanDerWaalsContact CG2-CB 3.5Å
371E91.4Very high89.6Confident72 Ų7239.7 Ų39.734%0.33621%0.21SC..Hα-helixtrans-56-49-179178.2-168.916900112.8P367 M373 I374 M375 N410P367-E371 WeakPolarHBondContact O-CB 3.36Å; P367-E371 PolarHBondContact O-N 3.14Å; E371-M373 PolarHBondContact O-N 2.94Å; E371-I374 PolarHBondContact O-N 3.34Å; E371-I374 VanDerWaalsContact O-N 3.17Å; E371-M375 WeakPolarHBondContact O-CB 3.4Å; E371-M375 PolarHBondContact O-N 3.07Å; E371-N410 PolarHBondContact OE1-ND2 3.33Å; E371-N410 PolarHBondContact OE1-OD1 2.94Å
372P92.6Very high89.8Confident59 Ų5940.2 Ų40.238%0.38321%0.213SC..Hα-helixtrans-58.5-35.1174.8-24.433.3000112.9E368 M375 T376E368-P372 WeakPolarHBondContact O-CD 3.44Å; E368-P372 WeakPolarHBondContact O-CG 3.3Å; P372-M375 PolarHBondContact O-N 3.31Å; P372-T376 WeakPolarHBondContact O-CG2 3.29Å; P372-T376 PolarHBondContact O-N 3.22Å; P372-T376 PolarHBondContact O-OG1 2.88Å
373M92Very high89.9Confident1 Ų141.8 Ų41.81%0.00522%0.223CC..Hα-helixtrans-66.7-48.9176.7-174.5-178.463.800110.5Y336 L343 A357 I370 E371 M375 T376 I377 V401Y336-M373 HydrophobicContact CD1-CE 4.16Å; Y336-M373 HydrophobicContact CD1-SD 4.01Å; L343-M373 HydrophobicContact CD1-CG 3.82Å; A357-M373 HydrophobicContact CB-CE 4.21Å; A357-M373 HydrophobicContact CB-SD 3.73Å; I370-M373 HydrophobicContact CG2-CE 4.02Å; I370-M373 WeakPolarHBondContact O-CA 3.49Å; I370-M373 VanDerWaalsContact O-CB 3.28Å; I370-M373 WeakPolarHBondContact O-CB 3.2Å; I370-M373 PolarHBondContact O-N 3.41Å; E371-M373 PolarHBondContact O-N 2.94Å; M373-M375 VanDerWaalsContact C-N 3.28Å; M373-M375 PolarHBondContact O-N 3.1Å; M373-T376 PolarHBondContact O-N 2.87Å; M373-T376 PolarHBondContact O-OG1 3.14Å; M373-I377 WeakPolarHBondContact O-CG1 3.4Å; M373-I377 PolarHBondContact O-N 3.2Å; M373-V401 HydrophobicContact CE-CG1 4.43Å
374I92.6Very high90Very high1 Ų144 Ų441%0.00524%0.238CC..Hα-helixtrans-57.8-44.4175.1-67.8174.9000110.4I370 E371 T376 I377 A378 I398 V401 A408 L413I370-I374 HydrophobicContact CG2-CD1 3.79Å; I370-I374 HydrophobicContact CG2-CG1 4Å; I370-I374 PolarHBondContact O-N 3.31Å; E371-I374 PolarHBondContact O-N 3.34Å; E371-I374 VanDerWaalsContact O-N 3.17Å; I374-T376 VanDerWaalsContact C-N 3.35Å; I374-T376 PolarHBondContact O-N 3.03Å; I374-I377 PolarHBondContact O-N 3.25Å; I374-I377 VanDerWaalsContact O-N 3.13Å; I374-A378 PolarHBondContact O-N 3.01Å; I374-I398 HydrophobicContact CG2-CD1 4.5Å; I374-I398 HydrophobicContact CG2-CG1 4.32Å; I374-I398 HydrophobicContact CG2-CG2 4.12Å; I374-V401 HydrophobicContact CD1-CG1 3.82Å; I374-V401 HydrophobicContact CG1-CG1 3.91Å; I374-A408 HydrophobicContact CD1-CB 3.73Å; I374-L413 HydrophobicContact CG2-CD2 3.68Å
375M92.7Very high90.1Very high85 Ų8552.5 Ų52.542%0.41927%0.266SS..Hα-helixtrans-62.7-40.4179.8-166.859.8176.800111.8E371 P372 M373 I377 A378 N379 L413E371-M375 WeakPolarHBondContact O-CB 3.4Å; E371-M375 PolarHBondContact O-N 3.07Å; P372-M375 PolarHBondContact O-N 3.31Å; M373-M375 VanDerWaalsContact C-N 3.28Å; M373-M375 PolarHBondContact O-N 3.1Å; M375-I377 PolarHBondContact O-N 3.48Å; M375-A378 PolarHBondContact O-N 2.7Å; M375-N379 WeakPolarHBondContact O-CB 3.02Å; M375-N379 VanDerWaalsContact O-CG 3.22Å; M375-N379 PolarHBondContact O-N 3.4Å; M375-N379 PolarHBondContact O-ND2 3.16Å; M375-L413 HydrophobicContact SD-CD2 4.28Å
376T92.5Very high90.2Very high27 Ų2754.4 Ų54.417%0.16628%0.276CS..Hα-helixtrans-65.6-36173.252.20000113.6Q340 P372 M373 I374 N380Q340-T376 HydrophobicContact CG-CG2 3.73Å; P372-T376 WeakPolarHBondContact O-CG2 3.29Å; P372-T376 PolarHBondContact O-N 3.22Å; P372-T376 PolarHBondContact O-OG1 2.88Å; M373-T376 PolarHBondContact O-N 2.87Å; M373-T376 PolarHBondContact O-OG1 3.14Å; I374-T376 VanDerWaalsContact C-N 3.35Å; I374-T376 PolarHBondContact O-N 3.03Å; T376-N380 VanDerWaalsContact O-CB 3.23Å; T376-N380 WeakPolarHBondContact O-CB 3.29Å; T376-N380 PolarHBondContact O-N 2.77Å
377I92.9Very high90.4Very high0 Ų055.9 Ų55.90%029%0.287CS..Hα-helixtrans-64.3-45.5174.2-61.6169.1000109.7L343 L354 M373 I374 M375 F381 I398L343-I377 HydrophobicContact CD1-CD1 4.28Å; L343-I377 HydrophobicContact CD1-CG1 3.8Å; L354-I377 HydrophobicContact CD2-CD1 3.79Å; L354-I377 HydrophobicContact CD2-CG1 3.91Å; L354-I377 HydrophobicContact CD2-CG2 4.22Å; M373-I377 WeakPolarHBondContact O-CG1 3.4Å; M373-I377 PolarHBondContact O-N 3.2Å; I374-I377 PolarHBondContact O-N 3.25Å; I374-I377 VanDerWaalsContact O-N 3.13Å; M375-I377 PolarHBondContact O-N 3.48Å; I377-F381 HydrophobicContact CG2-CB 4.5Å; I377-F381 HydrophobicContact CG2-CD2 4.12Å; I377-F381 HydrophobicContact CG2-CG 4.45Å; I377-F381 VanDerWaalsContact O-CB 3.24Å; I377-F381 WeakPolarHBondContact O-CB 3.48Å; I377-F381 WeakPolarHBondContact O-CD2 3.42Å; I377-F381 PolarHBondContact O-N 3.25Å; I377-I398 HydrophobicContact CB-CD1 4.33Å; I377-I398 HydrophobicContact CB-CG1 4.17Å; I377-I398 HydrophobicContact CG2-CD1 3.98Å; I377-I398 HydrophobicContact CG2-CG1 3.79Å
378A93.1Very high90.5Very high6 Ų654.9 Ų54.95%0.0528%0.283CS..Hα-helixtrans-60-53.2177.500000111.6I374 M375 N380 V382 I398 L413I374-A378 PolarHBondContact O-N 3.01Å; M375-A378 PolarHBondContact O-N 2.7Å; A378-N380 PolarHBondContact O-N 2.92Å; A378-V382 CarbonylContact O-C 3.57Å; A378-V382 WeakPolarHBondContact O-CA 3.36Å; A378-V382 WeakPolarHBondContact O-CB 3.39Å; A378-V382 PolarHBondContact O-N 2.64Å; A378-I398 HydrophobicContact CB-CD1 4.19Å; A378-L413 HydrophobicContact CB-CD1 3.8Å; A378-L413 HydrophobicContact CB-CD2 4.4Å
379N92.9Very high90.5Very high92 Ų9252.4 Ų52.449%0.49227%0.272SS..Hα-helixtrans-65.3-33.7-176.9-70.1-20.4000113.7M375 T383M375-N379 WeakPolarHBondContact O-CB 3.02Å; M375-N379 VanDerWaalsContact O-CG 3.22Å; M375-N379 PolarHBondContact O-N 3.4Å; M375-N379 PolarHBondContact O-ND2 3.16Å; N379-T383 WeakPolarHBondContact O-CG2 3.19Å
380N92.7Very high90.6Very high62 Ų6252.1 Ų52.133%0.33227%0.27SS..Hα-helixtrans-92.3-33.7-177.1-67.8-14.6000113.1L343 P345 T376 A378 N386L343-N380 PolarHBondContact O-ND2 3.24Å; P345-N380 WeakPolarHBondContact CG-O 3.23Å; T376-N380 VanDerWaalsContact O-CB 3.23Å; T376-N380 WeakPolarHBondContact O-CB 3.29Å; T376-N380 PolarHBondContact O-N 2.77Å; A378-N380 PolarHBondContact O-N 2.92Å; N380-N386 PolarHBondContact O-ND2 3.43Å
381F92.8Very high90.7Very high2 Ų252.3 Ų52.31%0.00927%0.271CS..Hα-helixtrans-103-39.3-173.9-67.9-105.4000113.1L343 P345 V350 L354 I377 T383 N386 V390 M391L343-F381 HydrophobicContact CB-CE2 4.37Å; P345-F381 HydrophobicContact CB-CE1 4.4Å; P345-F381 HydrophobicContact CG-CD1 4.16Å; P345-F381 HydrophobicContact CG-CD2 4.46Å; P345-F381 HydrophobicContact CG-CE1 4.2Å; P345-F381 HydrophobicContact CG-CG 4.28Å; P345-F381 HydrophobicContact CG-CZ 4.37Å; V350-F381 HydrophobicContact CG1-CE1 4.13Å; V350-F381 HydrophobicContact CG1-CZ 4.44Å; V350-F381 HydrophobicContact CG2-CE1 4.14Å; V350-F381 HydrophobicContact CG2-CZ 3.61Å; L354-F381 HydrophobicContact CD1-CD1 4.39Å; L354-F381 HydrophobicContact CD1-CE1 3.85Å; L354-F381 HydrophobicContact CD1-CZ 4.08Å; L354-F381 HydrophobicContact CD2-CZ 4.47Å; I377-F381 HydrophobicContact CG2-CB 4.5Å; I377-F381 HydrophobicContact CG2-CD2 4.12Å; I377-F381 HydrophobicContact CG2-CG 4.45Å; I377-F381 VanDerWaalsContact O-CB 3.24Å; I377-F381 WeakPolarHBondContact O-CB 3.48Å; I377-F381 WeakPolarHBondContact O-CD2 3.42Å; I377-F381 PolarHBondContact O-N 3.25Å; F381-T383 VanDerWaalsContact C-N 3.32Å; F381-T383 PolarHBondContact O-N 2.93Å; F381-N386 VanDerWaalsContact C-ND2 3.34Å; F381-N386 WeakPolarHBondContact CA-ND2 3.38Å; F381-N386 PolarHBondContact O-ND2 2.92Å; F381-V390 HydrophobicContact CB-CG1 4.26Å; F381-V390 HydrophobicContact CD1-CG1 3.6Å; F381-V390 HydrophobicContact CE1-CG1 4.36Å; F381-V390 HydrophobicContact CG-CG1 4.29Å; F381-M391 WeakPolarHBondContact O-CG 3.48Å
382V90.9Very high90.6Very high13 Ų1348.9 Ų48.98%0.07926%0.255CS..SBendtrans-9662.4-174.4-164.50000109.7A378 M391 I395 L417 Y420A378-V382 CarbonylContact O-C 3.57Å; A378-V382 WeakPolarHBondContact O-CA 3.36Å; A378-V382 WeakPolarHBondContact O-CB 3.39Å; A378-V382 PolarHBondContact O-N 2.64Å; V382-M391 HydrophobicContact CG1-CE 4.08Å; V382-I395 HydrophobicContact CG1-CD1 4.32Å; V382-I395 HydrophobicContact CG1-CG1 4.25Å; V382-I395 HydrophobicContact CG2-CG1 3.92Å; V382-L417 HydrophobicContact CB-CD2 4.25Å; V382-L417 HydrophobicContact CG1-CD2 3.82Å; V382-L417 HydrophobicContact CG2-CD2 4.18Å; V382-Y420 HydrophobicContact CG1-CD2 4.14Å; V382-Y420 HydrophobicContact CG1-CE2 3.51Å
383T89Confident90.6Very high41 Ų4146.9 Ų46.925%0.25224%0.241SC..SBendtrans-123.8150.5174.567.30000110.2N379 F381 R385 N386N379-T383 WeakPolarHBondContact O-CG2 3.19Å; F381-T383 VanDerWaalsContact C-N 3.32Å; F381-T383 PolarHBondContact O-N 2.93Å; T383-R385 PolarHBondContact O-N 3.22Å; T383-N386 PolarHBondContact O-N 2.82Å; T383-N386 PolarHBondContact OG1-ND2 2.68Å
384D84.6Confident90.6Very high134 Ų13446.8 Ų46.872%0.71724%0.241SC*.THydrogen-bonded Turntrans-64.1-13.9179.5-66.8-22.3000113.6
385R86.7Confident90.6Very high239 Ų23946.8 Ų46.890%0.90224%0.241SC*.THydrogen-bonded Turntrans-76.8-24.6176-63.1-178.3-178.1172.21.4112.4T383T383-R385 PolarHBondContact O-N 3.22Å
386N87.6Confident90.6Very high43 Ų4343 Ų4323%0.2322%0.222CC..SBendtrans-84.6159.6-176.2-71.7-27.3000111.8N380 F381 T383 V390 M391N380-N386 PolarHBondContact O-ND2 3.43Å; F381-N386 VanDerWaalsContact C-ND2 3.34Å; F381-N386 WeakPolarHBondContact CA-ND2 3.38Å; F381-N386 PolarHBondContact O-ND2 2.92Å; T383-N386 PolarHBondContact O-N 2.82Å; T383-N386 PolarHBondContact OG1-ND2 2.68Å; N386-V390 HydrophobicContact CB-CB 4.22Å; N386-V390 HydrophobicContact CB-CG1 4.06Å; N386-M391 HydrophobicContact CB-CG 4.27Å
387S89.8Confident90.6Very high62 Ų6241.7 Ų41.743%0.43421%0.214SC..  trans-67.9151.1173.973.60000110.8E389 V390 M391S387-E389 PolarHBondContact O-N 3.11Å; S387-V390 PolarHBondContact O-N 3.27Å; S387-V390 WeakPolarHBondContact OG-CG2 3.47Å; S387-V390 PolarHBondContact OG-N 3.02Å; S387-M391 PolarHBondContact O-N 3.14Å
388G88.2Confident90.6Very high14 Ų1441.7 Ų41.714%0.14421%0.214CC..Hα-helixtrans-58.4-20.1176.600000113.9T392 V428G388-T392 WeakPolarHBondContact O-CB 3.39Å; G388-T392 PolarHBondContact O-N 2.75Å; G388-T392 VanDerWaalsContact O-N 3.14Å; G388-T392 PolarHBondContact O-OG1 3.12Å; G388-V428 WeakPolarHBondContact O-CG2 3.4Å
389E88.1Confident90.5Very high106 Ų10643.9 Ų43.950%0.49522%0.221SC..Hα-helixtrans-74-46.6173.8-65.2178.7173.500111.8S387 M391 T392 V393 L599S387-E389 PolarHBondContact O-N 3.11Å; E389-M391 VanDerWaalsContact C-N 3.34Å; E389-M391 PolarHBondContact O-N 3.48Å; E389-T392 WeakPolarHBondContact O-CB 3.35Å; E389-T392 PolarHBondContact O-N 3Å; E389-V393 WeakPolarHBondContact O-CG2 3.47Å; E389-V393 PolarHBondContact O-N 2.9Å; E389-L599 HydrophobicContact CB-CD2 4.4Å; E389-L599 HydrophobicContact CG-CD1 4.36Å; E389-L599 HydrophobicContact CG-CD2 4.2Å
390V90.4Very high90.3Very high36 Ų3640.2 Ų40.222%0.21820%0.201CC..Hα-helixtrans-62.1-43.1176.3173.60000110.6P345 F381 N386 S387 T392 V393 G394P345-V390 HydrophobicContact CB-CG1 3.82Å; P345-V390 HydrophobicContact CG-CG1 3.99Å; F381-V390 HydrophobicContact CB-CG1 4.26Å; F381-V390 HydrophobicContact CD1-CG1 3.6Å; F381-V390 HydrophobicContact CE1-CG1 4.36Å; F381-V390 HydrophobicContact CG-CG1 4.29Å; N386-V390 HydrophobicContact CB-CB 4.22Å; N386-V390 HydrophobicContact CB-CG1 4.06Å; S387-V390 PolarHBondContact O-N 3.27Å; S387-V390 WeakPolarHBondContact OG-CG2 3.47Å; S387-V390 PolarHBondContact OG-N 3.02Å; V390-T392 VanDerWaalsContact C-N 3.32Å; V390-T392 PolarHBondContact O-N 3.4Å; V390-V393 PolarHBondContact O-N 3.5Å; V390-G394 PolarHBondContact O-N 3.03Å
391M90.6Very high90.2Very high4 Ų437.2 Ų37.22%0.0219%0.185CC..Hα-helixtrans-61.8-39.8175.1-65.2179.576.200112.2F381 V382 N386 S387 E389 G394 I395 Y420 V428F381-M391 WeakPolarHBondContact O-CG 3.48Å; V382-M391 HydrophobicContact CG1-CE 4.08Å; N386-M391 HydrophobicContact CB-CG 4.27Å; S387-M391 PolarHBondContact O-N 3.14Å; E389-M391 VanDerWaalsContact C-N 3.34Å; E389-M391 PolarHBondContact O-N 3.48Å; M391-G394 PolarHBondContact O-N 2.86Å; M391-I395 VanDerWaalsContact O-CG1 3.32Å; M391-I395 WeakPolarHBondContact O-CG1 3.46Å; M391-I395 PolarHBondContact O-N 3.34Å; M391-Y420 HydrophobicContact CE-CD1 3.91Å; M391-Y420 HydrophobicContact CE-CE1 3.33Å; M391-V428 HydrophobicContact CB-CG2 3.85Å; M391-V428 HydrophobicContact CE-CG1 4.32Å; M391-V428 HydrophobicContact SD-CG2 4.46Å
392T90.7Very high90Very high0 Ų037.1 Ų37.10%019%0.185CC..Hα-helixtrans-63.1-46.4177.1-620000110.9G388 E389 V390 G394 I395 N396 N427 V428 S431 L599G388-T392 WeakPolarHBondContact O-CB 3.39Å; G388-T392 PolarHBondContact O-N 2.75Å; G388-T392 VanDerWaalsContact O-N 3.14Å; G388-T392 PolarHBondContact O-OG1 3.12Å; E389-T392 WeakPolarHBondContact O-CB 3.35Å; E389-T392 PolarHBondContact O-N 3Å; V390-T392 VanDerWaalsContact C-N 3.32Å; V390-T392 PolarHBondContact O-N 3.4Å; T392-G394 VanDerWaalsContact C-N 3.34Å; T392-G394 PolarHBondContact O-N 3.33Å; T392-I395 PolarHBondContact O-N 3.38Å; T392-N396 WeakPolarHBondContact O-CB 3.36Å; T392-N396 PolarHBondContact O-N 3.46Å; T392-N396 PolarHBondContact O-ND2 2.99Å; T392-N427 HydrophobicContact CG2-CB 4.07Å; T392-N427 WeakPolarHBondContact OG1-CB 3.21Å; T392-V428 PolarHBondContact OG1-N 3.07Å; T392-V428 VanDerWaalsContact OG1-N 3.13Å; T392-S431 WeakPolarHBondContact CG2-OG 3.29Å; T392-L599 HydrophobicContact CG2-CD2 4.13Å
393V91.5Very high89.8Confident16 Ų1638 Ų3810%0.09720%0.196CC..Hα-helixtrans-59.5-44.4176.2164.40000111T351 L354 E389 V390 N396 A397 I596T351-V393 HydrophobicContact CG2-CG1 4.02Å; T351-V393 HydrophobicContact CG2-CG2 4.36Å; L354-V393 HydrophobicContact CD1-CG1 3.42Å; L354-V393 VanDerWaalsContact CD1-CG1 3.42Å; E389-V393 WeakPolarHBondContact O-CG2 3.47Å; E389-V393 PolarHBondContact O-N 2.9Å; V390-V393 PolarHBondContact O-N 3.5Å; V393-N396 PolarHBondContact O-N 3.3Å; V393-A397 WeakPolarHBondContact O-CB 3.5Å; V393-A397 PolarHBondContact O-N 3.23Å; V393-I596 HydrophobicContact CG1-CG2 3.81Å
394G93Very high89.6Confident0 Ų039.3 Ų39.30%020%0.196CC..Hα-helixtrans-60.6-50.3176.300000113V390 M391 T392 N396 A397 I398V390-G394 PolarHBondContact O-N 3.03Å; M391-G394 PolarHBondContact O-N 2.86Å; T392-G394 VanDerWaalsContact C-N 3.34Å; T392-G394 PolarHBondContact O-N 3.33Å; G394-N396 PolarHBondContact O-N 3.04Å; G394-A397 PolarHBondContact O-N 3.24Å; G394-I398 WeakPolarHBondContact O-CG1 3.33Å; G394-I398 PolarHBondContact O-N 3.49Å
395I92.4Very high89.6Confident0 Ų033.3 Ų33.30%017%0.165CC..Hα-helixtrans-65.2-39.1179.4-63.4168.5000111.4V382 M391 T392 R399 V428V382-I395 HydrophobicContact CG1-CD1 4.32Å; V382-I395 HydrophobicContact CG1-CG1 4.25Å; V382-I395 HydrophobicContact CG2-CG1 3.92Å; M391-I395 VanDerWaalsContact O-CG1 3.32Å; M391-I395 WeakPolarHBondContact O-CG1 3.46Å; M391-I395 PolarHBondContact O-N 3.34Å; T392-I395 PolarHBondContact O-N 3.38Å; I395-R399 WeakPolarHBondContact O-CB 3.49Å; I395-R399 PolarHBondContact O-N 3.4Å; I395-V428 HydrophobicContact CD1-CG1 3.84Å
396N92.5Very high89.5Confident6 Ų623.1 Ų23.13%0.03213%0.129CC..Hα-helixtrans-64-43.3175.3-72.2-15.4000111.4T392 V393 G394 R399 E400 S431 I596 K598T392-N396 WeakPolarHBondContact O-CB 3.36Å; T392-N396 PolarHBondContact O-N 3.46Å; T392-N396 PolarHBondContact O-ND2 2.99Å; V393-N396 PolarHBondContact O-N 3.3Å; G394-N396 PolarHBondContact O-N 3.04Å; N396-R399 WeakPolarHBondContact O-CB 3.25Å; N396-R399 PolarHBondContact O-N 2.91Å; N396-E400 WeakPolarHBondContact O-CG 3.38Å; N396-E400 PolarHBondContact O-N 3.5Å; N396-S431 VanDerWaalsContact OD1-CB 3.23Å; N396-S431 WeakPolarHBondContact OD1-CB 3.48Å; N396-S431 PolarHBondContact OD1-OG 2.84Å; N396-I596 PolarHBondContact ND2-O 3.29Å; N396-K598 PolarHBondContact ND2-O 2.65Å
397A92Very high89.3Confident0 Ų024.3 Ų24.30%014%0.135CC..Hα-helixtrans-62-46.2177.100000111.6L354 V393 G394 R399 E400 V401L354-A397 HydrophobicContact CB-CB 4.09Å; L354-A397 HydrophobicContact CD1-CB 4.29Å; L354-A397 HydrophobicContact CD2-CB 3.96Å; L354-A397 HydrophobicContact CG-CB 4.35Å; V393-A397 WeakPolarHBondContact O-CB 3.5Å; V393-A397 PolarHBondContact O-N 3.23Å; G394-A397 PolarHBondContact O-N 3.24Å; A397-R399 VanDerWaalsContact C-N 3.3Å; A397-R399 PolarHBondContact O-N 2.94Å; A397-E400 PolarHBondContact O-N 3.37Å; A397-E400 VanDerWaalsContact O-N 3.15Å; A397-V401 WeakPolarHBondContact O-CG2 3.5Å; A397-V401 PolarHBondContact O-N 3.36Å
