A0A087WSQ1_MOUSE Loading...

SLIT-ROBO Rho GTPase activating protein 2

AlphaFold DB , UniProt , Accession A0A087WSQ1, Species MOUSE (Mus musculus, Mouse), Gene Srgap2, Length 649 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
1S89.2Confident95Very high63 Ų6385.7 Ų85.744%0.44143%0.434SS..  0-57.50-290000112.2E3 V4 G5 C138S1-E3 PolarHBondContact O-N 3.26Å; S1-V4 PolarHBondContact O-N 3.03Å; S1-G5 PolarHBondContact O-N 3.15Å; S1-C138 WeakPolarHBondContact OG-CB 3.44Å; S1-C138 PolarHBondContact OG-O 2.89Å
2K93.4Very high95.2Very high187 Ų18780.3 Ų80.381%0.81341%0.407SS*.Hα-helixtrans-55.4-46.1179.3-173.8178.1178.7-179.30114.2G5 Q6K2-G5 PolarHBondContact O-N 3.19Å; K2-Q6 PolarHBondContact O-N 3.12Å
3E95.9Very high95.3Very high170 Ų17081.8 Ų81.879%0.79441%0.413SS*.Hα-helixtrans-65.3-38.6178.6-66.7173177.600112.5S1 Q6 Q7S1-E3 PolarHBondContact O-N 3.26Å; E3-Q6 PolarHBondContact O-N 3.3Å; E3-Q7 WeakPolarHBondContact O-CB 3.21Å; E3-Q7 PolarHBondContact O-N 2.9Å
4V94.5Very high95.4Very high69 Ų6983.4 Ų83.442%0.41842%0.416SS..Hα-helixtrans-65.1-41.9174.7-1800000110.8S1 Q7 L8 I134S1-V4 PolarHBondContact O-N 3.03Å; V4-Q7 PolarHBondContact O-N 3.2Å; V4-L8 HydrophobicContact CG1-CD1 4.3Å; V4-L8 WeakPolarHBondContact O-CG 3.44Å; V4-L8 PolarHBondContact O-N 3.31Å; V4-I134 HydrophobicContact CG1-CG1 4.49Å
5G94.9Very high95.4Very high13 Ų1380.1 Ų80.113%0.13440%0.402CS..Hα-helixtrans-61.6-43.2173.200000112.7S1 K2 L8 Q9S1-G5 PolarHBondContact O-N 3.15Å; K2-G5 PolarHBondContact O-N 3.19Å; G5-L8 PolarHBondContact O-N 3.22Å; G5-Q9 WeakPolarHBondContact O-CG 3.47Å; G5-Q9 PolarHBondContact O-N 3.18Å
6Q95.7Very high95.4Very high89 Ų8979.3 Ų79.342%0.41640%0.399SS..Hα-helixtrans-63-43.9175.5-171.263.251.900111.4K2 E3 L8 Q9 D10K2-Q6 PolarHBondContact O-N 3.12Å; E3-Q6 PolarHBondContact O-N 3.3Å; Q6-L8 PolarHBondContact O-N 3.16Å; Q6-Q9 PolarHBondContact O-N 3.42Å; Q6-D10 PolarHBondContact NE2-OD1 2.85Å; Q6-D10 WeakPolarHBondContact O-CB 3.48Å; Q6-D10 PolarHBondContact O-N 3Å
7Q96.3Very high95.4Very high94 Ų9480.7 Ų80.744%0.43941%0.408SS..Hα-helixtrans-59.7-45.1177.3-178.762.54400111.9E3 V4 Q9 D10 D11E3-Q7 WeakPolarHBondContact O-CB 3.21Å; E3-Q7 PolarHBondContact O-N 2.9Å; V4-Q7 PolarHBondContact O-N 3.2Å; Q7-Q9 VanDerWaalsContact C-N 3.34Å; Q7-Q9 PolarHBondContact O-N 3.47Å; Q7-D10 PolarHBondContact O-N 3.06Å; Q7-D11 PolarHBondContact NE2-OD1 3.39Å; Q7-D11 PolarHBondContact NE2-OD2 3.33Å; Q7-D11 WeakPolarHBondContact O-CB 3.41Å; Q7-D11 PolarHBondContact O-N 3.28Å
8L95.4Very high95.4Very high41 Ų4182.8 Ų82.822%0.21542%0.416CS..Hα-helixtrans-65.2-37.4178-74.7170.7000112.3V4 G5 Q6 L12 Y126 D130 I134V4-L8 HydrophobicContact CG1-CD1 4.3Å; V4-L8 WeakPolarHBondContact O-CG 3.44Å; V4-L8 PolarHBondContact O-N 3.31Å; G5-L8 PolarHBondContact O-N 3.22Å; Q6-L8 PolarHBondContact O-N 3.16Å; L8-L12 WeakPolarHBondContact O-CB 3.44Å; L8-L12 PolarHBondContact O-N 3.4Å; L8-Y126 HydrophobicContact CB-CD2 4.17Å; L8-Y126 HydrophobicContact CB-CE2 3.96Å; L8-D130 HydrophobicContact CD1-CB 4.04Å; L8-I134 HydrophobicContact CD1-CD1 3.27Å; L8-I134 HydrophobicContact CD1-CG1 3.68Å; L8-I134 HydrophobicContact CG-CD1 4.49Å
9Q96.2Very high95.4Very high87 Ų8779.9 Ų79.941%0.40740%0.402SS..Hα-helixtrans-65.2-45.4172-73.9177.68.400112G5 Q6 Q7 D11 L12 M13 Y126G5-Q9 WeakPolarHBondContact O-CG 3.47Å; G5-Q9 PolarHBondContact O-N 3.18Å; Q6-Q9 PolarHBondContact O-N 3.42Å; Q7-Q9 VanDerWaalsContact C-N 3.34Å; Q7-Q9 PolarHBondContact O-N 3.47Å; Q9-D11 VanDerWaalsContact C-N 3.34Å; Q9-D11 PolarHBondContact O-N 3.33Å; Q9-L12 PolarHBondContact O-N 3.49Å; Q9-M13 WeakPolarHBondContact O-CB 3.35Å; Q9-M13 VanDerWaalsContact O-CG 3.29Å; Q9-M13 WeakPolarHBondContact O-CG 3.31Å; Q9-M13 PolarHBondContact O-N 2.9Å; Q9-Y126 HydrophobicContact CG-CE2 4.17Å; Q9-Y126 WeakPolarHBondContact CG-OH 3.18Å; Q9-Y126 PolarHBondContact NE2-OH 2.99Å
10D97.3Very high95.4Very high69 Ų6983.7 Ų83.737%0.36941%0.412SS..Hα-helixtrans-62.9-41.4-179.8-71.3-10.2000111.2Q6 Q7 M13 K14Q6-D10 PolarHBondContact NE2-OD1 2.85Å; Q6-D10 WeakPolarHBondContact O-CB 3.48Å; Q6-D10 PolarHBondContact O-N 3Å; Q7-D10 PolarHBondContact O-N 3.06Å; D10-M13 PolarHBondContact O-N 3.46Å; D10-K14 WeakPolarHBondContact O-CG 3.37Å; D10-K14 PolarHBondContact O-N 3.31Å
11D96.4Very high95.3Very high61 Ų6182.7 Ų82.733%0.32641%0.413SS..Hα-helixtrans-69.2-40177.4-69.9-22.1000112.1Q7 Q9 M13 K14 V15Q7-D11 PolarHBondContact NE2-OD1 3.39Å; Q7-D11 PolarHBondContact NE2-OD2 3.33Å; Q7-D11 WeakPolarHBondContact O-CB 3.41Å; Q7-D11 PolarHBondContact O-N 3.28Å; Q9-D11 VanDerWaalsContact C-N 3.34Å; Q9-D11 PolarHBondContact O-N 3.33Å; D11-M13 VanDerWaalsContact C-N 3.33Å; D11-M13 PolarHBondContact O-N 3.36Å; D11-K14 WeakPolarHBondContact O-CB 3.41Å; D11-K14 PolarHBondContact O-N 3.05Å; D11-K14 IonicContact OD1-NZ 2.69Å; D11-K14 PolarHBondContact OD1-NZ 3.49Å; D11-V15 WeakPolarHBondContact O-CG2 3.11Å; D11-V15 PolarHBondContact O-N 3.31Å; D11-V15 VanDerWaalsContact O-N 3.14Å
12L96.9Very high95.7Very high21 Ų2181.5 Ų81.511%0.1140%0.403CS..Hα-helixtrans-60.9-43.5172.4-178.563.4000111.4L8 Q9 K14 V15 L16 V123 Y126L8-L12 WeakPolarHBondContact O-CB 3.44Å; L8-L12 PolarHBondContact O-N 3.4Å; Q9-L12 PolarHBondContact O-N 3.49Å; L12-K14 VanDerWaalsContact C-N 3.32Å; L12-K14 PolarHBondContact O-N 3.34Å; L12-V15 PolarHBondContact O-N 3.47Å; L12-L16 HydrophobicContact CG-CD1 4.29Å; L12-L16 WeakPolarHBondContact O-CG 3.39Å; L12-L16 PolarHBondContact O-N 3.37Å; L12-V123 HydrophobicContact CD1-CB 4.49Å; L12-V123 HydrophobicContact CD1-CG2 3.85Å; L12-Y126 HydrophobicContact CD2-CD1 3.65Å; L12-Y126 HydrophobicContact CD2-CD2 4.25Å; L12-Y126 HydrophobicContact CD2-CE1 4.07Å; L12-Y126 HydrophobicContact CD2-CG 3.75Å
13M96.4Very high95.8Very high99 Ų9975.1 Ų75.149%0.48838%0.377SS..Hα-helixtrans-64.4-35.5177.6-73.8-55.4-56.600112.3Q9 D10 D11 L16 N17Q9-M13 WeakPolarHBondContact O-CB 3.35Å; Q9-M13 VanDerWaalsContact O-CG 3.29Å; Q9-M13 WeakPolarHBondContact O-CG 3.31Å; Q9-M13 PolarHBondContact O-N 2.9Å; D10-M13 PolarHBondContact O-N 3.46Å; D11-M13 VanDerWaalsContact C-N 3.33Å; D11-M13 PolarHBondContact O-N 3.36Å; M13-L16 PolarHBondContact O-N 2.77Å; M13-L16 HydrophobicContact SD-CD1 4.06Å; M13-N17 WeakPolarHBondContact O-CB 3.29Å; M13-N17 PolarHBondContact O-N 3.27Å; M13-N17 PolarHBondContact O-ND2 3.14Å
14K96.6Very high95.9Very high105 Ų10573.6 Ų73.646%0.45737%0.368SS..Hα-helixtrans-61-49172.7-73169.7-160156.40111.4D10 D11 L12 L16 N17 E18D10-K14 WeakPolarHBondContact O-CG 3.37Å; D10-K14 PolarHBondContact O-N 3.31Å; D11-K14 WeakPolarHBondContact O-CB 3.41Å; D11-K14 PolarHBondContact O-N 3.05Å; D11-K14 IonicContact OD1-NZ 2.69Å; D11-K14 PolarHBondContact OD1-NZ 3.49Å; L12-K14 VanDerWaalsContact C-N 3.32Å; L12-K14 PolarHBondContact O-N 3.34Å; K14-L16 VanDerWaalsContact C-N 3.32Å; K14-L16 PolarHBondContact O-N 2.87Å; K14-N17 PolarHBondContact O-N 3.39Å; K14-N17 VanDerWaalsContact O-N 3.13Å; K14-E18 WeakPolarHBondContact O-CG 3.33Å; K14-E18 PolarHBondContact O-N 3.48Å
15V96.2Very high96Very high34 Ų3473.1 Ų73.121%0.20637%0.365CS..Hα-helixtrans-60.3-41.9179.61770000111.3D11 L12 N17 E18 L19 T119D11-V15 WeakPolarHBondContact O-CG2 3.11Å; D11-V15 PolarHBondContact O-N 3.31Å; D11-V15 VanDerWaalsContact O-N 3.14Å; L12-V15 PolarHBondContact O-N 3.47Å; V15-N17 PolarHBondContact O-N 3.19Å; V15-E18 PolarHBondContact O-N 3.39Å; V15-L19 PolarHBondContact O-N 3.43Å; V15-T119 HydrophobicContact CG1-CG2 4.15Å
16L94.8Very high96.1Very high66 Ų6674.7 Ų74.735%0.34637%0.368SS..Hα-helixtrans-63.4-40.8175.7-68.7171.8000112.5L12 M13 K14 L19 T119 V123L12-L16 HydrophobicContact CG-CD1 4.29Å; L12-L16 WeakPolarHBondContact O-CG 3.39Å; L12-L16 PolarHBondContact O-N 3.37Å; M13-L16 PolarHBondContact O-N 2.77Å; M13-L16 HydrophobicContact SD-CD1 4.06Å; K14-L16 VanDerWaalsContact C-N 3.32Å; K14-L16 PolarHBondContact O-N 2.87Å; L16-L19 PolarHBondContact O-N 2.86Å; L16-T119 HydrophobicContact CD2-CG2 3.68Å; L16-V123 HydrophobicContact CD2-CG2 4.27Å
17N95.1Very high96.2Very high104 Ų10475.3 Ų75.356%0.55637%0.37SS*.Hα-helixtrans-67.8-36.6177.2-73.9-34000112.3M13 K14 V15 Y20 S21M13-N17 WeakPolarHBondContact O-CB 3.29Å; M13-N17 PolarHBondContact O-N 3.27Å; M13-N17 PolarHBondContact O-ND2 3.14Å; K14-N17 PolarHBondContact O-N 3.39Å; K14-N17 VanDerWaalsContact O-N 3.13Å; V15-N17 PolarHBondContact O-N 3.19Å; N17-Y20 WeakPolarHBondContact O-CB 3.36Å; N17-Y20 PolarHBondContact O-N 2.86Å; N17-S21 PolarHBondContact O-N 2.96Å
18E95.3Very high96.2Very high119 Ų11975.4 Ų75.456%0.55637%0.372SS*.Hα-helixtrans-61.4-44.4175.6-75172.2-171.200111.4K14 V15 Y20 S21 V22K14-E18 WeakPolarHBondContact O-CG 3.33Å; K14-E18 PolarHBondContact O-N 3.48Å; V15-E18 PolarHBondContact O-N 3.39Å; E18-Y20 VanDerWaalsContact C-N 3.26Å; E18-Y20 PolarHBondContact O-N 3.13Å; E18-S21 WeakPolarHBondContact O-CB 3.3Å; E18-S21 PolarHBondContact O-N 3.32Å; E18-S21 PolarHBondContact O-OG 3.21Å; E18-V22 WeakPolarHBondContact O-CG2 3.24Å; E18-V22 PolarHBondContact O-N 3.05Å; E18-V22 VanDerWaalsContact O-N 3.13Å
19L96.5Very high96.3Very high28 Ų2877.4 Ų77.415%0.14738%0.377CS..Hα-helixtrans-57.1-39.2178.5-173.364.7000112.5V15 L16 S21 V22 M23 Y112 A115 L116 T119V15-L19 PolarHBondContact O-N 3.43Å; L16-L19 PolarHBondContact O-N 2.86Å; L19-S21 VanDerWaalsContact C-N 3.32Å; L19-S21 PolarHBondContact O-N 2.77Å; L19-V22 PolarHBondContact O-N 2.75Å; L19-M23 WeakPolarHBondContact O-CB 3.31Å; L19-M23 PolarHBondContact O-N 2.83Å; L19-Y112 HydrophobicContact CD1-CD2 3.85Å; L19-Y112 HydrophobicContact CD1-CE2 3.63Å; L19-Y112 HydrophobicContact CG-CE2 4.24Å; L19-A115 HydrophobicContact CD1-CB 3.93Å; L19-L116 HydrophobicContact CD1-CB 4.23Å; L19-L116 HydrophobicContact CD1-CD1 4.38Å; L19-L116 HydrophobicContact CD2-CD1 3.86Å; L19-T119 HydrophobicContact CD2-CG2 3.99Å
20Y94.3Very high96.3Very high154 Ų15475.8 Ų75.860%0.60437%0.371SS*.Hα-helixtrans-59.8-42176.7-177.6-97.5000112N17 E18 M23 K24N17-Y20 WeakPolarHBondContact O-CB 3.36Å; N17-Y20 PolarHBondContact O-N 2.86Å; E18-Y20 VanDerWaalsContact C-N 3.26Å; E18-Y20 PolarHBondContact O-N 3.13Å; Y20-M23 HydrophobicContact CD2-CE 4Å; Y20-M23 HydrophobicContact CE2-CE 4.38Å; Y20-K24 WeakPolarHBondContact O-CB 3.31Å; Y20-K24 PolarHBondContact O-N 3.08Å
21S94.3Very high96.3Very high63 Ų6375.1 Ų75.144%0.44138%0.375SS..Hα-helixtrans-68-40.4179.378.10000112.6N17 E18 L19 K24 T25N17-S21 PolarHBondContact O-N 2.96Å; E18-S21 WeakPolarHBondContact O-CB 3.3Å; E18-S21 PolarHBondContact O-N 3.32Å; E18-S21 PolarHBondContact O-OG 3.21Å; L19-S21 VanDerWaalsContact C-N 3.32Å; L19-S21 PolarHBondContact O-N 2.77Å; S21-K24 PolarHBondContact O-N 3.17Å; S21-T25 PolarHBondContact O-N 2.84Å; S21-T25 VanDerWaalsContact O-N 3.11Å; S21-T25 PolarHBondContact O-OG1 3.38Å
22V96.6Very high96.3Very high38 Ų3875.8 Ų75.823%0.2338%0.379CS..Hα-helixtrans-67.1-44.3178.4179.70000110.3E18 L19 K24 T25 Y26 E111 Y112 A115E18-V22 WeakPolarHBondContact O-CG2 3.24Å; E18-V22 PolarHBondContact O-N 3.05Å; E18-V22 VanDerWaalsContact O-N 3.13Å; L19-V22 PolarHBondContact O-N 2.75Å; V22-K24 PolarHBondContact O-N 3.01Å; V22-T25 WeakPolarHBondContact O-CB 3.41Å; V22-T25 PolarHBondContact O-N 3.03Å; V22-Y26 PolarHBondContact O-N 3.45Å; V22-E111 HydrophobicContact CG1-CB 4.35Å; V22-Y112 HydrophobicContact CG1-CD2 4.45Å; V22-A115 HydrophobicContact CB-CB 4.48Å; V22-A115 HydrophobicContact CG1-CB 4.27Å; V22-A115 HydrophobicContact CG2-CB 4.34Å
23M96.9Very high96.2Very high53 Ų5375.3 Ų75.326%0.26138%0.377SS..Hα-helixtrans-59.5-45.1175.5-177.8-178.659.800111.8L19 Y20 T25 Y26 H27 Y112L19-M23 WeakPolarHBondContact O-CB 3.31Å; L19-M23 PolarHBondContact O-N 2.83Å; Y20-M23 HydrophobicContact CD2-CE 4Å; Y20-M23 HydrophobicContact CE2-CE 4.38Å; M23-T25 VanDerWaalsContact C-N 3.3Å; M23-T25 PolarHBondContact O-N 3.1Å; M23-Y26 PolarHBondContact O-N 3.33Å; M23-H27 VanDerWaalsContact CG-CE1 3.45Å; M23-H27 WeakPolarHBondContact CG-CE1 3.49Å; M23-H27 PolarHBondContact O-N 3.39Å; M23-Y112 HydrophobicContact CB-CD2 4.11Å; M23-Y112 HydrophobicContact CB-CE2 3.89Å; M23-Y112 HydrophobicContact CG-CE2 4.22Å
24K96.6Very high96.2Very high138 Ų13874.7 Ų74.760%0.638%0.375SS*.Hα-helixtrans-59.4-41.3177-175.5178.9179.11800112Y20 S21 V22 H27 M28Y20-K24 WeakPolarHBondContact O-CB 3.31Å; Y20-K24 PolarHBondContact O-N 3.08Å; S21-K24 PolarHBondContact O-N 3.17Å; V22-K24 PolarHBondContact O-N 3.01Å; K24-H27 PolarHBondContact O-N 2.7Å; K24-M28 PolarHBondContact O-N 3.07Å
25T96.6Very high96.1Very high59 Ų5972 Ų7236%0.36237%0.369SS..Hα-helixtrans-64.8-44178-57.80000111.5S21 V22 M23 M28 Y29S21-T25 PolarHBondContact O-N 2.84Å; S21-T25 VanDerWaalsContact O-N 3.11Å; S21-T25 PolarHBondContact O-OG1 3.38Å; V22-T25 WeakPolarHBondContact O-CB 3.41Å; V22-T25 PolarHBondContact O-N 3.03Å; M23-T25 VanDerWaalsContact C-N 3.3Å; M23-T25 PolarHBondContact O-N 3.1Å; T25-M28 PolarHBondContact O-N 2.88Å; T25-Y29 HydrophobicContact CG2-CD2 3.9Å; T25-Y29 HydrophobicContact CG2-CE2 3.51Å; T25-Y29 PolarHBondContact O-N 3.02Å; T25-Y29 VanDerWaalsContact O-N 3.1Å
26Y97.8Very high96Very high47 Ų4770.8 Ų70.818%0.18436%0.363CS..Hα-helixtrans-59.7-48173.1163.5-114.8000112V22 M23 M28 Y29 N30 R109 Y112V22-Y26 PolarHBondContact O-N 3.45Å; M23-Y26 PolarHBondContact O-N 3.33Å; Y26-M28 VanDerWaalsContact C-N 3.31Å; Y26-M28 PolarHBondContact O-N 3.19Å; Y26-Y29 PolarHBondContact O-N 3.31Å; Y26-N30 HydrophobicContact CD2-CB 4.33Å; Y26-N30 HydrophobicContact CE2-CB 3.94Å; Y26-N30 WeakPolarHBondContact O-CB 3.42Å; Y26-N30 PolarHBondContact O-N 3.02Å; Y26-R109 HydrophobicContact CD2-CB 3.7Å; Y26-R109 HydrophobicContact CD2-CG 4.29Å; Y26-R109 HydrophobicContact CE2-CB 3.58Å; Y26-R109 HydrophobicContact CE2-CG 3.84Å; Y26-Y112 HydrophobicContact CD1-CD1 4.29Å
27H97.3Very high96Very high102 Ų10270.6 Ų70.647%0.47236%0.36SS..Hα-helixtrans-57.3-43.6178.8-69.9171.3000112.3M23 K24 A31M23-H27 VanDerWaalsContact CG-CE1 3.45Å; M23-H27 WeakPolarHBondContact CG-CE1 3.49Å; M23-H27 PolarHBondContact O-N 3.39Å; K24-H27 PolarHBondContact O-N 2.7Å; H27-A31 WeakPolarHBondContact O-CB 3.48Å; H27-A31 PolarHBondContact O-N 3.24Å
28M97.3Very high95.9Very high96 Ų9668.5 Ų68.547%0.47335%0.353SS..Hα-helixtrans-61.8-53.7177.7-177.5179.464.500111.8K24 T25 Y26 N30 A31 D32K24-M28 PolarHBondContact O-N 3.07Å; T25-M28 PolarHBondContact O-N 2.88Å; Y26-M28 VanDerWaalsContact C-N 3.31Å; Y26-M28 PolarHBondContact O-N 3.19Å; M28-N30 VanDerWaalsContact C-N 3.31Å; M28-N30 PolarHBondContact O-N 3.08Å; M28-A31 PolarHBondContact O-N 3.35Å; M28-D32 PolarHBondContact O-N 3.42Å
29Y97.2Very high95.8Very high82 Ų8267.8 Ų67.832%0.32235%0.349SS..Hα-helixtrans-67.8-31.2-179.1-66.7-33000113.2T25 Y26 D32 S33 K104 A108T25-Y29 HydrophobicContact CG2-CD2 3.9Å; T25-Y29 HydrophobicContact CG2-CE2 3.51Å; T25-Y29 PolarHBondContact O-N 3.02Å; T25-Y29 VanDerWaalsContact O-N 3.1Å; Y26-Y29 PolarHBondContact O-N 3.31Å; Y29-D32 PolarHBondContact O-N 3.31Å; Y29-S33 WeakPolarHBondContact O-CB 3.34Å; Y29-S33 PolarHBondContact O-N 2.84Å; Y29-K104 HydrophobicContact CD2-CB 4.38Å; Y29-K104 HydrophobicContact CG-CB 4.28Å; Y29-A108 HydrophobicContact CD2-CB 3.78Å
30N96.8Very high95.6Very high54 Ų5466.8 Ų66.829%0.28934%0.343SS..Hα-helixtrans-66.7-43.6173.6-17050.6000111.3Y26 M28 D32 S33 I34Y26-N30 HydrophobicContact CD2-CB 4.33Å; Y26-N30 HydrophobicContact CE2-CB 3.94Å; Y26-N30 WeakPolarHBondContact O-CB 3.42Å; Y26-N30 PolarHBondContact O-N 3.02Å; M28-N30 VanDerWaalsContact C-N 3.31Å; M28-N30 PolarHBondContact O-N 3.08Å; N30-D32 PolarHBondContact O-N 3.34Å; N30-S33 WeakPolarHBondContact O-CB 3.32Å; N30-S33 PolarHBondContact O-N 3.3Å; N30-I34 VanDerWaalsContact O-CG1 3.28Å; N30-I34 WeakPolarHBondContact O-CG1 3.49Å; N30-I34 PolarHBondContact O-N 2.83Å
31A96.7Very high95.5Very high55 Ų5564.6 Ų64.646%0.45534%0.337SS..Hα-helixtrans-61.7-42.9174.200000112.1H27 M28 S33 I34 S35H27-A31 WeakPolarHBondContact O-CB 3.48Å; H27-A31 PolarHBondContact O-N 3.24Å; M28-A31 PolarHBondContact O-N 3.35Å; A31-S33 VanDerWaalsContact C-N 3.32Å; A31-S33 PolarHBondContact O-N 3.26Å; A31-I34 PolarHBondContact O-N 3.22Å; A31-S35 WeakPolarHBondContact O-CB 3.33Å; A31-S35 PolarHBondContact O-N 3.08Å
32D95.8Very high95.3Very high75 Ų7566.6 Ų66.640%0.40134%0.339SS..Hα-helixtrans-63.2-37175.5-79-17.8000112.6M28 Y29 N30 A36 N101M28-D32 PolarHBondContact O-N 3.42Å; Y29-D32 PolarHBondContact O-N 3.31Å; N30-D32 PolarHBondContact O-N 3.34Å; D32-A36 VanDerWaalsContact O-CB 3.28Å; D32-A36 WeakPolarHBondContact O-CB 3.45Å; D32-A36 PolarHBondContact O-N 2.94Å; D32-N101 PolarHBondContact O-ND2 3.13Å; D32-N101 VanDerWaalsContact O-ND2 3.11Å
33S96.1Very high94.8Very high10 Ų1064.8 Ų64.87%0.0733%0.328CS..Hα-helixtrans-65.9-47.2174.2179.70000111.4Y29 N30 A31 S35 A36 Q37Y29-S33 WeakPolarHBondContact O-CB 3.34Å; Y29-S33 PolarHBondContact O-N 2.84Å; N30-S33 WeakPolarHBondContact O-CB 3.32Å; N30-S33 PolarHBondContact O-N 3.3Å; A31-S33 VanDerWaalsContact C-N 3.32Å; A31-S33 PolarHBondContact O-N 3.26Å; S33-S35 PolarHBondContact O-N 3.47Å; S33-A36 PolarHBondContact O-N 3.44Å; S33-Q37 WeakPolarHBondContact O-CB 3.44Å; S33-Q37 PolarHBondContact O-N 3.11Å
34I95.6Very high94.3Very high86 Ų8665.2 Ų65.244%0.44133%0.33SS..Hα-helixtrans-61.1-45.4176.6-67.4165.5000110.5N30 A31 A36 Q37 S38N30-I34 VanDerWaalsContact O-CG1 3.28Å; N30-I34 WeakPolarHBondContact O-CG1 3.49Å; N30-I34 PolarHBondContact O-N 2.83Å; A31-I34 PolarHBondContact O-N 3.22Å; I34-A36 PolarHBondContact O-N 3.44Å; I34-Q37 WeakPolarHBondContact O-CB 3.46Å; I34-Q37 PolarHBondContact O-N 2.88Å; I34-S38 PolarHBondContact O-N 3.31Å; I34-S38 PolarHBondContact O-OG 3.2Å
35S95.1Very high93.8Very high49 Ų4965.1 Ų65.134%0.34333%0.329SS..Hα-helixtrans-61.9-43.6176.9-173.50000112.2A31 S33 Q37 S38 K39A31-S35 WeakPolarHBondContact O-CB 3.33Å; A31-S35 PolarHBondContact O-N 3.08Å; S33-S35 PolarHBondContact O-N 3.47Å; S35-Q37 VanDerWaalsContact C-N 3.33Å; S35-S38 PolarHBondContact O-N 3.24Å; S35-K39 WeakPolarHBondContact O-CG 3.41Å; S35-K39 PolarHBondContact O-N 3.46Å; S35-K39 VanDerWaalsContact O-N 3.1Å; S35-K39 PolarHBondContact OG-NZ 3.47Å
36A93.5Very high93.1Very high8 Ų866.5 Ų66.57%0.06633%0.332CS..Hα-helixtrans-64.2-38.6176.200000111.8D32 S33 I34 K39 L40 N101D32-A36 VanDerWaalsContact O-CB 3.28Å; D32-A36 WeakPolarHBondContact O-CB 3.45Å; D32-A36 PolarHBondContact O-N 2.94Å; S33-A36 PolarHBondContact O-N 3.44Å; I34-A36 PolarHBondContact O-N 3.44Å; A36-K39 PolarHBondContact O-N 3.16Å; A36-L40 WeakPolarHBondContact O-CB 3.43Å; A36-L40 PolarHBondContact O-N 3.15Å; A36-N101 HydrophobicContact CB-CB 4.46Å
37Q94.2Very high92.3Very high63 Ų6365.5 Ų65.529%0.29433%0.329SS..Hα-helixtrans-64.4-43.8175.8-166.5-177.319.500112S33 I34 S35 K39 L40 K41 Y98S33-Q37 WeakPolarHBondContact O-CB 3.44Å; S33-Q37 PolarHBondContact O-N 3.11Å; I34-Q37 WeakPolarHBondContact O-CB 3.46Å; I34-Q37 PolarHBondContact O-N 2.88Å; S35-Q37 VanDerWaalsContact C-N 3.33Å; Q37-K39 PolarHBondContact O-N 3.01Å; Q37-L40 PolarHBondContact O-N 3.21Å; Q37-K41 WeakPolarHBondContact O-CG 3.21Å; Q37-K41 PolarHBondContact O-N 2.94Å; Q37-Y98 HydrophobicContact CB-CD2 3.73Å; Q37-Y98 HydrophobicContact CB-CE2 3.64Å; Q37-Y98 HydrophobicContact CG-CD2 4.18Å; Q37-Y98 HydrophobicContact CG-CE2 3.73Å
38S94.1Very high91.4Very high59 Ų5967.1 Ų67.141%0.41334%0.337SS..Hα-helixtrans-60.3-45.6175.7-66.20000111.5I34 S35 L40 K41 E42I34-S38 PolarHBondContact O-N 3.31Å; I34-S38 PolarHBondContact O-OG 3.2Å; S35-S38 PolarHBondContact O-N 3.24Å; S38-L40 VanDerWaalsContact C-N 3.35Å; S38-L40 PolarHBondContact O-N 2.72Å; S38-K41 PolarHBondContact O-N 2.94Å; S38-E42 WeakPolarHBondContact O-CG 3.47Å; S38-E42 PolarHBondContact O-N 3.06Å
39K93.3Very high90.4Very high105 Ų10569.8 Ų69.846%0.45735%0.345SS..Hα-helixtrans-62.9-39.3175.8-71.3166.8-178.1154.80112.1S35 A36 Q37 E42 A43 R94S35-K39 WeakPolarHBondContact O-CG 3.41Å; S35-K39 PolarHBondContact O-N 3.46Å; S35-K39 VanDerWaalsContact O-N 3.1Å; S35-K39 PolarHBondContact OG-NZ 3.47Å; A36-K39 PolarHBondContact O-N 3.16Å; Q37-K39 PolarHBondContact O-N 3.01Å; K39-E42 PolarHBondContact O-N 3.07Å; K39-A43 PolarHBondContact O-N 3.08Å; K39-A43 VanDerWaalsContact O-N 3.08Å; K39-R94 VanDerWaalsContact O-CD 3.3Å; K39-R94 WeakPolarHBondContact O-CD 3.33Å; K39-R94 PolarHBondContact O-NH1 3.34Å
40L91.8Very high88.9Confident6 Ų669.1 Ų69.13%0.03135%0.345CS..Hα-helixtrans-62.2-50.5175.2173.862.6000110.9A36 Q37 S38 E42 A43 E44 K91 R94 Q95 Y98A36-L40 WeakPolarHBondContact O-CB 3.43Å; A36-L40 PolarHBondContact O-N 3.15Å; Q37-L40 PolarHBondContact O-N 3.21Å; S38-L40 VanDerWaalsContact C-N 3.35Å; S38-L40 PolarHBondContact O-N 2.72Å; L40-E42 VanDerWaalsContact C-N 3.27Å; L40-E42 PolarHBondContact O-N 3.33Å; L40-A43 WeakPolarHBondContact O-CA 3.47Å; L40-A43 WeakPolarHBondContact O-CB 3.32Å; L40-A43 PolarHBondContact O-N 3.29Å; L40-E44 HydrophobicContact CD1-CG 4.33Å; L40-E44 WeakPolarHBondContact O-CG 3.36Å; L40-E44 PolarHBondContact O-N 3.46Å; L40-K91 HydrophobicContact CD1-CG 4.11Å; L40-R94 HydrophobicContact CB-CB 4.36Å; L40-R94 HydrophobicContact CD1-CB 4.15Å; L40-Q95 HydrophobicContact CD1-CB 4.04Å; L40-Y98 HydrophobicContact CD2-CD1 3.65Å; L40-Y98 HydrophobicContact CD2-CE1 4.32Å; L40-Y98 HydrophobicContact CD2-CG 3.99Å
41K91.6Very high87.4Confident108 Ų10870.4 Ų70.447%0.4735%0.351SS..Hα-helixtrans-58.1-37.2176.9-74.5-178.7177.1-179.60112.9Q37 S38 E44 K45Q37-K41 WeakPolarHBondContact O-CG 3.21Å; Q37-K41 PolarHBondContact O-N 2.94Å; S38-K41 PolarHBondContact O-N 2.94Å; K41-E44 WeakPolarHBondContact CA-OE2 3.29Å; K41-K45 WeakPolarHBondContact O-CG 3.48Å; K41-K45 PolarHBondContact O-N 3.4Å
42E90.1Very high85.6Confident106 Ų10669.5 Ų69.550%0.49535%0.347SS..Hα-helixtrans-65.5-40.5173.3-75.8173-170.400112.6S38 K39 L40 K45 Q46S38-E42 WeakPolarHBondContact O-CG 3.47Å; S38-E42 PolarHBondContact O-N 3.06Å; K39-E42 PolarHBondContact O-N 3.07Å; L40-E42 VanDerWaalsContact C-N 3.27Å; L40-E42 PolarHBondContact O-N 3.33Å; E42-K45 PolarHBondContact O-N 3.39Å; E42-Q46 VanDerWaalsContact O-CG 3.3Å; E42-Q46 WeakPolarHBondContact O-CG 3.48Å; E42-Q46 PolarHBondContact O-N 3.05Å
43A86.8Confident83.6Confident0 Ų073.6 Ų73.60%036%0.362CS..Hα-helixtrans-68.8-38.6176.900000112K39 L40 Q46 E47 K91K39-A43 PolarHBondContact O-N 3.08Å; K39-A43 VanDerWaalsContact O-N 3.08Å; L40-A43 WeakPolarHBondContact O-CA 3.47Å; L40-A43 WeakPolarHBondContact O-CB 3.32Å; L40-A43 PolarHBondContact O-N 3.29Å; A43-Q46 PolarHBondContact O-N 2.96Å; A43-E47 WeakPolarHBondContact O-CB 3.47Å; A43-E47 PolarHBondContact O-N 3.16Å; A43-K91 HydrophobicContact CB-CB 4.32Å
44E85.9Confident81.5Confident62 Ų6276.4 Ų76.429%0.2938%0.381SS..Hα-helixtrans-58.7-47.6171.9-71172153.700111L40 K41 Q46 E47 E48 K91L40-E44 HydrophobicContact CD1-CG 4.33Å; L40-E44 WeakPolarHBondContact O-CG 3.36Å; L40-E44 PolarHBondContact O-N 3.46Å; K41-E44 WeakPolarHBondContact CA-OE2 3.29Å; E44-Q46 VanDerWaalsContact C-N 3.3Å; E44-Q46 PolarHBondContact O-N 2.89Å; E44-E47 WeakPolarHBondContact O-CB 3.3Å; E44-E47 PolarHBondContact O-N 2.89Å; E44-E48 WeakPolarHBondContact O-CG 3.23Å; E44-E48 PolarHBondContact O-N 3.37Å; E44-K91 HydrophobicContact CG-CD 4.08Å; E44-K91 HydrophobicContact CG-CG 4.39Å
45K86.1Confident79.4Confident136 Ų13676.8 Ų76.859%0.59139%0.387SS*.Hα-helixtrans-62.2-33.5174.4-74.4178.5179-176.30113.4K41 E42 K49K41-K45 WeakPolarHBondContact O-CG 3.48Å; K41-K45 PolarHBondContact O-N 3.4Å; E42-K45 PolarHBondContact O-N 3.39Å; K45-K49 WeakPolarHBondContact O-CB 3.43Å; K45-K49 VanDerWaalsContact O-CG 3.3Å; K45-K49 WeakPolarHBondContact O-CG 3.15Å; K45-K49 PolarHBondContact O-N 3.31Å; K45-K49 VanDerWaalsContact O-N 3.15Å
46Q82.1Confident77.4Confident88 Ų8883.5 Ų83.541%0.41141%0.41SS..Hα-helixtrans-73.8-37.4177.2-76.1177.811.600112.3E42 A43 E44 K49 Q50E42-Q46 VanDerWaalsContact O-CG 3.3Å; E42-Q46 WeakPolarHBondContact O-CG 3.48Å; E42-Q46 PolarHBondContact O-N 3.05Å; A43-Q46 PolarHBondContact O-N 2.96Å; E44-Q46 VanDerWaalsContact C-N 3.3Å; E44-Q46 PolarHBondContact O-N 2.89Å; Q46-K49 PolarHBondContact O-N 3.12Å; Q46-Q50 PolarHBondContact O-N 3.45Å
47E80.2Confident75.2Confident25 Ų2589.2 Ų89.212%0.11744%0.436CS..Hα-helixtrans-62.7-50.6173.3-175.6-176.7-134.400110.6A43 E44 K49 Q50 I51 I87 K91A43-E47 WeakPolarHBondContact O-CB 3.47Å; A43-E47 PolarHBondContact O-N 3.16Å; E44-E47 WeakPolarHBondContact O-CB 3.3Å; E44-E47 PolarHBondContact O-N 2.89Å; E47-K49 VanDerWaalsContact C-N 3.28Å; E47-K49 PolarHBondContact O-N 2.83Å; E47-Q50 PolarHBondContact O-N 3.06Å; E47-Q50 VanDerWaalsContact O-N 3.1Å; E47-I51 HydrophobicContact CG-CD1 3.64Å; E47-I51 HydrophobicContact CG-CG1 4.41Å; E47-I51 WeakPolarHBondContact O-CB 3.25Å; E47-I51 WeakPolarHBondContact O-CG1 3.38Å; E47-I51 PolarHBondContact O-N 3.14Å; E47-I87 HydrophobicContact CB-CG2 3.91Å; E47-K91 IonicContact OE1-NZ 3.74Å; E47-K91 WeakPolarHBondContact OE2-CD 3.25Å; E47-K91 WeakPolarHBondContact OE2-CE 3.2Å; E47-K91 IonicContact OE2-NZ 3.49Å; E47-K91 PolarHBondContact OE2-NZ 3.42Å
48E78.6Confident73Confident137 Ų13793.8 Ų93.864%0.6446%0.457SS*.Hα-helixtrans-56.7-39.9174.8-72.6175.2179.500112.2E44 G52E44-E48 WeakPolarHBondContact O-CG 3.23Å; E44-E48 PolarHBondContact O-N 3.37Å; E48-G52 WeakPolarHBondContact O-CA 3.49Å; E48-G52 PolarHBondContact O-N 2.91Å
49K76.2Confident70.7Confident151 Ų15198.4 Ų98.466%0.65748%0.477SS*.Hα-helixtrans-66.9-35.8176.1-81.8178.7-179.7-178.80113.5K45 Q46 E47 K53K45-K49 WeakPolarHBondContact O-CB 3.43Å; K45-K49 VanDerWaalsContact O-CG 3.3Å; K45-K49 WeakPolarHBondContact O-CG 3.15Å; K45-K49 PolarHBondContact O-N 3.31Å; K45-K49 VanDerWaalsContact O-N 3.15Å; Q46-K49 PolarHBondContact O-N 3.12Å; E47-K49 VanDerWaalsContact C-N 3.28Å; E47-K49 PolarHBondContact O-N 2.83Å; K49-K53 WeakPolarHBondContact O-CG 3.33Å; K49-K53 PolarHBondContact O-N 2.93Å
50Q67.6Low68.5Low69 Ų69104.1 Ų104.132%0.32250%0.496SS..Hα-helixtrans-81.2-36.9178.7-82-168.81.900112.7Q46 E47 K53 S54 I87Q46-Q50 PolarHBondContact O-N 3.45Å; E47-Q50 PolarHBondContact O-N 3.06Å; E47-Q50 VanDerWaalsContact O-N 3.1Å; Q50-K53 PolarHBondContact O-N 3.23Å; Q50-S54 PolarHBondContact O-N 3.43Å; Q50-I87 HydrophobicContact CG-CD1 4.1Å
51I64.4Low66.1Low80 Ų80112.2 Ų112.241%0.4153%0.533SS..Hα-helixtrans-66.9-43.5173.1-62.8172.6000109.8E47 K53 S54 V55 V84E47-I51 HydrophobicContact CG-CD1 3.64Å; E47-I51 HydrophobicContact CG-CG1 4.41Å; E47-I51 WeakPolarHBondContact O-CB 3.25Å; E47-I51 WeakPolarHBondContact O-CG1 3.38Å; E47-I51 PolarHBondContact O-N 3.14Å; I51-K53 VanDerWaalsContact C-N 3.34Å; I51-K53 PolarHBondContact O-N 2.92Å; I51-S54 VanDerWaalsContact O-CB 3.28Å; I51-S54 WeakPolarHBondContact O-CB 3.31Å; I51-S54 PolarHBondContact O-N 2.95Å; I51-V55 PolarHBondContact O-N 3.32Å; I51-V84 HydrophobicContact CG1-CG1 4.42Å
52G58.5Low63.9Low36 Ų36113.5 Ų113.537%0.37155%0.55SS.*Hα-helixtrans-65.8-27.7176.700000115E48E48-G52 WeakPolarHBondContact O-CA 3.49Å; E48-G52 PolarHBondContact O-N 2.91Å
53K55.1Low61.8Low162 Ų162114.2 Ų114.270%0.70456%0.564SS**Hα-helixtrans-72.9-28.6169.5-81.8-179.8179.4-173.30112.6K49 Q50 I51K49-K53 WeakPolarHBondContact O-CG 3.33Å; K49-K53 PolarHBondContact O-N 2.93Å; Q50-K53 PolarHBondContact O-N 3.23Å; I51-K53 VanDerWaalsContact C-N 3.34Å; I51-K53 PolarHBondContact O-N 2.92Å
54S50.8Low59.4Low68 Ų68126.1 Ų126.148%0.47661%0.609SS.*Hα-helixtrans-71.9-33.6178.4-130.20000112.3Q50 I51Q50-S54 PolarHBondContact O-N 3.43Å; I51-S54 VanDerWaalsContact O-CB 3.28Å; I51-S54 WeakPolarHBondContact O-CB 3.31Å; I51-S54 PolarHBondContact O-N 2.95Å
55V52.4Low57.3Low95 Ų95128.7 Ų128.758%0.57663%0.634SS**Hα-helixtrans-76.9-35.7179.5179.20000112.3I51 Q57I51-V55 PolarHBondContact O-N 3.32Å; V55-Q57 VanDerWaalsContact C-N 3.26Å; V55-Q57 PolarHBondContact O-N 2.84Å
56K51.5Low55.6Low189 Ų189127.7 Ų127.782%0.82264%0.641SS**THydrogen-bonded Turntrans-71.9-7.5-176.7-76.6-172.8176.4-174.90115.7
57Q47.2Very low53.3Low129 Ų129131.5 Ų131.560%0.60367%0.665SS**THydrogen-bonded Turntrans-104.9-8-178.7-144.4174.529.600113.9V55V55-Q57 VanDerWaalsContact C-N 3.26Å; V55-Q57 PolarHBondContact O-N 2.84Å
58E48.1Very low51.6Low159 Ų159135.4 Ų135.474%0.74370%0.695SS**THydrogen-bonded Turntrans-80.2-15.3176.3-79.7-168.6148.800113.9R60E58-R60 PolarHBondContact O-N 3.31Å
59D46.2Very low50.1Low155 Ų155134.2 Ų134.283%0.82970%0.697SS**THydrogen-bonded Turntrans-88.712.9-176.7-92-23.2000116
60R48.1Very low48.7Very low226 Ų226130.7 Ų130.785%0.85370%0.696SS**  trans-132.486.9172.7-86.9-174.2171.6-179.8-2111.8E58E58-R60 PolarHBondContact O-N 3.31Å
61Q40.8Very low47.8Very low175 Ų175133.9 Ų133.982%0.81872%0.715SS**  175.1130121.2-93.5161.817.400113.4
62T44.7Very low47.2Very low135 Ų135135.2 Ų135.283%0.82873%0.727SS**  trans-73.8164.6172.834.70000113.2
63P46.1Very low46.9Very low122 Ų122142.3 Ų142.379%0.79274%0.743SS**  trans-89.3132.2-163.833.3-31.2000113.1
64R37.9Very low46.8Very low249 Ų249140.2 Ų140.294%0.9474%0.738SS**  trans-142135.3150.1-79.3-164.3174.9160.8-1.4111.4
65S40.2Very low46.9Very low117 Ų117143.8 Ų143.882%0.81875%0.747SS**  trans-68.5178.9-175.9-39.10000113.6
66P51.3Low46.7Very low114 Ų114144.5 Ų144.574%0.7474%0.744SS**  -115.1121.9-90.230.9-14000110.4
67D33.8Very low46.7Very low168 Ų168142.8 Ų142.890%0.89874%0.737SS**  trans-166.6139.5155.4-106.1-26.7000112.6
68S43.7Very low47.2Very low107 Ų107143.5 Ų143.575%0.74874%0.739SS**SBendtrans61.2136.4158.9-132.60000120.8
69T47.7Very low47.5Very low112 Ų112140.4 Ų140.469%0.68773%0.732SS**  trans92.96817472.80000118.6
70A45.9Very low48Very low77 Ų77138 Ų13864%0.63671%0.711SS**  trans-89.8-16.517100000115.1
71N48.6Very low48.5Very low136 Ų136136.1 Ų136.173%0.72770%0.704SS**SBendtrans-92-21.2-170.2-74-17.1000115.8
72V52.4Low49.6Very low108 Ų108131 Ų13166%0.65569%0.688SS**Hα-helixtrans-85.6-24.3-178.8-178.90000112.7I74V72-I74 PolarHBondContact O-N 3.12Å
73R51.9Low50.6Low186 Ų186126.6 Ų126.670%0.70266%0.662SS**Hα-helixtrans-76.1-19.7-179.1-91.3178.2170.2176.3-2.6114.7
74I54.3Low51.9Low117 Ų117122.7 Ų122.760%0.664%0.636SS**Hα-helixtrans-83.3-39.8-177.8-62.3175.2000110.9V72 H78V72-I74 PolarHBondContact O-N 3.12Å; I74-H78 WeakPolarHBondContact O-CB 3.25Å; I74-H78 PolarHBondContact O-N 3.38Å
75E51.3Low53.7Low144 Ų144117.3 Ų117.367%0.67362%0.619SS**Hα-helixtrans-65.2-42.8178.9-75.8-173.4150.300112.4K77 H78 V79E75-K77 PolarHBondContact O-N 3.15Å; E75-H78 PolarHBondContact O-N 3.43Å; E75-V79 VanDerWaalsContact O-CG2 3.27Å; E75-V79 WeakPolarHBondContact O-CG2 3.22Å; E75-V79 PolarHBondContact O-N 3.1Å
76E49.8Very low55.6Low110 Ų110119.2 Ų119.251%0.51461%0.613SS.*Hα-helixtrans-67.6-36.8180-119.5-163.5144.600113.2R80E76-R80 VanDerWaalsContact O-CG 3.3Å; E76-R80 WeakPolarHBondContact O-CG 3.14Å; E76-R80 PolarHBondContact O-N 3.29Å; E76-R80 IonicContact OE1-CZ 3.65Å; E76-R80 IonicContact OE1-NE 3.95Å; E76-R80 IonicContact OE1-NH2 2.72Å; E76-R80 PolarHBondContact OE1-NH2 3.18Å; E76-R80 IonicContact OE2-NH2 3.81Å
77K51.5Low56.9Low153 Ų153114.6 Ų114.667%0.66558%0.582SS**Hα-helixtrans-67.9-37.1173.5-105.3-178.2174.6-1790111.7E75 R81E75-K77 PolarHBondContact O-N 3.15Å; K77-R81 WeakPolarHBondContact O-CB 3.33Å; K77-R81 PolarHBondContact O-N 3.08Å