398I92.9Very high89.2Confident0 Ų021.4 Ų21.40%012%0.115CC..Hα-helixtrans-59.4-42175.1-67170.6000110.8I374 I377 A378 G394 E400 V401 A402 I409 L417I374-I398 HydrophobicContact CG2-CD1 4.5Å; I374-I398 HydrophobicContact CG2-CG1 4.32Å; I374-I398 HydrophobicContact CG2-CG2 4.12Å; I377-I398 HydrophobicContact CB-CD1 4.33Å; I377-I398 HydrophobicContact CB-CG1 4.17Å; I377-I398 HydrophobicContact CG2-CD1 3.98Å; I377-I398 HydrophobicContact CG2-CG1 3.79Å; A378-I398 HydrophobicContact CB-CD1 4.19Å; G394-I398 WeakPolarHBondContact O-CG1 3.33Å; G394-I398 PolarHBondContact O-N 3.49Å; I398-E400 VanDerWaalsContact C-N 3.34Å; I398-E400 PolarHBondContact O-N 2.94Å; I398-V401 PolarHBondContact O-N 3.17Å; I398-A402 WeakPolarHBondContact O-CB 3.27Å; I398-A402 PolarHBondContact O-N 2.85Å; I398-I409 HydrophobicContact CG2-CD1 4.04Å; I398-L417 HydrophobicContact CD1-CD1 3.89Å; I398-L417 HydrophobicContact CG2-CD1 3.99Å
399R91.1Very high89.1Confident52 Ų5221.1 Ų21.120%0.19611%0.11CC..Hα-helixtrans-60.1-42.3175.6178.7-171.9167.2-152.6-7.7112.2I395 N396 A397 G403 L435 L438 E584I395-R399 WeakPolarHBondContact O-CB 3.49Å; I395-R399 PolarHBondContact O-N 3.4Å; N396-R399 WeakPolarHBondContact O-CB 3.25Å; N396-R399 PolarHBondContact O-N 2.91Å; A397-R399 VanDerWaalsContact C-N 3.3Å; A397-R399 PolarHBondContact O-N 2.94Å; R399-G403 PolarHBondContact O-N 3.16Å; R399-L435 HydrophobicContact CB-CB 4.49Å; R399-L435 HydrophobicContact CB-CD1 3.9Å; R399-L435 HydrophobicContact CG-CD1 4.26Å; R399-L438 HydrophobicContact CG-CB 4.5Å; R399-L438 HydrophobicContact CG-CD2 3.87Å; R399-L438 VanDerWaalsContact O-CD2 3.28Å; R399-L438 WeakPolarHBondContact O-CD2 3.3Å; R399-E584 IonicContact CZ-OE1 3.31Å; R399-E584 IonicContact NH2-OE1 3.63Å; R399-E584 PolarHBondContact NH2-OE1 3.13Å
400E88.9Confident89.1Confident14 Ų1419.5 Ų19.57%0.06511%0.105CC..Hα-helixtrans-71.4-36.1179.8-69-57.4146.100112.8A358 N396 A397 I398 R404 L591 H595A358-E400 HydrophobicContact CB-CB 3.98Å; N396-E400 WeakPolarHBondContact O-CG 3.38Å; N396-E400 PolarHBondContact O-N 3.5Å; A397-E400 PolarHBondContact O-N 3.37Å; A397-E400 VanDerWaalsContact O-N 3.15Å; I398-E400 VanDerWaalsContact C-N 3.34Å; I398-E400 PolarHBondContact O-N 2.94Å; E400-R404 PolarHBondContact O-NH1 3.49Å; E400-R404 VanDerWaalsContact O-NH1 3.08Å; E400-R404 IonicContact OE2-NH1 2.9Å; E400-L591 HydrophobicContact CB-CD1 4.4Å; E400-L591 WeakPolarHBondContact OE2-CD2 3.2Å; E400-H595 HydrophobicContact CG-CB 4.49Å
401V90.1Very high89Confident0 Ų022.3 Ų22.30%012%0.116CC..Hα-helixtrans-64.1-51.8171.7174.40000109.9A358 I370 M373 I374 A397 I398 G403 R404 C405A358-V401 HydrophobicContact CB-CG2 3.96Å; I370-V401 HydrophobicContact CG2-CG1 3.68Å; M373-V401 HydrophobicContact CE-CG1 4.43Å; I374-V401 HydrophobicContact CD1-CG1 3.82Å; I374-V401 HydrophobicContact CG1-CG1 3.91Å; A397-V401 WeakPolarHBondContact O-CG2 3.5Å; A397-V401 PolarHBondContact O-N 3.36Å; I398-V401 PolarHBondContact O-N 3.17Å; V401-G403 PolarHBondContact O-N 3.29Å; V401-R404 PolarHBondContact O-N 3.43Å; V401-C405 PolarHBondContact O-N 3.18Å
402A88.8Confident88.9Confident0 Ų028.2 Ų28.20%015%0.148CC..Hα-helixtrans-64.6-24.5179.900000113.2I398 R404 C405 P406 L438 F439I398-A402 WeakPolarHBondContact O-CB 3.27Å; I398-A402 PolarHBondContact O-N 2.85Å; A402-R404 PolarHBondContact O-N 2.86Å; A402-C405 CarbonylContact O-C 3.44Å; A402-P406 VanDerWaalsContact O-CA 3.28Å; A402-P406 WeakPolarHBondContact O-CA 3.39Å; A402-P406 WeakPolarHBondContact O-CG 3.3Å; A402-L438 HydrophobicContact CB-CD2 4.37Å; A402-F439 HydrophobicContact CB-CE2 3.84Å; A402-F439 HydrophobicContact CB-CZ 3.93Å
403G86.4Confident88.9Confident30 Ų3029.3 Ų29.331%0.30915%0.153SC..Hα-helixtrans-67.6-23.6172.900000113.6R399 V401R399-G403 PolarHBondContact O-N 3.16Å; V401-G403 PolarHBondContact O-N 3.29Å
404R84.9Confident88.8Confident70 Ų7028.6 Ų28.626%0.26415%0.149SC..Hα-helixtrans-101.5-38.6177-65.8179.9177.354.615112.5A358 S361 E400 V401 A402 P406A358-R404 WeakPolarHBondContact O-CD 3.33Å; S361-R404 VanDerWaalsContact O-CB 3.32Å; S361-R404 WeakPolarHBondContact O-CB 3.35Å; S361-R404 WeakPolarHBondContact O-CD 3.44Å; E400-R404 PolarHBondContact O-NH1 3.49Å; E400-R404 VanDerWaalsContact O-NH1 3.08Å; E400-R404 IonicContact OE2-NH1 2.9Å; V401-R404 PolarHBondContact O-N 3.43Å; A402-R404 PolarHBondContact O-N 2.86Å; R404-P406 WeakPolarHBondContact O-CD 3.23Å
405C85.4Confident88.7Confident8 Ų830 Ų305%0.05416%0.156CC..  trans-123.280.4178.4-61.80000109.8H362 I370 V401 A402 L407 A408H362-C405 PolarHBondContact N-SG 3.34Å; H362-C405 VanDerWaalsContact N-SG 3.45Å; H362-C405 PolarHBondContact O-SG 3.26Å; I370-C405 HydrophobicContact CD1-CB 3.94Å; I370-C405 WeakPolarHBondContact CD1-SG 3.5Å; V401-C405 PolarHBondContact O-N 3.18Å; A402-C405 CarbonylContact O-C 3.44Å; C405-L407 PolarHBondContact O-N 3.27Å; C405-A408 HydrophobicContact CB-CB 4.2Å; C405-A408 PolarHBondContact O-N 2.91Å
406P83.9Confident88.7Confident24 Ų2433.7 Ų33.716%0.15618%0.175CC..G310 helixtrans-65.5-27.6-177-21.634.1000113.4A402 R404 A408 L442 I464A402-P406 VanDerWaalsContact O-CA 3.28Å; A402-P406 WeakPolarHBondContact O-CA 3.39Å; A402-P406 WeakPolarHBondContact O-CG 3.3Å; R404-P406 WeakPolarHBondContact O-CD 3.23Å; P406-A408 VanDerWaalsContact C-N 3.28Å; P406-A408 PolarHBondContact O-N 3Å; P406-L442 HydrophobicContact CB-CD1 4.07Å; P406-L442 HydrophobicContact CG-CD1 3.88Å; P406-I464 HydrophobicContact CB-CD1 3.79Å; P406-I464 HydrophobicContact CB-CG1 3.88Å; P406-I464 HydrophobicContact CB-CG2 4.19Å
407L84.8Confident88.6Confident68 Ų6833.4 Ų33.436%0.35617%0.174SC..G310 helixtrans-72.3-17.4-178.8-68.9170.3000113.8P367 C405 I409 I464 K465P367-L407 HydrophobicContact CB-CB 4.15Å; P367-L407 HydrophobicContact CG-CB 4.45Å; C405-L407 PolarHBondContact O-N 3.27Å; L407-I409 VanDerWaalsContact C-N 3.28Å; L407-I409 PolarHBondContact O-N 3.12Å; L407-I464 HydrophobicContact CD1-CG2 4.48Å; L407-I464 HydrophobicContact CD2-CG2 3.47Å; L407-I464 VanDerWaalsContact CD2-CG2 3.47Å; L407-I464 HydrophobicContact CG-CG2 3.66Å; L407-K465 WeakPolarHBondContact CD1-O 3.38Å
408A85.9Confident88.5Confident1 Ų133.6 Ų33.61%0.00818%0.175CC..G310 helixtrans-80.4-5.5-172.800000114.2P367 I370 I374 C405 P406P367-A408 HydrophobicContact CB-CB 4.3Å; I370-A408 HydrophobicContact CB-CB 3.78Å; I370-A408 HydrophobicContact CG2-CB 3.5Å; I370-A408 VanDerWaalsContact CG2-CB 3.5Å; I374-A408 HydrophobicContact CD1-CB 3.73Å; C405-A408 HydrophobicContact CB-CB 4.2Å; C405-A408 PolarHBondContact O-N 2.91Å; P406-A408 VanDerWaalsContact C-N 3.28Å; P406-A408 PolarHBondContact O-N 3Å
409I87Confident88.4Confident9 Ų939.4 Ų39.45%0.04620%0.202CC..SBendtrans-106126.3178.8-165.8169000111.1I398 L407 L413 L414 L417 F439I398-I409 HydrophobicContact CG2-CD1 4.04Å; L407-I409 VanDerWaalsContact C-N 3.28Å; L407-I409 PolarHBondContact O-N 3.12Å; I409-L413 HydrophobicContact CG1-CB 4.38Å; I409-L413 HydrophobicContact CG1-CD2 4.24Å; I409-L413 HydrophobicContact CG1-CG 4.36Å; I409-L414 HydrophobicContact CD1-CB 4.06Å; I409-L414 HydrophobicContact CD1-CD1 4.07Å; I409-L414 HydrophobicContact CG1-CB 4.26Å; I409-L417 HydrophobicContact CD1-CD1 4.27Å; I409-F439 HydrophobicContact CG2-CE1 3.85Å; I409-F439 HydrophobicContact CG2-CE2 4.14Å; I409-F439 HydrophobicContact CG2-CZ 3.32Å
410N88.8Confident88.4Confident72 Ų7238.6 Ų38.639%0.38520%0.199SC..  trans-70.8150.8175.3-63.6-16000111.4E371 D412 L413 L414E371-N410 PolarHBondContact OE1-ND2 3.33Å; E371-N410 PolarHBondContact OE1-OD1 2.94Å; N410-D412 VanDerWaalsContact C-N 3.3Å; N410-D412 PolarHBondContact O-N 2.93Å; N410-L413 HydrophobicContact CB-CB 4.49Å; N410-L413 PolarHBondContact O-N 3.44Å; N410-L414 PolarHBondContact O-N 3.43Å
411E86.7Confident88.4Confident94 Ų9440.4 Ų40.444%0.43921%0.207SC..Hα-helixtrans-56.2-45.8177.5-177.3174176.400111.5L413 L414 Q415 L446E411-L413 PolarHBondContact O-N 3.42Å; E411-L414 PolarHBondContact O-N 3.04Å; E411-Q415 HydrophobicContact CG-CG 4.38Å; E411-Q415 VanDerWaalsContact CG-NE2 3.29Å; E411-Q415 WeakPolarHBondContact O-CB 3.39Å; E411-Q415 VanDerWaalsContact O-CG 3.27Å; E411-Q415 WeakPolarHBondContact O-CG 3.46Å; E411-Q415 PolarHBondContact O-N 3.02Å; E411-Q415 PolarHBondContact OE1-NE2 3.3Å; E411-L446 HydrophobicContact CB-CD2 4.03Å; E411-L446 HydrophobicContact CG-CD2 4.36Å
412D89.4Confident88.4Confident129 Ų12945.8 Ų45.869%0.6924%0.24SC*.Hα-helixtrans-60.5-45.6-179.4-64.9-23.6000112.1N410 Q415 D416N410-D412 VanDerWaalsContact C-N 3.3Å; N410-D412 PolarHBondContact O-N 2.93Å; D412-Q415 PolarHBondContact O-N 3.1Å; D412-D416 WeakPolarHBondContact O-CB 3.41Å; D412-D416 PolarHBondContact O-N 2.76Å
413L90.8Very high88.5Confident23 Ų2348.1 Ų48.112%0.1225%0.251CS..Hα-helixtrans-66.5-41.6179.2-178.460.7000111.2I374 M375 A378 I409 N410 E411 Q415 D416 L417I374-L413 HydrophobicContact CG2-CD2 3.68Å; M375-L413 HydrophobicContact SD-CD2 4.28Å; A378-L413 HydrophobicContact CB-CD1 3.8Å; A378-L413 HydrophobicContact CB-CD2 4.4Å; I409-L413 HydrophobicContact CG1-CB 4.38Å; I409-L413 HydrophobicContact CG1-CD2 4.24Å; I409-L413 HydrophobicContact CG1-CG 4.36Å; N410-L413 HydrophobicContact CB-CB 4.49Å; N410-L413 PolarHBondContact O-N 3.44Å; E411-L413 PolarHBondContact O-N 3.42Å; L413-Q415 VanDerWaalsContact C-N 3.31Å; L413-Q415 PolarHBondContact O-N 3.34Å; L413-D416 PolarHBondContact O-N 3.18Å; L413-L417 HydrophobicContact CD1-CD1 4.36Å; L413-L417 HydrophobicContact CD1-CG 4.26Å; L413-L417 HydrophobicContact CG-CD1 4.2Å; L413-L417 HydrophobicContact CG-CG 4.49Å; L413-L417 WeakPolarHBondContact O-CB 3.25Å; L413-L417 VanDerWaalsContact O-CG 3.27Å; L413-L417 WeakPolarHBondContact O-CG 3.27Å; L413-L417 PolarHBondContact O-N 2.99Å
414L90.2Very high88.5Confident1 Ų156.3 Ų56.31%0.00528%0.278CS..Hα-helixtrans-62-42.1176.2179.967.5000111.3I409 N410 E411 A418 L435 F439 L446 L447I409-L414 HydrophobicContact CD1-CB 4.06Å; I409-L414 HydrophobicContact CD1-CD1 4.07Å; I409-L414 HydrophobicContact CG1-CB 4.26Å; N410-L414 PolarHBondContact O-N 3.43Å; E411-L414 PolarHBondContact O-N 3.04Å; L414-A418 VanDerWaalsContact O-CB 3.32Å; L414-A418 WeakPolarHBondContact O-CB 3.2Å; L414-A418 PolarHBondContact O-N 3.47Å; L414-L435 HydrophobicContact CD1-CD1 4.44Å; L414-L435 HydrophobicContact CD1-CD2 3.96Å; L414-L435 HydrophobicContact CD1-CG 3.98Å; L414-F439 HydrophobicContact CD1-CD2 3.5Å; L414-F439 HydrophobicContact CD1-CE2 3.74Å; L414-F439 HydrophobicContact CD1-CG 3.96Å; L414-F439 HydrophobicContact CD1-CZ 4.37Å; L414-F439 HydrophobicContact CD2-CB 4.25Å; L414-F439 HydrophobicContact CD2-CD1 3.71Å; L414-F439 HydrophobicContact CD2-CD2 4.16Å; L414-F439 HydrophobicContact CD2-CE1 4.14Å; L414-F439 HydrophobicContact CD2-CG 3.74Å; L414-L446 HydrophobicContact CD2-CB 3.71Å; L414-L447 HydrophobicContact CD2-CD2 3.92Å; L414-L447 HydrophobicContact CD2-CG 4.42Å; L414-L447 HydrophobicContact CG-CD2 4.14Å
415Q89.9Confident88.6Confident30 Ų3056 Ų5614%0.1428%0.282CS..Hα-helixtrans-65.6-41.6178.7-73.41781100111.6E411 D412 L413 A418 Q419 H448E411-Q415 HydrophobicContact CG-CG 4.38Å; E411-Q415 VanDerWaalsContact CG-NE2 3.29Å; E411-Q415 WeakPolarHBondContact O-CB 3.39Å; E411-Q415 VanDerWaalsContact O-CG 3.27Å; E411-Q415 WeakPolarHBondContact O-CG 3.46Å; E411-Q415 PolarHBondContact O-N 3.02Å; E411-Q415 PolarHBondContact OE1-NE2 3.3Å; D412-Q415 PolarHBondContact O-N 3.1Å; L413-Q415 VanDerWaalsContact C-N 3.31Å; L413-Q415 PolarHBondContact O-N 3.34Å; Q415-A418 WeakPolarHBondContact O-CB 3.46Å; Q415-A418 PolarHBondContact O-N 3.28Å; Q415-Q419 VanDerWaalsContact O-CG 3.31Å; Q415-Q419 WeakPolarHBondContact O-CG 3.47Å; Q415-Q419 PolarHBondContact O-N 3.49Å; Q415-H448 PolarHBondContact OE1-CE1 3.13Å; Q415-H448 PolarHBondContact OE1-NE2 2.99Å
416D91.6Very high88.8Confident76 Ų7661.2 Ų61.241%0.40630%0.303SS..Hα-helixtrans-61.9-50174.9-171.136.7000111.6D412 L413 A418 Q419D412-D416 WeakPolarHBondContact O-CB 3.41Å; D412-D416 PolarHBondContact O-N 2.76Å; L413-D416 PolarHBondContact O-N 3.18Å; D416-A418 PolarHBondContact O-N 3.06Å; D416-Q419 VanDerWaalsContact O-CB 3.31Å; D416-Q419 WeakPolarHBondContact O-CB 3.37Å; D416-Q419 WeakPolarHBondContact O-CG 3.24Å; D416-Q419 PolarHBondContact O-N 2.85Å
417L90.9Very high89Confident1 Ų160.8 Ų60.81%0.00530%0.3CS..Hα-helixtrans-61.2-31.1176.6-66.9178.2000112.8V382 I398 I409 L413 Q419 Y420 L435V382-L417 HydrophobicContact CB-CD2 4.25Å; V382-L417 HydrophobicContact CG1-CD2 3.82Å; V382-L417 HydrophobicContact CG2-CD2 4.18Å; I398-L417 HydrophobicContact CD1-CD1 3.89Å; I398-L417 HydrophobicContact CG2-CD1 3.99Å; I409-L417 HydrophobicContact CD1-CD1 4.27Å; L413-L417 HydrophobicContact CD1-CD1 4.36Å; L413-L417 HydrophobicContact CD1-CG 4.26Å; L413-L417 HydrophobicContact CG-CD1 4.2Å; L413-L417 HydrophobicContact CG-CG 4.49Å; L413-L417 WeakPolarHBondContact O-CB 3.25Å; L413-L417 VanDerWaalsContact O-CG 3.27Å; L413-L417 WeakPolarHBondContact O-CG 3.27Å; L413-L417 PolarHBondContact O-N 2.99Å; L417-Q419 VanDerWaalsContact C-N 3.29Å; L417-Q419 PolarHBondContact O-N 2.95Å; L417-Y420 PolarHBondContact O-N 3.11Å; L417-L435 HydrophobicContact CB-CD2 3.85Å; L417-L435 HydrophobicContact CD1-CD2 3.99Å
418A90.7Very high89.2Confident3 Ų357.5 Ų57.53%0.02528%0.283CS..Hα-helixtrans-69.1-23.617600000113.1L414 Q415 D416 Y420 K421 I436L414-A418 VanDerWaalsContact O-CB 3.32Å; L414-A418 WeakPolarHBondContact O-CB 3.2Å; L414-A418 PolarHBondContact O-N 3.47Å; Q415-A418 WeakPolarHBondContact O-CB 3.46Å; Q415-A418 PolarHBondContact O-N 3.28Å; D416-A418 PolarHBondContact O-N 3.06Å; A418-Y420 PolarHBondContact O-N 3.31Å; A418-K421 WeakPolarHBondContact O-CB 3.28Å; A418-K421 WeakPolarHBondContact O-CD 3.32Å; A418-K421 WeakPolarHBondContact O-CG 3.48Å; A418-K421 PolarHBondContact O-N 3.07Å; A418-I436 HydrophobicContact CB-CD1 4.01Å; A418-I436 HydrophobicContact CB-CG1 3.93Å
419Q90.7Very high89.4Confident123 Ų12359.4 Ų59.458%0.57529%0.292SS*.Hα-helixtrans-64.4-28.2178.2-55-169.71700112.2Q415 D416 L417 K421 T422Q415-Q419 VanDerWaalsContact O-CG 3.31Å; Q415-Q419 WeakPolarHBondContact O-CG 3.47Å; Q415-Q419 PolarHBondContact O-N 3.49Å; D416-Q419 VanDerWaalsContact O-CB 3.31Å; D416-Q419 WeakPolarHBondContact O-CB 3.37Å; D416-Q419 WeakPolarHBondContact O-CG 3.24Å; D416-Q419 PolarHBondContact O-N 2.85Å; L417-Q419 VanDerWaalsContact C-N 3.29Å; L417-Q419 PolarHBondContact O-N 2.95Å; Q419-K421 PolarHBondContact O-N 2.89Å; Q419-T422 PolarHBondContact O-N 2.9Å; Q419-T422 PolarHBondContact O-OG1 3.28Å
420Y91.1Very high89.4Confident35 Ų3560.4 Ų60.414%0.13730%0.297CS..G310 helixtrans-63.7-3.4176.6-71.7-74.1000114.6V382 M391 L417 A418 T422 H423 V428V382-Y420 HydrophobicContact CG1-CD2 4.14Å; V382-Y420 HydrophobicContact CG1-CE2 3.51Å; M391-Y420 HydrophobicContact CE-CD1 3.91Å; M391-Y420 HydrophobicContact CE-CE1 3.33Å; L417-Y420 PolarHBondContact O-N 3.11Å; A418-Y420 PolarHBondContact O-N 3.31Å; Y420-T422 PolarHBondContact O-N 3.43Å; Y420-T422 VanDerWaalsContact O-N 3.09Å; Y420-H423 HydrophobicContact CD1-CB 4.21Å; Y420-H423 AromaticContact CD1-CD2 3.98Å; Y420-H423 WeakPolarHBondContact O-CB 3.08Å; Y420-H423 PolarHBondContact O-N 3.27Å; Y420-V428 HydrophobicContact CD1-CG1 3.95Å; Y420-V428 HydrophobicContact CG-CG1 4.18Å
421K89.2Confident89.4Confident52 Ų5257 Ų5723%0.22628%0.279CS..G310 helixtrans-60.6-15.217376.9-170.5177.7-167.40115.1A418 Q419 M429 R433 I436 D451A418-K421 WeakPolarHBondContact O-CB 3.28Å; A418-K421 WeakPolarHBondContact O-CD 3.32Å; A418-K421 WeakPolarHBondContact O-CG 3.48Å; A418-K421 PolarHBondContact O-N 3.07Å; Q419-K421 PolarHBondContact O-N 2.89Å; K421-M429 WeakPolarHBondContact O-CG 3.48Å; K421-R433 HydrophobicContact CB-CG 4.38Å; K421-R433 PolarHBondContact O-NH2 2.87Å; K421-I436 HydrophobicContact CB-CD1 4.07Å; K421-I436 HydrophobicContact CD-CD1 4.14Å; K421-D451 IonicContact NZ-OD1 3.99Å; K421-D451 PolarHBondContact NZ-OD1 3.26Å; K421-D451 IonicContact NZ-OD2 3.98Å; K421-D451 PolarHBondContact NZ-OD2 3.36Å
422T90.2Very high89.6Confident113 Ų11352.6 Ų52.669%0.69326%0.258SS*.G310 helixtrans-11410175.343.20000113.2Q419 Y420Q419-T422 PolarHBondContact O-N 2.9Å; Q419-T422 PolarHBondContact O-OG1 3.28Å; Y420-T422 PolarHBondContact O-N 3.43Å; Y420-T422 VanDerWaalsContact O-N 3.09Å
423H89.6Confident89.6Confident48 Ų4851.3 Ų51.322%0.22224%0.243CC..  trans-59.6150.5-179.8-169.9-102.5000112.5Y420 D425 V428 M429Y420-H423 HydrophobicContact CD1-CB 4.21Å; Y420-H423 AromaticContact CD1-CD2 3.98Å; Y420-H423 WeakPolarHBondContact O-CB 3.08Å; Y420-H423 PolarHBondContact O-N 3.27Å; H423-D425 VanDerWaalsContact C-N 3.29Å; H423-D425 IonicContact CE1-OD2 2.61Å; H423-D425 PolarHBondContact ND1-N 2.77Å; H423-D425 VanDerWaalsContact ND1-N 3.15Å; H423-D425 PolarHBondContact O-N 3.12Å; H423-V428 HydrophobicContact CB-CB 4.4Å; H423-V428 HydrophobicContact CB-CG1 4.08Å; H423-M429 WeakPolarHBondContact O-CE 3.16Å
424K87.6Confident89.5Confident202 Ų20250.8 Ų50.888%0.87824%0.244SC*.SBendtrans-60.3-39.1-177.8-67.2177.9-177.7172.50111.9