78H56.5Low59.2Low143 Ų143111.6 Ų111.666%0.66256%0.562SS**Hα-helixtrans-71.1-41.4179.2-160.1-97.3000111.9I74 E75 R81 S82I74-H78 WeakPolarHBondContact O-CB 3.25Å; I74-H78 PolarHBondContact O-N 3.38Å; E75-H78 PolarHBondContact O-N 3.43Å; H78-R81 PolarHBondContact O-N 2.97Å; H78-S82 WeakPolarHBondContact O-CB 3.44Å; H78-S82 PolarHBondContact O-N 3.39Å
79V55.7Low61.1Low95 Ų95114 Ų11458%0.57656%0.559SS**Hα-helixtrans-63.2-41.6175.4173.90000111.4E75 S82 S83E75-V79 VanDerWaalsContact O-CG2 3.27Å; E75-V79 WeakPolarHBondContact O-CG2 3.22Å; E75-V79 PolarHBondContact O-N 3.1Å; V79-S82 PolarHBondContact O-N 3.01Å; V79-S82 PolarHBondContact O-OG 2.88Å; V79-S83 PolarHBondContact O-N 2.89Å; V79-S83 VanDerWaalsContact O-N 3.17Å
80R55.3Low62.9Low103 Ų103111.8 Ų111.839%0.38954%0.542SS..Hα-helixtrans-72.3-36.6177.9-67.8175.1-168-177.55113.8E76 S82 S83 V84E76-R80 VanDerWaalsContact O-CG 3.3Å; E76-R80 WeakPolarHBondContact O-CG 3.14Å; E76-R80 PolarHBondContact O-N 3.29Å; E76-R80 IonicContact OE1-CZ 3.65Å; E76-R80 IonicContact OE1-NE 3.95Å; E76-R80 IonicContact OE1-NH2 2.72Å; E76-R80 PolarHBondContact OE1-NH2 3.18Å; E76-R80 IonicContact OE2-NH2 3.81Å; R80-S82 VanDerWaalsContact C-N 3.26Å; R80-S82 PolarHBondContact O-N 3.45Å; R80-S83 PolarHBondContact O-N 3.41Å; R80-S83 PolarHBondContact O-OG 3.29Å; R80-V84 PolarHBondContact O-N 3.25Å
81R60.1Low64.9Low187 Ų187110.9 Ų110.971%0.70652%0.524SS*.Hα-helixtrans-67.2-29173.2-153.7176.9-165.7-176.64.6111.8K77 H78 K85K77-R81 WeakPolarHBondContact O-CB 3.33Å; K77-R81 PolarHBondContact O-N 3.08Å; H78-R81 PolarHBondContact O-N 2.97Å; R81-K85 WeakPolarHBondContact O-CG 3.2Å; R81-K85 PolarHBondContact O-N 3.23Å
82S63.3Low66.8Low69 Ų69110.9 Ų110.948%0.48352%0.519SS..Hα-helixtrans-72.5-34.617485.20000113.2H78 V79 R80 K86H78-S82 WeakPolarHBondContact O-CB 3.44Å; H78-S82 PolarHBondContact O-N 3.39Å; V79-S82 PolarHBondContact O-N 3.01Å; V79-S82 PolarHBondContact O-OG 2.88Å; R80-S82 VanDerWaalsContact C-N 3.26Å; R80-S82 PolarHBondContact O-N 3.45Å; S82-K86 WeakPolarHBondContact O-CB 3.39Å; S82-K86 PolarHBondContact O-N 3.43Å; S82-K86 VanDerWaalsContact O-N 3.16Å
83S66.1Low68.6Low42 Ų42113.9 Ų113.929%0.29452%0.523SS..Hα-helixtrans-73.2-39.8179670000112.6V79 R80 K86 I87V79-S83 PolarHBondContact O-N 2.89Å; V79-S83 VanDerWaalsContact O-N 3.17Å; R80-S83 PolarHBondContact O-N 3.41Å; R80-S83 PolarHBondContact O-OG 3.29Å; S83-K86 WeakPolarHBondContact O-CB 3.4Å; S83-K86 PolarHBondContact O-N 2.88Å; S83-I87 PolarHBondContact O-N 2.98Å; S83-I87 VanDerWaalsContact O-N 3.07Å
84V72.4Confident70.5Confident40 Ų40108.2 Ų108.224%0.24250%0.502CS..Hα-helixtrans-62.8-48.3176.11760000111I51 R80 K86 I87 E88I51-V84 HydrophobicContact CG1-CG1 4.42Å; R80-V84 PolarHBondContact O-N 3.25Å; V84-K86 PolarHBondContact O-N 2.78Å; V84-I87 PolarHBondContact O-N 3Å; V84-I87 VanDerWaalsContact O-N 3.11Å; V84-E88 WeakPolarHBondContact O-CB 3.44Å; V84-E88 PolarHBondContact O-N 3.26Å
85K76.8Confident72.3Confident136 Ų136106 Ų10659%0.59149%0.489SS*.Hα-helixtrans-59-32.4174.4-76.6-175.3174.7-172.50113.2R81 K89R81-K85 WeakPolarHBondContact O-CG 3.2Å; R81-K85 PolarHBondContact O-N 3.23Å; K85-K89 WeakPolarHBondContact O-CB 3.28Å; K85-K89 PolarHBondContact O-N 3.36Å; K85-K89 VanDerWaalsContact O-N 3.08Å
86K79.9Confident74.3Confident157 Ų157102 Ų10268%0.68348%0.481SS*.Hα-helixtrans-71.1-37177.1-170.1176.4-178.7178.50112S82 S83 V84 M90S82-K86 WeakPolarHBondContact O-CB 3.39Å; S82-K86 PolarHBondContact O-N 3.43Å; S82-K86 VanDerWaalsContact O-N 3.16Å; S83-K86 WeakPolarHBondContact O-CB 3.4Å; S83-K86 PolarHBondContact O-N 2.88Å; V84-K86 PolarHBondContact O-N 2.78Å; K86-M90 WeakPolarHBondContact O-CB 3.38Å; K86-M90 PolarHBondContact O-N 3.5Å; K86-M90 VanDerWaalsContact O-N 3.11Å
87I78.2Confident76.3Confident17 Ų17103 Ų1039%0.08748%0.483CS..Hα-helixtrans-73.9-40.5175.2-64.3-163.1000111.3E47 Q50 S83 V84 K89 M90 K91E47-I87 HydrophobicContact CB-CG2 3.91Å; Q50-I87 HydrophobicContact CG-CD1 4.1Å; S83-I87 PolarHBondContact O-N 2.98Å; S83-I87 VanDerWaalsContact O-N 3.07Å; V84-I87 PolarHBondContact O-N 3Å; V84-I87 VanDerWaalsContact O-N 3.11Å; I87-K89 PolarHBondContact O-N 2.98Å; I87-M90 CarbonylContact O-C 3.56Å; I87-M90 WeakPolarHBondContact O-CA 3.3Å; I87-M90 WeakPolarHBondContact O-CB 3.32Å; I87-M90 PolarHBondContact O-N 2.84Å; I87-K91 PolarHBondContact O-N 3.13Å
88E81Confident78.4Confident104 Ų10497.1 Ų97.149%0.48646%0.457SS..Hα-helixtrans-58.3-48.2175.3-171.2176-165.500111V84 M90 K91 E92V84-E88 WeakPolarHBondContact O-CB 3.44Å; V84-E88 PolarHBondContact O-N 3.26Å; E88-M90 VanDerWaalsContact C-N 3.29Å; E88-M90 PolarHBondContact O-N 3.36Å; E88-K91 WeakPolarHBondContact O-CB 3.12Å; E88-K91 PolarHBondContact O-N 3.06Å; E88-E92 WeakPolarHBondContact O-CB 3.03Å; E88-E92 PolarHBondContact O-N 3.13Å
89K84.6Confident80.2Confident157 Ų15794 Ų9468%0.68345%0.448SS*.Hα-helixtrans-63-32.6173.3-169.4173.1-175.9173.40113.1K85 I87 K93K85-K89 WeakPolarHBondContact O-CB 3.28Å; K85-K89 PolarHBondContact O-N 3.36Å; K85-K89 VanDerWaalsContact O-N 3.08Å; I87-K89 PolarHBondContact O-N 2.98Å; K89-K93 WeakPolarHBondContact O-CB 3.1Å; K89-K93 PolarHBondContact O-N 3.35Å; K89-K93 VanDerWaalsContact O-N 3.1Å
90M85.6Confident82Confident67 Ų6794.2 Ų94.233%0.3344%0.443SS..Hα-helixtrans-69-42.6174.7-172.2-169.6-58.600111.4K86 I87 E88 K93 R94K86-M90 WeakPolarHBondContact O-CB 3.38Å; K86-M90 PolarHBondContact O-N 3.5Å; K86-M90 VanDerWaalsContact O-N 3.11Å; I87-M90 CarbonylContact O-C 3.56Å; I87-M90 WeakPolarHBondContact O-CA 3.3Å; I87-M90 WeakPolarHBondContact O-CB 3.32Å; I87-M90 PolarHBondContact O-N 2.84Å; E88-M90 VanDerWaalsContact C-N 3.29Å; E88-M90 PolarHBondContact O-N 3.36Å; M90-K93 PolarHBondContact O-N 2.69Å; M90-R94 WeakPolarHBondContact O-CG 3.24Å; M90-R94 PolarHBondContact O-N 3.28Å
91K87.3Confident84Confident58 Ų5890.3 Ų90.325%0.25243%0.43SS..Hα-helixtrans-63-48.3174.6173.2-175.2167-1730110.8L40 A43 E44 E47 I87 E88 K93 R94 Q95L40-K91 HydrophobicContact CD1-CG 4.11Å; A43-K91 HydrophobicContact CB-CB 4.32Å; E44-K91 HydrophobicContact CG-CD 4.08Å; E44-K91 HydrophobicContact CG-CG 4.39Å; E47-K91 IonicContact OE1-NZ 3.74Å; E47-K91 WeakPolarHBondContact OE2-CD 3.25Å; E47-K91 WeakPolarHBondContact OE2-CE 3.2Å; E47-K91 IonicContact OE2-NZ 3.49Å; E47-K91 PolarHBondContact OE2-NZ 3.42Å; I87-K91 PolarHBondContact O-N 3.13Å; E88-K91 WeakPolarHBondContact O-CB 3.12Å; E88-K91 PolarHBondContact O-N 3.06Å; K91-K93 VanDerWaalsContact C-N 3.3Å; K91-K93 PolarHBondContact O-N 3.38Å; K91-R94 CarbonylContact O-C 3.5Å; K91-R94 WeakPolarHBondContact O-CA 3.47Å; K91-R94 PolarHBondContact O-N 3.35Å; K91-Q95 WeakPolarHBondContact O-CB 3.46Å; K91-Q95 PolarHBondContact O-N 3.35Å
92E88.9Confident85.6Confident136 Ų13685.7 Ų85.764%0.63642%0.415SS*.Hα-helixtrans-57.4-43.4177.9-170.1-176.3-170.300111.5E88 R94 Q95 A96E88-E92 WeakPolarHBondContact O-CB 3.03Å; E88-E92 PolarHBondContact O-N 3.13Å; E92-R94 PolarHBondContact O-N 2.84Å; E92-Q95 WeakPolarHBondContact O-CB 3.38Å; E92-Q95 PolarHBondContact O-N 2.93Å; E92-A96 PolarHBondContact O-N 2.85Å
93K90.9Very high87.2Confident170 Ų17086.8 Ų86.874%0.73942%0.415SS*.Hα-helixtrans-62.6-39.2173.7-172176.8-178.1177.40112.7K89 M90 K91 K97K89-K93 WeakPolarHBondContact O-CB 3.1Å; K89-K93 PolarHBondContact O-N 3.35Å; K89-K93 VanDerWaalsContact O-N 3.1Å; M90-K93 PolarHBondContact O-N 2.69Å; K91-K93 VanDerWaalsContact C-N 3.3Å; K91-K93 PolarHBondContact O-N 3.38Å; K93-K97 WeakPolarHBondContact O-CB 3.24Å; K93-K97 PolarHBondContact O-N 2.84Å
94R91.6Very high88.6Confident68 Ų6888.7 Ų88.726%0.25742%0.418SS..Hα-helixtrans-70.8-34.2175.5-72-179.8-173.9-1673.3111.8K39 L40 M90 K91 E92 K97 Y98K39-R94 VanDerWaalsContact O-CD 3.3Å; K39-R94 WeakPolarHBondContact O-CD 3.33Å; K39-R94 PolarHBondContact O-NH1 3.34Å; L40-R94 HydrophobicContact CB-CB 4.36Å; L40-R94 HydrophobicContact CD1-CB 4.15Å; M90-R94 WeakPolarHBondContact O-CG 3.24Å; M90-R94 PolarHBondContact O-N 3.28Å; K91-R94 CarbonylContact O-C 3.5Å; K91-R94 WeakPolarHBondContact O-CA 3.47Å; K91-R94 PolarHBondContact O-N 3.35Å; E92-R94 PolarHBondContact O-N 2.84Å; R94-K97 PolarHBondContact O-N 2.82Å; R94-Y98 WeakPolarHBondContact O-CB 3.39Å; R94-Y98 PolarHBondContact O-N 3.29Å
95Q91.8Very high89.7Confident70 Ų7087.1 Ų87.133%0.32741%0.409SS..Hα-helixtrans-65.1-49.2175.6-178.965.848.200110.6L40 K91 E92 K97 Y98 T99L40-Q95 HydrophobicContact CD1-CB 4.04Å; K91-Q95 WeakPolarHBondContact O-CB 3.46Å; K91-Q95 PolarHBondContact O-N 3.35Å; E92-Q95 WeakPolarHBondContact O-CB 3.38Å; E92-Q95 PolarHBondContact O-N 2.93Å; Q95-K97 VanDerWaalsContact C-N 3.33Å; Q95-K97 PolarHBondContact O-N 3.17Å; Q95-Y98 PolarHBondContact O-N 3.12Å; Q95-T99 PolarHBondContact O-N 3.16Å; Q95-T99 PolarHBondContact O-OG1 3.5Å; Q95-T99 VanDerWaalsContact O-OG1 3.09Å
96A92.2Very high90.7Very high61 Ų6183.6 Ų83.650%0.50440%0.396SS..Hα-helixtrans-58.3-45.3175.800000111.6E92 T99 E100E92-A96 PolarHBondContact O-N 2.85Å; A96-T99 PolarHBondContact O-N 2.99Å; A96-E100 WeakPolarHBondContact O-CB 3.49Å; A96-E100 PolarHBondContact O-N 2.81Å
97K93.4Very high91.5Very high129 Ų12982.3 Ų82.356%0.56139%0.391SS*.Hα-helixtrans-65.7-37.9178-170167.9-175.5170.80113.1K93 R94 Q95 N101K93-K97 WeakPolarHBondContact O-CB 3.24Å; K93-K97 PolarHBondContact O-N 2.84Å; R94-K97 PolarHBondContact O-N 2.82Å; Q95-K97 VanDerWaalsContact C-N 3.33Å; Q95-K97 PolarHBondContact O-N 3.17Å; K97-N101 WeakPolarHBondContact O-CB 3.04Å; K97-N101 PolarHBondContact O-N 3.25Å
98Y94.4Very high92.4Very high30 Ų3082 Ų8212%0.11839%0.391CS..Hα-helixtrans-66-45.8173.2164.2-111.1000111.5Q37 L40 R94 Q95 E100 N101 K102Q37-Y98 HydrophobicContact CB-CD2 3.73Å; Q37-Y98 HydrophobicContact CB-CE2 3.64Å; Q37-Y98 HydrophobicContact CG-CD2 4.18Å; Q37-Y98 HydrophobicContact CG-CE2 3.73Å; L40-Y98 HydrophobicContact CD2-CD1 3.65Å; L40-Y98 HydrophobicContact CD2-CE1 4.32Å; L40-Y98 HydrophobicContact CD2-CG 3.99Å; R94-Y98 WeakPolarHBondContact O-CB 3.39Å; R94-Y98 PolarHBondContact O-N 3.29Å; Q95-Y98 PolarHBondContact O-N 3.12Å; Y98-E100 VanDerWaalsContact C-N 3.31Å; Y98-E100 PolarHBondContact O-N 3.19Å; Y98-N101 PolarHBondContact O-N 2.94Å; Y98-K102 HydrophobicContact CD2-CB 4.49Å; Y98-K102 HydrophobicContact CE1-CD 4.22Å; Y98-K102 HydrophobicContact CE2-CB 4.22Å; Y98-K102 HydrophobicContact CE2-CD 4.1Å; Y98-K102 WeakPolarHBondContact O-CB 3.25Å; Y98-K102 PolarHBondContact O-N 3.4Å; Y98-K102 WeakPolarHBondContact OH-CD 3.43Å; Y98-K102 PolarHBondContact OH-NZ 3.06Å
99T94.3Very high93.2Very high77 Ų7782.6 Ų82.647%0.47239%0.388SS..Hα-helixtrans-59.4-42.9177-60.10000111.4Q95 A96 L103Q95-T99 PolarHBondContact O-N 3.16Å; Q95-T99 PolarHBondContact O-OG1 3.5Å; Q95-T99 VanDerWaalsContact O-OG1 3.09Å; A96-T99 PolarHBondContact O-N 2.99Å; T99-L103 WeakPolarHBondContact O-CB 3.36Å; T99-L103 PolarHBondContact O-N 2.97Å
100E94.9Very high93.8Very high100 Ų10078.7 Ų78.747%0.46738%0.375SS..Hα-helixtrans-62.3-51.5175.3-171.9-168166.900111.9A96 Y98 K102 L103 K104A96-E100 WeakPolarHBondContact O-CB 3.49Å; A96-E100 PolarHBondContact O-N 2.81Å; Y98-E100 VanDerWaalsContact C-N 3.31Å; Y98-E100 PolarHBondContact O-N 3.19Å; E100-K102 VanDerWaalsContact C-N 3.33Å; E100-K102 PolarHBondContact O-N 3.21Å; E100-L103 PolarHBondContact O-N 3.45Å; E100-K104 WeakPolarHBondContact O-CG 3.48Å; E100-K104 PolarHBondContact O-N 3.18Å; E100-K104 VanDerWaalsContact OE1-CE 3.31Å; E100-K104 WeakPolarHBondContact OE1-CE 3.38Å; E100-K104 IonicContact OE1-NZ 3.5Å; E100-K104 PolarHBondContact OE1-NZ 3.02Å
101N95.6Very high94.3Very high21 Ų2181 Ų8111%0.11239%0.385CS..Hα-helixtrans-64.8-37.5-179.8-77.28.5000112D32 A36 K97 Y98 K104 A105D32-N101 PolarHBondContact O-ND2 3.13Å; D32-N101 VanDerWaalsContact O-ND2 3.11Å; A36-N101 HydrophobicContact CB-CB 4.46Å; K97-N101 WeakPolarHBondContact O-CB 3.04Å; K97-N101 PolarHBondContact O-N 3.25Å; Y98-N101 PolarHBondContact O-N 2.94Å; N101-K104 PolarHBondContact O-N 3.25Å; N101-A105 WeakPolarHBondContact O-CB 3.47Å; N101-A105 PolarHBondContact O-N 2.88Å
102K94.9Very high94.8Very high91 Ų9180.7 Ų80.740%0.39638%0.383SS..Hα-helixtrans-64.3-42.1175.4-175.8175.4-173.6172.80111.3Y98 E100 A105 I106Y98-K102 HydrophobicContact CD2-CB 4.49Å; Y98-K102 HydrophobicContact CE1-CD 4.22Å; Y98-K102 HydrophobicContact CE2-CB 4.22Å; Y98-K102 HydrophobicContact CE2-CD 4.1Å; Y98-K102 WeakPolarHBondContact O-CB 3.25Å; Y98-K102 PolarHBondContact O-N 3.4Å; Y98-K102 WeakPolarHBondContact OH-CD 3.43Å; Y98-K102 PolarHBondContact OH-NZ 3.06Å; E100-K102 VanDerWaalsContact C-N 3.33Å; E100-K102 PolarHBondContact O-N 3.21Å; K102-A105 PolarHBondContact O-N 3.09Å; K102-I106 HydrophobicContact CG-CD1 4.03Å; K102-I106 VanDerWaalsContact O-CG1 3.29Å; K102-I106 WeakPolarHBondContact O-CG1 3.42Å; K102-I106 PolarHBondContact O-N 2.79Å
103L95.5Very high95.3Very high92 Ų9278.6 Ų78.648%0.48238%0.376SS..Hα-helixtrans-64.7-41.8175.6-176.261.8000111.5T99 E100 I106 K107T99-L103 WeakPolarHBondContact O-CB 3.36Å; T99-L103 PolarHBondContact O-N 2.97Å; E100-L103 PolarHBondContact O-N 3.45Å; L103-I106 PolarHBondContact O-N 3.46Å; L103-K107 HydrophobicContact CG-CD 4.47Å; L103-K107 WeakPolarHBondContact O-CG 3.27Å; L103-K107 PolarHBondContact O-N 3.47Å
104K96.4Very high95.6Very high82 Ų8275.9 Ų75.936%0.35737%0.369SS..Hα-helixtrans-61.2-43173.8-72.1178.2-175.2169.40112.1Y29 E100 N101 K107 A108Y29-K104 HydrophobicContact CD2-CB 4.38Å; Y29-K104 HydrophobicContact CG-CB 4.28Å; E100-K104 WeakPolarHBondContact O-CG 3.48Å; E100-K104 PolarHBondContact O-N 3.18Å; E100-K104 VanDerWaalsContact OE1-CE 3.31Å; E100-K104 WeakPolarHBondContact OE1-CE 3.38Å; E100-K104 IonicContact OE1-NZ 3.5Å; E100-K104 PolarHBondContact OE1-NZ 3.02Å; N101-K104 PolarHBondContact O-N 3.25Å; K104-K107 PolarHBondContact O-N 3.2Å; K104-A108 WeakPolarHBondContact O-CB 3.26Å; K104-A108 PolarHBondContact O-N 2.81Å
105A96.3Very high95.8Very high7 Ų773.8 Ų73.86%0.05837%0.366CS..Hα-helixtrans-64.1-42176.300000112.3N101 K102 A108 R109N101-A105 WeakPolarHBondContact O-CB 3.47Å; N101-A105 PolarHBondContact O-N 2.88Å; K102-A105 PolarHBondContact O-N 3.09Å; A105-A108 PolarHBondContact O-N 3.2Å; A105-R109 VanDerWaalsContact O-CB 3.31Å; A105-R109 WeakPolarHBondContact O-CB 3.29Å; A105-R109 PolarHBondContact O-N 2.99Å
106I96.3Very high96.1Very high62 Ų6272.8 Ų72.832%0.31836%0.362SS..Hα-helixtrans-64-46176.3-70.5166.5000110.8K102 L103 R109 N110K102-I106 HydrophobicContact CG-CD1 4.03Å; K102-I106 VanDerWaalsContact O-CG1 3.29Å; K102-I106 WeakPolarHBondContact O-CG1 3.42Å; K102-I106 PolarHBondContact O-N 2.79Å; L103-I106 PolarHBondContact O-N 3.46Å; I106-R109 PolarHBondContact O-N 3.03Å; I106-N110 PolarHBondContact O-N 2.81Å; I106-N110 PolarHBondContact O-OD1 3.13Å
107K97Very high96.3Very high129 Ų12976.2 Ų76.256%0.56137%0.368SS*.Hα-helixtrans-59.2-49.9176.6-73179.3178.5-172.20111.1L103 K104 R109 N110 E111L103-K107 HydrophobicContact CG-CD 4.47Å; L103-K107 WeakPolarHBondContact O-CG 3.27Å; L103-K107 PolarHBondContact O-N 3.47Å; K104-K107 PolarHBondContact O-N 3.2Å; K107-R109 VanDerWaalsContact C-N 3.3Å; K107-R109 PolarHBondContact O-N 2.85Å; K107-N110 PolarHBondContact O-N 3.32Å; K107-N110 VanDerWaalsContact O-N 3.15Å; K107-E111 WeakPolarHBondContact O-CG 3.33Å; K107-E111 PolarHBondContact O-N 3.21Å
108A97.1Very high96.5Very high11 Ų1172.6 Ų72.69%0.09136%0.362CS..Hα-helixtrans-64.8-31.9178.500000113.4Y29 K104 A105 Y112Y29-A108 HydrophobicContact CD2-CB 3.78Å; K104-A108 WeakPolarHBondContact O-CB 3.26Å; K104-A108 PolarHBondContact O-N 2.81Å; A105-A108 PolarHBondContact O-N 3.2Å; A108-Y112 WeakPolarHBondContact O-CB 3.23Å; A108-Y112 PolarHBondContact O-N 3.41Å
109R97.5Very high96.7Very high116 Ų11671.5 Ų71.544%0.43836%0.359SS..Hα-helixtrans-66.5-42.5172.2-171.2-177.164.3173.81.8111.8Y26 A105 I106 K107 Y112 L113Y26-R109 HydrophobicContact CD2-CB 3.7Å; Y26-R109 HydrophobicContact CD2-CG 4.29Å; Y26-R109 HydrophobicContact CE2-CB 3.58Å; Y26-R109 HydrophobicContact CE2-CG 3.84Å; A105-R109 VanDerWaalsContact O-CB 3.31Å; A105-R109 WeakPolarHBondContact O-CB 3.29Å; A105-R109 PolarHBondContact O-N 2.99Å; I106-R109 PolarHBondContact O-N 3.03Å; K107-R109 VanDerWaalsContact C-N 3.3Å; K107-R109 PolarHBondContact O-N 2.85Å; R109-Y112 PolarHBondContact O-N 2.87Å; R109-L113 WeakPolarHBondContact O-CG 3.24Å; R109-L113 PolarHBondContact O-N 3.33Å
110N97.4Very high96.8Very high75 Ų7572 Ų7240%0.40136%0.358SS..Hα-helixtrans-64.7-44.5177.7-69.92.8000110.7I106 K107 Y112 L113 L114I106-N110 PolarHBondContact O-N 2.81Å; I106-N110 PolarHBondContact O-OD1 3.13Å; K107-N110 PolarHBondContact O-N 3.32Å; K107-N110 VanDerWaalsContact O-N 3.15Å; N110-Y112 VanDerWaalsContact C-N 3.29Å; N110-Y112 PolarHBondContact O-N 2.99Å; N110-L113 PolarHBondContact O-N 2.67Å; N110-L114 WeakPolarHBondContact O-CG 3.43Å; N110-L114 PolarHBondContact O-N 3.3Å
111E97.5Very high97Very high116 Ų11670 Ų7054%0.54236%0.359SS..Hα-helixtrans-58.5-40.9172.9-68.2-55.4131.800112V22 K107 L114 A115V22-E111 HydrophobicContact CG1-CB 4.35Å; K107-E111 WeakPolarHBondContact O-CG 3.33Å; K107-E111 PolarHBondContact O-N 3.21Å; E111-L114 PolarHBondContact O-N 2.94Å; E111-A115 WeakPolarHBondContact O-CB 3.45Å; E111-A115 PolarHBondContact O-N 3.43Å
112Y97.9Very high97.1Very high51 Ų5170.8 Ų70.820%0.237%0.366CS..Hα-helixtrans-62.1-44.6175174.9-126.9000112.8L19 V22 M23 Y26 A108 R109 N110 L114 A115 L116L19-Y112 HydrophobicContact CD1-CD2 3.85Å; L19-Y112 HydrophobicContact CD1-CE2 3.63Å; L19-Y112 HydrophobicContact CG-CE2 4.24Å; V22-Y112 HydrophobicContact CG1-CD2 4.45Å; M23-Y112 HydrophobicContact CB-CD2 4.11Å; M23-Y112 HydrophobicContact CB-CE2 3.89Å; M23-Y112 HydrophobicContact CG-CE2 4.22Å; Y26-Y112 HydrophobicContact CD1-CD1 4.29Å; A108-Y112 WeakPolarHBondContact O-CB 3.23Å; A108-Y112 PolarHBondContact O-N 3.41Å; R109-Y112 PolarHBondContact O-N 2.87Å; N110-Y112 VanDerWaalsContact C-N 3.29Å; N110-Y112 PolarHBondContact O-N 2.99Å; Y112-L114 PolarHBondContact O-N 3.07Å; Y112-A115 PolarHBondContact O-N 2.91Å; Y112-L116 VanDerWaalsContact O-CB 3.28Å; Y112-L116 WeakPolarHBondContact O-CB 3.39Å; Y112-L116 PolarHBondContact O-N 3.33Å
113L97.6Very high97.2Very high93 Ų9368.6 Ų68.649%0.48736%0.36SS..Hα-helixtrans-64.7-38.9177.6-70.3171.7000112.1R109 N110 L116 E117R109-L113 WeakPolarHBondContact O-CG 3.24Å; R109-L113 PolarHBondContact O-N 3.33Å; N110-L113 PolarHBondContact O-N 2.67Å; L113-L116 PolarHBondContact O-N 2.92Å; L113-E117 PolarHBondContact O-N 3.13Å; L113-E117 VanDerWaalsContact O-N 3.08Å
114L97.1Very high97.3Very high113 Ų11370 Ų7059%0.59236%0.363SS*.Hα-helixtrans-64.4-46174.6-68.5173.2000111.6N110 E111 Y112 L116 E117 A118N110-L114 WeakPolarHBondContact O-CG 3.43Å; N110-L114 PolarHBondContact O-N 3.3Å; E111-L114 PolarHBondContact O-N 2.94Å; Y112-L114 PolarHBondContact O-N 3.07Å; L114-L116 VanDerWaalsContact C-N 3.32Å; L114-L116 PolarHBondContact O-N 3.15Å; L114-E117 PolarHBondContact O-N 3.5Å; L114-A118 PolarHBondContact O-N 3.27Å
115A97.4Very high97.4Very high24 Ų2470.8 Ų70.820%0.19837%0.366CS..Hα-helixtrans-64-36.817700000112.2L19 V22 E111 Y112 A118 T119L19-A115 HydrophobicContact CD1-CB 3.93Å; V22-A115 HydrophobicContact CB-CB 4.48Å; V22-A115 HydrophobicContact CG1-CB 4.27Å; V22-A115 HydrophobicContact CG2-CB 4.34Å; E111-A115 WeakPolarHBondContact O-CB 3.45Å; E111-A115 PolarHBondContact O-N 3.43Å; Y112-A115 PolarHBondContact O-N 2.91Å; A115-A118 PolarHBondContact O-N 2.87Å; A115-T119 WeakPolarHBondContact O-CB 3.47Å; A115-T119 PolarHBondContact O-N 3.31Å; A115-T119 PolarHBondContact O-OG1 3.32Å
116L97.3Very high97.4Very high49 Ų4971.2 Ų71.226%0.25737%0.367SS..Hα-helixtrans-64.2-44.8176.7-174.767.1000111.3L19 Y112 L113 L114 T119 N120L19-L116 HydrophobicContact CD1-CB 4.23Å; L19-L116 HydrophobicContact CD1-CD1 4.38Å; L19-L116 HydrophobicContact CD2-CD1 3.86Å; Y112-L116 VanDerWaalsContact O-CB 3.28Å; Y112-L116 WeakPolarHBondContact O-CB 3.39Å; Y112-L116 PolarHBondContact O-N 3.33Å; L113-L116 PolarHBondContact O-N 2.92Å; L114-L116 VanDerWaalsContact C-N 3.32Å; L114-L116 PolarHBondContact O-N 3.15Å; L116-T119 PolarHBondContact O-N 3.28Å; L116-N120 PolarHBondContact O-N 2.87Å; L116-N120 PolarHBondContact O-ND2 3.43Å
117E97.5Very high97.5Very high132 Ų13275.2 Ų75.262%0.61738%0.379SS*.Hα-helixtrans-63.7-44.9177.5-161.662.6-147.500111.3L113 L114 T119 N120 A121L113-E117 PolarHBondContact O-N 3.13Å; L113-E117 VanDerWaalsContact O-N 3.08Å; L114-E117 PolarHBondContact O-N 3.5Å; E117-T119 VanDerWaalsContact C-N 3.32Å; E117-T119 PolarHBondContact O-N 3.44Å; E117-N120 PolarHBondContact O-N 2.83Å; E117-A121 WeakPolarHBondContact O-CB 3.49Å; E117-A121 PolarHBondContact O-N 2.94Å
118A96.4Very high97.5Very high54 Ų5473.6 Ų73.645%0.44638%0.375SS..Hα-helixtrans-61.9-38.6175.400000112.6L114 A115 S122L114-A118 PolarHBondContact O-N 3.27Å; A115-A118 PolarHBondContact O-N 2.87Å; A118-S122 WeakPolarHBondContact O-CB 3.42Å; A118-S122 PolarHBondContact O-N 3.43Å; A118-S122 PolarHBondContact O-OG 2.98Å
119T98Very high97.5Very high7 Ų777.5 Ų77.54%0.04339%0.391CS..Hα-helixtrans-65.4-48.1176.4-57.60000111.2V15 L16 L19 A115 L116 E117 A121 S122 V123V15-T119 HydrophobicContact CG1-CG2 4.15Å; L16-T119 HydrophobicContact CD2-CG2 3.68Å; L19-T119 HydrophobicContact CD2-CG2 3.99Å; A115-T119 WeakPolarHBondContact O-CB 3.47Å; A115-T119 PolarHBondContact O-N 3.31Å; A115-T119 PolarHBondContact O-OG1 3.32Å; L116-T119 PolarHBondContact O-N 3.28Å; E117-T119 VanDerWaalsContact C-N 3.32Å; E117-T119 PolarHBondContact O-N 3.44Å; T119-A121 VanDerWaalsContact C-N 3.33Å; T119-A121 PolarHBondContact O-N 2.94Å; T119-S122 PolarHBondContact O-N 3.14Å; T119-S122 VanDerWaalsContact O-N 3.17Å; T119-V123 HydrophobicContact CG2-CG2 4.45Å; T119-V123 WeakPolarHBondContact O-CG2 3.42Å; T119-V123 PolarHBondContact O-N 3.24Å
120N97.7Very high97.4Very high87 Ų8773.1 Ų73.147%0.46538%0.376SS..Hα-helixtrans-61-42.6178-73.4-27.2000111.6L116 E117 S122 V123 F124L116-N120 PolarHBondContact O-N 2.87Å; L116-N120 PolarHBondContact O-ND2 3.43Å; E117-N120 PolarHBondContact O-N 2.83Å; N120-S122 VanDerWaalsContact C-N 3.34Å; N120-S122 PolarHBondContact O-N 3.07Å; N120-V123 PolarHBondContact O-N 3.43Å; N120-F124 WeakPolarHBondContact O-CB 3.48Å; N120-F124 PolarHBondContact O-N 3.24Å
121A97.7Very high97.4Very high58 Ų5872.3 Ų72.348%0.47937%0.372SS..Hα-helixtrans-62.3-40.1175.100000112.1E117 T119 F124 K125E117-A121 WeakPolarHBondContact O-CB 3.49Å; E117-A121 PolarHBondContact O-N 2.94Å; T119-A121 VanDerWaalsContact C-N 3.33Å; T119-A121 PolarHBondContact O-N 2.94Å; A121-F124 PolarHBondContact O-N 3.03Å; A121-K125 WeakPolarHBondContact O-CB 3.44Å; A121-K125 PolarHBondContact O-N 3.43Å
122S97.6Very high97.3Very high38 Ų3869.5 Ų69.527%0.26637%0.365SS..Hα-helixtrans-66.8-43.5177.8-58.40000112.2A118 T119 N120 K125 Y126A118-S122 WeakPolarHBondContact O-CB 3.42Å; A118-S122 PolarHBondContact O-N 3.43Å; A118-S122 PolarHBondContact O-OG 2.98Å; T119-S122 PolarHBondContact O-N 3.14Å; T119-S122 VanDerWaalsContact O-N 3.17Å; N120-S122 VanDerWaalsContact C-N 3.34Å; N120-S122 PolarHBondContact O-N 3.07Å; S122-K125 PolarHBondContact O-N 2.76Å; S122-Y126 WeakPolarHBondContact O-CB 3.3Å; S122-Y126 PolarHBondContact O-N 3.27Å
123V97.9Very high97.2Very high45 Ų4570.1 Ų70.127%0.27337%0.372SS..Hα-helixtrans-61.1-47.4174172.10000110.4L12 L16 T119 N120 Y126 Y127L12-V123 HydrophobicContact CD1-CB 4.49Å; L12-V123 HydrophobicContact CD1-CG2 3.85Å; L16-V123 HydrophobicContact CD2-CG2 4.27Å; T119-V123 HydrophobicContact CG2-CG2 4.45Å; T119-V123 WeakPolarHBondContact O-CG2 3.42Å; T119-V123 PolarHBondContact O-N 3.24Å; N120-V123 PolarHBondContact O-N 3.43Å; V123-Y126 PolarHBondContact O-N 3.42Å; V123-Y127 HydrophobicContact CG1-CD2 3.9Å; V123-Y127 HydrophobicContact CG1-CE2 4.19Å; V123-Y127 WeakPolarHBondContact O-CD2 3.09Å; V123-Y127 PolarHBondContact O-N 3.25Å; V123-Y127 VanDerWaalsContact O-N 3.08Å
124F98Very high97.2Very high122 Ų12266.5 Ų66.554%0.53535%0.353SS..Hα-helixtrans-60.3-49.3179-176.7-86.2000111.4N120 A121 Y126 Y127 I128 H129N120-F124 WeakPolarHBondContact O-CB 3.48Å; N120-F124 PolarHBondContact O-N 3.24Å; A121-F124 PolarHBondContact O-N 3.03Å; F124-Y126 VanDerWaalsContact C-N 3.32Å; F124-Y126 PolarHBondContact O-N 3.43Å; F124-Y127 PolarHBondContact O-N 3.35Å; F124-I128 HydrophobicContact CD1-CB 4.41Å; F124-I128 HydrophobicContact CD1-CG1 4.25Å; F124-I128 HydrophobicContact CD2-CG1 3.92Å; F124-I128 HydrophobicContact CE1-CB 4.11Å; F124-I128 HydrophobicContact CE1-CG1 4.08Å; F124-I128 HydrophobicContact CE1-CG2 4.21Å; F124-I128 HydrophobicContact CE2-CG1 3.75Å; F124-I128 HydrophobicContact CG-CG1 4.18Å; F124-I128 HydrophobicContact CZ-CB 4.23Å; F124-I128 HydrophobicContact CZ-CG1 3.83Å; F124-I128 HydrophobicContact CZ-CG2 4.14Å; F124-I128 VanDerWaalsContact O-CB 3.3Å; F124-I128 WeakPolarHBondContact O-CB 3.36Å; F124-I128 WeakPolarHBondContact O-CG1 3.34Å; F124-I128 PolarHBondContact O-N 3.26Å; F124-H129 AromaticContact CE1-NE2 3.89Å
125K97.7Very high97Very high98 Ų9865.2 Ų65.243%0.42635%0.346SS..Hα-helixtrans-57.4-46178-168.8-175.278.674.90111.6A121 S122 H129 D130A121-K125 WeakPolarHBondContact O-CB 3.44Å; A121-K125 PolarHBondContact O-N 3.43Å; S122-K125 PolarHBondContact O-N 2.76Å; K125-H129 WeakPolarHBondContact O-CA 3.48Å; K125-H129 WeakPolarHBondContact O-CB 3.31Å; K125-H129 PolarHBondContact O-N 3.34Å; K125-D130 WeakPolarHBondContact CE-OD2 3.3Å; K125-D130 IonicContact NZ-OD1 3.86Å; K125-D130 PolarHBondContact NZ-OD1 3.43Å; K125-D130 IonicContact NZ-OD2 2.66Å; K125-D130 PolarHBondContact NZ-OD2 3.2Å; K125-D130 PolarHBondContact O-N 3.08Å
126Y97.8Very high96.8Very high16 Ų1668.5 Ų68.56%0.06336%0.36CS..Iπ-helixtrans-59.5-51.4179.8177-93.8000112.3L8 Q9 L12 S122 V123 F124 D130 L131L8-Y126 HydrophobicContact CB-CD2 4.17Å; L8-Y126 HydrophobicContact CB-CE2 3.96Å; Q9-Y126 HydrophobicContact CG-CE2 4.17Å; Q9-Y126 WeakPolarHBondContact CG-OH 3.18Å; Q9-Y126 PolarHBondContact NE2-OH 2.99Å; L12-Y126 HydrophobicContact CD2-CD1 3.65Å; L12-Y126 HydrophobicContact CD2-CD2 4.25Å; L12-Y126 HydrophobicContact CD2-CE1 4.07Å; L12-Y126 HydrophobicContact CD2-CG 3.75Å; S122-Y126 WeakPolarHBondContact O-CB 3.3Å; S122-Y126 PolarHBondContact O-N 3.27Å; V123-Y126 PolarHBondContact O-N 3.42Å; F124-Y126 VanDerWaalsContact C-N 3.32Å; F124-Y126 PolarHBondContact O-N 3.43Å; Y126-D130 WeakPolarHBondContact CA-OD2 3.23Å; Y126-D130 PolarHBondContact O-N 3.38Å; Y126-L131 HydrophobicContact CD1-CD1 4.4Å; Y126-L131 HydrophobicContact CD1-CG 4.38Å; Y126-L131 HydrophobicContact CE1-CD1 3.93Å; Y126-L131 HydrophobicContact CE1-CD2 4.13Å; Y126-L131 HydrophobicContact CE1-CG 3.97Å; Y126-L131 HydrophobicContact CE2-CD2 4.37Å; Y126-L131 WeakPolarHBondContact O-CG 3.41Å; Y126-L131 PolarHBondContact O-N 3.11Å
127Y97Very high96.7Very high146 Ų14671.6 Ų71.657%0.57337%0.373SS*.Iπ-helixtrans-77.8-34.6-174-82.5-76.1000114.3V123 F124 L131V123-Y127 HydrophobicContact CG1-CD2 3.9Å; V123-Y127 HydrophobicContact CG1-CE2 4.19Å; V123-Y127 WeakPolarHBondContact O-CD2 3.09Å; V123-Y127 PolarHBondContact O-N 3.25Å; V123-Y127 VanDerWaalsContact O-N 3.08Å; F124-Y127 PolarHBondContact O-N 3.35Å; Y127-L131 HydrophobicContact CD1-CD1 3.81Å; Y127-L131 HydrophobicContact CE1-CD1 4.24Å
128I97.5Very high96.3Very high94 Ų9467.3 Ų67.348%0.48236%0.357SS..Iπ-helixtrans-90.4-32.8-173.6-57.1-57.5000111.9F124F124-I128 HydrophobicContact CD1-CB 4.41Å; F124-I128 HydrophobicContact CD1-CG1 4.25Å; F124-I128 HydrophobicContact CD2-CG1 3.92Å; F124-I128 HydrophobicContact CE1-CB 4.11Å; F124-I128 HydrophobicContact CE1-CG1 4.08Å; F124-I128 HydrophobicContact CE1-CG2 4.21Å; F124-I128 HydrophobicContact CE2-CG1 3.75Å; F124-I128 HydrophobicContact CG-CG1 4.18Å; F124-I128 HydrophobicContact CZ-CB 4.23Å; F124-I128 HydrophobicContact CZ-CG1 3.83Å; F124-I128 HydrophobicContact CZ-CG2 4.14Å; F124-I128 VanDerWaalsContact O-CB 3.3Å; F124-I128 WeakPolarHBondContact O-CB 3.36Å; F124-I128 WeakPolarHBondContact O-CG1 3.34Å; F124-I128 PolarHBondContact O-N 3.26Å
129H96.2Very high96.1Very high93 Ų9367.9 Ų67.943%0.43136%0.357SS..Iπ-helixtrans-116.9-60.7-174.1-58-56.6000111.7F124 K125 L131 S132 D133F124-H129 AromaticContact CE1-NE2 3.89Å; K125-H129 WeakPolarHBondContact O-CA 3.48Å; K125-H129 WeakPolarHBondContact O-CB 3.31Å; K125-H129 PolarHBondContact O-N 3.34Å; H129-L131 VanDerWaalsContact C-N 3.32Å; H129-L131 PolarHBondContact O-N 3.4Å; H129-S132 WeakPolarHBondContact O-CB 3.17Å; H129-S132 PolarHBondContact O-N 3.4Å; H129-D133 PolarHBondContact O-N 2.87Å
130D96.9Very high95.9Very high24 Ų2470.7 Ų70.713%0.12837%0.372CS..Iπ-helixtrans-62.5-37.4-166.9-56.1-30.1000113L8 K125 Y126 D133 I134L8-D130 HydrophobicContact CD1-CB 4.04Å; K125-D130 WeakPolarHBondContact CE-OD2 3.3Å; K125-D130 IonicContact NZ-OD1 3.86Å; K125-D130 PolarHBondContact NZ-OD1 3.43Å; K125-D130 IonicContact NZ-OD2 2.66Å; K125-D130 PolarHBondContact NZ-OD2 3.2Å; K125-D130 PolarHBondContact O-N 3.08Å; Y126-D130 WeakPolarHBondContact CA-OD2 3.23Å; Y126-D130 PolarHBondContact O-N 3.38Å; D130-D133 PolarHBondContact O-N 2.82Å; D130-I134 WeakPolarHBondContact O-CD1 3.21Å; D130-I134 WeakPolarHBondContact O-CG1 3.5Å; D130-I134 PolarHBondContact O-N 3.47Å
131L95.8Very high95.7Very high58 Ų5873 Ų7330%0.30438%0.383SS..Hα-helixtrans-63.2-42.5176-78.1179.7000112.8Y126 Y127 H129 I135Y126-L131 HydrophobicContact CD1-CD1 4.4Å; Y126-L131 HydrophobicContact CD1-CG 4.38Å; Y126-L131 HydrophobicContact CE1-CD1 3.93Å; Y126-L131 HydrophobicContact CE1-CD2 4.13Å; Y126-L131 HydrophobicContact CE1-CG 3.97Å; Y126-L131 HydrophobicContact CE2-CD2 4.37Å; Y126-L131 WeakPolarHBondContact O-CG 3.41Å; Y126-L131 PolarHBondContact O-N 3.11Å; Y127-L131 HydrophobicContact CD1-CD1 3.81Å; Y127-L131 HydrophobicContact CE1-CD1 4.24Å; H129-L131 VanDerWaalsContact C-N 3.32Å; H129-L131 PolarHBondContact O-N 3.4Å; L131-I135 WeakPolarHBondContact O-CG1 3.31Å; L131-I135 PolarHBondContact O-N 3.4Å
132S96.5Very high95.6Very high57 Ų5771.9 Ų71.940%0.39938%0.378SS..Hα-helixtrans-64.5-47.6175.4-163.40000109.9H129 I134 I135 D136H129-S132 WeakPolarHBondContact O-CB 3.17Å; H129-S132 PolarHBondContact O-N 3.4Å; S132-I134 VanDerWaalsContact C-N 3.34Å; S132-I134 PolarHBondContact O-N 3.49Å; S132-I135 PolarHBondContact O-N 3.12Å; S132-D136 PolarHBondContact O-N 3.39Å; S132-D136 PolarHBondContact OG-OD2 2.99Å
133D96.1Very high95.5Very high64 Ų6476.8 Ų76.834%0.34239%0.392SS..Hα-helixtrans-62-37.8-178.9-73.9-28.8000112.4H129 D130 I135 Q137H129-D133 PolarHBondContact O-N 2.87Å; D130-D133 PolarHBondContact O-N 2.82Å; D133-I135 VanDerWaalsContact C-N 3.33Å; D133-I135 PolarHBondContact O-N 3.07Å; D133-Q137 HydrophobicContact CB-CG 4.47Å; D133-Q137 VanDerWaalsContact CG-NE2 3.33Å; D133-Q137 WeakPolarHBondContact O-CA 3.39Å; D133-Q137 WeakPolarHBondContact O-CB 3.25Å; D133-Q137 VanDerWaalsContact O-CG 3.26Å; D133-Q137 WeakPolarHBondContact O-CG 3.37Å; D133-Q137 PolarHBondContact O-N 3.25Å; D133-Q137 PolarHBondContact OD1-NE2 3.2Å
134I96.4Very high95.4Very high17 Ų1780 Ų809%0.08740%0.403CS..Hα-helixtrans-62.4-42.5174.2-69.4157.7000110.9V4 L8 D130 S132 C138 C139V4-I134 HydrophobicContact CG1-CG1 4.49Å; L8-I134 HydrophobicContact CD1-CD1 3.27Å; L8-I134 HydrophobicContact CD1-CG1 3.68Å; L8-I134 HydrophobicContact CG-CD1 4.49Å; D130-I134 WeakPolarHBondContact O-CD1 3.21Å; D130-I134 WeakPolarHBondContact O-CG1 3.5Å; D130-I134 PolarHBondContact O-N 3.47Å; S132-I134 VanDerWaalsContact C-N 3.34Å; S132-I134 PolarHBondContact O-N 3.49Å; I134-C138 HydrophobicContact CG2-CB 4.48Å; I134-C138 CarbonylContact O-C 3.56Å; I134-C138 WeakPolarHBondContact O-CA 3.42Å; I134-C138 WeakPolarHBondContact O-CB 3.34Å; I134-C138 PolarHBondContact O-N 2.85Å; I134-C139 PolarHBondContact O-N 3.15Å