425D87Confident89.4Confident65 Ų6550.8 Ų50.835%0.34824%0.244SC..SBendtrans-78.7124.9178.1-74.6-45.1000112.7H423 N427 V428 M429H423-D425 VanDerWaalsContact C-N 3.29Å; H423-D425 IonicContact CE1-OD2 2.61Å; H423-D425 PolarHBondContact ND1-N 2.77Å; H423-D425 VanDerWaalsContact ND1-N 3.15Å; H423-D425 PolarHBondContact O-N 3.12Å; D425-N427 PolarHBondContact O-N 3.48Å; D425-V428 HydrophobicContact CB-CB 4.38Å; D425-V428 HydrophobicContact CB-CG2 4.06Å; D425-V428 PolarHBondContact O-N 2.66Å; D425-M429 VanDerWaalsContact O-CB 3.3Å; D425-M429 WeakPolarHBondContact O-CB 3.33Å; D425-M429 PolarHBondContact O-N 3.38Å
426K88Confident89.4Confident116 Ų11649.6 Ų49.650%0.50424%0.238SC..Hα-helixtrans-60.9-32.1178.6-171.7179.6177.8-170.40112.8M430K426-M430 HydrophobicContact CG-CG 4.24Å; K426-M430 WeakPolarHBondContact O-CB 3.46Å; K426-M430 WeakPolarHBondContact O-CG 3.48Å; K426-M430 PolarHBondContact O-N 2.96Å
427N88.3Confident89.2Confident15 Ų1549.5 Ų49.58%0.0824%0.235CC..Hα-helixtrans-65.6-57.3-179.7-70.5-19.4000110.4T392 D425 M429 M430 S431 H600 K601T392-N427 HydrophobicContact CG2-CB 4.07Å; T392-N427 WeakPolarHBondContact OG1-CB 3.21Å; D425-N427 PolarHBondContact O-N 3.48Å; N427-M429 VanDerWaalsContact C-N 3.29Å; N427-M429 PolarHBondContact O-N 3.09Å; N427-M430 PolarHBondContact O-N 3.13Å; N427-S431 PolarHBondContact O-N 3.31Å; N427-S431 PolarHBondContact O-OG 2.81Å; N427-H600 PolarHBondContact OD1-N 3.3Å; N427-H600 VanDerWaalsContact OD1-N 3.09Å; N427-K601 WeakPolarHBondContact OD1-CA 3.46Å; N427-K601 WeakPolarHBondContact OD1-CB 3.4Å; N427-K601 PolarHBondContact OD1-N 3.39Å
428V90.2Very high88.9Confident0 Ų050.2 Ų50.20%024%0.239CC..Hα-helixtrans-53.9-46175-176.80000111.2G388 M391 T392 I395 Y420 H423 D425 M430 S431 A432G388-V428 WeakPolarHBondContact O-CG2 3.4Å; M391-V428 HydrophobicContact CB-CG2 3.85Å; M391-V428 HydrophobicContact CE-CG1 4.32Å; M391-V428 HydrophobicContact SD-CG2 4.46Å; T392-V428 PolarHBondContact OG1-N 3.07Å; T392-V428 VanDerWaalsContact OG1-N 3.13Å; I395-V428 HydrophobicContact CD1-CG1 3.84Å; Y420-V428 HydrophobicContact CD1-CG1 3.95Å; Y420-V428 HydrophobicContact CG-CG1 4.18Å; H423-V428 HydrophobicContact CB-CB 4.4Å; H423-V428 HydrophobicContact CB-CG1 4.08Å; D425-V428 HydrophobicContact CB-CB 4.38Å; D425-V428 HydrophobicContact CB-CG2 4.06Å; D425-V428 PolarHBondContact O-N 2.66Å; V428-M430 VanDerWaalsContact C-N 3.32Å; V428-M430 PolarHBondContact O-N 3.15Å; V428-S431 PolarHBondContact O-N 3Å; V428-A432 WeakPolarHBondContact O-CB 3.25Å; V428-A432 PolarHBondContact O-N 3.12Å
429M89.4Confident88.7Confident40 Ų4050.1 Ų50.120%0.19724%0.238CC..Hα-helixtrans-57.6-41.4176.8-175.1-169.5-6700113.1K421 H423 D425 N427 R433K421-M429 WeakPolarHBondContact O-CG 3.48Å; H423-M429 WeakPolarHBondContact O-CE 3.16Å; D425-M429 VanDerWaalsContact O-CB 3.3Å; D425-M429 WeakPolarHBondContact O-CB 3.33Å; D425-M429 PolarHBondContact O-N 3.38Å; N427-M429 VanDerWaalsContact C-N 3.29Å; N427-M429 PolarHBondContact O-N 3.09Å; M429-R433 VanDerWaalsContact O-CG 3.27Å; M429-R433 WeakPolarHBondContact O-CG 3.37Å; M429-R433 PolarHBondContact O-N 2.85Å; M429-R433 PolarHBondContact SD-NH1 3.21Å; M429-R433 VanDerWaalsContact SD-NH1 3.37Å; M429-R433 PolarHBondContact SD-NH2 3.37Å
430M86.9Confident88.4Confident31 Ų3147.4 Ų47.415%0.15322%0.222CC..Hα-helixtrans-75.3-38.1-179.4-72.2-61-56.100111.6K426 N427 V428 R433 G434 A579 H600K426-M430 HydrophobicContact CG-CG 4.24Å; K426-M430 WeakPolarHBondContact O-CB 3.46Å; K426-M430 WeakPolarHBondContact O-CG 3.48Å; K426-M430 PolarHBondContact O-N 2.96Å; N427-M430 PolarHBondContact O-N 3.13Å; V428-M430 VanDerWaalsContact C-N 3.32Å; V428-M430 PolarHBondContact O-N 3.15Å; M430-R433 PolarHBondContact O-N 3.36Å; M430-G434 PolarHBondContact O-N 3.26Å; M430-A579 HydrophobicContact CE-CB 3.92Å; M430-H600 HydrophobicContact CB-CB 3.99Å; M430-H600 WeakPolarHBondContact CB-CD2 3.34Å; M430-H600 HydrophobicContact CG-CB 3.95Å
431S88.3Confident87.9Confident1 Ų150.7 Ų50.71%0.00724%0.242CC..Hα-helixtrans-62.8-47.3175.1-64.90000112T392 N396 N427 V428 R433 G434 L435T392-S431 WeakPolarHBondContact CG2-OG 3.29Å; N396-S431 VanDerWaalsContact OD1-CB 3.23Å; N396-S431 WeakPolarHBondContact OD1-CB 3.48Å; N396-S431 PolarHBondContact OD1-OG 2.84Å; N427-S431 PolarHBondContact O-N 3.31Å; N427-S431 PolarHBondContact O-OG 2.81Å; V428-S431 PolarHBondContact O-N 3Å; S431-R433 VanDerWaalsContact C-N 3.3Å; S431-R433 PolarHBondContact O-N 3.25Å; S431-G434 WeakPolarHBondContact O-CA 3.13Å; S431-G434 PolarHBondContact O-N 3.5Å; S431-L435 PolarHBondContact O-N 3.22Å
432A91.4Very high87.4Confident0 Ų050.5 Ų50.50%024%0.244CC..Hα-helixtrans-59.6-40.2174.700000112V428 G434 L435 I436V428-A432 WeakPolarHBondContact O-CB 3.25Å; V428-A432 PolarHBondContact O-N 3.12Å; A432-G434 VanDerWaalsContact C-N 3.31Å; A432-G434 PolarHBondContact O-N 2.99Å; A432-L435 PolarHBondContact O-N 3Å; A432-I436 VanDerWaalsContact O-CG1 3.32Å; A432-I436 WeakPolarHBondContact O-CG1 3.34Å; A432-I436 PolarHBondContact O-N 3.16Å
433R89.8Confident86.9Confident103 Ų10346.5 Ų46.539%0.38922%0.218SC..Hα-helixtrans-65.2-33.5173-75.7176.3-177.915211.3113.1K421 M429 M430 S431 Q437K421-R433 HydrophobicContact CB-CG 4.38Å; K421-R433 PolarHBondContact O-NH2 2.87Å; M429-R433 VanDerWaalsContact O-CG 3.27Å; M429-R433 WeakPolarHBondContact O-CG 3.37Å; M429-R433 PolarHBondContact O-N 2.85Å; M429-R433 PolarHBondContact SD-NH1 3.21Å; M429-R433 VanDerWaalsContact SD-NH1 3.37Å; M429-R433 PolarHBondContact SD-NH2 3.37Å; M430-R433 PolarHBondContact O-N 3.36Å; S431-R433 VanDerWaalsContact C-N 3.3Å; S431-R433 PolarHBondContact O-N 3.25Å; R433-Q437 WeakPolarHBondContact O-CB 3.22Å; R433-Q437 PolarHBondContact O-N 3.04Å
434G87.9Confident86.5Confident12 Ų1244.9 Ų44.912%0.12421%0.212CC..Hα-helixtrans-63.4-44.7173.400000111.9M430 S431 A432 Q437 L438M430-G434 PolarHBondContact O-N 3.26Å; S431-G434 WeakPolarHBondContact O-CA 3.13Å; S431-G434 PolarHBondContact O-N 3.5Å; A432-G434 VanDerWaalsContact C-N 3.31Å; A432-G434 PolarHBondContact O-N 2.99Å; G434-Q437 PolarHBondContact O-N 3.41Å; G434-L438 PolarHBondContact O-N 3.41Å
435L89Confident86.3Confident1 Ų141.6 Ų41.61%0.00520%0.199CC..Hα-helixtrans-62.6-46.3175.3-175.866.6000111.8R399 L414 L417 S431 A432 Q437 L438 F439R399-L435 HydrophobicContact CB-CB 4.49Å; R399-L435 HydrophobicContact CB-CD1 3.9Å; R399-L435 HydrophobicContact CG-CD1 4.26Å; L414-L435 HydrophobicContact CD1-CD1 4.44Å; L414-L435 HydrophobicContact CD1-CD2 3.96Å; L414-L435 HydrophobicContact CD1-CG 3.98Å; L417-L435 HydrophobicContact CB-CD2 3.85Å; L417-L435 HydrophobicContact CD1-CD2 3.99Å; S431-L435 PolarHBondContact O-N 3.22Å; A432-L435 PolarHBondContact O-N 3Å; L435-Q437 VanDerWaalsContact C-N 3.26Å; L435-Q437 PolarHBondContact O-N 2.98Å; L435-L438 WeakPolarHBondContact O-CB 3.37Å; L435-L438 PolarHBondContact O-N 3.32Å; L435-L438 VanDerWaalsContact O-N 3.15Å; L435-F439 HydrophobicContact CD1-CD2 4.01Å; L435-F439 HydrophobicContact CD1-CE2 3.83Å; L435-F439 HydrophobicContact CG-CD2 4.36Å; L435-F439 PolarHBondContact O-N 2.79Å; L435-F439 VanDerWaalsContact O-N 3.09Å
436I89.1Confident86.1Confident4 Ų440 Ų402%0.02119%0.191CC..Hα-helixtrans-57.7-42.2174.6-66.8165.5000110.7A418 K421 A432 L438 F439 R440 L447 D451A418-I436 HydrophobicContact CB-CD1 4.01Å; A418-I436 HydrophobicContact CB-CG1 3.93Å; K421-I436 HydrophobicContact CB-CD1 4.07Å; K421-I436 HydrophobicContact CD-CD1 4.14Å; A432-I436 VanDerWaalsContact O-CG1 3.32Å; A432-I436 WeakPolarHBondContact O-CG1 3.34Å; A432-I436 PolarHBondContact O-N 3.16Å; I436-L438 VanDerWaalsContact C-N 3.32Å; I436-L438 PolarHBondContact O-N 3.3Å; I436-F439 PolarHBondContact O-N 3.38Å; I436-R440 HydrophobicContact CG2-CG 4.46Å; I436-R440 VanDerWaalsContact O-CG 3.32Å; I436-R440 WeakPolarHBondContact O-CG 3.43Å; I436-R440 PolarHBondContact O-N 3.43Å; I436-L447 HydrophobicContact CG2-CD1 4.1Å; I436-D451 HydrophobicContact CG2-CB 4.24Å
437Q87.3Confident85.9Confident74 Ų7434.6 Ų34.635%0.34617%0.167SC..Hα-helixtrans-67.1-33.9-179.8-171.95841.700112.6R433 G434 L435 R440 N441R433-Q437 WeakPolarHBondContact O-CB 3.22Å; R433-Q437 PolarHBondContact O-N 3.04Å; G434-Q437 PolarHBondContact O-N 3.41Å; L435-Q437 VanDerWaalsContact C-N 3.26Å; L435-Q437 PolarHBondContact O-N 2.98Å; Q437-R440 VanDerWaalsContact OE1-NH1 3.1Å; Q437-N441 PolarHBondContact NE2-OD1 3.43Å; Q437-N441 PolarHBondContact O-N 3.25Å
438L85.7Confident85.8Confident17 Ų1737.9 Ų37.99%0.08918%0.182CC..Hα-helixtrans-62.7-51.5173.2178.969.1000110.6R399 A402 G434 L435 I436 R440 N441 L442R399-L438 HydrophobicContact CG-CB 4.5Å; R399-L438 HydrophobicContact CG-CD2 3.87Å; R399-L438 VanDerWaalsContact O-CD2 3.28Å; R399-L438 WeakPolarHBondContact O-CD2 3.3Å; A402-L438 HydrophobicContact CB-CD2 4.37Å; G434-L438 PolarHBondContact O-N 3.41Å; L435-L438 WeakPolarHBondContact O-CB 3.37Å; L435-L438 PolarHBondContact O-N 3.32Å; L435-L438 VanDerWaalsContact O-N 3.15Å; I436-L438 VanDerWaalsContact C-N 3.32Å; I436-L438 PolarHBondContact O-N 3.3Å; L438-R440 VanDerWaalsContact C-N 3.31Å; L438-R440 PolarHBondContact O-N 3.11Å; L438-N441 WeakPolarHBondContact O-CB 3.43Å; L438-N441 PolarHBondContact O-N 3.23Å; L438-L442 HydrophobicContact CD1-CD1 3.81Å; L438-L442 HydrophobicContact CD1-CG 4.26Å; L438-L442 HydrophobicContact CD2-CD1 4.24Å; L438-L442 HydrophobicContact CG-CD1 3.69Å; L438-L442 HydrophobicContact CG-CG 4.38Å; L438-L442 PolarHBondContact O-N 3.43Å
439F86Confident85.5Confident0 Ų046.3 Ų46.30%022%0.219CC..Hα-helixtrans-69.6-23.7-179.9-82.4-86.6000113.8A402 I409 L414 L435 I436 N441 L442 N443 L446 L447A402-F439 HydrophobicContact CB-CE2 3.84Å; A402-F439 HydrophobicContact CB-CZ 3.93Å; I409-F439 HydrophobicContact CG2-CE1 3.85Å; I409-F439 HydrophobicContact CG2-CE2 4.14Å; I409-F439 HydrophobicContact CG2-CZ 3.32Å; L414-F439 HydrophobicContact CD1-CD2 3.5Å; L414-F439 HydrophobicContact CD1-CE2 3.74Å; L414-F439 HydrophobicContact CD1-CG 3.96Å; L414-F439 HydrophobicContact CD1-CZ 4.37Å; L414-F439 HydrophobicContact CD2-CB 4.25Å; L414-F439 HydrophobicContact CD2-CD1 3.71Å; L414-F439 HydrophobicContact CD2-CD2 4.16Å; L414-F439 HydrophobicContact CD2-CE1 4.14Å; L414-F439 HydrophobicContact CD2-CG 3.74Å; L435-F439 HydrophobicContact CD1-CD2 4.01Å; L435-F439 HydrophobicContact CD1-CE2 3.83Å; L435-F439 HydrophobicContact CG-CD2 4.36Å; L435-F439 PolarHBondContact O-N 2.79Å; L435-F439 VanDerWaalsContact O-N 3.09Å; I436-F439 PolarHBondContact O-N 3.38Å; F439-N441 PolarHBondContact O-N 3.32Å; F439-L442 PolarHBondContact O-N 2.76Å; F439-N443 CarbonylContact O-C 3.58Å; F439-N443 WeakPolarHBondContact O-CA 3.46Å; F439-N443 PolarHBondContact O-N 2.76Å; F439-L446 HydrophobicContact CD1-CD1 4.05Å; F439-L446 HydrophobicContact CE1-CD1 3.96Å; F439-L447 HydrophobicContact CB-CD1 3.88Å; F439-L447 HydrophobicContact CB-CD2 4.24Å; F439-L447 HydrophobicContact CB-CG 4Å
440R84.9Confident85.2Confident67 Ų6753.4 Ų53.425%0.25325%0.249SC..Hα-helixtrans-62.8-26.4166.7-77.8177.4-175.1151.36.3113.7I436 Q437 L438 P444 L447 D451I436-R440 HydrophobicContact CG2-CG 4.46Å; I436-R440 VanDerWaalsContact O-CG 3.32Å; I436-R440 WeakPolarHBondContact O-CG 3.43Å; I436-R440 PolarHBondContact O-N 3.43Å; Q437-R440 VanDerWaalsContact OE1-NH1 3.1Å; L438-R440 VanDerWaalsContact C-N 3.31Å; L438-R440 PolarHBondContact O-N 3.11Å; R440-P444 WeakPolarHBondContact O-CG 3.33Å; R440-L447 HydrophobicContact CG-CD1 3.92Å; R440-D451 VanDerWaalsContact CZ-O 3.23Å; R440-D451 PolarHBondContact NE-O 3.39Å; R440-D451 PolarHBondContact NH2-O 2.89Å
441N80.4Confident85Confident103 Ų10352.6 Ų52.655%0.55125%0.245SC*.Hα-helixtrans-94.1-31179.2-62.7-12.4000111.8Q437 L438 F439 A462Q437-N441 PolarHBondContact NE2-OD1 3.43Å; Q437-N441 PolarHBondContact O-N 3.25Å; L438-N441 WeakPolarHBondContact O-CB 3.43Å; L438-N441 PolarHBondContact O-N 3.23Å; F439-N441 PolarHBondContact O-N 3.32Å; N441-A462 WeakPolarHBondContact O-CB 3.4Å
442L78.8Confident84.5Confident49 Ų4957 Ų5726%0.25726%0.261SS..Hα-helixtrans-88.7-54.8-177.8-65.6175.9000112.7P406 L438 F439 I464P406-L442 HydrophobicContact CB-CD1 4.07Å; P406-L442 HydrophobicContact CG-CD1 3.88Å; L438-L442 HydrophobicContact CD1-CD1 3.81Å; L438-L442 HydrophobicContact CD1-CG 4.26Å; L438-L442 HydrophobicContact CD2-CD1 4.24Å; L438-L442 HydrophobicContact CG-CD1 3.69Å; L438-L442 HydrophobicContact CG-CG 4.38Å; L438-L442 PolarHBondContact O-N 3.43Å; F439-L442 PolarHBondContact O-N 2.76Å; L442-I464 HydrophobicContact CB-CG1 4.45Å
443N79.7Confident83.8Confident28 Ų2859.1 Ų59.115%0.1528%0.283CS..  trans-157.398.1177.5-175.5-6.3000110.9F439 Q445 L446 I464F439-N443 CarbonylContact O-C 3.58Å; F439-N443 WeakPolarHBondContact O-CA 3.46Å; F439-N443 PolarHBondContact O-N 2.76Å; N443-Q445 PolarHBondContact O-N 3.3Å; N443-Q445 VanDerWaalsContact OD1-CB 3.27Å; N443-Q445 WeakPolarHBondContact OD1-CB 3.18Å; N443-Q445 PolarHBondContact OD1-N 2.52Å; N443-L446 HydrophobicContact CB-CD1 4.18Å; N443-I464 HydrophobicContact CB-CD1 3.35Å; N443-I464 HydrophobicContact CB-CG1 3.69Å
444P81.4Confident82.8Confident15 Ų1563.2 Ų63.210%0.09730%0.298CS..G310 helixtrans-64.8-16178-23.634.1000114.5R440 L447 R452 S459R440-P444 WeakPolarHBondContact O-CG 3.33Å; P444-L447 PolarHBondContact O-N 2.9Å; P444-R452 HydrophobicContact CB-CG 4.44Å; P444-R452 WeakPolarHBondContact O-CD 3.39Å; P444-R452 VanDerWaalsContact O-CG 3.31Å; P444-R452 WeakPolarHBondContact O-CG 3.46Å; P444-R452 PolarHBondContact O-NE 2.94Å; P444-S459 WeakPolarHBondContact CG-O 3.49Å
445Q82.1Confident81.6Confident132 Ų13267.4 Ų67.462%0.61732%0.324SS*.G310 helixtrans-70.8-37.6-174.1-58.2-171.12.100112.3N443 L447 R452N443-Q445 PolarHBondContact O-N 3.3Å; N443-Q445 VanDerWaalsContact OD1-CB 3.27Å; N443-Q445 WeakPolarHBondContact OD1-CB 3.18Å; N443-Q445 PolarHBondContact OD1-N 2.52Å; Q445-L447 PolarHBondContact O-N 3.12Å; Q445-L447 VanDerWaalsContact O-N 3.16Å; Q445-R452 PolarHBondContact O-NH2 3.49Å
446L83.3Confident80.4Confident33 Ų3370.6 Ų70.617%0.17334%0.343CS..G310 helixtrans-61.1-21.4175.2-70.7165.6000113E411 L414 F439 N443 I464E411-L446 HydrophobicContact CB-CD2 4.03Å; E411-L446 HydrophobicContact CG-CD2 4.36Å; L414-L446 HydrophobicContact CD2-CB 3.71Å; F439-L446 HydrophobicContact CD1-CD1 4.05Å; F439-L446 HydrophobicContact CE1-CD1 3.96Å; N443-L446 HydrophobicContact CB-CD1 4.18Å; L446-I464 HydrophobicContact CD1-CD1 3.88Å
447L85Confident79Confident2 Ų273.7 Ų73.71%0.0136%0.358CS..SBendtrans-86.4144.4175.3-65.6171.8000111.2L414 I436 F439 R440 P444 Q445 D451 R452L414-L447 HydrophobicContact CD2-CD2 3.92Å; L414-L447 HydrophobicContact CD2-CG 4.42Å; L414-L447 HydrophobicContact CG-CD2 4.14Å; I436-L447 HydrophobicContact CG2-CD1 4.1Å; F439-L447 HydrophobicContact CB-CD1 3.88Å; F439-L447 HydrophobicContact CB-CD2 4.24Å; F439-L447 HydrophobicContact CB-CG 4Å; R440-L447 HydrophobicContact CG-CD1 3.92Å; P444-L447 PolarHBondContact O-N 2.9Å; Q445-L447 PolarHBondContact O-N 3.12Å; Q445-L447 VanDerWaalsContact O-N 3.16Å; L447-D451 HydrophobicContact CB-CB 4.45Å; L447-R452 HydrophobicContact CB-CG 4.33Å; L447-R452 PolarHBondContact O-NE 2.99Å; L447-R452 PolarHBondContact O-NH2 3.27Å
448H84.9Confident77.7Confident83 Ų8373.7 Ų73.738%0.38437%0.37SS..  trans-54.5148167.7-72.6-49.3000112Q415 K450 D451 R452Q415-H448 PolarHBondContact OE1-CE1 3.13Å; Q415-H448 PolarHBondContact OE1-NE2 2.99Å; H448-K450 PolarHBondContact O-N 3.06Å; H448-D451 PolarHBondContact O-N 2.96Å; H448-R452 WeakPolarHBondContact O-CG 3.29Å; H448-R452 PolarHBondContact O-N 3.17Å
449K83.3Confident76.5Confident178 Ų17873.8 Ų73.877%0.77437%0.372SS*.THydrogen-bonded Turntrans-48.9-34.7179.4-68.6-178.8179.5177.60113.8D451K449-D451 VanDerWaalsContact C-N 3.27Å; K449-D451 PolarHBondContact O-N 3.38Å
450K84.5Confident75.3Confident189 Ų18978.4 Ų78.482%0.82240%0.4SS*.THydrogen-bonded Turntrans-65.7-28.3178.2-64.5177-177.4171.70113.1H448H448-K450 PolarHBondContact O-N 3.06Å
451D82.3Confident74.3Confident14 Ų1479.6 Ų79.68%0.07541%0.409CS..THydrogen-bonded Turntrans-103.4-10-171.9-69.1-46.3000113.8K421 I436 R440 L447 H448 K449 G453K421-D451 IonicContact NZ-OD1 3.99Å; K421-D451 PolarHBondContact NZ-OD1 3.26Å; K421-D451 IonicContact NZ-OD2 3.98Å; K421-D451 PolarHBondContact NZ-OD2 3.36Å; I436-D451 HydrophobicContact CG2-CB 4.24Å; R440-D451 VanDerWaalsContact CZ-O 3.23Å; R440-D451 PolarHBondContact NE-O 3.39Å; R440-D451 PolarHBondContact NH2-O 2.89Å; L447-D451 HydrophobicContact CB-CB 4.45Å; H448-D451 PolarHBondContact O-N 2.96Å; K449-D451 VanDerWaalsContact C-N 3.27Å; K449-D451 PolarHBondContact O-N 3.38Å; D451-G453 PolarHBondContact O-N 3.12Å; D451-G453 VanDerWaalsContact O-N 3.15Å