135I94.4Very high95.3Very high87 Ų8777 Ų7745%0.44640%0.401SS..Iπ-helixtrans-65.5-54.6-179.6-65.3167.3000109L131 S132 D133 C139 D140L131-I135 WeakPolarHBondContact O-CG1 3.31Å; L131-I135 PolarHBondContact O-N 3.4Å; S132-I135 PolarHBondContact O-N 3.12Å; D133-I135 VanDerWaalsContact C-N 3.33Å; D133-I135 PolarHBondContact O-N 3.07Å; I135-C139 WeakPolarHBondContact O-CA 3.41Å; I135-C139 WeakPolarHBondContact O-CB 3.43Å; I135-C139 PolarHBondContact O-N 3.11Å; I135-C139 VanDerWaalsContact O-N 3.1Å; I135-D140 PolarHBondContact O-N 3.21Å
136D93.2Very high95.4Very high92 Ų9275.5 Ų75.549%0.49240%0.403SS..Iπ-helixtrans-68.2-45.9-174.4-63.3-29.9000112.5S132S132-D136 PolarHBondContact O-N 3.39Å; S132-D136 PolarHBondContact OG-OD2 2.99Å
137Q93.6Very high95.4Very high115 Ų11578.1 Ų78.154%0.53742%0.418SS..Iπ-helixtrans-92.5-21.4-170.7-50.9176.914.600113.2D133D133-Q137 HydrophobicContact CB-CG 4.47Å; D133-Q137 VanDerWaalsContact CG-NE2 3.33Å; D133-Q137 WeakPolarHBondContact O-CA 3.39Å; D133-Q137 WeakPolarHBondContact O-CB 3.25Å; D133-Q137 VanDerWaalsContact O-CG 3.26Å; D133-Q137 WeakPolarHBondContact O-CG 3.37Å; D133-Q137 PolarHBondContact O-N 3.25Å; D133-Q137 PolarHBondContact OD1-NE2 3.2Å
138C90.8Very high95.4Very high41 Ų4174.8 Ų74.828%0.27741%0.41SS..Iπ-helixtrans-118.3-46.9-178.8-57.10000113.8S1 I134S1-C138 WeakPolarHBondContact OG-CB 3.44Å; S1-C138 PolarHBondContact OG-O 2.89Å; I134-C138 HydrophobicContact CG2-CB 4.48Å; I134-C138 CarbonylContact O-C 3.56Å; I134-C138 WeakPolarHBondContact O-CA 3.42Å; I134-C138 WeakPolarHBondContact O-CB 3.34Å; I134-C138 PolarHBondContact O-N 2.85Å
139C91.2Very high95.5Very high67 Ų6778.7 Ų78.745%0.45342%0.418SS..Iπ-helixtrans-75.7-46.4-175.5-64.80000112I134 I135 L141I134-C139 PolarHBondContact O-N 3.15Å; I135-C139 WeakPolarHBondContact O-CA 3.41Å; I135-C139 WeakPolarHBondContact O-CB 3.43Å; I135-C139 PolarHBondContact O-N 3.11Å; I135-C139 VanDerWaalsContact O-N 3.1Å; C139-L141 VanDerWaalsContact C-N 3.28Å; C139-L141 PolarHBondContact O-N 3.46Å
140D94.4Very high95.6Very high66 Ų6677 Ų7735%0.35342%0.421SS..SBendtrans-88.5-0.5-175-69.1-6.8000112.8I135 G142 Y143I135-D140 PolarHBondContact O-N 3.21Å; D140-G142 PolarHBondContact O-N 2.96Å; D140-Y143 PolarHBondContact O-N 3.36Å
141L93.9Very high95.6Very high134 Ų13480.3 Ų80.370%0.70244%0.438SS*.THydrogen-bonded Turntrans-56.4105.7-175.2-173.465.9000111.2C139 Y143C139-L141 VanDerWaalsContact C-N 3.28Å; C139-L141 PolarHBondContact O-N 3.46Å; L141-Y143 PolarHBondContact O-N 3.15Å
142G93.9Very high95.7Very high36 Ų3685.1 Ų85.137%0.37145%0.452SS..THydrogen-bonded Turntrans74.6-5.9175.800000115.7D140 S146D140-G142 PolarHBondContact O-N 2.96Å; G142-S146 WeakPolarHBondContact O-CB 3.4Å; G142-S146 PolarHBondContact O-N 2.88Å; G142-S146 PolarHBondContact O-OG 3.29Å
143Y95.8Very high95.8Very high140 Ų14087.1 Ų87.155%0.54946%0.462SS..Hα-helixtrans-63.9-59.7-178.3174.9-113.7000111.6D140 L141 A145 S146 L147D140-Y143 PolarHBondContact O-N 3.36Å; L141-Y143 PolarHBondContact O-N 3.15Å; Y143-A145 VanDerWaalsContact C-N 3.3Å; Y143-A145 PolarHBondContact O-N 3.4Å; Y143-S146 PolarHBondContact O-N 3.44Å; Y143-S146 VanDerWaalsContact O-N 3.16Å; Y143-L147 HydrophobicContact CE1-CD2 4.47Å; Y143-L147 WeakPolarHBondContact O-CB 3.48Å; Y143-L147 PolarHBondContact O-N 3.01Å
144H96.4Very high95.9Very high113 Ų11389.5 Ų89.552%0.52347%0.47SS..Hα-helixtrans-60.8-39.5179.8-69.1-71.5000112.5S146 L147 N148H144-S146 PolarHBondContact O-N 2.9Å; H144-L147 PolarHBondContact O-N 3.29Å; H144-N148 WeakPolarHBondContact O-CB 3.36Å; H144-N148 PolarHBondContact O-N 3.39Å
145A96.6Very high96Very high59 Ų5993.8 Ų93.849%0.48849%0.492SS..Hα-helixtrans-63.1-42.2177.200000111.9Y143 R149Y143-A145 VanDerWaalsContact C-N 3.3Å; Y143-A145 PolarHBondContact O-N 3.4Å; A145-R149 VanDerWaalsContact O-CG 3.32Å; A145-R149 WeakPolarHBondContact O-CG 3.44Å; A145-R149 PolarHBondContact O-N 2.9Å; A145-R149 VanDerWaalsContact O-N 3.11Å
146S97.9Very high96.2Very high66 Ų6692.6 Ų92.646%0.46249%0.492SS..Hα-helixtrans-69.5-43.9178-590000111.8G142 Y143 H144 R149 A150G142-S146 WeakPolarHBondContact O-CB 3.4Å; G142-S146 PolarHBondContact O-N 2.88Å; G142-S146 PolarHBondContact O-OG 3.29Å; Y143-S146 PolarHBondContact O-N 3.44Å; Y143-S146 VanDerWaalsContact O-N 3.16Å; H144-S146 PolarHBondContact O-N 2.9Å; S146-R149 PolarHBondContact O-N 3.29Å; S146-A150 PolarHBondContact O-N 3.4Å
147L98.1Very high96.5Very high72 Ų7291.1 Ų91.138%0.37749%0.492SS..Hα-helixtrans-63.2-44176.8-176.661.1000111.6Y143 H144 R149 A150 L151Y143-L147 HydrophobicContact CE1-CD2 4.47Å; Y143-L147 WeakPolarHBondContact O-CB 3.48Å; Y143-L147 PolarHBondContact O-N 3.01Å; H144-L147 PolarHBondContact O-N 3.29Å; L147-R149 VanDerWaalsContact C-N 3.32Å; L147-R149 PolarHBondContact O-N 2.9Å; L147-A150 PolarHBondContact O-N 3.04Å; L147-L151 HydrophobicContact CD1-CD1 4.33Å; L147-L151 HydrophobicContact CD1-CG 4.28Å; L147-L151 HydrophobicContact CG-CD1 4.12Å; L147-L151 HydrophobicContact CG-CG 4.47Å; L147-L151 WeakPolarHBondContact O-CG 3.5Å; L147-L151 PolarHBondContact O-N 3.28Å
148N98.2Very high96.7Very high76 Ų7689.8 Ų89.841%0.40649%0.486SS..Hα-helixtrans-58.6-42.5174.5168.972.1000111.6H144 R152H144-N148 WeakPolarHBondContact O-CB 3.36Å; H144-N148 PolarHBondContact O-N 3.39Å; N148-R152 VanDerWaalsContact O-CB 3.28Å; N148-R152 WeakPolarHBondContact O-CB 3.42Å; N148-R152 VanDerWaalsContact O-CG 3.22Å; N148-R152 WeakPolarHBondContact O-CG 3.41Å; N148-R152 PolarHBondContact O-N 2.94Å; N148-R152 PolarHBondContact OD1-NE 3.5Å
149R98.3Very high97.1Very high175 Ų17593.5 Ų93.566%0.6650%0.502SS*.Hα-helixtrans-64.3-42.5176-74.6170.760.8-157.6-2.3112.2A145 S146 L147 R152 T153A145-R149 VanDerWaalsContact O-CG 3.32Å; A145-R149 WeakPolarHBondContact O-CG 3.44Å; A145-R149 PolarHBondContact O-N 2.9Å; A145-R149 VanDerWaalsContact O-N 3.11Å; S146-R149 PolarHBondContact O-N 3.29Å; L147-R149 VanDerWaalsContact C-N 3.32Å; L147-R149 PolarHBondContact O-N 2.9Å; R149-R152 PolarHBondContact O-N 2.91Å; R149-T153 PolarHBondContact O-N 3.44Å; R149-T153 PolarHBondContact O-OG1 3.03Å
150A98.3Very high97.4Very high59 Ų5994.7 Ų94.749%0.48850%0.504SS..Hα-helixtrans-62-49.2177.100000111.3S146 L147 R152 T153 F154S146-A150 PolarHBondContact O-N 3.4Å; L147-A150 PolarHBondContact O-N 3.04Å; A150-R152 PolarHBondContact O-N 3.44Å; A150-T153 WeakPolarHBondContact O-CB 3.18Å; A150-T153 PolarHBondContact O-N 3.34Å; A150-T153 VanDerWaalsContact O-N 3.16Å; A150-F154 PolarHBondContact O-N 3.39Å
151L98.4Very high97.6Very high93 Ų9396.5 Ų96.549%0.48751%0.513SS..Hα-helixtrans-64.4-38.3177.7-67.8176.3000112.4L147 T153 F154 L155L147-L151 HydrophobicContact CD1-CD1 4.33Å; L147-L151 HydrophobicContact CD1-CG 4.28Å; L147-L151 HydrophobicContact CG-CD1 4.12Å; L147-L151 HydrophobicContact CG-CG 4.47Å; L147-L151 WeakPolarHBondContact O-CG 3.5Å; L147-L151 PolarHBondContact O-N 3.28Å; L151-T153 VanDerWaalsContact C-N 3.3Å; L151-T153 PolarHBondContact O-N 3.45Å; L151-F154 WeakPolarHBondContact O-CB 3.23Å; L151-F154 PolarHBondContact O-N 2.81Å; L151-L155 WeakPolarHBondContact O-CG 3.19Å; L151-L155 PolarHBondContact O-N 3.49Å
152R98.1Very high97.8Very high159 Ų15994.5 Ų94.560%0.650%0.5SS*.Hα-helixtrans-65.8-33.4174-77.2178.6178.3-82.9-1.1112.9N148 R149 A150 S156N148-R152 VanDerWaalsContact O-CB 3.28Å; N148-R152 WeakPolarHBondContact O-CB 3.42Å; N148-R152 VanDerWaalsContact O-CG 3.22Å; N148-R152 WeakPolarHBondContact O-CG 3.41Å; N148-R152 PolarHBondContact O-N 2.94Å; N148-R152 PolarHBondContact OD1-NE 3.5Å; R149-R152 PolarHBondContact O-N 2.91Å; A150-R152 PolarHBondContact O-N 3.44Å; R152-S156 VanDerWaalsContact O-CB 3.23Å; R152-S156 WeakPolarHBondContact O-CB 3.24Å; R152-S156 PolarHBondContact O-N 3.42Å
153T98.4Very high98Very high98 Ų9897.7 Ų97.760%0.60151%0.506SS*.Hα-helixtrans-66.1-43.5174.5-54.10000110.3R149 A150 L151 S156 A157R149-T153 PolarHBondContact O-N 3.44Å; R149-T153 PolarHBondContact O-OG1 3.03Å; A150-T153 WeakPolarHBondContact O-CB 3.18Å; A150-T153 PolarHBondContact O-N 3.34Å; A150-T153 VanDerWaalsContact O-N 3.16Å; L151-T153 VanDerWaalsContact C-N 3.3Å; L151-T153 PolarHBondContact O-N 3.45Å; T153-S156 PolarHBondContact O-N 3.28Å; T153-A157 PolarHBondContact O-N 3.44Å
154F98.4Very high98.1Very high115 Ų11594.7 Ų94.750%0.50451%0.505SS..Hα-helixtrans-58.4-52.8172168.3-102.4000112A150 L151 S156 A157 E158A150-F154 PolarHBondContact O-N 3.39Å; L151-F154 WeakPolarHBondContact O-CB 3.23Å; L151-F154 PolarHBondContact O-N 2.81Å; F154-S156 VanDerWaalsContact C-N 3.28Å; F154-S156 PolarHBondContact O-N 3.19Å; F154-A157 WeakPolarHBondContact O-CB 3.42Å; F154-A157 PolarHBondContact O-N 2.88Å; F154-E158 HydrophobicContact CD2-CG 4.33Å; F154-E158 HydrophobicContact CE1-CG 4.14Å; F154-E158 HydrophobicContact CE2-CG 3.8Å; F154-E158 WeakPolarHBondContact CE2-OE1 3.25Å; F154-E158 HydrophobicContact CZ-CG 3.69Å; F154-E158 PolarHBondContact O-N 2.92Å
155L98.4Very high98.2Very high107 Ų10794.6 Ų94.656%0.5650%0.503SS*.Hα-helixtrans-59.7-37.7178.1-69.4171.1000112.6L151 A157 L159L151-L155 WeakPolarHBondContact O-CG 3.19Å; L151-L155 PolarHBondContact O-N 3.49Å; L155-A157 VanDerWaalsContact C-N 3.35Å; L155-L159 WeakPolarHBondContact O-CB 3.47Å; L155-L159 PolarHBondContact O-N 3.12Å
156S98.5Very high98.2Very high62 Ų6297.6 Ų97.643%0.43451%0.506SS..Hα-helixtrans-64.7-39.7175.1-172.80000111.4R152 T153 F154 N160R152-S156 VanDerWaalsContact O-CB 3.23Å; R152-S156 WeakPolarHBondContact O-CB 3.24Å; R152-S156 PolarHBondContact O-N 3.42Å; T153-S156 PolarHBondContact O-N 3.28Å; F154-S156 VanDerWaalsContact C-N 3.28Å; F154-S156 PolarHBondContact O-N 3.19Å; S156-N160 PolarHBondContact O-N 3.35Å; S156-N160 VanDerWaalsContact O-N 3.08Å; S156-N160 PolarHBondContact O-ND2 3.44Å
157A98.3Very high98.2Very high60 Ų6099.7 Ų99.750%0.49651%0.509SS..Hα-helixtrans-65.3-47.4177.500000111.4T153 F154 L155 L159 N160 L161T153-A157 PolarHBondContact O-N 3.44Å; F154-A157 WeakPolarHBondContact O-CB 3.42Å; F154-A157 PolarHBondContact O-N 2.88Å; L155-A157 VanDerWaalsContact C-N 3.35Å; A157-L159 PolarHBondContact O-N 3.46Å; A157-N160 PolarHBondContact O-N 3.48Å; A157-L161 WeakPolarHBondContact O-CB 3.48Å; A157-L161 PolarHBondContact O-N 2.95Å
158E98.5Very high98.3Very high87 Ų8798 Ų9841%0.40751%0.51SS..Hα-helixtrans-58.9-45.1175.8-66.6-62.1152.100111.7F154 N160 L161 E162F154-E158 HydrophobicContact CD2-CG 4.33Å; F154-E158 HydrophobicContact CE1-CG 4.14Å; F154-E158 HydrophobicContact CE2-CG 3.8Å; F154-E158 WeakPolarHBondContact CE2-OE1 3.25Å; F154-E158 HydrophobicContact CZ-CG 3.69Å; F154-E158 PolarHBondContact O-N 2.92Å; E158-N160 PolarHBondContact O-N 3.41Å; E158-L161 PolarHBondContact O-N 3.01Å; E158-E162 PolarHBondContact O-N 3.07Å
159L98.3Very high98.3Very high119 Ų11998.9 Ų98.962%0.62351%0.514SS*.Hα-helixtrans-61.6-43.6178.5-179.764.4000112.6L155 A157 L161 E162 Q163L155-L159 WeakPolarHBondContact O-CB 3.47Å; L155-L159 PolarHBondContact O-N 3.12Å; A157-L159 PolarHBondContact O-N 3.46Å; L159-L161 VanDerWaalsContact C-N 3.32Å; L159-E162 PolarHBondContact O-N 3.39Å; L159-Q163 WeakPolarHBondContact O-CB 3.27Å; L159-Q163 PolarHBondContact O-N 3.01Å
160N98.1Very high98.3Very high92 Ų9295 Ų9549%0.49251%0.506SS..Hα-helixtrans-67.7-34.9178.4-80.3-87.4000111.7S156 A157 E158 S164S156-N160 PolarHBondContact O-N 3.35Å; S156-N160 VanDerWaalsContact O-N 3.08Å; S156-N160 PolarHBondContact O-ND2 3.44Å; A157-N160 PolarHBondContact O-N 3.48Å; E158-N160 PolarHBondContact O-N 3.41Å; N160-S164 WeakPolarHBondContact O-CB 3.49Å; N160-S164 PolarHBondContact O-N 3.24Å
161L98.3Very high98.3Very high105 Ų10595 Ų9555%0.5551%0.506SS..Hα-helixtrans-67.5-46176-175126000111.5A157 E158 L159 Q163 S164 K165A157-L161 WeakPolarHBondContact O-CB 3.48Å; A157-L161 PolarHBondContact O-N 2.95Å; E158-L161 PolarHBondContact O-N 3.01Å; L159-L161 VanDerWaalsContact C-N 3.32Å; L161-Q163 VanDerWaalsContact C-N 3.32Å; L161-Q163 PolarHBondContact O-N 3.42Å; L161-S164 PolarHBondContact O-N 3.5Å; L161-K165 WeakPolarHBondContact O-CB 3.33Å; L161-K165 PolarHBondContact O-N 2.98Å
162E97.9Very high98.2Very high92 Ų9295.7 Ų95.743%0.4351%0.509SS..Hα-helixtrans-63.6-36.9175.3-72.4-59.2142.600112E158 L159 K165 H166E158-E162 PolarHBondContact O-N 3.07Å; L159-E162 PolarHBondContact O-N 3.39Å; E162-K165 PolarHBondContact O-N 3.38Å; E162-K165 IonicContact OE1-NZ 2.7Å; E162-K165 IonicContact OE2-NZ 3.45Å; E162-H166 WeakPolarHBondContact O-CB 3.33Å; E162-H166 PolarHBondContact O-N 3.07Å
163Q98Very high98.2Very high103 Ų10393.7 Ų93.748%0.48151%0.507SS..Hα-helixtrans-63.2-48.4173.4-177176.8-7.300111.9L159 L161 K165 H166 E167L159-Q163 WeakPolarHBondContact O-CB 3.27Å; L159-Q163 PolarHBondContact O-N 3.01Å; L161-Q163 VanDerWaalsContact C-N 3.32Å; L161-Q163 PolarHBondContact O-N 3.42Å; Q163-K165 VanDerWaalsContact C-N 3.27Å; Q163-K165 PolarHBondContact O-N 3.45Å; Q163-H166 WeakPolarHBondContact O-CB 3.49Å; Q163-H166 PolarHBondContact O-N 3.09Å; Q163-H166 VanDerWaalsContact O-N 3.12Å; Q163-E167 PolarHBondContact NE2-OE1 3.28Å; Q163-E167 WeakPolarHBondContact O-CG 3.24Å; Q163-E167 PolarHBondContact O-N 2.9Å
164S98.3Very high98.2Very high76 Ų7693 Ų9353%0.53150%0.499SS..Hα-helixtrans-61.8-37177.91790000112.1N160 L161 G168N160-S164 WeakPolarHBondContact O-CB 3.49Å; N160-S164 PolarHBondContact O-N 3.24Å; L161-S164 PolarHBondContact O-N 3.5Å; S164-G168 PolarHBondContact O-N 3.18Å; S164-G168 VanDerWaalsContact O-N 3.13Å
165K98.3Very high98.2Very high112 Ų11290.1 Ų90.149%0.48750%0.497SS..Hα-helixtrans-65-43.8173-179.5-176.7168.7-162.40111.5L161 E162 Q163 G168 L169L161-K165 WeakPolarHBondContact O-CB 3.33Å; L161-K165 PolarHBondContact O-N 2.98Å; E162-K165 PolarHBondContact O-N 3.38Å; E162-K165 IonicContact OE1-NZ 2.7Å; E162-K165 IonicContact OE2-NZ 3.45Å; Q163-K165 VanDerWaalsContact C-N 3.27Å; Q163-K165 PolarHBondContact O-N 3.45Å; K165-G168 PolarHBondContact O-N 2.84Å; K165-L169 HydrophobicContact CG-CD1 4.24Å; K165-L169 WeakPolarHBondContact O-CG 3.38Å; K165-L169 PolarHBondContact O-N 2.93Å
166H98.1Very high98.2Very high121 Ų12189.1 Ų89.156%0.5650%0.495SS*.Hα-helixtrans-61.4-43.9177.2-176.160.7000111.8E162 Q163 G168 L169 D170E162-H166 WeakPolarHBondContact O-CB 3.33Å; E162-H166 PolarHBondContact O-N 3.07Å; Q163-H166 WeakPolarHBondContact O-CB 3.49Å; Q163-H166 PolarHBondContact O-N 3.09Å; Q163-H166 VanDerWaalsContact O-N 3.12Å; H166-G168 VanDerWaalsContact C-N 3.3Å; H166-G168 PolarHBondContact O-N 3.09Å; H166-L169 PolarHBondContact O-N 3.15Å; H166-L169 VanDerWaalsContact O-N 3.12Å; H166-D170 WeakPolarHBondContact O-CB 3.35Å; H166-D170 PolarHBondContact O-N 3.12Å
167E98Very high98.1Very high110 Ų11092.9 Ų92.951%0.51451%0.506SS..Hα-helixtrans-58.3-40.8173.7-70.5169.9-170.300112.2Q163 A171Q163-E167 PolarHBondContact NE2-OE1 3.28Å; Q163-E167 WeakPolarHBondContact O-CG 3.24Å; Q163-E167 PolarHBondContact O-N 2.9Å; E167-A171 PolarHBondContact O-N 3.33Å; E167-A171 VanDerWaalsContact O-N 3.16Å
168G98.2Very high98Very high38 Ų3894.9 Ų94.939%0.39251%0.508SS..Hα-helixtrans-66.2-37.7174.700000113.4S164 K165 H166 I172S164-G168 PolarHBondContact O-N 3.18Å; S164-G168 VanDerWaalsContact O-N 3.13Å; K165-G168 PolarHBondContact O-N 2.84Å; H166-G168 VanDerWaalsContact C-N 3.3Å; H166-G168 PolarHBondContact O-N 3.09Å; G168-I172 WeakPolarHBondContact O-CG1 3.42Å; G168-I172 PolarHBondContact O-N 3.49Å
169L98.3Very high98Very high94 Ų9497 Ų9749%0.49252%0.522SS..Hα-helixtrans-69.5-42.6176.8-69.3172.5000111.7K165 H166 A171 I172 E173K165-L169 HydrophobicContact CG-CD1 4.24Å; K165-L169 WeakPolarHBondContact O-CG 3.38Å; K165-L169 PolarHBondContact O-N 2.93Å; H166-L169 PolarHBondContact O-N 3.15Å; H166-L169 VanDerWaalsContact O-N 3.12Å; L169-A171 VanDerWaalsContact C-N 3.32Å; L169-A171 PolarHBondContact O-N 3.12Å; L169-I172 CarbonylContact O-C 3.58Å; L169-I172 WeakPolarHBondContact O-CB 3.28Å; L169-I172 PolarHBondContact O-N 2.86Å; L169-I172 VanDerWaalsContact O-N 3.07Å; L169-E173 PolarHBondContact O-N 2.82Å
170D98.2Very high97.9Very high93 Ų9394.7 Ų94.750%0.49751%0.51SS..Hα-helixtrans-59.9-41176.3-17779.9000111.6H166 I172 E173 N174H166-D170 WeakPolarHBondContact O-CB 3.35Å; H166-D170 PolarHBondContact O-N 3.12Å; D170-I172 VanDerWaalsContact C-N 3.3Å; D170-I172 PolarHBondContact O-N 3.32Å; D170-E173 PolarHBondContact O-N 2.87Å; D170-N174 WeakPolarHBondContact O-CB 3.43Å; D170-N174 PolarHBondContact O-N 3.43Å
171A98.3Very high97.8Very high60 Ų6094.3 Ų94.350%0.49652%0.519SS..Hα-helixtrans-62.8-35.8174.200000112.9E167 L169 A175E167-A171 PolarHBondContact O-N 3.33Å; E167-A171 VanDerWaalsContact O-N 3.16Å; L169-A171 VanDerWaalsContact C-N 3.32Å; L169-A171 PolarHBondContact O-N 3.12Å; A171-A175 PolarHBondContact O-N 3.19Å; A171-A175 VanDerWaalsContact O-N 3.13Å
172I98.4Very high97.7Very high106 Ų10693.6 Ų93.654%0.54452%0.52SS..Hα-helixtrans-72.7-43175.5-65.8166.1000110.2G168 L169 D170 N174 A175 V176G168-I172 WeakPolarHBondContact O-CG1 3.42Å; G168-I172 PolarHBondContact O-N 3.49Å; L169-I172 CarbonylContact O-C 3.58Å; L169-I172 WeakPolarHBondContact O-CB 3.28Å; L169-I172 PolarHBondContact O-N 2.86Å; L169-I172 VanDerWaalsContact O-N 3.07Å; D170-I172 VanDerWaalsContact C-N 3.3Å; D170-I172 PolarHBondContact O-N 3.32Å; I172-N174 VanDerWaalsContact C-N 3.31Å; I172-N174 PolarHBondContact O-N 2.91Å; I172-A175 CarbonylContact O-C 3.58Å; I172-A175 WeakPolarHBondContact O-CA 3.34Å; I172-A175 WeakPolarHBondContact O-CB 3.14Å; I172-A175 PolarHBondContact O-N 3.26Å; I172-V176 HydrophobicContact CG2-CG2 4.38Å; I172-V176 WeakPolarHBondContact O-CG2 3.34Å; I172-V176 PolarHBondContact O-N 2.73Å
173E97.9Very high97.6Very high117 Ų11791 Ų9155%0.54751%0.512SS..Hα-helixtrans-56.8-46.7175.7-174.2168.2-157.800110.7L169 D170 A175 V176 E177L169-E173 PolarHBondContact O-N 2.82Å; D170-E173 PolarHBondContact O-N 2.87Å; E173-A175 VanDerWaalsContact C-N 3.32Å; E173-A175 PolarHBondContact O-N 2.83Å; E173-V176 WeakPolarHBondContact O-CB 3.48Å; E173-V176 PolarHBondContact O-N 3.28Å; E173-V176 VanDerWaalsContact O-N 3.09Å; E173-E177 WeakPolarHBondContact O-CG 3.36Å; E173-E177 PolarHBondContact O-N 3.05Å
174N98Very high97.6Very high83 Ų8389.8 Ų89.844%0.44451%0.508SS..Hα-helixtrans-60.5-39.3173.4-169.9-96.5000112.8D170 I172 V176 E177 N178D170-N174 WeakPolarHBondContact O-CB 3.43Å; D170-N174 PolarHBondContact O-N 3.43Å; I172-N174 VanDerWaalsContact C-N 3.31Å; I172-N174 PolarHBondContact O-N 2.91Å; N174-V176 VanDerWaalsContact C-N 3.32Å; N174-E177 PolarHBondContact O-N 3.16Å; N174-N178 WeakPolarHBondContact O-CB 3.38Å; N174-N178 PolarHBondContact O-N 2.9Å; N174-N178 VanDerWaalsContact O-N 3.12Å; N174-N178 PolarHBondContact O-ND2 3.44Å; N174-N178 PolarHBondContact OD1-ND2 2.95Å
175A98.1Very high97.6Very high55 Ų5591.8 Ų91.846%0.45551%0.508SS..Hα-helixtrans-66-34.9175.500000112.4A171 I172 E173 N178A171-A175 PolarHBondContact O-N 3.19Å; A171-A175 VanDerWaalsContact O-N 3.13Å; I172-A175 CarbonylContact O-C 3.58Å; I172-A175 WeakPolarHBondContact O-CA 3.34Å; I172-A175 WeakPolarHBondContact O-CB 3.14Å; I172-A175 PolarHBondContact O-N 3.26Å; E173-A175 VanDerWaalsContact C-N 3.32Å; E173-A175 PolarHBondContact O-N 2.83Å; A175-N178 PolarHBondContact O-N 3.19Å
176V97.8Very high97.5Very high87 Ų8791.8 Ų91.853%0.52751%0.509SS..Hα-helixtrans-67.1-44.8174.9170.60000110.8I172 E173 N174 N178 L179I172-V176 HydrophobicContact CG2-CG2 4.38Å; I172-V176 WeakPolarHBondContact O-CG2 3.34Å; I172-V176 PolarHBondContact O-N 2.73Å; E173-V176 WeakPolarHBondContact O-CB 3.48Å; E173-V176 PolarHBondContact O-N 3.28Å; E173-V176 VanDerWaalsContact O-N 3.09Å; N174-V176 VanDerWaalsContact C-N 3.32Å; V176-N178 PolarHBondContact O-N 2.71Å; V176-L179 HydrophobicContact CG1-CD1 4.46Å; V176-L179 WeakPolarHBondContact O-CB 3.3Å; V176-L179 WeakPolarHBondContact O-CG 3.45Å; V176-L179 PolarHBondContact O-N 3.07Å; V176-L179 VanDerWaalsContact O-N 3.15Å
177E96.6Very high97.4Very high140 Ų14092.7 Ų92.765%0.65451%0.508SS*.Hα-helixtrans-61.5-29.8175.6-69.9-179.6161.700112.8E173 N174 L179E173-E177 WeakPolarHBondContact O-CG 3.36Å; E173-E177 PolarHBondContact O-N 3.05Å; N174-E177 PolarHBondContact O-N 3.16Å; E177-L179 VanDerWaalsContact C-N 3.3Å; E177-L179 PolarHBondContact O-N 2.99Å
178N97Very high97.4Very high102 Ų10291.3 Ų91.355%0.54550%0.503SS..THydrogen-bonded Turntrans-84.24.4179.3-71-39.7000114.1N174 A175 V176 D180N174-N178 WeakPolarHBondContact O-CB 3.38Å; N174-N178 PolarHBondContact O-N 2.9Å; N174-N178 VanDerWaalsContact O-N 3.12Å; N174-N178 PolarHBondContact O-ND2 3.44Å; N174-N178 PolarHBondContact OD1-ND2 2.95Å; A175-N178 PolarHBondContact O-N 3.19Å; V176-N178 PolarHBondContact O-N 2.71Å; N178-D180 PolarHBondContact O-N 3.5Å; N178-D180 VanDerWaalsContact O-N 3.08Å
179L97.6Very high97.3Very high133 Ų13393.5 Ų93.570%0.69650%0.504SS*.  trans-66.2106.5174.1-71.3172.9000110.4V176 E177V176-L179 HydrophobicContact CG1-CD1 4.46Å; V176-L179 WeakPolarHBondContact O-CB 3.3Å; V176-L179 WeakPolarHBondContact O-CG 3.45Å; V176-L179 PolarHBondContact O-N 3.07Å; V176-L179 VanDerWaalsContact O-N 3.15Å; E177-L179 VanDerWaalsContact C-N 3.3Å; E177-L179 PolarHBondContact O-N 2.99Å
180D97.1Very high97.2Very high70 Ų7094.5 Ų94.537%0.37451%0.507SS..  trans-136102.4-177.3-178.6-11.2000111.2N178 T182 S183 D184N178-D180 PolarHBondContact O-N 3.5Å; N178-D180 VanDerWaalsContact O-N 3.08Å; D180-T182 PolarHBondContact O-N 3.17Å; D180-T182 WeakPolarHBondContact OD1-CA 3.35Å; D180-T182 WeakPolarHBondContact OD1-CB 3.38Å; D180-T182 PolarHBondContact OD1-N 2.91Å; D180-T182 PolarHBondContact OD1-OG1 2.96Å; D180-S183 PolarHBondContact O-N 2.97Å; D180-S183 PolarHBondContact OD1-N 3.02Å; D180-S183 VanDerWaalsContact OD1-N 3.12Å; D180-S183 WeakPolarHBondContact OD2-CB 3.47Å; D180-D184 PolarHBondContact O-N 3.07Å
181A95.1Very high97.2Very high83 Ų8396.2 Ų96.269%0.68651%0.513SS*.Hα-helixtrans-60.6-28.7179.200000113.4K185A181-K185 VanDerWaalsContact O-CB 3.28Å; A181-K185 WeakPolarHBondContact O-CB 3.3Å; A181-K185 PolarHBondContact O-N 3.38Å
182T96.2Very high97Very high91 Ų9199.3 Ų99.356%0.55851%0.513SS*.Hα-helixtrans-77.3-40.9179.865.50000111.9D180 K185 Q186D180-T182 PolarHBondContact O-N 3.17Å; D180-T182 WeakPolarHBondContact OD1-CA 3.35Å; D180-T182 WeakPolarHBondContact OD1-CB 3.38Å; D180-T182 PolarHBondContact OD1-N 2.91Å; D180-T182 PolarHBondContact OD1-OG1 2.96Å; T182-K185 PolarHBondContact O-N 3.41Å; T182-Q186 PolarHBondContact O-N 2.81Å
183S97Very high96.8Very high38 Ų3898.6 Ų98.627%0.26651%0.51SS..Hα-helixtrans-63.2-43.3172.1-1760000111.3D180 K185 Q186 R187D180-S183 PolarHBondContact O-N 2.97Å; D180-S183 PolarHBondContact OD1-N 3.02Å; D180-S183 VanDerWaalsContact OD1-N 3.12Å; D180-S183 WeakPolarHBondContact OD2-CB 3.47Å; S183-K185 PolarHBondContact O-N 3.28Å; S183-Q186 WeakPolarHBondContact O-CB 3.25Å; S183-Q186 PolarHBondContact O-N 3.43Å; S183-R187 PolarHBondContact O-N 3.21Å
184D97.8Very high96.6Very high76 Ų76100.2 Ų100.241%0.40652%0.523SS..Hα-helixtrans-63-42.9175.3-74.4-22.3000112.6D180 Q186 R187 L188D180-D184 PolarHBondContact O-N 3.07Å; D184-Q186 VanDerWaalsContact C-N 3.31Å; D184-Q186 PolarHBondContact O-N 3.18Å; D184-R187 PolarHBondContact O-N 3.39Å; D184-R187 IonicContact OD1-CZ 2.79Å; D184-R187 IonicContact OD1-NE 2.66Å; D184-R187 PolarHBondContact OD1-NE 3.2Å; D184-R187 IonicContact OD1-NH2 2.75Å; D184-R187 PolarHBondContact OD1-NH2 3.03Å; D184-L188 WeakPolarHBondContact O-CB 3.38Å; D184-L188 PolarHBondContact O-N 2.7Å
185K97.3Very high96.5Very high119 Ų119101.4 Ų101.452%0.51753%0.532SS..Hα-helixtrans-59.5-42.2173-178.6-165.871.4-174.70111.4A181 T182 S183 L188 M189A181-K185 VanDerWaalsContact O-CB 3.28Å; A181-K185 WeakPolarHBondContact O-CB 3.3Å; A181-K185 PolarHBondContact O-N 3.38Å; T182-K185 PolarHBondContact O-N 3.41Å; S183-K185 PolarHBondContact O-N 3.28Å; K185-L188 WeakPolarHBondContact O-CB 3.46Å; K185-L188 PolarHBondContact O-N 3.18Å; K185-M189 HydrophobicContact CG-SD 4.23Å; K185-M189 VanDerWaalsContact O-CG 3.31Å; K185-M189 WeakPolarHBondContact O-CG 3.42Å; K185-M189 PolarHBondContact O-N 3.04Å
186Q96.1Very high96.3Very high112 Ų112103.5 Ų103.552%0.52353%0.532SS..Hα-helixtrans-62.4-49.6177.2179.3175.4-6.200111.1T182 S183 D184 L188 M189 E190T182-Q186 PolarHBondContact O-N 2.81Å; S183-Q186 WeakPolarHBondContact O-CB 3.25Å; S183-Q186 PolarHBondContact O-N 3.43Å; D184-Q186 VanDerWaalsContact C-N 3.31Å; D184-Q186 PolarHBondContact O-N 3.18Å; Q186-L188 VanDerWaalsContact C-N 3.26Å; Q186-L188 PolarHBondContact O-N 2.91Å; Q186-M189 PolarHBondContact O-N 3.37Å; Q186-M189 VanDerWaalsContact O-N 3.15Å; Q186-E190 HydrophobicContact CG-CG 4.4Å; Q186-E190 VanDerWaalsContact CG-OE1 3.25Å; Q186-E190 WeakPolarHBondContact CG-OE1 3.4Å; Q186-E190 PolarHBondContact NE2-OE1 2.69Å; Q186-E190 WeakPolarHBondContact O-CB 3.49Å; Q186-E190 WeakPolarHBondContact O-CG 3.49Å; Q186-E190 PolarHBondContact O-N 3.43Å
187R97.2Very high96Very high140 Ų140102.8 Ų102.853%0.52853%0.529SS..Hα-helixtrans-56-41.4174.8-75.7-170.4-80.9-126.12.6112.1S183 D184 M191S183-R187 PolarHBondContact O-N 3.21Å; D184-R187 PolarHBondContact O-N 3.39Å; D184-R187 IonicContact OD1-CZ 2.79Å; D184-R187 IonicContact OD1-NE 2.66Å; D184-R187 PolarHBondContact OD1-NE 3.2Å; D184-R187 IonicContact OD1-NH2 2.75Å; D184-R187 PolarHBondContact OD1-NH2 3.03Å; R187-M191 WeakPolarHBondContact O-CB 3.35Å; R187-M191 PolarHBondContact O-N 3.49Å
188L97.5Very high95.8Very high80 Ų80101.1 Ų101.142%0.41953%0.531SS..Hα-helixtrans-62.8-47.1176.9-177.272.4000111.7D184 K185 Q186 M191 Y192D184-L188 WeakPolarHBondContact O-CB 3.38Å; D184-L188 PolarHBondContact O-N 2.7Å; K185-L188 WeakPolarHBondContact O-CB 3.46Å; K185-L188 PolarHBondContact O-N 3.18Å; Q186-L188 VanDerWaalsContact C-N 3.26Å; Q186-L188 PolarHBondContact O-N 2.91Å; L188-M191 HydrophobicContact CD1-CE 4.14Å; L188-M191 PolarHBondContact O-N 2.85Å; L188-Y192 HydrophobicContact CD1-CD2 3.66Å; L188-Y192 HydrophobicContact CD1-CE2 3.65Å; L188-Y192 HydrophobicContact CG-CD2 4.3Å; L188-Y192 WeakPolarHBondContact O-CD2 3.34Å; L188-Y192 PolarHBondContact O-N 3.22Å
189M97.1Very high95.6Very high84 Ų84101.7 Ų101.741%0.41454%0.54SS..Hα-helixtrans-65.7-38.4179.9-70.9-178.274.100112.1K185 Q186 Y192 N193 F196K185-M189 HydrophobicContact CG-SD 4.23Å; K185-M189 VanDerWaalsContact O-CG 3.31Å; K185-M189 WeakPolarHBondContact O-CG 3.42Å; K185-M189 PolarHBondContact O-N 3.04Å; Q186-M189 PolarHBondContact O-N 3.37Å; Q186-M189 VanDerWaalsContact O-N 3.15Å; M189-Y192 CarbonylContact O-C 3.34Å; M189-Y192 VanDerWaalsContact O-C 3.31Å; M189-N193 VanDerWaalsContact O-CA 3.28Å; M189-N193 WeakPolarHBondContact O-CA 3.29Å; M189-N193 PolarHBondContact O-N 3.38Å; M189-N193 VanDerWaalsContact O-N 3.08Å; M189-F196 HydrophobicContact CB-CD2 4.2Å; M189-F196 HydrophobicContact CE-CB 4.13Å; M189-F196 HydrophobicContact CE-CG 4.36Å; M189-F196 HydrophobicContact CG-CD2 4.1Å; M189-F196 HydrophobicContact CG-CE2 4.33Å; M189-F196 HydrophobicContact CG-CG 4.24Å
190E95.8Very high95.3Very high116 Ų116103.8 Ų103.854%0.54255%0.549SS..Hα-helixtrans-68.4-44.6175.6-71.8171.6-176.100111.8Q186 Y192 N193Q186-E190 HydrophobicContact CG-CG 4.4Å; Q186-E190 VanDerWaalsContact CG-OE1 3.25Å; Q186-E190 WeakPolarHBondContact CG-OE1 3.4Å; Q186-E190 PolarHBondContact NE2-OE1 2.69Å; Q186-E190 WeakPolarHBondContact O-CB 3.49Å; Q186-E190 WeakPolarHBondContact O-CG 3.49Å; Q186-E190 PolarHBondContact O-N 3.43Å; E190-Y192 VanDerWaalsContact C-N 3.29Å; E190-Y192 PolarHBondContact O-N 3.46Å; E190-N193 WeakPolarHBondContact O-CB 3.28Å; E190-N193 PolarHBondContact O-N 3.49Å
191M96.9Very high95.2Very high129 Ų129108.4 Ų108.464%0.63557%0.565SS**Hα-helixtrans-61.1-39.3177.7179.216852.100111.8R187 L188R187-M191 WeakPolarHBondContact O-CB 3.35Å; R187-M191 PolarHBondContact O-N 3.49Å; L188-M191 HydrophobicContact CD1-CE 4.14Å; L188-M191 PolarHBondContact O-N 2.85Å
192Y95.3Very high95.1Very high124 Ų124113.6 Ų113.649%0.48657%0.573SS.*THydrogen-bonded Turntrans-106.842177.2-62.3-72.2000112.2L188 M189 E190 N194 V195 F196L188-Y192 HydrophobicContact CD1-CD2 3.66Å; L188-Y192 HydrophobicContact CD1-CE2 3.65Å; L188-Y192 HydrophobicContact CG-CD2 4.3Å; L188-Y192 WeakPolarHBondContact O-CD2 3.34Å; L188-Y192 PolarHBondContact O-N 3.22Å; M189-Y192 CarbonylContact O-C 3.34Å; M189-Y192 VanDerWaalsContact O-C 3.31Å; E190-Y192 VanDerWaalsContact C-N 3.29Å; E190-Y192 PolarHBondContact O-N 3.46Å; Y192-N194 PolarHBondContact O-N 2.9Å; Y192-N194 VanDerWaalsContact O-N 3.08Å; Y192-V195 WeakPolarHBondContact O-CB 3.36Å; Y192-V195 PolarHBondContact O-N 3.3Å; Y192-F196 WeakPolarHBondContact O-CD2 3.35Å; Y192-F196 PolarHBondContact O-N 3.06Å
193N94.7Very high95Very high92 Ų92115 Ų11549%0.49257%0.573SS.*Hα-helixtrans-50.4-40.1-176.5179.350.9000113.3M189 E190 V195 F196 C197M189-N193 VanDerWaalsContact O-CA 3.28Å; M189-N193 WeakPolarHBondContact O-CA 3.29Å; M189-N193 PolarHBondContact O-N 3.38Å; M189-N193 VanDerWaalsContact O-N 3.08Å; E190-N193 WeakPolarHBondContact O-CB 3.28Å; E190-N193 PolarHBondContact O-N 3.49Å; N193-V195 PolarHBondContact O-N 3.49Å; N193-F196 PolarHBondContact O-N 3Å; N193-C197 WeakPolarHBondContact O-CB 3.48Å; N193-C197 PolarHBondContact O-N 3.12Å
194N92.7Very high94.8Very high151 Ų151118.9 Ų118.981%0.80759%0.585SS**Hα-helixtrans-63.8-23.8-179.9-62.7-14.4000113.7Y192Y192-N194 PolarHBondContact O-N 2.9Å; Y192-N194 VanDerWaalsContact O-N 3.08Å
195V96.1Very high94.6Very high107 Ų107122.3 Ų122.365%0.64860%0.599SS**Hα-helixtrans-81.9-38.2178.5-179.20000110.9Y192 N193Y192-V195 WeakPolarHBondContact O-CB 3.36Å; Y192-V195 PolarHBondContact O-N 3.3Å; N193-V195 PolarHBondContact O-N 3.49Å
196F92.9Very high94.4Very high100 Ų100120 Ų12044%0.43960%0.596SS.*Hα-helixtrans-99.5-7-173.8-60.7-71000114.1M189 Y192 N193M189-F196 HydrophobicContact CB-CD2 4.2Å; M189-F196 HydrophobicContact CE-CB 4.13Å; M189-F196 HydrophobicContact CE-CG 4.36Å; M189-F196 HydrophobicContact CG-CD2 4.1Å; M189-F196 HydrophobicContact CG-CE2 4.33Å; M189-F196 HydrophobicContact CG-CG 4.24Å; Y192-F196 WeakPolarHBondContact O-CD2 3.35Å; Y192-F196 PolarHBondContact O-N 3.06Å; N193-F196 PolarHBondContact O-N 3Å
197C91.9Very high94.3Very high71 Ų71121.9 Ų121.948%0.4861%0.605SS.*SBendtrans-63.1126.8177.3-173.80000110.1N193N193-C197 WeakPolarHBondContact O-CB 3.48Å; N193-C197 PolarHBondContact O-N 3.12Å
198P92.8Very high93.9Very high105 Ų105123.4 Ų123.468%0.68262%0.62SS**PPolyproline II helixtrans-64.7140.3179.426.2-33.6000110.9
199P92.1Very high93.5Very high114 Ų114122.4 Ų122.474%0.7463%0.629SS**PPolyproline II helixtrans-67.5163.6175.829.7-35.3000111.3K201P199-K201 PolarHBondContact O-N 3.35Å
200M92.6Very high93.4Very high178 Ų178122.2 Ų122.288%0.87763%0.63SS**PPolyproline II helixtrans-58.8140.3171.7-66.9-168.377.500110.5F202M200-F202 PolarHBondContact O-N 3.29Å
201K94Very high93.1Very high166 Ų166125.5 Ų125.572%0.72265%0.647SS**PPolyproline II helixtrans-61.9137.3176.8-170.9-172.3171.4-155.90109.7P199 E203P199-K201 PolarHBondContact O-N 3.35Å; K201-E203 PolarHBondContact O-N 3.22Å