452R78.3Confident73.4Confident93 Ų9375.6 Ų75.635%0.35139%0.39SS..SBendtrans-61.4-21.4176.3-60.1-171.5-177.6172.8-4.3114.1P444 Q445 L447 H448P444-R452 HydrophobicContact CB-CG 4.44Å; P444-R452 WeakPolarHBondContact O-CD 3.39Å; P444-R452 VanDerWaalsContact O-CG 3.31Å; P444-R452 WeakPolarHBondContact O-CG 3.46Å; P444-R452 PolarHBondContact O-NE 2.94Å; Q445-R452 PolarHBondContact O-NH2 3.49Å; L447-R452 HydrophobicContact CB-CG 4.33Å; L447-R452 PolarHBondContact O-NE 2.99Å; L447-R452 PolarHBondContact O-NH2 3.27Å; H448-R452 WeakPolarHBondContact O-CG 3.29Å; H448-R452 PolarHBondContact O-N 3.17Å
453G76.3Confident72.9Confident44 Ų4481.5 Ų81.545%0.45441%0.414SS..  trans71.3-162-17400000111.6D451D451-G453 PolarHBondContact O-N 3.12Å; D451-G453 VanDerWaalsContact O-N 3.15Å
454R69.3Low72.2Confident189 Ų18981.6 Ų81.671%0.71341%0.414SS*.SBendtrans-83.1129.9175.9-169.3177.4-172.5-168.21.6108.5T456R454-T456 PolarHBondContact O-N 3.35Å
455P61.9Low71.7Confident101 Ų10184.1 Ų84.166%0.65642%0.423SS*.PPolyproline II helixtrans-60.5122.6178.221.8-29.7000109.7T460P455-T460 HydrophobicContact CB-CG2 4.29Å
456T64.3Low71.2Confident67 Ų6783.2 Ų83.241%0.41142%0.423SS..PPolyproline II helixtrans-102.8150.2166.440.20000109R454 A458 S459 T460R454-T456 PolarHBondContact O-N 3.35Å; T456-A458 PolarHBondContact O-N 3.03Å; T456-S459 WeakPolarHBondContact CA-OG 3.45Å; T456-S459 PolarHBondContact N-OG 3.28Å; T456-S459 WeakPolarHBondContact O-CA 2.97Å; T456-S459 PolarHBondContact O-N 3.46Å; T456-S459 PolarHBondContact O-OG 3.49Å; T456-S459 WeakPolarHBondContact OG1-CB 3.4Å; T456-S459 PolarHBondContact OG1-OG 2.91Å; T456-T460 PolarHBondContact O-N 2.92Å; T456-T460 PolarHBondContact O-OG1 3.18Å
457E59.9Low70.8Confident70 Ų7087 Ų8733%0.32744%0.435SS..Hα-helixtrans-53.5-41.4177.8-65.7-175.1157.800111.6S459 T460 E461 R536 K564E457-S459 VanDerWaalsContact C-N 3.3Å; E457-S459 PolarHBondContact O-N 3.38Å; E457-T460 WeakPolarHBondContact CA-OG1 3.38Å; E457-T460 PolarHBondContact O-N 2.95Å; E457-T460 PolarHBondContact O-OG1 3.34Å; E457-E461 WeakPolarHBondContact O-CG 3.44Å; E457-E461 PolarHBondContact O-N 3.01Å; E457-R536 IonicContact OE1-CZ 3.7Å; E457-R536 IonicContact OE1-NH1 3.4Å; E457-R536 PolarHBondContact OE1-NH1 2.97Å; E457-R536 IonicContact OE1-NH2 3.66Å; E457-R536 PolarHBondContact OE1-NH2 3.43Å; E457-R536 IonicContact OE2-NH1 3.43Å; E457-R536 PolarHBondContact OE2-NH1 3.34Å; E457-K564 WeakPolarHBondContact OE2-CE 3.46Å; E457-K564 IonicContact OE2-NZ 2.93Å; E457-K564 PolarHBondContact OE2-NZ 2.89Å
458A59.3Low69.9Low74 Ų7489.2 Ų89.261%0.61246%0.459SS*.Hα-helixtrans-63.1-30.5174.800000114.1T456 A462T456-A458 PolarHBondContact O-N 3.03Å; A458-A462 WeakPolarHBondContact O-CB 3.17Å; A458-A462 PolarHBondContact O-N 2.93Å
459S60.1Low69.4Low18 Ų1890 Ų9013%0.12646%0.463CS..Hα-helixtrans-82.4-22.7176.860.50000113P444 T456 E457P444-S459 WeakPolarHBondContact CG-O 3.49Å; T456-S459 WeakPolarHBondContact CA-OG 3.45Å; T456-S459 PolarHBondContact N-OG 3.28Å; T456-S459 WeakPolarHBondContact O-CA 2.97Å; T456-S459 PolarHBondContact O-N 3.46Å; T456-S459 PolarHBondContact O-OG 3.49Å; T456-S459 WeakPolarHBondContact OG1-CB 3.4Å; T456-S459 PolarHBondContact OG1-OG 2.91Å; E457-S459 VanDerWaalsContact C-N 3.3Å; E457-S459 PolarHBondContact O-N 3.38Å
460T61.8Low68.6Low97 Ų9789 Ų8960%0.59547%0.465SS*.Hα-helixtrans-81.3-29173.845.30000111.9P455 T456 E457P455-T460 HydrophobicContact CB-CG2 4.29Å; T456-T460 PolarHBondContact O-N 2.92Å; T456-T460 PolarHBondContact O-OG1 3.18Å; E457-T460 WeakPolarHBondContact CA-OG1 3.38Å; E457-T460 PolarHBondContact O-N 2.95Å; E457-T460 PolarHBondContact O-OG1 3.34Å
461E63Low67.6Low93 Ų9385.2 Ų85.244%0.43545%0.45SS..Hα-helixtrans-82.1-15.8173.8-69.6171.7-16700113.3E457 K463E457-E461 WeakPolarHBondContact O-CG 3.44Å; E457-E461 PolarHBondContact O-N 3.01Å; E461-K463 PolarHBondContact O-N 3.1Å; E461-K463 VanDerWaalsContact O-N 3.12Å
462A62.8Low66.6Low19 Ų1988.5 Ų88.516%0.15748%0.479CS..  trans-70.3105178.600000111.3N441 A458N441-A462 WeakPolarHBondContact O-CB 3.4Å; A458-A462 WeakPolarHBondContact O-CB 3.17Å; A458-A462 PolarHBondContact O-N 2.93Å
463K66.5Low66.1Low173 Ų17389 Ų8975%0.75248%0.484SS*.  trans-116.6141.4165.9-72.6-177.7178.4-177.50108.9E461E461-K463 PolarHBondContact O-N 3.1Å; E461-K463 VanDerWaalsContact O-N 3.12Å
464I66.9Low65.8Low29 Ų2993.9 Ų93.915%0.14950%0.5CS..PPolyproline II helixtrans-71.4136.5168.4-71.9160.4000107.1P406 L407 L442 N443 L446P406-I464 HydrophobicContact CB-CD1 3.79Å; P406-I464 HydrophobicContact CB-CG1 3.88Å; P406-I464 HydrophobicContact CB-CG2 4.19Å; L407-I464 HydrophobicContact CD1-CG2 4.48Å; L407-I464 HydrophobicContact CD2-CG2 3.47Å; L407-I464 VanDerWaalsContact CD2-CG2 3.47Å; L407-I464 HydrophobicContact CG-CG2 3.66Å; L442-I464 HydrophobicContact CB-CG1 4.45Å; N443-I464 HydrophobicContact CB-CD1 3.35Å; N443-I464 HydrophobicContact CB-CG1 3.69Å; L446-I464 HydrophobicContact CD1-CD1 3.88Å
465K69.2Low66Low69 Ų6987.6 Ų87.630%0.348%0.477SS..PPolyproline II helixtrans-69.1135.5172.2-60.9178.5-172.9-170.80108.5L407 E469 E471L407-K465 WeakPolarHBondContact CD1-O 3.38Å; K465-E469 WeakPolarHBondContact CA-OE2 3.43Å; K465-E469 HydrophobicContact CB-CB 4.29Å; K465-E471 HydrophobicContact CD-CB 4.29Å; K465-E471 WeakPolarHBondContact CE-OE2 3.06Å; K465-E471 VanDerWaalsContact NZ-CB 3.25Å; K465-E471 IonicContact NZ-OE2 2.87Å; K465-E471 PolarHBondContact NZ-OE2 3.44Å
466D73Confident66.5Low112 Ų11285.5 Ų85.560%0.59946%0.459SS*.PPolyproline II helixtrans-64.6159.8170.2-74.3-25.2000110.1G468 E469D466-G468 PolarHBondContact O-N 3.25Å; D466-G468 VanDerWaalsContact O-N 3.12Å; D466-E469 HydrophobicContact CB-CB 4.29Å; D466-E469 PolarHBondContact N-OE2 3.41Å; D466-E469 VanDerWaalsContact O-CB 3.28Å; D466-E469 WeakPolarHBondContact O-CB 3.41Å; D466-E469 PolarHBondContact O-N 3.35Å
467Y74.8Confident66.8Low113 Ų11385 Ų8544%0.44346%0.457SS..THydrogen-bonded Turntrans-59.4120.3-177.8178.1-100.5000110.3L364 V365 P366 E469L364-Y467 WeakPolarHBondContact O-CE2 3.45Å; L364-Y467 PolarHBondContact O-OH 3.14Å; V365-Y467 VanDerWaalsContact C-CE2 3.49Å; V365-Y467 WeakPolarHBondContact O-CE2 3.42Å; P366-Y467 HydrophobicContact CG-CE2 4.47Å; Y467-E469 VanDerWaalsContact C-N 3.35Å
468G66.4Low67.1Low49 Ų4982.3 Ų82.351%0.50545%0.448SS..THydrogen-bonded Turntrans82.32-176.300000115.6D466 L470D466-G468 PolarHBondContact O-N 3.25Å; D466-G468 VanDerWaalsContact O-N 3.12Å; G468-L470 PolarHBondContact O-N 2.82Å
469E74.5Confident67.7Low99 Ų9978.8 Ų78.846%0.46342%0.419SS..  trans-77118.3177.8-169.5-174.1-176.500111.3K465 D466 Y467K465-E469 WeakPolarHBondContact CA-OE2 3.43Å; K465-E469 HydrophobicContact CB-CB 4.29Å; D466-E469 HydrophobicContact CB-CB 4.29Å; D466-E469 PolarHBondContact N-OE2 3.41Å; D466-E469 VanDerWaalsContact O-CB 3.28Å; D466-E469 WeakPolarHBondContact O-CB 3.41Å; D466-E469 PolarHBondContact O-N 3.35Å; Y467-E469 VanDerWaalsContact C-N 3.35Å
470L66.3Low68.3Low158 Ų15879.4 Ų79.483%0.82742%0.42SS*.  trans-89.9123.5173.7-67.8172000109.8G468 A472G468-L470 PolarHBondContact O-N 2.82Å; L470-A472 VanDerWaalsContact C-N 3.32Å; L470-A472 PolarHBondContact O-N 3.42Å
471E62.4Low68.6Low109 Ų10976.5 Ų76.551%0.50940%0.402SS..  trans-82.978.9175.7-170.8-172.8-177.300109.4K465 K473K465-E471 HydrophobicContact CD-CB 4.29Å; K465-E471 WeakPolarHBondContact CE-OE2 3.06Å; K465-E471 VanDerWaalsContact NZ-CB 3.25Å; K465-E471 IonicContact NZ-OE2 2.87Å; K465-E471 PolarHBondContact NZ-OE2 3.44Å; E471-K473 VanDerWaalsContact CD-CE 3.46Å; E471-K473 HydrophobicContact CG-CG 4.31Å; E471-K473 PolarHBondContact O-N 2.5Å; E471-K473 WeakPolarHBondContact OE1-CE 3.43Å; E471-K473 IonicContact OE1-NZ 2.71Å; E471-K473 PolarHBondContact OE1-NZ 2.62Å
472A61.9Low68.8Low83 Ų8372.7 Ų72.769%0.68638%0.384SS*.  trans-77.3114.3164.400000108L470L470-A472 VanDerWaalsContact C-N 3.32Å; L470-A472 PolarHBondContact O-N 3.42Å
473K67.8Low68.6Low104 Ų10478.1 Ų78.145%0.45241%0.406SS..  trans-89119.1173.1-64.8-174-178-177.70108.4E471 Y475 P477E471-K473 VanDerWaalsContact CD-CE 3.46Å; E471-K473 HydrophobicContact CG-CG 4.31Å; E471-K473 PolarHBondContact O-N 2.5Å; E471-K473 WeakPolarHBondContact OE1-CE 3.43Å; E471-K473 IonicContact OE1-NZ 2.71Å; E471-K473 PolarHBondContact OE1-NZ 2.62Å; K473-Y475 PolarHBondContact O-N 3.22Å; K473-P477 HydrophobicContact CD-CG 4.06Å
474D69.8Low67.8Low146 Ų14674.5 Ų74.578%0.78140%0.399SS*.SBendtrans-73.8-0.8173.7-57.2-34.9000112.8
475Y73Confident66.4Low57 Ų5781.9 Ų81.922%0.22443%0.433CS..SBendtrans-138.3149.1-175.567.6-87.5000112.4K473 P477 K537 A540K473-Y475 PolarHBondContact O-N 3.22Å; Y475-P477 WeakPolarHBondContact O-CD 3.47Å; Y475-K537 HydrophobicContact CE1-CG 4.39Å; Y475-K537 HydrophobicContact CE2-CG 4.4Å; Y475-A540 HydrophobicContact CD2-CB 3.81Å; Y475-A540 HydrophobicContact CG-CB 4.35Å
476I72.9Confident64.7Low57 Ų5787 Ų8729%0.29246%0.457SS..  trans-77.7118.1172.3-61.4168.5000108G478 A479 S544 L549 F554 I557I476-G478 PolarHBondContact O-N 3.1Å; I476-A479 HydrophobicContact CB-CB 4.12Å; I476-A479 VanDerWaalsContact O-CB 3.22Å; I476-A479 WeakPolarHBondContact O-CB 3.32Å; I476-A479 PolarHBondContact O-N 2.85Å; I476-S544 PolarHBondContact N-OG 3.3Å; I476-L549 HydrophobicContact CD1-CD2 3.81Å; I476-F554 HydrophobicContact CD1-CE1 4.16Å; I476-F554 HydrophobicContact CD1-CZ 4.47Å; I476-I557 HydrophobicContact CG2-CD1 4.47Å
477P69.6Low62.7Low57 Ų5789.5 Ų89.537%0.3747%0.466SS..THydrogen-bonded Turntrans-56.2131.9178.6-25.635.3000111K473 Y475 A479 I557 Q561K473-P477 HydrophobicContact CD-CG 4.06Å; Y475-P477 WeakPolarHBondContact O-CD 3.47Å; P477-A479 VanDerWaalsContact C-N 3.29Å; P477-A479 PolarHBondContact O-N 3.07Å; P477-I557 WeakPolarHBondContact O-CG2 3.49Å; P477-Q561 PolarHBondContact O-NE2 3.43Å
478G68Low60.6Low13 Ų1391.3 Ų91.313%0.13448%0.483CS..THydrogen-bonded Turntrans78.44.6-179.300000115.5I476 E480 V481I476-G478 PolarHBondContact O-N 3.1Å; G478-E480 PolarHBondContact O-N 3.4Å; G478-V481 WeakPolarHBondContact O-CG2 3.13Å; G478-V481 PolarHBondContact O-N 2.94Å
479A71.5Confident59.1Low0 Ų097.8 Ų97.80%050%0.497CS..G310 helixtrans-63.5-15167.100000112.7I476 P477 V481 L482 A540 V543 I557I476-A479 HydrophobicContact CB-CB 4.12Å; I476-A479 VanDerWaalsContact O-CB 3.22Å; I476-A479 WeakPolarHBondContact O-CB 3.32Å; I476-A479 PolarHBondContact O-N 2.85Å; P477-A479 VanDerWaalsContact C-N 3.29Å; P477-A479 PolarHBondContact O-N 3.07Å; A479-V481 PolarHBondContact O-N 3.29Å; A479-V481 VanDerWaalsContact O-N 3.11Å; A479-L482 WeakPolarHBondContact O-CB 3.2Å; A479-L482 PolarHBondContact O-N 3.42Å; A479-L482 VanDerWaalsContact O-N 3.16Å; A479-A540 HydrophobicContact CB-CB 4.22Å; A479-V543 HydrophobicContact CB-CB 4.46Å; A479-V543 HydrophobicContact CB-CG1 4.24Å; A479-I557 HydrophobicContact CB-CD1 4.47Å
480E72.6Confident56.9Low31 Ų31101 Ų10115%0.14551%0.512CS..G310 helixtrans-57.2-18.4170.369.5-160.1-152.400114.5G478 L528 R536 A540 K564G478-E480 PolarHBondContact O-N 3.4Å; E480-L528 HydrophobicContact CB-CD2 4.49Å; E480-L528 HydrophobicContact CG-CD1 4.48Å; E480-L528 WeakPolarHBondContact O-CD2 3.41Å; E480-R536 WeakPolarHBondContact OE2-CB 3.44Å; E480-A540 HydrophobicContact CB-CB 4.38Å; E480-K564 IonicContact OE1-NZ 3.15Å
481V68.3Low55.2Low36 Ų36102.6 Ų102.622%0.21852%0.515CS..G310 helixtrans-83.1-19.9-178.2179.60000112.3G478 A479 E483 V524 L528 A560G478-V481 WeakPolarHBondContact O-CG2 3.13Å; G478-V481 PolarHBondContact O-N 2.94Å; A479-V481 PolarHBondContact O-N 3.29Å; A479-V481 VanDerWaalsContact O-N 3.11Å; V481-E483 PolarHBondContact O-N 2.7Å; V481-V524 HydrophobicContact CG1-CG1 4.43Å; V481-L528 HydrophobicContact CB-CD1 4.28Å; V481-L528 HydrophobicContact CG2-CD1 3.78Å; V481-A560 HydrophobicContact CB-CB 4.15Å; V481-A560 HydrophobicContact CG1-CB 3.69Å; V481-A560 HydrophobicContact CG2-CB 3.65Å
482L67.1Low53.7Low12 Ų12107 Ų1076%0.06354%0.536CS..SBendtrans-76.9106.6172.6-65.7173.5000106.8A479 V484 V543 W547 L549 D553 K556 I557A479-L482 WeakPolarHBondContact O-CB 3.2Å; A479-L482 PolarHBondContact O-N 3.42Å; A479-L482 VanDerWaalsContact O-N 3.16Å; L482-V484 PolarHBondContact O-N 3.43Å; L482-V543 HydrophobicContact CB-CG1 4.13Å; L482-V543 HydrophobicContact CD1-CG1 4.08Å; L482-W547 HydrophobicContact CB-CE3 4.34Å; L482-W547 HydrophobicContact CB-CZ3 3.8Å; L482-W547 HydrophobicContact CD1-CE3 3.95Å; L482-W547 HydrophobicContact CD1-CZ3 3.65Å; L482-W547 HydrophobicContact CD2-CZ3 3.98Å; L482-W547 HydrophobicContact CG-CZ3 3.97Å; L482-L549 HydrophobicContact CD1-CD2 4Å; L482-L549 HydrophobicContact CD1-CG 4.06Å; L482-D553 HydrophobicContact CD1-CB 3.98Å; L482-D553 HydrophobicContact CD2-CB 3.92Å; L482-K556 HydrophobicContact CD2-CB 4.46Å; L482-K556 HydrophobicContact CD2-CD 4.42Å; L482-I557 HydrophobicContact CD1-CD1 3.69Å; L482-I557 HydrophobicContact CD1-CG1 4.09Å; L482-I557 HydrophobicContact CG-CD1 4.32Å; L482-I557 HydrophobicContact CG-CG1 4.16Å
483E58.5Low52.2Low133 Ų133112.1 Ų112.162%0.62155%0.546SS*.  trans-59.2125169.9-70.9-178.2164.500107.5V481 E485V481-E483 PolarHBondContact O-N 2.7Å; E483-E485 PolarHBondContact O-N 2.96Å; E483-E485 VanDerWaalsContact O-N 3.15Å
484V48.5Very low50.4Low97 Ų97114.7 Ų114.759%0.58856%0.564SS**  trans-65.6109.4156.4-178.80000103L482 E486 V543L482-V484 PolarHBondContact O-N 3.43Å; V484-E486 PolarHBondContact O-N 3.31Å; V484-V543 HydrophobicContact CG2-CG2 3.8Å
485E38Very low48.4Very low185 Ų185111 Ų11186%0.86456%0.56SS**  trans-55.896.9161.7-75178.4171.700105.1E483 E487E483-E485 PolarHBondContact O-N 2.96Å; E483-E485 VanDerWaalsContact O-N 3.15Å; E485-E487 PolarHBondContact O-N 3.09Å
486E34.1Very low46.5Very low175 Ų175118.7 Ų118.782%0.81859%0.589SS**  trans-60.3114.6163.1-75.5-166.7166.800104.3V484 N488V484-E486 PolarHBondContact O-N 3.31Å; E486-N488 PolarHBondContact O-N 3.36Å
487E31.6Very low44.2Very low166 Ų166125.5 Ų125.578%0.77662%0.62SS**  trans-39.2113.6174.7-70.7174.2152.300108.9E485 K489E485-E487 PolarHBondContact O-N 3.09Å; E487-K489 PolarHBondContact O-N 3.5Å
488N29.3Very low42.1Very low150 Ų150126.9 Ų126.980%0.80263%0.631SS**  trans-54.594.1164.1-100.8-4000107.4E486 E490E486-N488 PolarHBondContact O-N 3.36Å; N488-E490 PolarHBondContact O-N 3.27Å
489K34.8Very low40.2Very low185 Ų185130.9 Ų130.980%0.80466%0.663SS**  trans-81.974.5157.6-75.5-176.5178.2176.20107.3E487E487-K489 PolarHBondContact O-N 3.5Å
490E29.9Very low37.9Very low168 Ų168136.7 Ų136.779%0.78570%0.704SS**  trans-119.995.9159.5-75.4-171.8169.400107.4N488N488-E490 PolarHBondContact O-N 3.27Å
491E30.5Very low36.1Very low191 Ų191143.1 Ų143.189%0.89374%0.737SS**  trans12.6113.7149.8-63.8171.616800117.5E493E491-E493 PolarHBondContact O-N 3.32Å
492E31Very low34.1Very low200 Ų200147 Ų14794%0.93577%0.766SS**  trans-68.5116.6152.2-74.5179.1155.400109.2
493E29.8Very low32.4Very low192 Ų192154.2 Ų154.290%0.89780%0.804SS**  trans-144116.8148.6-149.8173.5-159.600110.4E491E491-E493 PolarHBondContact O-N 3.32Å
494D30Very low31Very low157 Ų157154.5 Ų154.584%0.8481%0.81SS**  trans-63156.4-179.2-71.4-53.5000114.6
495G27.4Very low30.2Very low68 Ų68156.5 Ų156.570%0.70182%0.818SS**  trans162.661.1156.200000121.1
496W32.9Very low30.2Very low219 Ų219156.6 Ų156.683%0.8382%0.818SS**  trans37.1126.8138-6869.5000122
497E24.4Very low30.2Very low201 Ų201156.1 Ų156.194%0.93982%0.821SS**  -158.6146.5114.1-118.4179.5-165.600112.8
498S26Very low30.4Very low86 Ų86151.4 Ų151.460%0.60182%0.818SS**  trans-103.4150.3-162.6-63.70000113.5
499A27.5Very low30.3Very low97 Ų97153.1 Ų153.180%0.80282%0.821SS**  trans61.3124.313800000121.1
500S24.2Very low30.4Very low122 Ų122156 Ų15685%0.85383%0.827SS**  -168.3139.8121.356.90000113
501I34.3Very low30.5Very low165 Ų165154 Ų15485%0.84683%0.826SS**  trans-74.8140.7175.6-176.3160.8000112.8
502S26.8Very low30.5Very low118 Ų118152.1 Ų152.183%0.82582%0.821SS**  trans-172.6140.8148.654.70000112.7
503D31.4Very low30.6Very low163 Ų163147.8 Ų147.887%0.87281%0.809SS**  trans-53.8164.5-176.3-89.3-40.4000118.9
504D28.6Very low30.4Very low139 Ų139147.7 Ų147.774%0.74381%0.808SS**  trans106.6112.8148.8-98.93.3000121.2
505D31.9Very low30.3Very low140 Ų140148.2 Ų148.275%0.74981%0.805SS**  trans58110.9141.8-69.4-23.6000124.1
506E38.2Very low30.6Very low186 Ų186149 Ų14987%0.86980%0.8SS**  65.191.8125.6-152.1171.5-14200120
507D33.5Very low30.7Very low165 Ų165143.7 Ų143.788%0.88280%0.796SS**  -162.7139.4127.4-130.7-18000112.5E509D507-E509 PolarHBondContact O-N 3.18Å
508G37.2Very low31.5Very low68 Ų68138.4 Ų138.470%0.70177%0.774SS**  trans-74.1112.7-17000000114.8
509E27.2Very low32.1Very low186 Ų186141.7 Ų141.787%0.86978%0.78SS**  trans-79.2125.3171.9-165.3171.6-163.700111.3D507 V511D507-E509 PolarHBondContact O-N 3.18Å; E509-V511 PolarHBondContact O-N 3.42Å
510W36.8Very low32.7Very low246 Ų246142.3 Ų142.393%0.93277%0.77SS**  trans-69.8112.1176.5-79.468.9000109.8D512W510-D512 PolarHBondContact O-N 3.36Å