202F92.8Very high92.8Very high192 Ų192121.9 Ų121.984%0.84264%0.638SS**PPolyproline II helixtrans-68130.5171.3-62.4-72.1000110.5M200M200-F202 PolarHBondContact O-N 3.29Å
203E94.8Very high92.5Very high121 Ų121120.3 Ų120.357%0.56565%0.645SS**  trans-109.1146.4176.8-65-59.3152.300110.2K201 Q205K201-E203 PolarHBondContact O-N 3.22Å; E203-Q205 PolarHBondContact O-N 3.12Å; E203-Q205 PolarHBondContact O-NE2 2.66Å
204F92.9Very high92.3Very high119 Ų119124 Ų12452%0.52266%0.66SS.*  trans-57.3128.1174.7172.6-103000109.9P206 A212F204-P206 HydrophobicContact CD1-CG 4.22Å; F204-P206 HydrophobicContact CE1-CB 4.28Å; F204-P206 HydrophobicContact CE1-CG 4.04Å; F204-P206 WeakPolarHBondContact O-CD 3.35Å; F204-A212 WeakPolarHBondContact CE1-O 3.5Å
205Q94Very high92.2Very high148 Ų148120.2 Ų120.269%0.69264%0.639SS**  trans-103.8108.3179.4-64-56.7-51.900109.3E203 H207E203-Q205 PolarHBondContact O-N 3.12Å; E203-Q205 PolarHBondContact O-NE2 2.66Å; Q205-H207 PolarHBondContact O-N 2.82Å
206P93.3Very high92Very high72 Ų72118.8 Ų118.847%0.46863%0.633SS.*  trans-61.8126.1178.5-21.833.2000111.1F204 D210F204-P206 HydrophobicContact CD1-CG 4.22Å; F204-P206 HydrophobicContact CE1-CB 4.28Å; F204-P206 HydrophobicContact CE1-CG 4.04Å; F204-P206 WeakPolarHBondContact O-CD 3.35Å; P206-D210 HydrophobicContact CB-CB 4.35Å; P206-D210 WeakPolarHBondContact CB-O 3.35Å
207H92.3Very high91.8Very high151 Ų151114.6 Ų114.670%0.69962%0.616SS**SBendtrans-88.2127.2177.1179.2-101.5000109.8Q205 G209 D210Q205-H207 PolarHBondContact O-N 2.82Å; H207-G209 VanDerWaalsContact C-N 3.26Å; H207-G209 PolarHBondContact O-N 3.07Å; H207-D210 WeakPolarHBondContact O-CB 3.13Å; H207-D210 PolarHBondContact O-N 3.02Å; H207-D210 VanDerWaalsContact O-N 3.12Å
208M89.4Confident91.6Very high171 Ų171118 Ų11884%0.84263%0.625SS**THydrogen-bonded Turntrans54.636.2174.4-61.9-69-8000114.8
209G90Very high91.4Very high60 Ų60119.2 Ų119.262%0.61962%0.622SS**THydrogen-bonded Turntrans75.923.9178.700000114.3H207 M211H207-G209 VanDerWaalsContact C-N 3.26Å; H207-G209 PolarHBondContact O-N 3.07Å; G209-M211 PolarHBondContact O-N 3.18Å
210D94.8Very high91.1Very high80 Ų80118.3 Ų118.343%0.42862%0.616SS.*  trans-51.1124.6170.6-169.2-5.1000110.9P206 H207 A212P206-D210 HydrophobicContact CB-CB 4.35Å; P206-D210 WeakPolarHBondContact CB-O 3.35Å; H207-D210 WeakPolarHBondContact O-CB 3.13Å; H207-D210 PolarHBondContact O-N 3.02Å; H207-D210 VanDerWaalsContact O-N 3.12Å; D210-A212 WeakPolarHBondContact OD1-CB 3.4Å; D210-A212 PolarHBondContact OD1-N 3.13Å
211M89.7Confident91.1Very high184 Ų184112.9 Ų112.991%0.90659%0.593SS**  trans-86.9-13.4-179.3-64.3-65.5-144.200112.1G209G209-M211 PolarHBondContact O-N 3.18Å
212A89.4Confident90.9Very high54 Ų54107.8 Ų107.845%0.44657%0.571SS.*  trans-82.8128.6177.800000110.6F204 D210F204-A212 WeakPolarHBondContact CE1-O 3.5Å; D210-A212 WeakPolarHBondContact OD1-CB 3.4Å; D210-A212 PolarHBondContact OD1-N 3.13Å
213S88.7Confident90.8Very high90 Ų90101.9 Ų101.963%0.62955%0.554SS**  trans-128.67.1178.454.20000113.1
214Q91Very high90.7Very high171 Ų171102.4 Ų102.480%0.79956%0.557SS**SBendtrans-139.2161.8-174.9-62.9-176.3-12.800110.1C216Q214-C216 PolarHBondContact O-N 2.81Å
215L91.4Very high90.7Very high70 Ų7098.3 Ų98.337%0.36654%0.54SS..  trans-61.9131.2176.4-73.8179.7000111.3L332 L333 T336L215-L332 HydrophobicContact CD1-CD2 3.96Å; L215-L332 HydrophobicContact CD1-CG 3.7Å; L215-L332 HydrophobicContact CG-CD2 4.22Å; L215-L332 HydrophobicContact CG-CG 4.31Å; L215-L333 HydrophobicContact CD1-CD2 3.86Å; L215-L333 HydrophobicContact CD1-CG 4.44Å; L215-T336 HydrophobicContact CB-CG2 3.93Å
216C90.7Very high90.7Very high77 Ų7793.9 Ų93.952%0.5252%0.523SS..  trans-88.6112.3171.1-175.70000109.9Q214 V221 L225Q214-C216 PolarHBondContact O-N 2.81Å; C216-V221 WeakPolarHBondContact O-CG2 3.46Å; C216-L225 WeakPolarHBondContact O-CD1 3.3Å
217A89.9Confident90.7Very high12 Ų1296.4 Ų96.410%0.09953%0.529CS..  trans-11039.3178.500000112.7Q222 L225 T336 L337A217-Q222 WeakPolarHBondContact O-CB 3.44Å; A217-Q222 VanDerWaalsContact O-CG 3.31Å; A217-Q222 WeakPolarHBondContact O-CG 2.86Å; A217-L225 HydrophobicContact CB-CD1 4.2Å; A217-T336 HydrophobicContact CB-CG2 3.72Å; A217-L337 HydrophobicContact CB-CD2 4.12Å
218Q87.2Confident90.8Very high143 Ų14396.2 Ų96.267%0.66852%0.522SS*.  trans-90.9164.3174.5-63.1-177.91.100111.3V221 Q222Q218-V221 WeakPolarHBondContact O-CG2 3.44Å; Q218-V221 PolarHBondContact O-N 3.25Å; Q218-V221 VanDerWaalsContact O-N 3.15Å; Q218-Q222 PolarHBondContact O-N 3.39Å
219Q88.5Confident91.1Very high130 Ų13088.5 Ų88.561%0.60748%0.484SS*.THydrogen-bonded Turntrans-68.4140174.7-68.8-67.8-25.800110.5
220P86.7Confident91.2Very high96 Ų9691.8 Ų91.862%0.62348%0.483SS*.THydrogen-bonded Turncis-90.3-11.39.135.3-35.7000115.2Q222 S223P220-Q222 PolarHBondContact O-N 3.27Å; P220-S223 PolarHBondContact O-OG 2.83Å
221V91.4Very high91.3Very high63 Ų6393.3 Ų93.338%0.38249%0.488SS..Hα-helixtrans-69.1-20.4-171.7-62.60000113.6C216 Q218 S223 E224 L225C216-V221 WeakPolarHBondContact O-CG2 3.46Å; Q218-V221 WeakPolarHBondContact O-CG2 3.44Å; Q218-V221 PolarHBondContact O-N 3.25Å; Q218-V221 VanDerWaalsContact O-N 3.15Å; V221-S223 VanDerWaalsContact C-N 3.34Å; V221-S223 PolarHBondContact O-N 3.04Å; V221-E224 PolarHBondContact O-N 2.78Å; V221-L225 WeakPolarHBondContact O-CG 3.4Å; V221-L225 PolarHBondContact O-N 3.48Å
222Q90.9Very high91.6Very high59 Ų5985.4 Ų85.428%0.27645%0.449SS..Hα-helixtrans-56.7-41.3179.9-168.9-176.432.200113.5A217 Q218 P220 E224 L225 V226 L337A217-Q222 WeakPolarHBondContact O-CB 3.44Å; A217-Q222 VanDerWaalsContact O-CG 3.31Å; A217-Q222 WeakPolarHBondContact O-CG 2.86Å; Q218-Q222 PolarHBondContact O-N 3.39Å; P220-Q222 PolarHBondContact O-N 3.27Å; Q222-E224 PolarHBondContact O-N 2.84Å; Q222-L225 PolarHBondContact O-N 3.24Å; Q222-V226 WeakPolarHBondContact O-CG2 3.38Å; Q222-V226 PolarHBondContact O-N 3.33Å; Q222-L337 HydrophobicContact CG-CD2 4.36Å
223S89.6Confident91.9Very high69 Ų6986.9 Ų86.948%0.48345%0.447SS..Hα-helixtrans-66-39.2-178.948.70000112.3P220 V221 V226 Q227P220-S223 PolarHBondContact O-OG 2.83Å; V221-S223 VanDerWaalsContact C-N 3.34Å; V221-S223 PolarHBondContact O-N 3.04Å; S223-V226 PolarHBondContact O-N 3.26Å; S223-Q227 PolarHBondContact O-N 3.12Å
224E93.5Very high92.2Very high131 Ų13186 Ų8661%0.61244%0.441SS*.Hα-helixtrans-66.7-41.2175.9-65.9176.6-146.800111.3V221 Q222 V226 Q227 R228V221-E224 PolarHBondContact O-N 2.78Å; Q222-E224 PolarHBondContact O-N 2.84Å; E224-V226 PolarHBondContact O-N 3.08Å; E224-Q227 PolarHBondContact O-N 3Å; E224-R228 VanDerWaalsContact O-CB 3.29Å; E224-R228 WeakPolarHBondContact O-CB 3.47Å; E224-R228 PolarHBondContact O-N 2.93Å
225L92.9Very high92.5Very high34 Ų3483 Ų8318%0.17842%0.422CS..Hα-helixtrans-64.2-38.6176.6-65.9177.6000112.1C216 A217 V221 Q222 R228 C229 L333 L337C216-L225 WeakPolarHBondContact O-CD1 3.3Å; A217-L225 HydrophobicContact CB-CD1 4.2Å; V221-L225 WeakPolarHBondContact O-CG 3.4Å; V221-L225 PolarHBondContact O-N 3.48Å; Q222-L225 PolarHBondContact O-N 3.24Å; L225-R228 PolarHBondContact O-N 3.46Å; L225-C229 WeakPolarHBondContact O-CB 3.18Å; L225-C229 PolarHBondContact O-N 3.12Å; L225-L333 HydrophobicContact CB-CD2 4.28Å; L225-L333 HydrophobicContact CD2-CD2 3.76Å; L225-L333 HydrophobicContact CG-CD2 4.47Å; L225-L337 HydrophobicContact CB-CD2 4.36Å
226V92.6Very high92.8Very high54 Ų5479.7 Ų79.733%0.32741%0.405SS..Hα-helixtrans-64.3-47.4174.7170.70000111Q222 S223 E224 R228 C229 Q230 L337Q222-V226 WeakPolarHBondContact O-CG2 3.38Å; Q222-V226 PolarHBondContact O-N 3.33Å; S223-V226 PolarHBondContact O-N 3.26Å; E224-V226 PolarHBondContact O-N 3.08Å; V226-R228 VanDerWaalsContact C-N 3.31Å; V226-R228 PolarHBondContact O-N 3.2Å; V226-C229 WeakPolarHBondContact O-CB 3.46Å; V226-C229 PolarHBondContact O-N 3.19Å; V226-Q230 WeakPolarHBondContact O-CG 3.4Å; V226-Q230 PolarHBondContact O-N 3.22Å; V226-L337 HydrophobicContact CG2-CD1 4.02Å; V226-L337 HydrophobicContact CG2-CD2 3.81Å; V226-L337 HydrophobicContact CG2-CG 4.48Å
227Q93.8Very high93.1Very high126 Ų12678.4 Ų78.459%0.58940%0.396SS*.Hα-helixtrans-60.8-43177.3-173.5178.5-1.400111.1S223 E224 C229 Q230 Q231S223-Q227 PolarHBondContact O-N 3.12Å; E224-Q227 PolarHBondContact O-N 3Å; Q227-C229 PolarHBondContact O-N 3.16Å; Q227-Q230 PolarHBondContact O-N 3.48Å; Q227-Q231 WeakPolarHBondContact O-CB 3.43Å; Q227-Q231 PolarHBondContact O-N 2.76Å
228R95.7Very high93.5Very high147 Ų14782.2 Ų82.256%0.55542%0.419SS*.Hα-helixtrans-64.7-37.8177-168.4163.5-171.91554.4112.5E224 L225 V226 Q231 L232 L333E224-R228 VanDerWaalsContact O-CB 3.29Å; E224-R228 WeakPolarHBondContact O-CB 3.47Å; E224-R228 PolarHBondContact O-N 2.93Å; L225-R228 PolarHBondContact O-N 3.46Å; V226-R228 VanDerWaalsContact C-N 3.31Å; V226-R228 PolarHBondContact O-N 3.2Å; R228-Q231 PolarHBondContact O-N 2.89Å; R228-L232 HydrophobicContact CG-CD1 4.45Å; R228-L232 WeakPolarHBondContact O-CB 3.24Å; R228-L232 VanDerWaalsContact O-CG 3.29Å; R228-L232 WeakPolarHBondContact O-CG 3.46Å; R228-L232 PolarHBondContact O-N 3.11Å; R228-L333 HydrophobicContact CG-CD1 4.44Å
229C94.3Very high93.9Very high8 Ų876.7 Ų76.75%0.05439%0.394CS..Hα-helixtrans-62.6-45.1175.2-162.40000111.3L225 V226 Q227 L232 Q233 L333 L337L225-C229 WeakPolarHBondContact O-CB 3.18Å; L225-C229 PolarHBondContact O-N 3.12Å; V226-C229 WeakPolarHBondContact O-CB 3.46Å; V226-C229 PolarHBondContact O-N 3.19Å; Q227-C229 PolarHBondContact O-N 3.16Å; C229-L232 PolarHBondContact O-N 3.14Å; C229-Q233 WeakPolarHBondContact O-CB 3.31Å; C229-Q233 PolarHBondContact O-N 2.96Å; C229-L333 HydrophobicContact CB-CB 4.28Å; C229-L337 HydrophobicContact CB-CD1 3.82Å
230Q93.4Very high94.4Very high129 Ų12974.8 Ų74.860%0.60338%0.384SS*.Hα-helixtrans-64.5-41.7176.8-68.9173.2-1.100112.2V226 Q227 Q233 S234V226-Q230 WeakPolarHBondContact O-CG 3.4Å; V226-Q230 PolarHBondContact O-N 3.22Å; Q227-Q230 PolarHBondContact O-N 3.48Å; Q230-Q233 PolarHBondContact O-N 3.41Å; Q230-S234 PolarHBondContact O-N 3.4Å; Q230-S234 PolarHBondContact O-OG 3.35Å
231Q95.3Very high94.9Very high112 Ų11275.4 Ų75.452%0.52338%0.38SS..Hα-helixtrans-64.2-39.6176.3-168.4-178.725.300112.2Q227 R228 S234 R235Q227-Q231 WeakPolarHBondContact O-CB 3.43Å; Q227-Q231 PolarHBondContact O-N 2.76Å; R228-Q231 PolarHBondContact O-N 2.89Å; Q231-S234 PolarHBondContact O-OG 3.49Å; Q231-S234 VanDerWaalsContact O-OG 3.06Å; Q231-R235 WeakPolarHBondContact O-CB 3.38Å; Q231-R235 PolarHBondContact O-N 2.95Å; Q231-R235 VanDerWaalsContact O-N 3.13Å
232L96.2Very high95.2Very high18 Ų1877.4 Ų77.49%0.09439%0.385CS..Hα-helixtrans-65-41.7173.9-74.1171.2000111.4R228 C229 R235 L236 L326 K329 H330 L333R228-L232 HydrophobicContact CG-CD1 4.45Å; R228-L232 WeakPolarHBondContact O-CB 3.24Å; R228-L232 VanDerWaalsContact O-CG 3.29Å; R228-L232 WeakPolarHBondContact O-CG 3.46Å; R228-L232 PolarHBondContact O-N 3.11Å; C229-L232 PolarHBondContact O-N 3.14Å; L232-R235 PolarHBondContact O-N 3.13Å; L232-L236 WeakPolarHBondContact O-CB 3.06Å; L232-L236 WeakPolarHBondContact O-CD1 3.29Å; L232-L236 VanDerWaalsContact O-CG 3.25Å; L232-L236 WeakPolarHBondContact O-CG 3.47Å; L232-L236 PolarHBondContact O-N 2.88Å; L232-L326 HydrophobicContact CD2-CB 4.29Å; L232-L326 HydrophobicContact CD2-CD2 3.75Å; L232-L326 HydrophobicContact CD2-CG 4.47Å; L232-K329 HydrophobicContact CD1-CB 4.14Å; L232-H330 HydrophobicContact CB-CB 4.17Å; L232-H330 HydrophobicContact CD1-CB 4.35Å; L232-L333 HydrophobicContact CD1-CD1 3.7Å
233Q95.7Very high95.5Very high86 Ų8675.2 Ų75.240%0.40238%0.376SS..Hα-helixtrans-64.3-44.5179.9179.659.219.800112.5C229 Q230 S237 H330C229-Q233 WeakPolarHBondContact O-CB 3.31Å; C229-Q233 PolarHBondContact O-N 2.96Å; Q230-Q233 PolarHBondContact O-N 3.41Å; Q233-S237 PolarHBondContact O-N 3.47Å; Q233-S237 VanDerWaalsContact O-N 3.07Å; Q233-S237 PolarHBondContact O-OG 2.92Å; Q233-H330 PolarHBondContact OE1-CE1 3.47Å; Q233-H330 PolarHBondContact OE1-NE2 2.91Å; Q233-H330 VanDerWaalsContact OE1-NE2 3.13Å
234S95.8Very high96Very high70 Ų7076 Ų7649%0.4937%0.372SS..Hα-helixtrans-64.4-48176.861.30000111.1Q230 Q231 L236 S237 T238Q230-S234 PolarHBondContact O-N 3.4Å; Q230-S234 PolarHBondContact O-OG 3.35Å; Q231-S234 PolarHBondContact O-OG 3.49Å; Q231-S234 VanDerWaalsContact O-OG 3.06Å; S234-L236 PolarHBondContact O-N 2.91Å; S234-S237 WeakPolarHBondContact O-CB 3.41Å; S234-S237 PolarHBondContact O-N 3.09Å; S234-S237 VanDerWaalsContact O-N 3.14Å; S234-T238 PolarHBondContact O-N 2.76Å; S234-T238 PolarHBondContact O-OG1 3.02Å
235R97.2Very high96.2Very high109 Ų10975.6 Ų75.641%0.41137%0.37SS..Hα-helixtrans-61.2-42.8177.9-174173.2-179.8168.12.9112.6Q231 L232 S237 T238 L239 L326Q231-R235 WeakPolarHBondContact O-CB 3.38Å; Q231-R235 PolarHBondContact O-N 2.95Å; Q231-R235 VanDerWaalsContact O-N 3.13Å; L232-R235 PolarHBondContact O-N 3.13Å; R235-S237 VanDerWaalsContact C-N 3.28Å; R235-S237 PolarHBondContact O-N 3.39Å; R235-T238 PolarHBondContact O-N 3.46Å; R235-L239 HydrophobicContact CG-CD1 3.99Å; R235-L239 HydrophobicContact CG-CG 4.46Å; R235-L239 WeakPolarHBondContact O-CG 3.43Å; R235-L239 PolarHBondContact O-N 3.27Å; R235-L326 HydrophobicContact CG-CD1 4.2Å
236L97.6Very high96.4Very high0 Ų074.5 Ų74.50%036%0.364CS..Hα-helixtrans-62.1-36.3175.9-84.1165.8000112.2L232 S234 K240 I323 L326 Q327 H330L232-L236 WeakPolarHBondContact O-CB 3.06Å; L232-L236 WeakPolarHBondContact O-CD1 3.29Å; L232-L236 VanDerWaalsContact O-CG 3.25Å; L232-L236 WeakPolarHBondContact O-CG 3.47Å; L232-L236 PolarHBondContact O-N 2.88Å; S234-L236 PolarHBondContact O-N 2.91Å; L236-K240 VanDerWaalsContact O-CB 3.31Å; L236-K240 WeakPolarHBondContact O-CB 3.47Å; L236-K240 WeakPolarHBondContact O-CG 3.43Å; L236-K240 PolarHBondContact O-N 2.99Å; L236-I323 HydrophobicContact CD2-CG2 4.08Å; L236-L326 HydrophobicContact CD1-CB 4.41Å; L236-L326 HydrophobicContact CD2-CB 3.76Å; L236-L326 HydrophobicContact CG-CB 4.01Å; L236-Q327 HydrophobicContact CD1-CB 4.43Å; L236-Q327 HydrophobicContact CD2-CB 4.15Å; L236-H330 HydrophobicContact CD1-CB 3.7Å
237S96.9Very high96.7Very high50 Ų5074.3 Ų74.335%0.3536%0.359SS..Hα-helixtrans-64.3-46.3179.5-58.20000110.7Q233 S234 R235 I241Q233-S237 PolarHBondContact O-N 3.47Å; Q233-S237 VanDerWaalsContact O-N 3.07Å; Q233-S237 PolarHBondContact O-OG 2.92Å; S234-S237 WeakPolarHBondContact O-CB 3.41Å; S234-S237 PolarHBondContact O-N 3.09Å; S234-S237 VanDerWaalsContact O-N 3.14Å; R235-S237 VanDerWaalsContact C-N 3.28Å; R235-S237 PolarHBondContact O-N 3.39Å; S237-I241 WeakPolarHBondContact O-CG1 2.91Å; S237-I241 PolarHBondContact O-N 2.94Å
238T97.4Very high96.9Very high93 Ų9374.9 Ų74.957%0.57136%0.36SS*.Hα-helixtrans-63.1-51.4176.2-51.30000111.9S234 R235 K240 I241 E242S234-T238 PolarHBondContact O-N 2.76Å; S234-T238 PolarHBondContact O-OG1 3.02Å; R235-T238 PolarHBondContact O-N 3.46Å; T238-K240 VanDerWaalsContact C-N 3.28Å; T238-K240 PolarHBondContact O-N 2.79Å; T238-I241 PolarHBondContact O-N 2.96Å; T238-I241 VanDerWaalsContact O-N 3.12Å; T238-E242 PolarHBondContact O-N 3.42Å; T238-E242 VanDerWaalsContact O-N 3.09Å
239L97.6Very high97Very high27 Ų2770.6 Ų70.614%0.14135%0.35CS..Hα-helixtrans-61.3-35.8-178.2-72.3172.7000112.7R235 N243 L322 I323 L326R235-L239 HydrophobicContact CG-CD1 3.99Å; R235-L239 HydrophobicContact CG-CG 4.46Å; R235-L239 WeakPolarHBondContact O-CG 3.43Å; R235-L239 PolarHBondContact O-N 3.27Å; L239-N243 WeakPolarHBondContact O-CB 3.48Å; L239-N243 PolarHBondContact O-N 3.3Å; L239-L322 HydrophobicContact CD1-CD2 3.67Å; L239-L322 HydrophobicContact CD1-CG 3.95Å; L239-L322 HydrophobicContact CD2-CD2 4.18Å; L239-I323 HydrophobicContact CB-CD1 4.29Å; L239-I323 HydrophobicContact CB-CG1 3.9Å; L239-L326 HydrophobicContact CD1-CD1 3.74Å