511V30.4Very low33.5Very low125 Ų125139.1 Ų139.176%0.75875%0.751SS**  trans-64.7113.4168.8-179.20000108.8E509 V513E509-V511 PolarHBondContact O-N 3.42Å; V511-V513 PolarHBondContact O-N 2.69Å; V511-V513 VanDerWaalsContact O-N 3.08Å
512D31.8Very low34Very low151 Ų151133.2 Ų133.281%0.80773%0.73SS**  trans-72.1101.2172.6-153.52.6000108.8W510 H514W510-D512 PolarHBondContact O-N 3.36Å; D512-H514 PolarHBondContact O-N 3.14Å; D512-H514 VanDerWaalsContact O-N 3.12Å
513V32.2Very low34.9Very low110 Ų110133.2 Ų133.267%0.66772%0.717SS**  trans-74.4103.5178.6-176.20000107.3V511 H515V511-V513 PolarHBondContact O-N 2.69Å; V511-V513 VanDerWaalsContact O-N 3.08Å; V513-H515 PolarHBondContact O-N 3.38Å
514H25.3Very low35.8Very low189 Ų189126.8 Ų126.888%0.87568%0.684SS**  trans-40.3109.7172.8-107.3-90.1000110.9D512 S516D512-H514 PolarHBondContact O-N 3.14Å; D512-H514 VanDerWaalsContact O-N 3.12Å; H514-S516 PolarHBondContact O-N 2.94Å
515H27.3Very low36.8Very low169 Ų169121.8 Ų121.878%0.78266%0.662SS**  trans-69115.7176.2-96.1-55.6000109.4V513V513-H515 PolarHBondContact O-N 3.38Å
516S33.9Very low37.9Very low85 Ų85122.1 Ų122.159%0.59466%0.659SS**  trans27.7111.6150.9-175.50000117.1H514 D518 E519H514-S516 PolarHBondContact O-N 2.94Å; S516-D518 PolarHBondContact O-N 3.08Å; S516-E519 PolarHBondContact O-N 3.38Å
517S36.3Very low38.8Very low107 Ų107119.5 Ų119.575%0.74865%0.645SS**THydrogen-bonded Turntrans-39.27.5166.4172.60000119
518D41.1Very low39.7Very low89 Ų89112.6 Ų112.648%0.47661%0.608SS.*THydrogen-bonded Turntrans-98.9-13-178.8-155.646000112.7K249 S516K249-D518 IonicContact NZ-OD2 3.25Å; K249-D518 PolarHBondContact NZ-OD2 2.94Å; S516-D518 PolarHBondContact O-N 3.08Å
519E37.5Very low40.5Very low155 Ų155114.6 Ų114.672%0.72460%0.599SS**SBendtrans-79-39.4173.2-67.2-161.5162.600112.1S516 A521 G522S516-E519 PolarHBondContact O-N 3.38Å; E519-A521 VanDerWaalsContact C-N 3.31Å; E519-A521 PolarHBondContact O-N 3.28Å; E519-G522 PolarHBondContact O-N 3.2Å; E519-G522 VanDerWaalsContact O-N 3.11Å
520D40.3Very low41.9Very low110 Ų110110.4 Ų110.459%0.58859%0.59SS**Hα-helixtrans-60-37.7174.8-68.7-46.5000112.9G522 E523 V524D520-G522 PolarHBondContact O-N 3.31Å; D520-E523 PolarHBondContact O-N 3.07Å; D520-V524 VanDerWaalsContact O-CG2 3.28Å; D520-V524 WeakPolarHBondContact O-CG2 3.18Å; D520-V524 PolarHBondContact O-N 2.96Å; D520-V524 VanDerWaalsContact O-N 3.07Å
521A41.6Very low43.1Very low56 Ų56100.2 Ų100.246%0.46355%0.553SS.*Hα-helixtrans-66.4-24.1179.200000113.3E519 A525E519-A521 VanDerWaalsContact C-N 3.31Å; E519-A521 PolarHBondContact O-N 3.28Å; A521-A525 WeakPolarHBondContact O-CB 3.5Å; A521-A525 PolarHBondContact O-N 3.45Å
522G43.8Very low45Very low40 Ų4097.6 Ų97.641%0.41254%0.539SS..Hα-helixtrans-73.7-43.1175.500000112.3E519 D520 A525 E526E519-G522 PolarHBondContact O-N 3.2Å; E519-G522 VanDerWaalsContact O-N 3.11Å; D520-G522 PolarHBondContact O-N 3.31Å; G522-A525 PolarHBondContact O-N 3.12Å; G522-E526 PolarHBondContact O-N 3.09Å; G522-E526 VanDerWaalsContact O-N 3.15Å
523E46.1Very low46.5Very low118 Ų11892.5 Ų92.555%0.55152%0.518SS*.Hα-helixtrans-68.6-41.5177.7-65.9-163.4163.700112D520 A525 E526 K527D520-E523 PolarHBondContact O-N 3.07Å; E523-A525 VanDerWaalsContact C-N 3.3Å; E523-A525 PolarHBondContact O-N 2.95Å; E523-E526 PolarHBondContact O-N 3.19Å; E523-K527 WeakPolarHBondContact O-CG 3.48Å; E523-K527 PolarHBondContact O-N 3.43Å
524V49.8Very low48.1Very low28 Ų2894.9 Ų94.917%0.1752%0.522CS..Hα-helixtrans-61.5-39.9175.3177.20000110.8V481 D520 E526 K527 L528V481-V524 HydrophobicContact CG1-CG1 4.43Å; D520-V524 VanDerWaalsContact O-CG2 3.28Å; D520-V524 WeakPolarHBondContact O-CG2 3.18Å; D520-V524 PolarHBondContact O-N 2.96Å; D520-V524 VanDerWaalsContact O-N 3.07Å; V524-E526 PolarHBondContact O-N 3.37Å; V524-K527 PolarHBondContact O-N 3.3Å; V524-L528 HydrophobicContact CG1-CD1 3.81Å; V524-L528 HydrophobicContact CG1-CG 4.38Å; V524-L528 WeakPolarHBondContact O-CB 3.48Å; V524-L528 WeakPolarHBondContact O-CD1 3.23Å; V524-L528 WeakPolarHBondContact O-CG 3.29Å; V524-L528 PolarHBondContact O-N 3.44Å
525A50.7Low50.3Low34 Ų3490.8 Ų90.828%0.28150%0.503SS..Hα-helixtrans-69.5-28.2177.100000114A521 G522 E523 Q529A521-A525 WeakPolarHBondContact O-CB 3.5Å; A521-A525 PolarHBondContact O-N 3.45Å; G522-A525 PolarHBondContact O-N 3.12Å; E523-A525 VanDerWaalsContact C-N 3.3Å; E523-A525 PolarHBondContact O-N 2.95Å; A525-Q529 WeakPolarHBondContact O-CB 3.23Å; A525-Q529 VanDerWaalsContact O-CG 3.3Å; A525-Q529 WeakPolarHBondContact O-CG 3.42Å; A525-Q529 PolarHBondContact O-N 3.41Å; A525-Q529 PolarHBondContact O-NE2 3.33Å; A525-Q529 VanDerWaalsContact O-NE2 3.08Å
526E54.9Low52.3Low147 Ų14783.3 Ų83.369%0.68747%0.468SS*.Hα-helixtrans-77.8-41.6172.8-77.4-167.9164.700111.8G522 E523 V524 Q529 S530G522-E526 PolarHBondContact O-N 3.09Å; G522-E526 VanDerWaalsContact O-N 3.15Å; E523-E526 PolarHBondContact O-N 3.19Å; V524-E526 PolarHBondContact O-N 3.37Å; E526-Q529 WeakPolarHBondContact O-CB 3.45Å; E526-Q529 PolarHBondContact O-N 3.13Å; E526-S530 PolarHBondContact O-N 3.43Å
527K56Low54.1Low131 Ų13183.2 Ų83.257%0.5746%0.457SS*.Hα-helixtrans-60-45.5172.9-73.5177.2-176.9171.70111.2E523 V524 Q529 S530E523-K527 WeakPolarHBondContact O-CG 3.48Å; E523-K527 PolarHBondContact O-N 3.43Å; V524-K527 PolarHBondContact O-N 3.3Å; K527-Q529 VanDerWaalsContact C-N 3.32Å; K527-Q529 PolarHBondContact O-N 3.43Å; K527-S530 WeakPolarHBondContact O-CB 3.39Å; K527-S530 PolarHBondContact O-N 2.74Å; K527-S530 VanDerWaalsContact O-N 3.16Å; K527-S530 PolarHBondContact O-OG 3.34Å
528L53.3Low56Low20 Ų2083.1 Ų83.111%0.10545%0.452CS..Hα-helixtrans-63.5-36.4176.1-70.8166.2000112.3E480 V481 V524 S530 I531 R536E480-L528 HydrophobicContact CB-CD2 4.49Å; E480-L528 HydrophobicContact CG-CD1 4.48Å; E480-L528 WeakPolarHBondContact O-CD2 3.41Å; V481-L528 HydrophobicContact CB-CD1 4.28Å; V481-L528 HydrophobicContact CG2-CD1 3.78Å; V524-L528 HydrophobicContact CG1-CD1 3.81Å; V524-L528 HydrophobicContact CG1-CG 4.38Å; V524-L528 WeakPolarHBondContact O-CB 3.48Å; V524-L528 WeakPolarHBondContact O-CD1 3.23Å; V524-L528 WeakPolarHBondContact O-CG 3.29Å; V524-L528 PolarHBondContact O-N 3.44Å; L528-S530 PolarHBondContact O-N 3.02Å; L528-S530 VanDerWaalsContact O-N 3.17Å; L528-I531 HydrophobicContact CD2-CD1 4.12Å; L528-I531 PolarHBondContact O-N 2.88Å; L528-I531 VanDerWaalsContact O-N 3.08Å; L528-R536 PolarHBondContact O-NE 3.29Å; L528-R536 PolarHBondContact O-NH2 3.38Å
529Q53.5Low57.7Low111 Ų11184 Ų8452%0.51945%0.451SS..Hα-helixtrans-60.7-22.7176.4-88.2170.761.900113.9A525 E526 K527 R536A525-Q529 WeakPolarHBondContact O-CB 3.23Å; A525-Q529 VanDerWaalsContact O-CG 3.3Å; A525-Q529 WeakPolarHBondContact O-CG 3.42Å; A525-Q529 PolarHBondContact O-N 3.41Å; A525-Q529 PolarHBondContact O-NE2 3.33Å; A525-Q529 VanDerWaalsContact O-NE2 3.08Å; E526-Q529 WeakPolarHBondContact O-CB 3.45Å; E526-Q529 PolarHBondContact O-N 3.13Å; K527-Q529 VanDerWaalsContact C-N 3.32Å; K527-Q529 PolarHBondContact O-N 3.43Å; Q529-R536 PolarHBondContact O-NH2 2.93Å
530S57.2Low59.4Low97 Ų9776.6 Ų76.668%0.67842%0.417SS*.Hα-helixtrans-81.1-17.6177750000114.2E526 K527 L528E526-S530 PolarHBondContact O-N 3.43Å; K527-S530 WeakPolarHBondContact O-CB 3.39Å; K527-S530 PolarHBondContact O-N 2.74Å; K527-S530 VanDerWaalsContact O-N 3.16Å; K527-S530 PolarHBondContact O-OG 3.34Å; L528-S530 PolarHBondContact O-N 3.02Å; L528-S530 VanDerWaalsContact O-N 3.17Å
531I62.1Low61.3Low32 Ų3273.1 Ų73.116%0.16440%0.403CS..SBendtrans-84.8137.4-177.8-56.5175.9000110.1L528 E535 R536L528-I531 HydrophobicContact CD2-CD1 4.12Å; L528-I531 PolarHBondContact O-N 2.88Å; L528-I531 VanDerWaalsContact O-N 3.08Å; I531-E535 HydrophobicContact CG2-CB 3.65Å; I531-E535 WeakPolarHBondContact CG2-OE2 3.35Å; I531-R536 HydrophobicContact CB-CG 4.21Å; I531-R536 HydrophobicContact CG2-CG 4.03Å; I531-R536 VanDerWaalsContact O-CZ 3.28Å; I531-R536 PolarHBondContact O-NE 2.91Å; I531-R536 PolarHBondContact O-NH2 3.21Å
532P69.4Low63.1Low70 Ų7073 Ų7346%0.45540%0.402SS..  trans-53.9144.8172.8-24.733.1000113.5E534 E535 R536P532-E534 PolarHBondContact O-N 3.22Å; P532-E535 HydrophobicContact CB-CG 4.43Å; P532-E535 WeakPolarHBondContact CD-OE2 3.15Å; P532-E535 PolarHBondContact O-N 3.25Å; P532-R536 PolarHBondContact O-N 3.29Å; P532-R536 VanDerWaalsContact O-N 3.16Å
533A63.4Low64.7Low45 Ų4571.3 Ų71.337%0.37238%0.384SS..Hα-helixtrans-62-25.6-176.500000114K537A533-K537 WeakPolarHBondContact O-CG 3.47Å; A533-K537 PolarHBondContact O-N 3.39Å
534E67.4Low66.1Low160 Ų16067.2 Ų67.275%0.74837%0.368SS*.Hα-helixtrans-74.6-43.2176.7-66.3-177.9171.700111.6P532 R536 K537 V538P532-E534 PolarHBondContact O-N 3.22Å; E534-R536 VanDerWaalsContact C-N 3.29Å; E534-R536 PolarHBondContact O-N 3.38Å; E534-K537 WeakPolarHBondContact O-CB 3.42Å; E534-K537 PolarHBondContact O-N 3.4Å; E534-K537 VanDerWaalsContact O-N 3.16Å; E534-V538 WeakPolarHBondContact O-CG2 3.33Å; E534-V538 PolarHBondContact O-N 3.03Å; E534-V538 VanDerWaalsContact O-N 3.12Å
535E70.3Confident67.4Low103 Ų10369.2 Ų69.248%0.48140%0.395SS..Hα-helixtrans-64.1-34.8175.6-70.7177.7-163.900112.2I531 P532 K537 V538 K539I531-E535 HydrophobicContact CG2-CB 3.65Å; I531-E535 WeakPolarHBondContact CG2-OE2 3.35Å; P532-E535 HydrophobicContact CB-CG 4.43Å; P532-E535 WeakPolarHBondContact CD-OE2 3.15Å; P532-E535 PolarHBondContact O-N 3.25Å; E535-K537 PolarHBondContact O-N 3.4Å; E535-V538 PolarHBondContact O-N 3.05Å; E535-K539 WeakPolarHBondContact O-CG 3.5Å; E535-K539 PolarHBondContact O-N 2.8Å
536R68.9Low68.6Low12 Ų1272.3 Ų72.35%0.04541%0.414CS..Hα-helixtrans-62.3-40.5173.5-70-171.4-154.6162.410.2112.8E457 E480 L528 Q529 I531 P532 E534 K539 A540E457-R536 IonicContact OE1-CZ 3.7Å; E457-R536 IonicContact OE1-NH1 3.4Å; E457-R536 PolarHBondContact OE1-NH1 2.97Å; E457-R536 IonicContact OE1-NH2 3.66Å; E457-R536 PolarHBondContact OE1-NH2 3.43Å; E457-R536 IonicContact OE2-NH1 3.43Å; E457-R536 PolarHBondContact OE2-NH1 3.34Å; E480-R536 WeakPolarHBondContact OE2-CB 3.44Å; L528-R536 PolarHBondContact O-NE 3.29Å; L528-R536 PolarHBondContact O-NH2 3.38Å; Q529-R536 PolarHBondContact O-NH2 2.93Å; I531-R536 HydrophobicContact CB-CG 4.21Å; I531-R536 HydrophobicContact CG2-CG 4.03Å; I531-R536 VanDerWaalsContact O-CZ 3.28Å; I531-R536 PolarHBondContact O-NE 2.91Å; I531-R536 PolarHBondContact O-NH2 3.21Å; P532-R536 PolarHBondContact O-N 3.29Å; P532-R536 VanDerWaalsContact O-N 3.16Å; E534-R536 VanDerWaalsContact C-N 3.29Å; E534-R536 PolarHBondContact O-N 3.38Å; R536-K539 PolarHBondContact O-N 3.14Å; R536-A540 WeakPolarHBondContact O-CB 3.47Å; R536-A540 PolarHBondContact O-N 2.91Å
537K72.3Confident69.5Low82 Ų8270.9 Ų70.936%0.35740%0.403SS..Hα-helixtrans-65.9-40.6176.6-70.6177.3-178-177.20111.6Y475 A533 E534 E535 A540 A541Y475-K537 HydrophobicContact CE1-CG 4.39Å; Y475-K537 HydrophobicContact CE2-CG 4.4Å; A533-K537 WeakPolarHBondContact O-CG 3.47Å; A533-K537 PolarHBondContact O-N 3.39Å; E534-K537 WeakPolarHBondContact O-CB 3.42Å; E534-K537 PolarHBondContact O-N 3.4Å; E534-K537 VanDerWaalsContact O-N 3.16Å; E535-K537 PolarHBondContact O-N 3.4Å; K537-A540 PolarHBondContact O-N 2.93Å; K537-A541 WeakPolarHBondContact O-CB 3.34Å; K537-A541 PolarHBondContact O-N 2.83Å
538V76.9Confident70.5Confident105 Ų10572.3 Ų72.364%0.63642%0.415SS*.Hα-helixtrans-63.9-44.2176.2177.10000110.7E534 E535 A541 A542E534-V538 WeakPolarHBondContact O-CG2 3.33Å; E534-V538 PolarHBondContact O-N 3.03Å; E534-V538 VanDerWaalsContact O-N 3.12Å; E535-V538 PolarHBondContact O-N 3.05Å; V538-A541 PolarHBondContact O-N 2.76Å; V538-A542 WeakPolarHBondContact O-CB 3.11Å; V538-A542 PolarHBondContact O-N 3.26Å
539K76Confident71.8Confident107 Ų10772.9 Ų72.947%0.46542%0.418SS..Hα-helixtrans-62.1-44.4174.5-71.9-177.7179.4-1670112.3E535 R536 A541 A542 V543E535-K539 WeakPolarHBondContact O-CG 3.5Å; E535-K539 PolarHBondContact O-N 2.8Å; R536-K539 PolarHBondContact O-N 3.14Å; K539-A541 VanDerWaalsContact C-N 3.33Å; K539-A541 PolarHBondContact O-N 3.07Å; K539-A542 PolarHBondContact O-N 3.34Å; K539-V543 WeakPolarHBondContact O-CG2 3.34Å; K539-V543 PolarHBondContact O-N 3.43Å
540A74.2Confident73.2Confident0 Ų071.1 Ų71.10%042%0.415CS..Hα-helixtrans-63.3-37.6176.600000112.5Y475 A479 E480 R536 K537 S544Y475-A540 HydrophobicContact CD2-CB 3.81Å; Y475-A540 HydrophobicContact CG-CB 4.35Å; A479-A540 HydrophobicContact CB-CB 4.22Å; E480-A540 HydrophobicContact CB-CB 4.38Å; R536-A540 WeakPolarHBondContact O-CB 3.47Å; R536-A540 PolarHBondContact O-N 2.91Å; K537-A540 PolarHBondContact O-N 2.93Å; A540-S544 VanDerWaalsContact O-CB 3.28Å; A540-S544 WeakPolarHBondContact O-CB 3.21Å; A540-S544 PolarHBondContact O-N 3.07Å; A540-S544 PolarHBondContact O-OG 2.74Å
541A79.6Confident74.3Confident37 Ų3772.6 Ų72.631%0.30641%0.412SS..Hα-helixtrans-68.4-42.7175.600000111.8K537 V538 K539 S544 G545K537-A541 WeakPolarHBondContact O-CB 3.34Å; K537-A541 PolarHBondContact O-N 2.83Å; V538-A541 PolarHBondContact O-N 2.76Å; K539-A541 VanDerWaalsContact C-N 3.33Å; K539-A541 PolarHBondContact O-N 3.07Å; A541-S544 PolarHBondContact O-N 3.35Å; A541-G545 PolarHBondContact O-N 2.59Å
542A78.9Confident75.1Confident53 Ų5375.3 Ų75.344%0.43843%0.427SS..Hα-helixtrans-59.3-51.1175.200000111.2V538 K539 S544 G545 S546V538-A542 WeakPolarHBondContact O-CB 3.11Å; V538-A542 PolarHBondContact O-N 3.26Å; K539-A542 PolarHBondContact O-N 3.34Å; A542-S544 VanDerWaalsContact C-N 3.33Å; A542-S544 PolarHBondContact O-N 3.35Å; A542-G545 PolarHBondContact O-N 3Å; A542-G545 VanDerWaalsContact O-N 3.17Å; A542-S546 WeakPolarHBondContact O-CB 3.3Å; A542-S546 PolarHBondContact O-N 3.26Å; A542-S546 PolarHBondContact O-OG 3.34Å
543V77.3Confident75.6Confident5 Ų572.4 Ų72.43%0.0341%0.407CS..Hα-helixtrans-61.5-40.3178173.60000111.9A479 L482 V484 K539 G545 W547A479-V543 HydrophobicContact CB-CB 4.46Å; A479-V543 HydrophobicContact CB-CG1 4.24Å; L482-V543 HydrophobicContact CB-CG1 4.13Å; L482-V543 HydrophobicContact CD1-CG1 4.08Å; V484-V543 HydrophobicContact CG2-CG2 3.8Å; K539-V543 WeakPolarHBondContact O-CG2 3.34Å; K539-V543 PolarHBondContact O-N 3.43Å; V543-G545 VanDerWaalsContact C-N 3.29Å; V543-G545 PolarHBondContact O-N 3.05Å; V543-W547 HydrophobicContact CG1-CE3 4.1Å; V543-W547 WeakPolarHBondContact O-CB 3.44Å; V543-W547 PolarHBondContact O-N 3.1Å; V543-W547 VanDerWaalsContact O-N 3.1Å
544S76.8Confident76.3Confident32 Ų3273.5 Ų73.522%0.22440%0.404CS..Hα-helixtrans-70.1-27.2179.1-560000112.8I476 A540 A541 A542I476-S544 PolarHBondContact N-OG 3.3Å; A540-S544 VanDerWaalsContact O-CB 3.28Å; A540-S544 WeakPolarHBondContact O-CB 3.21Å; A540-S544 PolarHBondContact O-N 3.07Å; A540-S544 PolarHBondContact O-OG 2.74Å; A541-S544 PolarHBondContact O-N 3.35Å; A542-S544 VanDerWaalsContact C-N 3.33Å; A542-S544 PolarHBondContact O-N 3.35Å
545G77.1Confident76.8Confident71 Ų7171 Ų7173%0.73239%0.39SS*.Hα-helixtrans-91.3-29179.500000114.4A541 A542 V543A541-G545 PolarHBondContact O-N 2.59Å; A542-G545 PolarHBondContact O-N 3Å; A542-G545 VanDerWaalsContact O-N 3.17Å; V543-G545 VanDerWaalsContact C-N 3.29Å; V543-G545 PolarHBondContact O-N 3.05Å
546S76.3Confident77.2Confident98 Ų9871.8 Ų71.869%0.68539%0.392SS*.Hα-helixtrans-97.3-25.6-176.266.60000114.1A542A542-S546 WeakPolarHBondContact O-CB 3.3Å; A542-S546 PolarHBondContact O-N 3.26Å; A542-S546 PolarHBondContact O-OG 3.34Å
547W73.4Confident77.7Confident118 Ų11871.5 Ų71.545%0.44739%0.392SS..  trans-116.5138.4-169.6-162.527.8000113.9L482 V543 L549L482-W547 HydrophobicContact CB-CE3 4.34Å; L482-W547 HydrophobicContact CB-CZ3 3.8Å; L482-W547 HydrophobicContact CD1-CE3 3.95Å; L482-W547 HydrophobicContact CD1-CZ3 3.65Å; L482-W547 HydrophobicContact CD2-CZ3 3.98Å; L482-W547 HydrophobicContact CG-CZ3 3.97Å; V543-W547 HydrophobicContact CG1-CE3 4.1Å; V543-W547 WeakPolarHBondContact O-CB 3.44Å; V543-W547 PolarHBondContact O-N 3.1Å; V543-W547 VanDerWaalsContact O-N 3.1Å; W547-L549 HydrophobicContact CB-CD1 4.45Å; W547-L549 WeakPolarHBondContact O-CD1 3.33Å; W547-L549 PolarHBondContact O-N 2.74Å
548L76.1Confident77.8Confident160 Ų16072 Ų7284%0.83839%0.391SS*.  trans-85.599.5170.7-72.4167.9000109.6
549L80.9Confident77.6Confident32 Ų3271.9 Ų71.917%0.16839%0.386CS..  trans-68131.6-176.6-82.370.8000112.7I476 L482 W547 D553 F554 I557I476-L549 HydrophobicContact CD1-CD2 3.81Å; L482-L549 HydrophobicContact CD1-CD2 4Å; L482-L549 HydrophobicContact CD1-CG 4.06Å; W547-L549 HydrophobicContact CB-CD1 4.45Å; W547-L549 WeakPolarHBondContact O-CD1 3.33Å; W547-L549 PolarHBondContact O-N 2.74Å; L549-D553 HydrophobicContact CB-CB 4.38Å; L549-D553 HydrophobicContact CG-CB 4.32Å; L549-F554 HydrophobicContact CB-CD2 4.34Å; L549-F554 HydrophobicContact CB-CE1 4.48Å; L549-F554 HydrophobicContact CB-CE2 3.69Å; L549-F554 HydrophobicContact CB-CZ 3.78Å; L549-F554 HydrophobicContact CD2-CD1 4.34Å; L549-F554 HydrophobicContact CD2-CE1 3.88Å; L549-F554 HydrophobicContact CD2-CZ 3.98Å; L549-I557 HydrophobicContact CD2-CD1 3.55Å
550T83.4Confident77.6Confident74 Ų7468 Ų6845%0.45437%0.374SS..  trans-87.9167.6173.471.20000112.3D552 D553 F554T550-D552 PolarHBondContact O-N 2.88Å; T550-D552 VanDerWaalsContact O-N 3.16Å; T550-D553 WeakPolarHBondContact CB-OD2 3.49Å; T550-D553 PolarHBondContact N-OD2 3.31Å; T550-D553 WeakPolarHBondContact O-CB 3.31Å; T550-D553 PolarHBondContact O-N 3.17Å; T550-D553 VanDerWaalsContact O-N 3.12Å; T550-D553 VanDerWaalsContact OG1-CG 3.29Å; T550-D553 PolarHBondContact OG1-OD2 3.06Å; T550-F554 WeakPolarHBondContact O-CD2 3.36Å; T550-F554 PolarHBondContact O-N 2.8Å; T550-F554 VanDerWaalsContact O-N 3.16Å
551Q80.4Confident77.6Confident129 Ų12970.7 Ų70.760%0.60339%0.387SS*.Hα-helixtrans-60.2-26178.4-168.371.9-20.500112.9K555Q551-K555 WeakPolarHBondContact O-CG 3.3Å; Q551-K555 PolarHBondContact O-N 2.72Å
552D78.2Confident77.1Confident89 Ų8970.6 Ų70.648%0.47638%0.381SS..Hα-helixtrans-80-32.9177.3-70.2-27.6000112.2T550 F554 K555 K556T550-D552 PolarHBondContact O-N 2.88Å; T550-D552 VanDerWaalsContact O-N 3.16Å; D552-F554 VanDerWaalsContact C-N 3.35Å; D552-F554 PolarHBondContact O-N 3.01Å; D552-K555 WeakPolarHBondContact O-CA 3.36Å; D552-K555 WeakPolarHBondContact O-CB 3.48Å; D552-K555 PolarHBondContact O-N 3.37Å; D552-K555 WeakPolarHBondContact OD1-CE 3.31Å; D552-K555 IonicContact OD1-NZ 3.44Å; D552-K555 PolarHBondContact OD1-NZ 2.73Å; D552-K556 PolarHBondContact O-N 3.25Å
553D80.7Confident76.6Confident9 Ų970 Ų705%0.04838%0.376CS..Hα-helixtrans-64.4-41.8172-56.3-41.6000110.9L482 L549 T550 K555 K556 I557L482-D553 HydrophobicContact CD1-CB 3.98Å; L482-D553 HydrophobicContact CD2-CB 3.92Å; L549-D553 HydrophobicContact CB-CB 4.38Å; L549-D553 HydrophobicContact CG-CB 4.32Å; T550-D553 WeakPolarHBondContact CB-OD2 3.49Å; T550-D553 PolarHBondContact N-OD2 3.31Å; T550-D553 WeakPolarHBondContact O-CB 3.31Å; T550-D553 PolarHBondContact O-N 3.17Å; T550-D553 VanDerWaalsContact O-N 3.12Å; T550-D553 VanDerWaalsContact OG1-CG 3.29Å; T550-D553 PolarHBondContact OG1-OD2 3.06Å; D553-K555 PolarHBondContact O-N 2.92Å; D553-K556 PolarHBondContact O-N 2.87Å; D553-K556 VanDerWaalsContact O-N 3.16Å; D553-I557 WeakPolarHBondContact O-CG1 3.31Å; D553-I557 PolarHBondContact O-N 3.46Å
554F78.3Confident76.3Confident68 Ų6873.6 Ų73.630%0.29839%0.391SS..Hα-helixtrans-63.1-27.4171.3-72.6-66.4000113.2I476 L549 T550 D552 R558I476-F554 HydrophobicContact CD1-CE1 4.16Å; I476-F554 HydrophobicContact CD1-CZ 4.47Å; L549-F554 HydrophobicContact CB-CD2 4.34Å; L549-F554 HydrophobicContact CB-CE1 4.48Å; L549-F554 HydrophobicContact CB-CE2 3.69Å; L549-F554 HydrophobicContact CB-CZ 3.78Å; L549-F554 HydrophobicContact CD2-CD1 4.34Å; L549-F554 HydrophobicContact CD2-CE1 3.88Å; L549-F554 HydrophobicContact CD2-CZ 3.98Å; T550-F554 WeakPolarHBondContact O-CD2 3.36Å; T550-F554 PolarHBondContact O-N 2.8Å; T550-F554 VanDerWaalsContact O-N 3.16Å; D552-F554 VanDerWaalsContact C-N 3.35Å; D552-F554 PolarHBondContact O-N 3.01Å; F554-R558 WeakPolarHBondContact O-CB 3.3Å; F554-R558 VanDerWaalsContact O-CD 3.25Å; F554-R558 WeakPolarHBondContact O-CD 3.35Å; F554-R558 WeakPolarHBondContact O-CG 3.29Å; F554-R558 PolarHBondContact O-N 3.37Å
555K77.2Confident75.9Confident106 Ų10675.3 Ų75.346%0.46140%0.395SS..Hα-helixtrans-73.3-44.5172.1-70.3170.7-165.11600110.6Q551 D552 D553 R558 L559Q551-K555 WeakPolarHBondContact O-CG 3.3Å; Q551-K555 PolarHBondContact O-N 2.72Å; D552-K555 WeakPolarHBondContact O-CA 3.36Å; D552-K555 WeakPolarHBondContact O-CB 3.48Å; D552-K555 PolarHBondContact O-N 3.37Å; D552-K555 WeakPolarHBondContact OD1-CE 3.31Å; D552-K555 IonicContact OD1-NZ 3.44Å; D552-K555 PolarHBondContact OD1-NZ 2.73Å; D553-K555 PolarHBondContact O-N 2.92Å; K555-R558 PolarHBondContact O-N 3.43Å; K555-L559 WeakPolarHBondContact O-CG 3.24Å; K555-L559 PolarHBondContact O-N 3.12Å
556K77.8Confident75.4Confident121 Ų12173.4 Ų73.453%0.52637%0.369SS..Hα-helixtrans-59.6-49.3177.1-71178.5-178.9176.80111.8L482 D552 D553 R558 L559 A560L482-K556 HydrophobicContact CD2-CB 4.46Å; L482-K556 HydrophobicContact CD2-CD 4.42Å; D552-K556 PolarHBondContact O-N 3.25Å; D553-K556 PolarHBondContact O-N 2.87Å; D553-K556 VanDerWaalsContact O-N 3.16Å; K556-R558 VanDerWaalsContact C-N 3.3Å; K556-R558 PolarHBondContact O-N 2.97Å; K556-L559 PolarHBondContact O-N 3.46Å; K556-L559 VanDerWaalsContact O-N 3.15Å; K556-A560 PolarHBondContact O-N 3.36Å
557I79.8Confident74.8Confident6 Ų673.9 Ų73.93%0.03136%0.364CS..Hα-helixtrans-55.6-45.7175.7-68.2163.1000110.8I476 P477 A479 L482 L549 D553 A560 Q561I476-I557 HydrophobicContact CG2-CD1 4.47Å; P477-I557 WeakPolarHBondContact O-CG2 3.49Å; A479-I557 HydrophobicContact CB-CD1 4.47Å; L482-I557 HydrophobicContact CD1-CD1 3.69Å; L482-I557 HydrophobicContact CD1-CG1 4.09Å; L482-I557 HydrophobicContact CG-CD1 4.32Å; L482-I557 HydrophobicContact CG-CG1 4.16Å; L549-I557 HydrophobicContact CD2-CD1 3.55Å; D553-I557 WeakPolarHBondContact O-CG1 3.31Å; D553-I557 PolarHBondContact O-N 3.46Å; I557-A560 PolarHBondContact O-N 2.99Å; I557-Q561 HydrophobicContact CG2-CG 4.44Å; I557-Q561 WeakPolarHBondContact O-CB 3.46Å; I557-Q561 VanDerWaalsContact O-CG 3.29Å; I557-Q561 WeakPolarHBondContact O-CG 3.47Å; I557-Q561 PolarHBondContact O-N 2.91Å
558R74.3Confident74.2Confident91 Ų9170.6 Ų70.634%0.34336%0.362SS..Hα-helixtrans-65.3-42178.9-75.6170.9-174.5158.2-0.1112.4F554 K555 K556 A560 Q561 M562F554-R558 WeakPolarHBondContact O-CB 3.3Å; F554-R558 VanDerWaalsContact O-CD 3.25Å; F554-R558 WeakPolarHBondContact O-CD 3.35Å; F554-R558 WeakPolarHBondContact O-CG 3.29Å; F554-R558 PolarHBondContact O-N 3.37Å; K555-R558 PolarHBondContact O-N 3.43Å; K556-R558 VanDerWaalsContact C-N 3.3Å; K556-R558 PolarHBondContact O-N 2.97Å; R558-A560 VanDerWaalsContact C-N 3.34Å; R558-Q561 PolarHBondContact O-N 3.47Å; R558-M562 WeakPolarHBondContact O-CB 3.4Å; R558-M562 VanDerWaalsContact O-CG 3.25Å; R558-M562 WeakPolarHBondContact O-CG 3.35Å; R558-M562 PolarHBondContact O-N 3.18Å
559L73.5Confident72.8Confident103 Ų10366.2 Ų66.254%0.53935%0.349SS..Hα-helixtrans-62.5-43.6178.1-75.2172.5000110.9K555 K556 M562 A563K555-L559 WeakPolarHBondContact O-CG 3.24Å; K555-L559 PolarHBondContact O-N 3.12Å; K556-L559 PolarHBondContact O-N 3.46Å; K556-L559 VanDerWaalsContact O-N 3.15Å; L559-M562 PolarHBondContact O-N 3.2Å; L559-A563 WeakPolarHBondContact O-CB 3.45Å; L559-A563 PolarHBondContact O-N 3.19Å
560A75.1Confident71Confident26 Ų2668.7 Ų68.722%0.21537%0.367CS..Hα-helixtrans-67.9-41.1178.100000112.7V481 K556 I557 R558 M562 A563 K564V481-A560 HydrophobicContact CB-CB 4.15Å; V481-A560 HydrophobicContact CG1-CB 3.69Å; V481-A560 HydrophobicContact CG2-CB 3.65Å; K556-A560 PolarHBondContact O-N 3.36Å; I557-A560 PolarHBondContact O-N 2.99Å; R558-A560 VanDerWaalsContact C-N 3.34Å; A560-M562 VanDerWaalsContact C-N 3.35Å; A560-M562 PolarHBondContact O-N 3.11Å; A560-A563 PolarHBondContact O-N 3.27Å; A560-K564 VanDerWaalsContact O-CB 3.29Å; A560-K564 WeakPolarHBondContact O-CB 3.4Å; A560-K564 PolarHBondContact O-N 3.41Å
561Q74.4Confident69.1Low57 Ų5766.6 Ų66.627%0.26636%0.36SS..Hα-helixtrans-59.8-44.1171.1-74.5-179.7-0.200111.9P477 I557 R558 K564 E565P477-Q561 PolarHBondContact O-NE2 3.43Å; I557-Q561 HydrophobicContact CG2-CG 4.44Å; I557-Q561 WeakPolarHBondContact O-CB 3.46Å; I557-Q561 VanDerWaalsContact O-CG 3.29Å; I557-Q561 WeakPolarHBondContact O-CG 3.47Å; I557-Q561 PolarHBondContact O-N 2.91Å; R558-Q561 PolarHBondContact O-N 3.47Å; Q561-K564 PolarHBondContact O-N 3.02Å; Q561-E565 WeakPolarHBondContact O-CG 3.46Å; Q561-E565 PolarHBondContact O-N 3.1Å
562M69.3Low67.1Low35 Ų3571 Ų7117%0.17238%0.378CS..Hα-helixtrans-64.2-43176.5-73.7-131.9-69.700111.6V269 L270 H273 R558 L559 A560 K564 E565 V566V269-M562 HydrophobicContact CG1-CB 4.35Å; V269-M562 HydrophobicContact CG1-CG 4.29Å; V269-M562 HydrophobicContact CG1-SD 4.02Å; L270-M562 HydrophobicContact CD1-CE 4.2Å; L270-M562 HydrophobicContact CG-CE 4.5Å; H273-M562 HydrophobicContact CB-SD 3.82Å; H273-M562 PolarHBondContact CD2-SD 3.07Å; R558-M562 WeakPolarHBondContact O-CB 3.4Å; R558-M562 VanDerWaalsContact O-CG 3.25Å; R558-M562 WeakPolarHBondContact O-CG 3.35Å; R558-M562 PolarHBondContact O-N 3.18Å; L559-M562 PolarHBondContact O-N 3.2Å; A560-M562 VanDerWaalsContact C-N 3.35Å; A560-M562 PolarHBondContact O-N 3.11Å; M562-K564 VanDerWaalsContact C-N 3.34Å; M562-K564 PolarHBondContact O-N 3.47Å; M562-E565 PolarHBondContact O-N 3.37Å; M562-V566 WeakPolarHBondContact O-CB 3.5Å; M562-V566 VanDerWaalsContact O-CG2 3.25Å; M562-V566 WeakPolarHBondContact O-CG2 3.47Å; M562-V566 PolarHBondContact O-N 3.33Å
563A69.5Low65.2Low40 Ų4070.3 Ų70.333%0.33139%0.391SS..Hα-helixtrans-61.4-43.5176.400000111.3L559 A560 V566 N567L559-A563 WeakPolarHBondContact O-CB 3.45Å; L559-A563 PolarHBondContact O-N 3.19Å; A560-A563 PolarHBondContact O-N 3.27Å; A563-V566 PolarHBondContact O-N 3.18Å; A563-N567 VanDerWaalsContact O-CB 3.24Å; A563-N567 WeakPolarHBondContact O-CB 3.36Å; A563-N567 VanDerWaalsContact O-CG 3.3Å; A563-N567 PolarHBondContact O-N 3.22Å; A563-N567 PolarHBondContact O-ND2 3.35Å
564K71Confident63.2Low80 Ų8075.7 Ų75.735%0.34842%0.416SS..Hα-helixtrans-60.3-45.6175.9-165.7174.5-175.8178.50111.8E457 E480 A560 Q561 M562 V566 N567 A568E457-K564 WeakPolarHBondContact OE2-CE 3.46Å; E457-K564 IonicContact OE2-NZ 2.93Å; E457-K564 PolarHBondContact OE2-NZ 2.89Å; E480-K564 IonicContact OE1-NZ 3.15Å; A560-K564 VanDerWaalsContact O-CB 3.29Å; A560-K564 WeakPolarHBondContact O-CB 3.4Å; A560-K564 PolarHBondContact O-N 3.41Å; Q561-K564 PolarHBondContact O-N 3.02Å; M562-K564 VanDerWaalsContact C-N 3.34Å; M562-K564 PolarHBondContact O-N 3.47Å; K564-V566 PolarHBondContact O-N 3.33Å; K564-N567 PolarHBondContact O-N 3.25Å; K564-A568 WeakPolarHBondContact O-CB 3.24Å; K564-A568 PolarHBondContact O-N 3.32Å
565E67.8Low61.3Low68 Ų6882 Ų8232%0.31844%0.443SS..Hα-helixtrans-65.5-37.7176.2-73.8-174.4152.700112.9K265 V269 H273 Q561 M562K265-E565 WeakPolarHBondContact CE-O 3.5Å; K265-E565 PolarHBondContact NZ-O 3.44Å; V269-E565 HydrophobicContact CG1-CB 4.06Å; V269-E565 WeakPolarHBondContact CG1-OE2 3.41Å; V269-E565 HydrophobicContact CG2-CB 4.25Å; H273-E565 IonicContact CD2-OE2 2.62Å; H273-E565 IonicContact NE2-OE2 3.64Å; H273-E565 PolarHBondContact NE2-OE2 3.08Å; Q561-E565 WeakPolarHBondContact O-CG 3.46Å; Q561-E565 PolarHBondContact O-N 3.1Å; M562-E565 PolarHBondContact O-N 3.37Å
566V67.2Low59.5Low31 Ų3186.9 Ų86.919%0.18846%0.459CS..Hα-helixtrans-69.3-42.8176.7172.70000111.1K265 A266 V269 M562 A563 K564K265-V566 PolarHBondContact NZ-O 2.72Å; A266-V566 HydrophobicContact CB-CG1 4.24Å; A266-V566 HydrophobicContact CB-CG2 4.16Å; V269-V566 HydrophobicContact CB-CG2 4Å; V269-V566 HydrophobicContact CG1-CG2 4.13Å; V269-V566 HydrophobicContact CG2-CG2 3.97Å; M562-V566 WeakPolarHBondContact O-CB 3.5Å; M562-V566 VanDerWaalsContact O-CG2 3.25Å; M562-V566 WeakPolarHBondContact O-CG2 3.47Å; M562-V566 PolarHBondContact O-N 3.33Å; A563-V566 PolarHBondContact O-N 3.18Å; K564-V566 PolarHBondContact O-N 3.33Å
567N62.9Low57.6Low109 Ų10990.1 Ų90.158%0.58347%0.473SS*.Hα-helixtrans-81.5-18-176.3-70.1-26.4000114.2A563 K564 A569A563-N567 VanDerWaalsContact O-CB 3.24Å; A563-N567 WeakPolarHBondContact O-CB 3.36Å; A563-N567 VanDerWaalsContact O-CG 3.3Å; A563-N567 PolarHBondContact O-N 3.22Å; A563-N567 PolarHBondContact O-ND2 3.35Å; K564-N567 PolarHBondContact O-N 3.25Å; N567-A569 PolarHBondContact O-N 2.91Å
568A60.3Low55.5Low48 Ų4896.1 Ų96.140%0.39750%0.502SS..SBendtrans-54.4100.8169.500000110.5K265 K564K265-A568 PolarHBondContact NZ-O 2.85Å; K564-A568 WeakPolarHBondContact O-CB 3.24Å; K564-A568 PolarHBondContact O-N 3.32Å
569A47.3Very low53.5Low68 Ų6894.8 Ų94.856%0.56251%0.511SS*.PPolyproline II helixtrans-90.1132-161.600000113.4N567 G571N567-A569 PolarHBondContact O-N 2.91Å; A569-G571 PolarHBondContact O-N 3.27Å
570P43.7Very low51.8Low84 Ų8494.8 Ų94.855%0.54551%0.511SS..PPolyproline II helixtrans-72.8122150.629-28000108
571G43.5Very low50Low31 Ų3196.6 Ų96.632%0.3252%0.522SS..PPolyproline II helixtrans-56.9166.7-177.700000114A569 G573 Q574A569-G571 PolarHBondContact O-N 3.27Å; G571-G573 PolarHBondContact O-N 3.38Å; G571-Q574 PolarHBondContact O-N 3.16Å
572K38Very low48.2Very low222 Ų22297.3 Ų97.397%0.96553%0.528SS*.THydrogen-bonded Turntrans-49.4-8.6-178.8-85.1173.8177.1170.50116
573G37.3Very low46.7Very low73 Ų7398.9 Ų98.975%0.75354%0.537SS*.THydrogen-bonded Turntrans-93.1-16.5-176.500000117.6G571 K575G571-G573 PolarHBondContact O-N 3.38Å; G573-K575 PolarHBondContact O-N 3.16Å
574Q39Very low45.5Very low122 Ų122100.5 Ų100.557%0.5754%0.538SS*.  trans-88.278.3-174.6-110177.8-12.800112.6G571 R576G571-Q574 PolarHBondContact O-N 3.16Å; Q574-R576 VanDerWaalsContact C-N 3.28Å
575K37.8Very low44.1Very low200 Ų200100.2 Ų100.287%0.8754%0.538SS*.  trans-78.4-5.4167.7-85.3-176.8179.8173.30113.9G573G573-K575 PolarHBondContact O-N 3.16Å
576R40.1Very low42.9Very low210 Ų210102.5 Ų102.579%0.79255%0.552SS**SBendtrans-83.9132.4173.7-67.8-177.8-175.7168.92.3109Q574 M578Q574-R576 VanDerWaalsContact C-N 3.28Å; R576-M578 PolarHBondContact O-N 2.84Å; R576-M578 VanDerWaalsContact O-N 3.13Å
577K38Very low42Very low189 Ų189106 Ų10682%0.82257%0.565SS**  trans-48.1121.3165.2-74.4179.9172.3-172.90106.8A579K577-A579 PolarHBondContact O-N 2.85Å
578M35.3Very low41.4Very low131 Ų131103.2 Ų103.265%0.64556%0.562SS**  trans-54106.8152.1-88.3173.795.800103.7R576 D580R576-M578 PolarHBondContact O-N 2.84Å; R576-M578 VanDerWaalsContact O-N 3.13Å; M578-D580 PolarHBondContact O-N 3.2Å; M578-D580 VanDerWaalsContact O-N 3.11Å
579A32.6Very low41.3Very low63 Ų63106.3 Ų106.352%0.52157%0.568SS.*  trans-66112.417500000105.5M430 K577M430-A579 HydrophobicContact CE-CB 3.92Å; K577-A579 PolarHBondContact O-N 2.85Å
580D38.4Very low42.1Very low104 Ų104105.6 Ų105.656%0.55655%0.554SS**  trans2990.1168.3-68.8-13.2000115.8M578 D582M578-D580 PolarHBondContact O-N 3.2Å; M578-D580 VanDerWaalsContact O-N 3.11Å; D580-D582 HydrophobicContact CB-CB 4.15Å; D580-D582 PolarHBondContact O-N 3.08Å
581S36.6Very low43.2Very low64 Ų64102.1 Ų102.145%0.44853%0.531SS..  trans-71.82.1148.2-171.20000111.8N583 E584S581-N583 PolarHBondContact O-N 3.31Å; S581-E584 PolarHBondContact O-N 3.42Å
582D37.1Very low44.6Very low72 Ų72103.9 Ų103.939%0.38554%0.536SS..THydrogen-bonded Turntrans-63-2.1-175.9-71.62.6000113.8K268 D580K268-D582 IonicContact NZ-OD1 3.51Å; K268-D582 PolarHBondContact NZ-OD1 3.46Å; D580-D582 HydrophobicContact CB-CB 4.15Å; D580-D582 PolarHBondContact O-N 3.08Å
583N38.3Very low46.5Very low68 Ų6895.9 Ų95.936%0.36450%0.503SS..THydrogen-bonded Turntrans-108.1-5.9-179.1-80.366.7000115.2S581 E585 K598S581-N583 PolarHBondContact O-N 3.31Å; N583-E585 VanDerWaalsContact C-N 3.28Å; N583-K598 PolarHBondContact ND2-NZ 3.16Å; N583-K598 PolarHBondContact OD1-NZ 3.41Å; N583-K598 VanDerWaalsContact OD1-NZ 3.1Å
584E43.5Very low48.5Very low74 Ų74101.6 Ų101.635%0.34650%0.502SS..SBendtrans-82.7-11.1173-70.8-77.8162.500111.7R399 S581 K587R399-E584 IonicContact CZ-OE1 3.31Å; R399-E584 IonicContact NH2-OE1 3.63Å; R399-E584 PolarHBondContact NH2-OE1 3.13Å; S581-E584 PolarHBondContact O-N 3.42Å; E584-K587 WeakPolarHBondContact OE2-CE 3.47Å; E584-K587 IonicContact OE2-NZ 3.36Å; E584-K587 PolarHBondContact OE2-NZ 3.31Å
585E40.9Very low50.2Low74 Ų7497.2 Ų97.235%0.34648%0.482SS..THydrogen-bonded Turntrans-89.7-5.5-169-65.3-177.2-176.200114.6K275 N583K275-E585 PolarHBondContact NZ-O 2.8Å; N583-E585 VanDerWaalsContact C-N 3.28Å
586D42.4Very low52.3Low115 Ų11587.7 Ų87.762%0.61544%0.44SS*.THydrogen-bonded Turntrans-124.841.9177.3-67.9-24.2000111.4K275 G588K275-D586 IonicContact NZ-OD1 3.01Å; K275-D586 PolarHBondContact NZ-OD1 2.83Å; D586-G588 PolarHBondContact O-N 3.46Å
587K48.5Very low54.3Low105 Ų10582 Ų8246%0.45742%0.423SS..  trans-73.483.6163.3-71.9-175179.5170.80108.1E584E584-K587 WeakPolarHBondContact OE2-CE 3.47Å; E584-K587 IonicContact OE2-NZ 3.36Å; E584-K587 PolarHBondContact OE2-NZ 3.31Å
588G51.1Low56.1Low50 Ų5075.7 Ų75.752%0.51540%0.395SS..  trans-59163.7158.500000110.2D586 L590D586-G588 PolarHBondContact O-N 3.46Å; G588-L590 PolarHBondContact O-N 3Å
589E58.2Low57.9Low114 Ų11472 Ų7253%0.53338%0.378SS..SBendtrans-49-30.1178-171.2177.3-163.500112.8H288 I327H288-E589 IonicContact CE1-OE1 2.64Å; H288-E589 PolarHBondContact CE1-OE1 2.74Å; H288-E589 IonicContact NE2-OE1 2.75Å; H288-E589 PolarHBondContact NE2-OE1 3Å; H288-E589 IonicContact NE2-OE2 2.8Å; H288-E589 PolarHBondContact NE2-OE2 3.02Å; I327-E589 HydrophobicContact CG1-CG 4.07Å; I327-E589 WeakPolarHBondContact CG2-OE1 3.34Å
590L64.6Low59.5Low53 Ų5372 Ų7228%0.27737%0.367SS..SBendtrans-108.1139178.7-65.2177.3000113.1R323 I327 G588R323-L590 HydrophobicContact CB-CD2 4.07Å; R323-L590 HydrophobicContact CG-CD1 4.44Å; R323-L590 HydrophobicContact CG-CD2 3.74Å; I327-L590 HydrophobicContact CD1-CD2 3.78Å; I327-L590 HydrophobicContact CD1-CG 4.44Å; I327-L590 HydrophobicContact CG1-CD2 4.12Å; G588-L590 PolarHBondContact O-N 3Å
591L66.5Low60.9Low10 Ų1072.6 Ų72.65%0.05237%0.365CS..  trans-68.1139168.3-69.6175.3000111L355 A358 Q359 E400L355-L591 HydrophobicContact CD1-CB 3.43Å; L355-L591 VanDerWaalsContact CD1-CB 3.43Å; L355-L591 HydrophobicContact CD1-CD1 4.18Å; L355-L591 HydrophobicContact CD1-CG 4.45Å; L355-L591 HydrophobicContact CG-CB 4.45Å; A358-L591 HydrophobicContact CB-CD1 3.49Å; A358-L591 VanDerWaalsContact CB-CD1 3.49Å; Q359-L591 HydrophobicContact CG-CB 3.71Å; Q359-L591 HydrophobicContact CG-CD1 3.83Å; Q359-L591 HydrophobicContact CG-CG 4.02Å; Q359-L591 PolarHBondContact NE2-O 3.23Å; E400-L591 HydrophobicContact CB-CD1 4.4Å; E400-L591 WeakPolarHBondContact OE2-CD2 3.2Å
592T72.8Confident62.1Low69 Ų6978.6 Ų78.642%0.42338%0.383SS..  trans-100.7150.7171.762.50000111.1R594 H595T592-R594 PolarHBondContact O-N 3.46Å; T592-H595 PolarHBondContact O-N 3.15Å; T592-H595 PolarHBondContact OG1-ND1 3.26Å
593L78.5Confident63.3Low54 Ų5479.4 Ų79.428%0.28339%0.392SS..Hα-helixtrans-54.8-28.4176.9-72.1170.1000113K352 L355 H595 I596 E597K352-L593 HydrophobicContact CB-CD2 4.29Å; K352-L593 HydrophobicContact CG-CD1 4.15Å; K352-L593 HydrophobicContact CG-CD2 3.78Å; L355-L593 HydrophobicContact CB-CD2 3.98Å; L355-L593 HydrophobicContact CD2-CD2 3.52Å; L355-L593 HydrophobicContact CD2-CG 3.77Å; L355-L593 HydrophobicContact CG-CD2 4.3Å; L593-H595 PolarHBondContact O-N 2.89Å; L593-I596 PolarHBondContact O-N 3.16Å; L593-I596 VanDerWaalsContact O-N 3.09Å; L593-E597 PolarHBondContact O-N 3.27Å
594R77.4Confident64.6Low192 Ų19285.8 Ų85.873%0.72542%0.416SS*.Hα-helixtrans-60-28.3177.9-62.8-177.2-175.7172.45.5112.9T592 I596 K598T592-R594 PolarHBondContact O-N 3.46Å; R594-I596 VanDerWaalsContact C-N 3.33Å; R594-K598 WeakPolarHBondContact O-CB 3.42Å; R594-K598 PolarHBondContact O-N 2.74Å
595H76.3Confident65.8Low31 Ų3185.4 Ų85.414%0.14442%0.422CS..Hα-helixtrans-70.5-30.7177.8-66.3141.6000112.5E400 T592 L593E400-H595 HydrophobicContact CG-CB 4.49Å; T592-H595 PolarHBondContact O-N 3.15Å; T592-H595 PolarHBondContact OG1-ND1 3.26Å; L593-H595 PolarHBondContact O-N 2.89Å
596I81.9Confident67.6Low0 Ų087.4 Ų87.40%044%0.435CS..Hα-helixtrans-87.5-47-179.3-66.3-178.3000111L354 L355 V393 N396 L593 R594 K598L354-I596 HydrophobicContact CB-CD1 4.19Å; L354-I596 HydrophobicContact CB-CG2 4.4Å; L355-I596 HydrophobicContact CB-CD1 3.69Å; L355-I596 HydrophobicContact CD1-CD1 3.67Å; L355-I596 HydrophobicContact CD1-CG1 4.33Å; L355-I596 HydrophobicContact CG-CD1 4.32Å; L355-I596 VanDerWaalsContact N-CD1 3.26Å; V393-I596 HydrophobicContact CG1-CG2 3.81Å; N396-I596 PolarHBondContact ND2-O 3.29Å; L593-I596 PolarHBondContact O-N 3.16Å; L593-I596 VanDerWaalsContact O-N 3.09Å; R594-I596 VanDerWaalsContact C-N 3.33Å; I596-K598 PolarHBondContact O-N 3.41Å
597E81.9Confident69.3Low91 Ų9189.8 Ų89.843%0.42544%0.44SS..SBendtrans-79.33.7-176.9-64.5-176.917100113.9T351 L593 L599T351-E597 WeakPolarHBondContact CB-OE1 3.44Å; T351-E597 HydrophobicContact CG2-CG 3.76Å; T351-E597 WeakPolarHBondContact CG2-OE1 3.44Å; T351-E597 PolarHBondContact OG1-OE1 2.86Å; L593-E597 PolarHBondContact O-N 3.27Å; E597-L599 PolarHBondContact O-N 3.28Å
598K75.1Confident70.8Confident55 Ų5592.5 Ų92.524%0.23945%0.454CS..  trans-60.5100.8-173.9-167.7173.4177.7174.10112.1N396 N583 R594 I596N396-K598 PolarHBondContact ND2-O 2.65Å; N583-K598 PolarHBondContact ND2-NZ 3.16Å; N583-K598 PolarHBondContact OD1-NZ 3.41Å; N583-K598 VanDerWaalsContact OD1-NZ 3.1Å; R594-K598 WeakPolarHBondContact O-CB 3.42Å; R594-K598 PolarHBondContact O-N 2.74Å; I596-K598 PolarHBondContact O-N 3.41Å
599L72.3Confident72.2Confident55 Ų5593.2 Ų93.229%0.28845%0.449SS..  trans-89.2116.7169.3-59179.8000110.1E389 T392 E597 P603E389-L599 HydrophobicContact CB-CD2 4.4Å; E389-L599 HydrophobicContact CG-CD1 4.36Å; E389-L599 HydrophobicContact CG-CD2 4.2Å; T392-L599 HydrophobicContact CG2-CD2 4.13Å; E597-L599 PolarHBondContact O-N 3.28Å; L599-P603 HydrophobicContact CD1-CG 4.33Å
600H66.7Low73.2Confident63 Ų6395.5 Ų95.529%0.29245%0.453SS..SBendtrans-72.5-26.1179.5-81.3-85.1000114.1N427 M430N427-H600 PolarHBondContact OD1-N 3.3Å; N427-H600 VanDerWaalsContact OD1-N 3.09Å; M430-H600 HydrophobicContact CB-CB 3.99Å; M430-H600 WeakPolarHBondContact CB-CD2 3.34Å; M430-H600 HydrophobicContact CG-CB 3.95Å
601K67.4Low73.9Confident116 Ų11697.7 Ų97.750%0.50446%0.464SS..SBendtrans-101.4114.6173.6-174.8-176.9177.6-173.10106.4N427N427-K601 WeakPolarHBondContact OD1-CA 3.46Å; N427-K601 WeakPolarHBondContact OD1-CB 3.4Å; N427-K601 PolarHBondContact OD1-N 3.39Å
602K62.4Low74.6Confident189 Ų189100.2 Ų100.282%0.82249%0.486SS*.PPolyproline II helixtrans-56.4132.8174.2-66.3-170.4177.3-170.40109.2
603P62.8Low74.9Confident89 Ų89101.7 Ų101.758%0.57850%0.495SS*.PPolyproline II helixtrans-53.2151.2170.9-23.632.5000110.5L599 S605L599-P603 HydrophobicContact CD1-CG 4.33Å; P603-S605 PolarHBondContact O-N 2.98Å; P603-S605 VanDerWaalsContact O-N 3.15Å
604K64.6Low74.9Confident202 Ų202101.4 Ų101.488%0.87850%0.5SS*.PPolyproline II helixtrans-65.2118.1172.5-70.7179.2-179175.30107.3
605S69.7Low74.7Confident67 Ų6797.5 Ų97.547%0.46949%0.492SS..PPolyproline II helixtrans-64.4132.817853.20000111.2P603 T609 R610P603-S605 PolarHBondContact O-N 2.98Å; P603-S605 VanDerWaalsContact O-N 3.15Å; S605-T609 WeakPolarHBondContact CB-OG1 3.28Å; S605-R610 WeakPolarHBondContact O-CD 3.22Å; S605-R610 WeakPolarHBondContact OG-CD 3.35Å; S605-R610 WeakPolarHBondContact OG-CG 3.31Å
606D78.6Confident74.7Confident116 Ų11698.8 Ų98.862%0.6251%0.507SS*.PPolyproline II helixtrans-55.4160172.1-62.4-43.3000112.8E608 T609 R610D606-E608 PolarHBondContact O-N 3.1Å; D606-T609 PolarHBondContact N-OG1 3.34Å; D606-T609 VanDerWaalsContact N-OG1 3.13Å; D606-T609 PolarHBondContact O-N 3.08Å; D606-T609 PolarHBondContact O-OG1 3.04Å; D606-R610 VanDerWaalsContact O-CG 3.29Å; D606-R610 WeakPolarHBondContact O-CG 3.4Å; D606-R610 PolarHBondContact O-N 3Å
607K79Confident74.2Confident165 Ų165101 Ų10172%0.71753%0.531SS*.Hα-helixtrans-57.2-38.5179.6-172.6-179.3176.2-173.60111.7L611K607-L611 HydrophobicContact CG-CD1 4.32Å; K607-L611 WeakPolarHBondContact O-CG 3.08Å; K607-L611 PolarHBondContact O-N 3.34Å
608E79.4Confident73.5Confident161 Ų161104.2 Ų104.275%0.75254%0.539SS*.Hα-helixtrans-67.1-47.5179-66.6-175.5168.800112.5D606 R610 L611 A612D606-E608 PolarHBondContact O-N 3.1Å; E608-R610 VanDerWaalsContact C-N 3.29Å; E608-R610 PolarHBondContact O-N 3.44Å; E608-L611 PolarHBondContact O-N 3.33Å; E608-L611 VanDerWaalsContact O-N 3.12Å; E608-A612 WeakPolarHBondContact O-CB 3.38Å; E608-A612 PolarHBondContact O-N 2.78Å
609T80.3Confident72.8Confident65 Ų65106.3 Ų106.340%0.39956%0.556SS.*Hα-helixtrans-66-33.3178.156.40000111.8S605 D606 T613S605-T609 WeakPolarHBondContact CB-OG1 3.28Å; D606-T609 PolarHBondContact N-OG1 3.34Å; D606-T609 VanDerWaalsContact N-OG1 3.13Å; D606-T609 PolarHBondContact O-N 3.08Å; D606-T609 PolarHBondContact O-OG1 3.04Å; T609-T613 WeakPolarHBondContact O-CB 3.3Å; T609-T613 PolarHBondContact O-N 3.09Å; T609-T613 PolarHBondContact O-OG1 3.43Å
610R79.4Confident72.1Confident163 Ų163108.2 Ų108.262%0.61557%0.567SS**Hα-helixtrans-63.7-44.1170.3-71.9172.661.3-166.9-2.3112.2S605 D606 E608 A614S605-R610 WeakPolarHBondContact O-CD 3.22Å; S605-R610 WeakPolarHBondContact OG-CD 3.35Å; S605-R610 WeakPolarHBondContact OG-CG 3.31Å; D606-R610 VanDerWaalsContact O-CG 3.29Å; D606-R610 WeakPolarHBondContact O-CG 3.4Å; D606-R610 PolarHBondContact O-N 3Å; E608-R610 VanDerWaalsContact C-N 3.29Å; E608-R610 PolarHBondContact O-N 3.44Å; R610-A614 VanDerWaalsContact O-CB 3.23Å; R610-A614 WeakPolarHBondContact O-CB 3.28Å; R610-A614 PolarHBondContact O-N 2.95Å
611L79.6Confident71.5Confident99 Ų99112.9 Ų112.952%0.51858%0.582SS.*Hα-helixtrans-65.6-43.5177-76.7168.6000111.1K607 E608 A614 M615K607-L611 HydrophobicContact CG-CD1 4.32Å; K607-L611 WeakPolarHBondContact O-CG 3.08Å; K607-L611 PolarHBondContact O-N 3.34Å; E608-L611 PolarHBondContact O-N 3.33Å; E608-L611 VanDerWaalsContact O-N 3.12Å; L611-A614 CarbonylContact O-C 3.53Å; L611-A614 PolarHBondContact O-N 3.47Å; L611-M615 WeakPolarHBondContact O-CB 3.47Å; L611-M615 WeakPolarHBondContact O-CG 3.49Å; L611-M615 PolarHBondContact O-N 2.72Å
612A80.5Confident71Confident62 Ų62116.4 Ų116.451%0.51260%0.597SS.*Hα-helixtrans-61.4-46.3176.200000112E608 A614 M615 A616E608-A612 WeakPolarHBondContact O-CB 3.38Å; E608-A612 PolarHBondContact O-N 2.78Å; A612-A614 VanDerWaalsContact C-N 3.32Å; A612-A614 PolarHBondContact O-N 3.09Å; A612-M615 PolarHBondContact O-N 3.42Å; A612-A616 WeakPolarHBondContact O-CB 3.24Å; A612-A616 PolarHBondContact O-N 2.74Å
613T80.1Confident70.6Confident101 Ų101115.2 Ų115.262%0.6260%0.595SS**Hα-helixtrans-63-39.5175.5-52.90000111.4T609 G617T609-T613 WeakPolarHBondContact O-CB 3.3Å; T609-T613 PolarHBondContact O-N 3.09Å; T609-T613 PolarHBondContact O-OG1 3.43Å; T613-G617 PolarHBondContact O-N 2.99Å
614A77.6Confident70.2Confident47 Ų47118.8 Ų118.839%0.38860%0.602SS.*Hα-helixtrans-68.1-34.7176.300000112.6R610 L611 A612 R618R610-A614 VanDerWaalsContact O-CB 3.23Å; R610-A614 WeakPolarHBondContact O-CB 3.28Å; R610-A614 PolarHBondContact O-N 2.95Å; L611-A614 CarbonylContact O-C 3.53Å; L611-A614 PolarHBondContact O-N 3.47Å; A612-A614 VanDerWaalsContact C-N 3.32Å; A612-A614 PolarHBondContact O-N 3.09Å; A614-R618 WeakPolarHBondContact O-CB 3.45Å; A614-R618 WeakPolarHBondContact O-CD 3.39Å; A614-R618 WeakPolarHBondContact O-CG 3.4Å; A614-R618 PolarHBondContact O-N 3.41Å; A614-R618 VanDerWaalsContact O-N 3.14Å
615M73.8Confident69.6Low111 Ų111115.3 Ų115.355%0.54759%0.59SS.*Hα-helixtrans-72.7-44.2175.6-71.7-69.1-81.500111.2L611 A612 G617 R618 T619L611-M615 WeakPolarHBondContact O-CB 3.47Å; L611-M615 WeakPolarHBondContact O-CG 3.49Å; L611-M615 PolarHBondContact O-N 2.72Å; A612-M615 PolarHBondContact O-N 3.42Å; M615-G617 PolarHBondContact O-N 3Å; M615-R618 WeakPolarHBondContact O-CB 3.48Å; M615-R618 PolarHBondContact O-N 3.36Å; M615-T619 PolarHBondContact O-N 2.94Å
616A76.7Confident68.9Low57 Ų57120.8 Ų120.847%0.47161%0.605SS.*Hα-helixtrans-56.8-50172.200000110.8A612 R618 T619A612-A616 WeakPolarHBondContact O-CB 3.24Å; A612-A616 PolarHBondContact O-N 2.74Å; A616-R618 PolarHBondContact O-N 3Å; A616-R618 VanDerWaalsContact O-N 3.12Å; A616-T619 PolarHBondContact O-N 2.87Å; A616-T619 VanDerWaalsContact O-N 3.11Å; A616-T619 PolarHBondContact O-OG1 2.85Å
617G71Confident67.8Low48 Ų48124.4 Ų124.450%0.49562%0.616SS.*Hα-helixtrans-67.8-9.5175.700000115.4T613 M615T613-G617 PolarHBondContact O-N 2.99Å; M615-G617 PolarHBondContact O-N 3Å
618R67.5Low66.6Low157 Ų157127.6 Ų127.659%0.59262%0.623SS**Hα-helixtrans-86.8-26.1172.1-83.5169.4-179.4175.5-0.6112.7A614 M615 A616 R621A614-R618 WeakPolarHBondContact O-CB 3.45Å; A614-R618 WeakPolarHBondContact O-CD 3.39Å; A614-R618 WeakPolarHBondContact O-CG 3.4Å; A614-R618 PolarHBondContact O-N 3.41Å; A614-R618 VanDerWaalsContact O-N 3.14Å; M615-R618 WeakPolarHBondContact O-CB 3.48Å; M615-R618 PolarHBondContact O-N 3.36Å; A616-R618 PolarHBondContact O-N 3Å; A616-R618 VanDerWaalsContact O-N 3.12Å; R618-R621 WeakPolarHBondContact O-CB 3.37Å; R618-R621 PolarHBondContact O-N 3.28Å
619T60.6Low65.5Low99 Ų99126.6 Ų126.661%0.60763%0.628SS**Hα-helixtrans-63.7-46.7-17858.20000111.9M615 A616 R621M615-T619 PolarHBondContact O-N 2.94Å; A616-T619 PolarHBondContact O-N 2.87Å; A616-T619 VanDerWaalsContact O-N 3.11Å; A616-T619 PolarHBondContact O-OG1 2.85Å; T619-R621 VanDerWaalsContact C-N 3.28Å; T619-R621 PolarHBondContact O-N 2.85Å
620D57Low64.4Low95 Ų95128.2 Ų128.251%0.50863%0.629SS.*G310 helixtrans-75.2-13.4179.1-58.5-26.3000114K622 E623 F624D620-K622 PolarHBondContact O-N 3.15Å; D620-K622 VanDerWaalsContact O-N 3.16Å; D620-E623 PolarHBondContact O-N 3.3Å; D620-E623 VanDerWaalsContact O-N 3.14Å; D620-F624 HydrophobicContact CB-CD2 4.34Å; D620-F624 HydrophobicContact CB-CE2 4.23Å; D620-F624 VanDerWaalsContact O-CD2 3.26Å; D620-F624 WeakPolarHBondContact O-CD2 3.41Å
621R54.6Low63.2Low161 Ų161128.8 Ų128.861%0.60864%0.644SS**G310 helixtrans-68.8-18.3-173-139.7178.5-166.1-1775.8113.3R618 T619 E623 M625R618-R621 WeakPolarHBondContact O-CB 3.37Å; R618-R621 PolarHBondContact O-N 3.28Å; T619-R621 VanDerWaalsContact C-N 3.28Å; T619-R621 PolarHBondContact O-N 2.85Å; R621-E623 VanDerWaalsContact C-N 3.31Å; R621-M625 WeakPolarHBondContact O-CG 3.41Å; R621-M625 PolarHBondContact O-N 3.37Å
622K56.4Low62.2Low190 Ų190129.9 Ų129.983%0.82665%0.65SS**G310 helixtrans-68.8-30.1175-72.7-176.3179.1178.60112.1D620D620-K622 PolarHBondContact O-N 3.15Å; D620-K622 VanDerWaalsContact O-N 3.16Å
623E53.8Low61.4Low164 Ų164132.5 Ų132.577%0.76666%0.662SS**THydrogen-bonded Turntrans-86.1-30.5-179.1-65.2-172.1158.700112.8D620 R621D620-E623 PolarHBondContact O-N 3.3Å; D620-E623 VanDerWaalsContact O-N 3.14Å; R621-E623 VanDerWaalsContact C-N 3.31Å
624F54.1Low60.5Low165 Ų165136.6 Ų136.672%0.72467%0.674SS**SBendtrans-91.44-179.9-63.6-73.6000114.9D620 K626D620-F624 HydrophobicContact CB-CD2 4.34Å; D620-F624 HydrophobicContact CB-CE2 4.23Å; D620-F624 VanDerWaalsContact O-CD2 3.26Å; D620-F624 WeakPolarHBondContact O-CD2 3.41Å; F624-K626 PolarHBondContact O-N 3.29Å; F624-K626 VanDerWaalsContact O-N 3.08Å
625M53.1Low60.1Low128 Ų128136.9 Ų136.963%0.63168%0.676SS**SBendtrans-70.2105.3167.4-82.3-76.4161.600108.7R621 K627R621-M625 WeakPolarHBondContact O-CG 3.41Å; R621-M625 PolarHBondContact O-N 3.37Å; M625-K627 PolarHBondContact O-N 2.86Å
626K55Low59.8Low183 Ų183136.6 Ų136.680%0.79669%0.685SS**  trans-47.3106.4174.5-165.9178.7-171176.90109.7F624 R628F624-K626 PolarHBondContact O-N 3.29Å; F624-K626 VanDerWaalsContact O-N 3.08Å; K626-R628 PolarHBondContact O-N 3.44Å
627K55Low59.3Low192 Ų192137.2 Ų137.284%0.83568%0.683SS**  trans-48.3114.8179-78.3-177.4177.61780108.5M625 T629M625-K627 PolarHBondContact O-N 2.86Å; K627-T629 PolarHBondContact O-N 2.9Å
628R54.2Low59.3Low232 Ų232137.9 Ų137.988%0.87568%0.68SS**  trans-62.1114.2176.4-79.4-168.1173.6-172.52.5107.2K626 K630K626-R628 PolarHBondContact O-N 3.44Å; R628-K630 PolarHBondContact O-N 3.33Å; R628-K630 VanDerWaalsContact O-N 3.07Å
629T55.1Low59.3Low139 Ų139136.2 Ų136.285%0.85368%0.683SS**SBendtrans-73.54.2-173.7-27.50000113.4K627K627-T629 PolarHBondContact O-N 2.9Å
630K57.4Low59.5Low99 Ų99139.5 Ų139.543%0.4369%0.689SS.*  trans-118.6116.3-178.9-68.5179.5176.3174.60108.7R628 N632 A635 E641R628-K630 PolarHBondContact O-N 3.33Å; R628-K630 VanDerWaalsContact O-N 3.07Å; K630-N632 VanDerWaalsContact C-N 3.3Å; K630-N632 PolarHBondContact O-N 3.13Å; K630-A635 HydrophobicContact CD-CB 4.34Å; K630-E641 IonicContact NZ-OE2 3.72Å; K630-E641 PolarHBondContact NZ-OE2 2.81Å
631L54.3Low59.8Low175 Ų175139.2 Ų139.292%0.91668%0.684SS**SBendtrans-66.9-26.4-176.9-115.779.7000113.3P633L631-P633 WeakPolarHBondContact O-CD 3.49Å
632N57.8Low60.5Low123 Ų123136.5 Ų136.566%0.65868%0.677SS**  trans-92.3122.5-176.4-83.4-17000113.2K630 H634 A635K630-N632 VanDerWaalsContact C-N 3.3Å; K630-N632 PolarHBondContact O-N 3.13Å; N632-H634 PolarHBondContact O-N 3.14Å; N632-A635 HydrophobicContact CB-CB 4.48Å; N632-A635 PolarHBondContact O-N 3.42Å
633P63.8Low60.9Low117 Ų117133.4 Ų133.476%0.7666%0.66SS**THydrogen-bonded Turntrans-59.6-22.6177-26.936.1000115.6L631L631-P633 WeakPolarHBondContact O-CD 3.49Å
634H62.2Low61.4Low187 Ų187135.5 Ų135.587%0.86666%0.661SS**THydrogen-bonded Turntrans-104.611.4-176.2-60.1-71.3000114.9N632 S636N632-H634 PolarHBondContact O-N 3.14Å; H634-S636 PolarHBondContact O-N 2.87Å
635A69.3Low61.9Low53 Ų53136.6 Ų136.644%0.43867%0.665SS.*PPolyproline II helixtrans-68.8129.6-179.200000112.1K630 N632K630-A635 HydrophobicContact CD-CB 4.34Å; N632-A635 HydrophobicContact CB-CB 4.48Å; N632-A635 PolarHBondContact O-N 3.42Å
636S66.9Low62.8Low105 Ų105136.3 Ų136.373%0.73466%0.661SS**PPolyproline II helixtrans-63.1146.8177.458.70000112.2H634H634-S636 PolarHBondContact O-N 2.87Å
637T66.6Low63.6Low70 Ų70133.3 Ų133.343%0.42965%0.654SS.*PPolyproline II helixtrans-77.7136.3179.4490000110.7K642T637-K642 WeakPolarHBondContact O-CE 3.32Å; T637-K642 WeakPolarHBondContact OG1-CE 3.44Å; T637-K642 WeakPolarHBondContact OG1-CG 3.3Å
638S70.1Confident64.3Low62 Ų62131 Ų13143%0.43464%0.644SS.*PPolyproline II helixtrans-67.8150176.5174.40000110.4K640 E641 K642S638-K640 PolarHBondContact O-N 3.05Å; S638-K640 PolarHBondContact OG-N 3.45Å; S638-E641 PolarHBondContact N-OE2 3.1Å; S638-E641 VanDerWaalsContact N-OE2 3.15Å; S638-E641 WeakPolarHBondContact O-CA 3.45Å; S638-E641 WeakPolarHBondContact O-CB 3.32Å; S638-E641 PolarHBondContact O-N 3.14Å; S638-K642 PolarHBondContact O-N 2.87Å
639N67.9Low65.1Low122 Ų122126 Ų12665%0.65263%0.632SS**Hα-helixtrans-54.3-26.6173-77.6-17.6000113R643N639-R643 WeakPolarHBondContact O-CB 3.39Å; N639-R643 PolarHBondContact O-N 3.42Å
640K64.3Low65.8Low168 Ų168126.2 Ų126.273%0.7363%0.625SS**Hα-helixtrans-69.1-35.7173.6-166.8174.8-178.9-179.80112.7S638S638-K640 PolarHBondContact O-N 3.05Å; S638-K640 PolarHBondContact OG-N 3.45Å
641E64.9Low66.2Low88 Ų88124 Ų12441%0.41162%0.616SS.*Hα-helixtrans-77.1-42.1175.6-67.4172.9148.100111K630 S638 R643 R644 K645K630-E641 IonicContact NZ-OE2 3.72Å; K630-E641 PolarHBondContact NZ-OE2 2.81Å; S638-E641 PolarHBondContact N-OE2 3.1Å; S638-E641 VanDerWaalsContact N-OE2 3.15Å; S638-E641 WeakPolarHBondContact O-CA 3.45Å; S638-E641 WeakPolarHBondContact O-CB 3.32Å; S638-E641 PolarHBondContact O-N 3.14Å; E641-R643 VanDerWaalsContact C-N 3.25Å; E641-R643 PolarHBondContact O-N 2.99Å; E641-R644 PolarHBondContact O-N 3.25Å; E641-K645 PolarHBondContact O-N 2.88Å
642K68.3Low66.9Low105 Ų105122.5 Ų122.546%0.45760%0.599SS.*Hα-helixtrans-57-38.9173.3-67-178-179.2177.70111.5T637 S638 R644 K645 K646T637-K642 WeakPolarHBondContact O-CE 3.32Å; T637-K642 WeakPolarHBondContact OG1-CE 3.44Å; T637-K642 WeakPolarHBondContact OG1-CG 3.3Å; S638-K642 PolarHBondContact O-N 2.87Å; K642-R644 PolarHBondContact O-N 3.47Å; K642-K645 PolarHBondContact O-N 3.05Å; K642-K646 PolarHBondContact O-N 3.44Å
643R64.1Low67.4Low125 Ų125122.7 Ų122.747%0.47260%0.595SS.*Hα-helixtrans-62-36.5173.6-92.617666.3-176.82.7114N639 E641 K645 K646 M651N639-R643 WeakPolarHBondContact O-CB 3.39Å; N639-R643 PolarHBondContact O-N 3.42Å; E641-R643 VanDerWaalsContact C-N 3.25Å; E641-R643 PolarHBondContact O-N 2.99Å; R643-K645 VanDerWaalsContact C-N 3.3Å; R643-K645 PolarHBondContact O-N 3.46Å; R643-K646 PolarHBondContact O-N 3.28Å; R643-M651 VanDerWaalsContact O-SD 3.38Å
644R64Low67.8Low208 Ų208119.2 Ų119.279%0.78557%0.574SS**Hα-helixtrans-72.4-24.4179.9-67.4-17996.6167.87.5112.8E641 K642E641-R644 PolarHBondContact O-N 3.25Å; K642-R644 PolarHBondContact O-N 3.47Å
645K65.9Low67.9Low187 Ų187117.7 Ų117.781%0.81357%0.567SS**THydrogen-bonded Turntrans-89.4-3.6176.7-74.6-171.8175.3-173.80114.1E641 K642 R643E641-K645 PolarHBondContact O-N 2.88Å; K642-K645 PolarHBondContact O-N 3.05Å; R643-K645 VanDerWaalsContact C-N 3.3Å; R643-K645 PolarHBondContact O-N 3.46Å
646K71.1Confident67.6Low123 Ų123119.3 Ų119.354%0.53557%0.568SS.*SBendtrans-71.2137.5176.2-73.6-171.9178.2-167.30110.6K642 R643 M651K642-K646 PolarHBondContact O-N 3.44Å; R643-K646 PolarHBondContact O-N 3.28Å; K646-M651 HydrophobicContact CB-CG 3.93Å
647N71.9Confident67.6Low120 Ų120116.9 Ų116.964%0.64255%0.549SS*.  trans-58.7144.7-179.2-159.56.4000111.6M649 M650 M651N647-M649 VanDerWaalsContact C-N 3.34Å; N647-M649 PolarHBondContact O-N 3.32Å; N647-M650 WeakPolarHBondContact O-CB 3.47Å; N647-M650 PolarHBondContact O-N 3.08Å; N647-M651 PolarHBondContact O-N 3.26Å
648F69.3Low67.5Low144 Ų144122.4 Ų122.463%0.63256%0.562SS**Hα-helixtrans-60.7-39.9-170.9178.1-102000113M650 M651 R652F648-M650 PolarHBondContact O-N 3.46Å; F648-M651 PolarHBondContact O-N 2.71Å; F648-R652 PolarHBondContact O-N 3.18Å
649M72.1Confident67.1Low126 Ų126123.1 Ų123.162%0.62156%0.564SS**Hα-helixtrans-58.8-34.8175.8-74.5-60.7-158.600112.6N647N647-M649 VanDerWaalsContact C-N 3.34Å; N647-M649 PolarHBondContact O-N 3.32Å
650M68.6Low66.8Low143 Ų143125.7 Ų125.770%0.70457%0.569SS**Hα-helixtrans-77.1-26.6177.2-67.3-107.2-80.900112.7N647 F648N647-M650 WeakPolarHBondContact O-CB 3.47Å; N647-M650 PolarHBondContact O-N 3.08Å; F648-M650 PolarHBondContact O-N 3.46Å
651M66.1Low66.6Low52 Ų52120.7 Ų120.726%0.25657%0.565SS.*Hα-helixtrans-87-22.9177.4-76.6-133.9-62.900113.7R643 K646 N647 F648 H653 S654 V657R643-M651 VanDerWaalsContact O-SD 3.38Å; K646-M651 HydrophobicContact CB-CG 3.93Å; N647-M651 PolarHBondContact O-N 3.26Å; F648-M651 PolarHBondContact O-N 2.71Å; M651-H653 PolarHBondContact O-N 3.42Å; M651-S654 WeakPolarHBondContact O-CB 3.37Å; M651-S654 PolarHBondContact O-N 3.46Å; M651-V657 HydrophobicContact CB-CG2 4.48Å; M651-V657 WeakPolarHBondContact O-CB 3.46Å; M651-V657 WeakPolarHBondContact O-CG2 3.4Å
652R69.2Low66.3Low145 Ų145126 Ų12655%0.54759%0.586SS.*Hα-helixtrans-58.8-35.2-178-174.2-178.3177.7-168-1.3112.8F648 R658F648-R652 PolarHBondContact O-N 3.18Å; R652-R658 WeakPolarHBondContact O-CG 3.33Å
653H68.9Low66Low127 Ų127128.5 Ų128.559%0.58859%0.593SS**THydrogen-bonded Turntrans-86.3-8.8178.7-61-75.7000113.3M651 Q655M651-H653 PolarHBondContact O-N 3.42Å; H653-Q655 PolarHBondContact O-N 2.97Å
654S71.4Confident66.4Low43 Ų43125.4 Ų125.430%0.30159%0.591SS.*SBendtrans-64.4128.8176.6-175.80000110M651 N656 V657 R658M651-S654 WeakPolarHBondContact O-CB 3.37Å; M651-S654 PolarHBondContact O-N 3.46Å; S654-N656 PolarHBondContact O-N 2.96Å; S654-N656 VanDerWaalsContact O-N 3.14Å; S654-V657 PolarHBondContact O-N 3.29Å; S654-R658 PolarHBondContact O-N 2.89Å; S654-R658 VanDerWaalsContact O-N 3.16Å
655Q64.1Low66.5Low155 Ų155123.6 Ų123.672%0.72459%0.589SS**Hα-helixtrans-52.2-40-179.3-159163.74.500111.8H653 V657 R658 T659H653-Q655 PolarHBondContact O-N 2.97Å; Q655-V657 VanDerWaalsContact C-N 3.26Å; Q655-V657 PolarHBondContact O-N 3.15Å; Q655-R658 PolarHBondContact O-N 2.96Å; Q655-T659 HydrophobicContact CG-CG2 4.28Å; Q655-T659 WeakPolarHBondContact O-CB 3.4Å; Q655-T659 WeakPolarHBondContact O-CG2 3.38Å; Q655-T659 PolarHBondContact O-N 3.28Å; Q655-T659 PolarHBondContact O-OG1 3.2Å
656N64.1Low66.9Low88 Ų88123.9 Ų123.947%0.47159%0.585SS.*Hα-helixtrans-62.5-21.8176.2-78.9-42.5000115.6S654 K660S654-N656 PolarHBondContact O-N 2.96Å; S654-N656 VanDerWaalsContact O-N 3.14Å; N656-K660 WeakPolarHBondContact O-CG 3.37Å
657V66.4Low67.1Low53 Ų53123 Ų12332%0.32158%0.583SS.*Hα-helixtrans-92.8-36.2177.3178.10000110M651 S654 Q655M651-V657 HydrophobicContact CB-CG2 4.48Å; M651-V657 WeakPolarHBondContact O-CB 3.46Å; M651-V657 WeakPolarHBondContact O-CG2 3.4Å; S654-V657 PolarHBondContact O-N 3.29Å; Q655-V657 VanDerWaalsContact C-N 3.26Å; Q655-V657 PolarHBondContact O-N 3.15Å
658R64.3Low67.3Low186 Ų186123.3 Ų123.370%0.70258%0.578SS**Hα-helixtrans-68.5-37.2174.6-67.2178.7106.3172.91.6112.5R652 S654 Q655 K660R652-R658 WeakPolarHBondContact O-CG 3.33Å; S654-R658 PolarHBondContact O-N 2.89Å; S654-R658 VanDerWaalsContact O-N 3.16Å; Q655-R658 PolarHBondContact O-N 2.96Å; R658-K660 PolarHBondContact O-N 2.94Å
659T63Low67.9Low77 Ų77122.1 Ų122.147%0.47258%0.575SS.*THydrogen-bonded Turntrans-87.74.7-178.360.10000114.6Q655 G661Q655-T659 HydrophobicContact CG-CG2 4.28Å; Q655-T659 WeakPolarHBondContact O-CB 3.4Å; Q655-T659 WeakPolarHBondContact O-CG2 3.38Å; Q655-T659 PolarHBondContact O-N 3.28Å; Q655-T659 PolarHBondContact O-OG1 3.2Å; T659-G661 CarbonylContact O-C 3.48Å; T659-G661 PolarHBondContact O-N 3.45Å; T659-G661 VanDerWaalsContact O-N 3.09Å
660K60.6Low68.4Low177 Ų177121 Ų12177%0.7757%0.571SS**THydrogen-bonded Turntrans-63.3-14175.2-96.9179.6179-1720113.5N656 R658 K662N656-K660 WeakPolarHBondContact O-CG 3.37Å; R658-K660 PolarHBondContact O-N 2.94Å; K660-K662 PolarHBondContact O-N 3.37Å
661G60.1Low69Low62 Ų62116.2 Ų116.264%0.63955%0.554SS**SBendtrans-82.299163.700000110.9T659T659-G661 CarbonylContact O-C 3.48Å; T659-G661 PolarHBondContact O-N 3.45Å; T659-G661 VanDerWaalsContact O-N 3.09Å
662K59.4Low69.9Low199 Ų199119 Ų11987%0.86557%0.57SS**  trans73.286.5165.2-50.6-178.6-177.2-178.50116.4K660K660-K662 PolarHBondContact O-N 3.37Å
663R61.2Low70.6Confident158 Ų158117.7 Ų117.760%0.59657%0.57SS**  trans-62.3133.5151.4-74.2-176.6173.9178.7-6108.9E667 K668R663-E667 WeakPolarHBondContact CA-OE2 3.41Å; R663-E667 HydrophobicContact CB-CB 4.26Å; R663-E667 WeakPolarHBondContact CB-OE2 3.45Å; R663-K668 HydrophobicContact CB-CG 4.07Å
664S72.4Confident71.5Confident61 Ų61114.4 Ų114.443%0.42756%0.564SS.*  trans-62.215717575.60000110.2R666 E667 K668S664-R666 PolarHBondContact O-N 3.46Å; S664-E667 PolarHBondContact N-OE2 3.41Å; S664-E667 PolarHBondContact O-N 3.18Å; S664-E667 VanDerWaalsContact O-N 3.12Å; S664-E667 WeakPolarHBondContact OG-CG 3.46Å; S664-E667 PolarHBondContact OG-N 2.93Å; S664-K668 PolarHBondContact O-N 3.44Å; S664-K668 VanDerWaalsContact O-N 3.08Å
665F66.5Low72Confident169 Ų169115 Ų11574%0.74157%0.571SS**Hα-helixtrans-57.3-39.3178.8-171.2-100.1000111.4E667 K668 Q669F665-E667 PolarHBondContact O-N 3.36Å; F665-K668 WeakPolarHBondContact O-CB 3.16Å; F665-K668 PolarHBondContact O-N 3.1Å; F665-K668 VanDerWaalsContact O-N 3.15Å; F665-Q669 PolarHBondContact O-N 3.35Å
666R73.5Confident73Confident193 Ų193112.5 Ų112.573%0.72856%0.563SS**Hα-helixtrans-61-40.7175.3-166.5170.8-178.8173.6-0.1113.1S664 Q669 L670S664-R666 PolarHBondContact O-N 3.46Å; R666-Q669 PolarHBondContact O-N 3.14Å; R666-L670 WeakPolarHBondContact O-CG 3.49Å; R666-L670 PolarHBondContact O-N 3.3Å
667E76.6Confident73.9Confident104 Ų104113 Ų11349%0.48657%0.565SS.*Hα-helixtrans-67.6-34.7174.8-75.9178.4169.800112.8R663 S664 F665 A671R663-E667 WeakPolarHBondContact CA-OE2 3.41Å; R663-E667 HydrophobicContact CB-CB 4.26Å; R663-E667 WeakPolarHBondContact CB-OE2 3.45Å; S664-E667 PolarHBondContact N-OE2 3.41Å; S664-E667 PolarHBondContact O-N 3.18Å; S664-E667 VanDerWaalsContact O-N 3.12Å; S664-E667 WeakPolarHBondContact OG-CG 3.46Å; S664-E667 PolarHBondContact OG-N 2.93Å; F665-E667 PolarHBondContact O-N 3.36Å; E667-A671 VanDerWaalsContact O-CB 3.29Å; E667-A671 WeakPolarHBondContact O-CB 3.49Å; E667-A671 PolarHBondContact O-N 3.01Å
668K76.3Confident74.6Confident127 Ų127118 Ų11855%0.55258%0.582SS**Hα-helixtrans-68.1-41.3174.7-68.1180-175.4174.90111.2R663 S664 F665 A671 L672R663-K668 HydrophobicContact CB-CG 4.07Å; S664-K668 PolarHBondContact O-N 3.44Å; S664-K668 VanDerWaalsContact O-N 3.08Å; F665-K668 WeakPolarHBondContact O-CB 3.16Å; F665-K668 PolarHBondContact O-N 3.1Å; F665-K668 VanDerWaalsContact O-N 3.15Å; K668-A671 PolarHBondContact O-N 2.85Å; K668-L672 WeakPolarHBondContact O-CB 3.37Å; K668-L672 PolarHBondContact O-N 3.39Å
669Q81.4Confident75Confident119 Ų119115.4 Ų115.456%0.55658%0.576SS**Hα-helixtrans-63.2-48.4177.5-168.9-178.88.700111.6F665 R666 A671 L672 Q673F665-Q669 PolarHBondContact O-N 3.35Å; R666-Q669 PolarHBondContact O-N 3.14Å; Q669-A671 VanDerWaalsContact C-N 3.33Å; Q669-A671 PolarHBondContact O-N 3.1Å; Q669-L672 WeakPolarHBondContact O-CB 3.35Å; Q669-L672 PolarHBondContact O-N 2.94Å; Q669-Q673 WeakPolarHBondContact O-CB 3.42Å; Q669-Q673 PolarHBondContact O-N 2.88Å
670L83Confident75.7Confident102 Ų102119.5 Ų119.553%0.53459%0.587SS.*Hα-helixtrans-61.3-40.2176-76167.8000112.3R666 Q673 A674R666-L670 WeakPolarHBondContact O-CG 3.49Å; R666-L670 PolarHBondContact O-N 3.3Å; L670-Q673 PolarHBondContact O-N 3.42Å; L670-A674 WeakPolarHBondContact O-CB 3.3Å; L670-A674 PolarHBondContact O-N 3.16Å
671A81.2Confident76.2Confident43 Ų43119 Ų11936%0.35559%0.585SS.*Hα-helixtrans-66.8-37.3176.800000112.4E667 K668 Q669 A675E667-A671 VanDerWaalsContact O-CB 3.29Å; E667-A671 WeakPolarHBondContact O-CB 3.49Å; E667-A671 PolarHBondContact O-N 3.01Å; K668-A671 PolarHBondContact O-N 2.85Å; Q669-A671 VanDerWaalsContact C-N 3.33Å; Q669-A671 PolarHBondContact O-N 3.1Å; A671-A675 WeakPolarHBondContact O-CB 3.24Å; A671-A675 PolarHBondContact O-N 3.3Å
672L83.6Confident76.4Confident112 Ų112123.4 Ų123.459%0.58659%0.589SS**Hα-helixtrans-66.1-47174.8-171.181.5000110.7K668 Q669 A674 A675 L676K668-L672 WeakPolarHBondContact O-CB 3.37Å; K668-L672 PolarHBondContact O-N 3.39Å; Q669-L672 WeakPolarHBondContact O-CB 3.35Å; Q669-L672 PolarHBondContact O-N 2.94Å; L672-A674 VanDerWaalsContact C-N 3.35Å; L672-A674 PolarHBondContact O-N 3.26Å; L672-A675 WeakPolarHBondContact O-CB 3.29Å; L672-A675 PolarHBondContact O-N 3.47Å; L672-A675 VanDerWaalsContact O-N 3.14Å; L672-L676 HydrophobicContact CG-CD1 4.28Å; L672-L676 WeakPolarHBondContact O-CG 2.96Å; L672-L676 PolarHBondContact O-N 3.02Å
673Q85.4Confident76.2Confident117 Ų117123.9 Ų123.955%0.54759%0.587SS.*Hα-helixtrans-61.2-43.5178.3-165.3179.717.700111.4Q669 L670 A675 L676 L677Q669-Q673 WeakPolarHBondContact O-CB 3.42Å; Q669-Q673 PolarHBondContact O-N 2.88Å; L670-Q673 PolarHBondContact O-N 3.42Å; Q673-A675 VanDerWaalsContact C-N 3.34Å; Q673-A675 PolarHBondContact O-N 3.33Å; Q673-L676 PolarHBondContact O-N 3.41Å; Q673-L677 HydrophobicContact CG-CD1 4.43Å; Q673-L677 WeakPolarHBondContact O-CB 3.21Å; Q673-L677 PolarHBondContact O-N 2.91Å
674A86.4Confident75.6Confident58 Ų58127.9 Ų127.948%0.47961%0.609SS.*Hα-helixtrans-63.1-38.6174.600000112.4L670 L672 K678L670-A674 WeakPolarHBondContact O-CB 3.3Å; L670-A674 PolarHBondContact O-N 3.16Å; L672-A674 VanDerWaalsContact C-N 3.35Å; L672-A674 PolarHBondContact O-N 3.26Å; A674-K678 WeakPolarHBondContact O-CB 3.36Å; A674-K678 PolarHBondContact O-N 3.3Å
675A83.2Confident75.7Confident54 Ų54131.3 Ų131.345%0.44662%0.618SS.*Hα-helixtrans-67.6-40.6176.200000112.3A671 L672 Q673 K678 K679A671-A675 WeakPolarHBondContact O-CB 3.24Å; A671-A675 PolarHBondContact O-N 3.3Å; L672-A675 WeakPolarHBondContact O-CB 3.29Å; L672-A675 PolarHBondContact O-N 3.47Å; L672-A675 VanDerWaalsContact O-N 3.14Å; Q673-A675 VanDerWaalsContact C-N 3.34Å; Q673-A675 PolarHBondContact O-N 3.33Å; A675-K678 PolarHBondContact O-N 3.05Å; A675-K679 PolarHBondContact O-N 3.06Å
676L85.1Confident76.2Confident104 Ų104129.3 Ų129.355%0.54561%0.611SS.*Hα-helixtrans-66.5-42.6176.2-70.8174.3000111.7L672 Q673 K678 K679 K680L672-L676 HydrophobicContact CG-CD1 4.28Å; L672-L676 WeakPolarHBondContact O-CG 2.96Å; L672-L676 PolarHBondContact O-N 3.02Å; Q673-L676 PolarHBondContact O-N 3.41Å; L676-K678 VanDerWaalsContact C-N 3.3Å; L676-K678 PolarHBondContact O-N 3.32Å; L676-K679 PolarHBondContact O-N 3.02Å; L676-K680 WeakPolarHBondContact O-CB 3.47Å; L676-K680 PolarHBondContact O-N 3.24Å
677L82.9Confident76.4Confident98 Ų98125.7 Ų125.751%0.51361%0.605SS.*Hα-helixtrans-60.7-38.9172.6-83.5163.1000112.2Q673 K680 K681Q673-L677 HydrophobicContact CG-CD1 4.43Å; Q673-L677 WeakPolarHBondContact O-CB 3.21Å; Q673-L677 PolarHBondContact O-N 2.91Å; L677-K680 PolarHBondContact O-N 2.68Å; L677-K681 PolarHBondContact O-N 3.31Å
678K79.8Confident76.4Confident157 Ų157127 Ų12768%0.68361%0.612SS**Hα-helixtrans-69-37.9177.7-145.7174.4-169.2176.40112.3A674 A675 L676 K681 Q682A674-K678 WeakPolarHBondContact O-CB 3.36Å; A674-K678 PolarHBondContact O-N 3.3Å; A675-K678 PolarHBondContact O-N 3.05Å; L676-K678 VanDerWaalsContact C-N 3.3Å; L676-K678 PolarHBondContact O-N 3.32Å; K678-K681 PolarHBondContact O-N 3.07Å; K678-Q682 PolarHBondContact O-N 3.27Å
679K74.6Confident76.4Confident133 Ų133127 Ų12758%0.57862%0.616SS**Hα-helixtrans-63.5-45.4169.6-87.5-172.1172-173.20111A675 L676 K681 Q682 Y683A675-K679 PolarHBondContact O-N 3.06Å; L676-K679 PolarHBondContact O-N 3.02Å; K679-K681 VanDerWaalsContact C-N 3.26Å; K679-K681 PolarHBondContact O-N 3.24Å; K679-Q682 PolarHBondContact O-N 3.35Å; K679-Y683 WeakPolarHBondContact O-CD2 3.47Å; K679-Y683 PolarHBondContact O-N 3.32Å
680K75.9Confident76Confident162 Ų162127.5 Ų127.570%0.70462%0.62SS**Hα-helixtrans-61.1-34.7179-154.6174.8-175178.50112.3L676 L677 Q682 Y683 K684L676-K680 WeakPolarHBondContact O-CB 3.47Å; L676-K680 PolarHBondContact O-N 3.24Å; L677-K680 PolarHBondContact O-N 2.68Å; K680-Q682 VanDerWaalsContact C-N 3.32Å; K680-Y683 PolarHBondContact O-N 3.21Å; K680-K684 PolarHBondContact O-N 3.03Å
681K72.4Confident75.5Confident167 Ų167129.4 Ų129.473%0.72663%0.626SS**THydrogen-bonded Turntrans-74.6-12.1172-77.3-172.7177.2-172.50115.3L677 K678 K679L677-K681 PolarHBondContact O-N 3.31Å; K678-K681 PolarHBondContact O-N 3.07Å; K679-K681 VanDerWaalsContact C-N 3.26Å; K679-K681 PolarHBondContact O-N 3.24Å
682Q64.2Low75.1Confident155 Ų155136 Ų13672%0.72465%0.646SS**THydrogen-bonded Turntrans-94.8-12.3172.7-77.8-176.5-3800112.5K678 K679 K680K678-Q682 PolarHBondContact O-N 3.27Å; K679-Q682 PolarHBondContact O-N 3.35Å; K680-Q682 VanDerWaalsContact C-N 3.32Å
683Y55.1Low74.4Confident208 Ų208138 Ų13882%0.81665%0.651SS**  trans-106.84.2176.7-79.4-78.7000113.1K679 K680K679-Y683 WeakPolarHBondContact O-CD2 3.47Å; K679-Y683 PolarHBondContact O-N 3.32Å; K680-Y683 PolarHBondContact O-N 3.21Å
684K47.8Very low73.4Confident243 Ų243139.9 Ų139.9100%1.05766%0.661SS**  trans-105.40152.7-90.6-169.7173.4-169.60106.4K680K680-K684 PolarHBondContact O-N 3.03Å

Retrieved 684 of 684 residues in 1047.5 ms (Link to these results)

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