240K97.9Very high97.3Very high90 Ų9071 Ų7139%0.39135%0.351SS..Hα-helixtrans-66-38177-79.3175.7-179.1177.80112.4L236 T238 E244 I323 Q327L236-K240 VanDerWaalsContact O-CB 3.31Å; L236-K240 WeakPolarHBondContact O-CB 3.47Å; L236-K240 WeakPolarHBondContact O-CG 3.43Å; L236-K240 PolarHBondContact O-N 2.99Å; T238-K240 VanDerWaalsContact C-N 3.28Å; T238-K240 PolarHBondContact O-N 2.79Å; K240-E244 WeakPolarHBondContact O-CB 3.46Å; K240-E244 WeakPolarHBondContact O-CG 3.45Å; K240-E244 PolarHBondContact O-N 3.15Å; K240-E244 VanDerWaalsContact O-N 3.07Å; K240-I323 HydrophobicContact CG-CD1 4.2Å; K240-I323 HydrophobicContact CG-CG2 4.24Å; K240-Q327 VanDerWaalsContact CE-OE1 3.24Å
241I97.6Very high97.5Very high108 Ų10869.4 Ų69.455%0.55434%0.344SS*.Hα-helixtrans-66.8-52.8177.8-66.4165.5000109.3S237 T238 N243 E244 E245S237-I241 WeakPolarHBondContact O-CG1 2.91Å; S237-I241 PolarHBondContact O-N 2.94Å; T238-I241 PolarHBondContact O-N 2.96Å; T238-I241 VanDerWaalsContact O-N 3.12Å; I241-N243 PolarHBondContact O-N 3.11Å; I241-E244 PolarHBondContact O-N 3.43Å; I241-E245 PolarHBondContact O-N 3.47Å
242E97.3Very high97.6Very high105 Ų10566.9 Ų66.949%0.49134%0.342SS..Hα-helixtrans-55.9-48.6178.2-177.3-178.5-176.200111.6T238 E244 E245 V246T238-E242 PolarHBondContact O-N 3.42Å; T238-E242 VanDerWaalsContact O-N 3.09Å; E242-E244 VanDerWaalsContact C-N 3.31Å; E242-E244 PolarHBondContact O-N 3.49Å; E242-E245 WeakPolarHBondContact O-CB 3.37Å; E242-E245 PolarHBondContact O-N 2.89Å; E242-E245 VanDerWaalsContact O-N 3.12Å; E242-V246 WeakPolarHBondContact O-CG2 3.32Å; E242-V246 PolarHBondContact O-N 3.35Å
243N98.1Very high97.7Very high13 Ų1366.6 Ų66.67%0.0734%0.341CS..Hα-helixtrans-68.9-27.8-178.4-165.874.9000113.3L239 I241 K247 Y316 G319 R320 I323L239-N243 WeakPolarHBondContact O-CB 3.48Å; L239-N243 PolarHBondContact O-N 3.3Å; I241-N243 PolarHBondContact O-N 3.11Å; N243-K247 VanDerWaalsContact O-CB 3.29Å; N243-K247 WeakPolarHBondContact O-CB 3.32Å; N243-K247 PolarHBondContact O-N 2.89Å; N243-Y316 WeakPolarHBondContact ND2-CD2 3.31Å; N243-Y316 VanDerWaalsContact ND2-CE2 3.34Å; N243-Y316 WeakPolarHBondContact ND2-CE2 3.45Å; N243-Y316 PolarHBondContact OD1-O 2.9Å; N243-Y316 VanDerWaalsContact OD1-O 3.07Å; N243-G319 WeakPolarHBondContact OD1-CA 3.28Å; N243-R320 PolarHBondContact OD1-N 3.4Å; N243-I323 HydrophobicContact CB-CD1 3.64Å
244E98.3Very high97.8Very high85 Ų8565.3 Ų65.340%0.39734%0.337SS..Hα-helixtrans-72.7-32.3171.7-81.9-66137.100112.2K240 I241 E242 K247 K248K240-E244 WeakPolarHBondContact O-CB 3.46Å; K240-E244 WeakPolarHBondContact O-CG 3.45Å; K240-E244 PolarHBondContact O-N 3.15Å; K240-E244 VanDerWaalsContact O-N 3.07Å; I241-E244 PolarHBondContact O-N 3.43Å; E242-E244 VanDerWaalsContact C-N 3.31Å; E242-E244 PolarHBondContact O-N 3.49Å; E244-K247 PolarHBondContact O-N 3.19Å; E244-K247 IonicContact OE1-NZ 3.61Å; E244-K247 PolarHBondContact OE1-NZ 2.93Å; E244-K247 IonicContact OE2-NZ 3.29Å; E244-K248 WeakPolarHBondContact O-CG 3.36Å; E244-K248 PolarHBondContact O-N 3.45Å
245E97.9Very high97.9Very high123 Ų12366.5 Ų66.558%0.57533%0.334SS*.Hα-helixtrans-64.8-48.2171.7-68.6176.9175.600111I241 E242 K247 K248 T249I241-E245 PolarHBondContact O-N 3.47Å; E242-E245 WeakPolarHBondContact O-CB 3.37Å; E242-E245 PolarHBondContact O-N 2.89Å; E242-E245 VanDerWaalsContact O-N 3.12Å; E245-K247 VanDerWaalsContact C-N 3.3Å; E245-K247 PolarHBondContact O-N 2.98Å; E245-K248 PolarHBondContact O-N 3.44Å; E245-T249 PolarHBondContact O-N 3.11Å; E245-T249 VanDerWaalsContact O-N 3.08Å; E245-T249 PolarHBondContact O-OG1 3.33Å
246V98.3Very high97.9Very high11 Ų1164.4 Ų64.47%0.06733%0.334CS..Hα-helixtrans-58.7-43.4175.6179.70000111.1E242 K248 T249 M250 K312 E315E242-V246 WeakPolarHBondContact O-CG2 3.32Å; E242-V246 PolarHBondContact O-N 3.35Å; V246-K248 PolarHBondContact O-N 2.95Å; V246-T249 PolarHBondContact O-N 2.84Å; V246-M250 WeakPolarHBondContact O-CB 3.28Å; V246-M250 PolarHBondContact O-N 3.4Å; V246-K312 HydrophobicContact CG1-CD 4.23Å; V246-E315 HydrophobicContact CG1-CB 4.01Å; V246-E315 HydrophobicContact CG1-CG 3.91Å; V246-E315 HydrophobicContact CG2-CG 4.11Å; V246-E315 VanDerWaalsContact CG2-OE1 3.31Å; V246-E315 WeakPolarHBondContact CG2-OE1 3.45Å
247K98.4Very high97.9Very high50 Ų5065.4 Ų65.422%0.21734%0.339CS..Hα-helixtrans-59.5-46.4177.1-178.8-175.7163-161.20112N243 E244 E245 T249 M250 E251 Y316N243-K247 VanDerWaalsContact O-CB 3.29Å; N243-K247 WeakPolarHBondContact O-CB 3.32Å; N243-K247 PolarHBondContact O-N 2.89Å; E244-K247 PolarHBondContact O-N 3.19Å; E244-K247 IonicContact OE1-NZ 3.61Å; E244-K247 PolarHBondContact OE1-NZ 2.93Å; E244-K247 IonicContact OE2-NZ 3.29Å; E245-K247 VanDerWaalsContact C-N 3.3Å; E245-K247 PolarHBondContact O-N 2.98Å; K247-T249 VanDerWaalsContact C-N 3.34Å; K247-T249 PolarHBondContact O-N 3.22Å; K247-M250 HydrophobicContact CG-CE 4.5Å; K247-M250 WeakPolarHBondContact O-CB 3.48Å; K247-M250 PolarHBondContact O-N 3Å; K247-E251 WeakPolarHBondContact CE-OE1 3.46Å; K247-E251 HydrophobicContact CG-CG 4.36Å; K247-E251 WeakPolarHBondContact O-CB 3.36Å; K247-E251 WeakPolarHBondContact O-CG 3.45Å; K247-E251 PolarHBondContact O-N 3.35Å; K247-Y316 HydrophobicContact CB-CD2 3.78Å; K247-Y316 HydrophobicContact CB-CE2 3.78Å; K247-Y316 HydrophobicContact CD-CE2 3.94Å; K247-Y316 HydrophobicContact CG-CD2 4.29Å; K247-Y316 HydrophobicContact CG-CE2 3.91Å
248K98.5Very high97.9Very high138 Ų13867 Ų6760%0.634%0.341SS*.Hα-helixtrans-60.8-43.1177.4-75.3174.2-177.1174.40111.8E244 E245 V246 M250 E251 A252E244-K248 WeakPolarHBondContact O-CG 3.36Å; E244-K248 PolarHBondContact O-N 3.45Å; E245-K248 PolarHBondContact O-N 3.44Å; V246-K248 PolarHBondContact O-N 2.95Å; K248-M250 VanDerWaalsContact C-N 3.34Å; K248-E251 PolarHBondContact O-N 2.98Å; K248-A252 WeakPolarHBondContact O-CB 3.26Å; K248-A252 PolarHBondContact O-N 2.89Å
249T98.3Very high97.9Very high58 Ų5866.9 Ų66.936%0.35634%0.337SS..Hα-helixtrans-62.2-43.3175.6-55.80000111.4E245 V246 K247 T253 F308 K312E245-T249 PolarHBondContact O-N 3.11Å; E245-T249 VanDerWaalsContact O-N 3.08Å; E245-T249 PolarHBondContact O-OG1 3.33Å; V246-T249 PolarHBondContact O-N 2.84Å; K247-T249 VanDerWaalsContact C-N 3.34Å; K247-T249 PolarHBondContact O-N 3.22Å; T249-T253 WeakPolarHBondContact O-CB 3.42Å; T249-T253 PolarHBondContact O-N 3.1Å; T249-T253 PolarHBondContact O-OG1 3.17Å; T249-F308 HydrophobicContact CG2-CE1 3.84Å; T249-F308 HydrophobicContact CG2-CZ 3.92Å; T249-K312 HydrophobicContact CG2-CD 4.12Å; T249-K312 HydrophobicContact CG2-CG 4.24Å
250M98.5Very high97.7Very high16 Ų1667.7 Ų67.78%0.07934%0.341CS..Hα-helixtrans-62.5-47.1177.1-178-167.170.700111.8V246 K247 K248 T253 L254 Y309 K312 M313 Y316V246-M250 WeakPolarHBondContact O-CB 3.28Å; V246-M250 PolarHBondContact O-N 3.4Å; K247-M250 HydrophobicContact CG-CE 4.5Å; K247-M250 WeakPolarHBondContact O-CB 3.48Å; K247-M250 PolarHBondContact O-N 3Å; K248-M250 VanDerWaalsContact C-N 3.34Å; M250-T253 PolarHBondContact O-N 3.38Å; M250-L254 WeakPolarHBondContact O-CB 3.35Å; M250-L254 PolarHBondContact O-N 3.29Å; M250-Y309 HydrophobicContact CG-CD2 3.89Å; M250-Y309 HydrophobicContact CG-CE2 3.65Å; M250-Y309 HydrophobicContact SD-CE2 4.46Å; M250-K312 HydrophobicContact CB-CB 4.06Å; M250-K312 HydrophobicContact CG-CB 4.47Å; M250-M313 HydrophobicContact CE-CE 4.23Å; M250-M313 HydrophobicContact SD-CB 3.95Å; M250-M313 HydrophobicContact SD-CE 3.51Å; M250-M313 VanDerWaalsContact SD-CE 3.51Å; M250-M313 HydrophobicContact SD-CG 4.38Å; M250-M313 HydrophobicContact SD-SD 3.6Å; M250-M313 VanDerWaalsContact SD-SD 3.6Å; M250-Y316 HydrophobicContact CE-CD1 4.08Å; M250-Y316 HydrophobicContact CE-CE1 4.37Å; M250-Y316 HydrophobicContact CE-CG 4.35Å; M250-Y316 HydrophobicContact SD-CD1 4.08Å; M250-Y316 HydrophobicContact SD-CG 4.26Å
251E98.3Very high97.5Very high96 Ų9667.5 Ų67.545%0.44935%0.347SS..Hα-helixtrans-64.5-41.4179.1-73.8174.6172.500112K247 K248 T253 L254 Q255K247-E251 WeakPolarHBondContact CE-OE1 3.46Å; K247-E251 HydrophobicContact CG-CG 4.36Å; K247-E251 WeakPolarHBondContact O-CB 3.36Å; K247-E251 WeakPolarHBondContact O-CG 3.45Å; K247-E251 PolarHBondContact O-N 3.35Å; K248-E251 PolarHBondContact O-N 2.98Å; E251-T253 VanDerWaalsContact C-N 3.34Å; E251-T253 PolarHBondContact O-N 3.4Å; E251-L254 WeakPolarHBondContact O-CB 3.19Å; E251-L254 PolarHBondContact O-N 3.17Å; E251-Q255 PolarHBondContact O-N 3.48Å
252A98.3Very high97.3Very high58 Ų5867 Ų6748%0.47935%0.35SS..Hα-helixtrans-64.9-37.8174.900000112.5K248 Q255 T256K248-A252 WeakPolarHBondContact O-CB 3.26Å; K248-A252 PolarHBondContact O-N 2.89Å; A252-Q255 PolarHBondContact O-N 3.29Å; A252-T256 PolarHBondContact O-N 3.3Å; A252-T256 PolarHBondContact O-OG1 3.45Å
253T97.8Very high97.1Very high13 Ų1364.7 Ų64.78%0.0834%0.342CS..Hα-helixtrans-67.7-40.4175.3-520000110.6T249 M250 E251 Q255 T256 I257 T305 F308T249-T253 WeakPolarHBondContact O-CB 3.42Å; T249-T253 PolarHBondContact O-N 3.1Å; T249-T253 PolarHBondContact O-OG1 3.17Å; M250-T253 PolarHBondContact O-N 3.38Å; E251-T253 VanDerWaalsContact C-N 3.34Å; E251-T253 PolarHBondContact O-N 3.4Å; T253-Q255 VanDerWaalsContact C-N 3.33Å; T253-Q255 PolarHBondContact O-N 2.88Å; T253-T256 WeakPolarHBondContact O-CB 3.28Å; T253-T256 PolarHBondContact O-N 2.95Å; T253-I257 HydrophobicContact CG2-CD1 4.44Å; T253-I257 WeakPolarHBondContact O-CG1 3.28Å; T253-I257 PolarHBondContact O-N 3Å; T253-T305 HydrophobicContact CG2-CG2 3.75Å; T253-F308 HydrophobicContact CG2-CD1 3.88Å
254L98.3Very high96.9Very high58 Ų5871.9 Ų71.930%0.30438%0.375SS..Hα-helixtrans-61.2-42.1174.4-178.760.4000111.8M250 E251 T256 I257 Q258 Y309M250-L254 WeakPolarHBondContact O-CB 3.35Å; M250-L254 PolarHBondContact O-N 3.29Å; E251-L254 WeakPolarHBondContact O-CB 3.19Å; E251-L254 PolarHBondContact O-N 3.17Å; L254-T256 VanDerWaalsContact C-N 3.29Å; L254-T256 PolarHBondContact O-N 3.41Å; L254-I257 PolarHBondContact O-N 3.08Å; L254-Q258 WeakPolarHBondContact O-CG 3.36Å; L254-Q258 PolarHBondContact O-N 2.93Å; L254-Y309 HydrophobicContact CB-CD2 4.09Å; L254-Y309 HydrophobicContact CB-CE2 3.76Å; L254-Y309 HydrophobicContact CD1-CE2 4.05Å; L254-Y309 HydrophobicContact CD2-CE2 4.4Å; L254-Y309 HydrophobicContact CG-CE2 4.28Å
255Q97.9Very high96.4Very high95 Ų9571.7 Ų71.744%0.44438%0.377SS..Hα-helixtrans-59.9-43.2174.6-172.160.655.700111.1E251 A252 T253 I257 Q258 D259E251-Q255 PolarHBondContact O-N 3.48Å; A252-Q255 PolarHBondContact O-N 3.29Å; T253-Q255 VanDerWaalsContact C-N 3.33Å; T253-Q255 PolarHBondContact O-N 2.88Å; Q255-I257 VanDerWaalsContact C-N 3.31Å; Q255-I257 PolarHBondContact O-N 3.24Å; Q255-Q258 WeakPolarHBondContact O-CB 3.33Å; Q255-Q258 PolarHBondContact O-N 2.89Å; Q255-Q258 VanDerWaalsContact O-N 3.14Å; Q255-D259 PolarHBondContact NE2-OD1 3.48Å; Q255-D259 PolarHBondContact O-N 2.92Å
256T97.5Very high96Very high66 Ų6673.2 Ų73.241%0.40538%0.382SS..Hα-helixtrans-60.3-41.6176.1-53.50000111.6A252 T253 L254 D259 I260 T305A252-T256 PolarHBondContact O-N 3.3Å; A252-T256 PolarHBondContact O-OG1 3.45Å; T253-T256 WeakPolarHBondContact O-CB 3.28Å; T253-T256 PolarHBondContact O-N 2.95Å; L254-T256 VanDerWaalsContact C-N 3.29Å; L254-T256 PolarHBondContact O-N 3.41Å; T256-D259 PolarHBondContact O-N 3.08Å; T256-I260 HydrophobicContact CG2-CD1 4.16Å; T256-I260 WeakPolarHBondContact O-CD1 3.4Å; T256-I260 VanDerWaalsContact O-CG1 3.25Å; T256-I260 WeakPolarHBondContact O-CG1 3.42Å; T256-I260 PolarHBondContact O-N 3.46Å; T256-I260 VanDerWaalsContact O-N 3.07Å; T256-T305 HydrophobicContact CG2-CG2 4.27Å
257I97.5Very high95.6Very high21 Ų2178.4 Ų78.411%0.10841%0.409CS..Hα-helixtrans-63.7-43.3175.4-66.3165.4000110.5T253 L254 Q255 I260 V261 T305 E306 Y309T253-I257 HydrophobicContact CG2-CD1 4.44Å; T253-I257 WeakPolarHBondContact O-CG1 3.28Å; T253-I257 PolarHBondContact O-N 3Å; L254-I257 PolarHBondContact O-N 3.08Å; Q255-I257 VanDerWaalsContact C-N 3.31Å; Q255-I257 PolarHBondContact O-N 3.24Å; I257-I260 PolarHBondContact O-N 3.22Å; I257-V261 HydrophobicContact CG2-CG1 4.45Å; I257-V261 WeakPolarHBondContact O-CG1 3.47Å; I257-V261 WeakPolarHBondContact O-CG2 3.37Å; I257-V261 PolarHBondContact O-N 3.27Å; I257-T305 HydrophobicContact CD1-CG2 4.4Å; I257-T305 HydrophobicContact CG1-CG2 3.82Å; I257-E306 HydrophobicContact CD1-CG 3.99Å; I257-E306 HydrophobicContact CG1-CG 4.31Å; I257-Y309 HydrophobicContact CD1-CD1 4.41Å; I257-Y309 HydrophobicContact CD1-CG 3.96Å
258Q97Very high95.3Very high82 Ų8279.9 Ų79.938%0.38342%0.423SS..Hα-helixtrans-57.5-50.6175.7-72174.522.200110.8L254 Q255 I260 V261 T262L254-Q258 WeakPolarHBondContact O-CG 3.36Å; L254-Q258 PolarHBondContact O-N 2.93Å; Q255-Q258 WeakPolarHBondContact O-CB 3.33Å; Q255-Q258 PolarHBondContact O-N 2.89Å; Q255-Q258 VanDerWaalsContact O-N 3.14Å; Q258-I260 PolarHBondContact O-N 3.12Å; Q258-V261 WeakPolarHBondContact O-CG2 3.46Å; Q258-V261 PolarHBondContact O-N 3.15Å; Q258-V261 VanDerWaalsContact O-N 3.08Å; Q258-T262 WeakPolarHBondContact O-CG2 3.22Å; Q258-T262 PolarHBondContact O-N 3.28Å; Q258-T262 PolarHBondContact O-OG1 3.45Å
259D96Very high94.8Very high92 Ų9276.4 Ų76.449%0.49242%0.416SS..Hα-helixtrans-58.2-35.6178.8-59.3-13.8000112.3Q255 T256Q255-D259 PolarHBondContact NE2-OD1 3.48Å; Q255-D259 PolarHBondContact O-N 2.92Å; T256-D259 PolarHBondContact O-N 3.08Å
260I94.2Very high94.1Very high44 Ų4478.5 Ų78.523%0.22643%0.425CS..Hα-helixtrans-68.2-43.6176.5-69.6164.1000111.6T256 I257 Q258 V263 Q302T256-I260 HydrophobicContact CG2-CD1 4.16Å; T256-I260 WeakPolarHBondContact O-CD1 3.4Å; T256-I260 VanDerWaalsContact O-CG1 3.25Å; T256-I260 WeakPolarHBondContact O-CG1 3.42Å; T256-I260 PolarHBondContact O-N 3.46Å; T256-I260 VanDerWaalsContact O-N 3.07Å; I257-I260 PolarHBondContact O-N 3.22Å; Q258-I260 PolarHBondContact O-N 3.12Å; I260-V263 WeakPolarHBondContact O-CG1 3.44Å; I260-Q302 HydrophobicContact CG2-CB 4.27Å; I260-Q302 HydrophobicContact CG2-CG 4.06Å
261V93.8Very high93.5Very high85 Ų8581.4 Ų81.452%0.51545%0.446SS..Hα-helixtrans-88.4-17-172.6-56.90000113.8I257 Q258I257-V261 HydrophobicContact CG2-CG1 4.45Å; I257-V261 WeakPolarHBondContact O-CG1 3.47Å; I257-V261 WeakPolarHBondContact O-CG2 3.37Å; I257-V261 PolarHBondContact O-N 3.27Å; Q258-V261 WeakPolarHBondContact O-CG2 3.46Å; Q258-V261 PolarHBondContact O-N 3.15Å; Q258-V261 VanDerWaalsContact O-N 3.08Å
262T93.8Very high92.9Very high99 Ų9984.1 Ų84.161%0.60746%0.456SS*.THydrogen-bonded Turntrans-98.117.4175.864.70000112.9Q258 E264Q258-T262 WeakPolarHBondContact O-CG2 3.22Å; Q258-T262 PolarHBondContact O-N 3.28Å; Q258-T262 PolarHBondContact O-OG1 3.45Å; T262-E264 PolarHBondContact O-N 3.48Å
263V93.4Very high92.3Very high56 Ų5687.5 Ų87.534%0.33946%0.462SS..  trans-61.7131.5172.364.40000109.9I260 D265I260-V263 WeakPolarHBondContact O-CG1 3.44Å; V263-D265 VanDerWaalsContact C-N 3.32Å; V263-D265 PolarHBondContact O-N 3.11Å
264E92.3Very high91.4Very high163 Ų16395.5 Ų95.576%0.76249%0.492SS*.  trans-83.571.8-179.5-62.2-176.9148.300110.9T262 F266T262-E264 PolarHBondContact O-N 3.48Å; E264-F266 HydrophobicContact CB-CE1 3.85Å; E264-F266 HydrophobicContact CB-CZ 4.22Å; E264-F266 HydrophobicContact CG-CE1 4Å; E264-F266 HydrophobicContact CG-CZ 4.33Å
265D88.9Confident89.9Confident82 Ų8297.8 Ų97.844%0.43951%0.513SS..  trans-105.422.8-178.867.1-8000114.4V263V263-D265 VanDerWaalsContact C-N 3.32Å; V263-D265 PolarHBondContact O-N 3.11Å
266F89.2Confident87.8Confident155 Ų155101.4 Ų101.468%0.6854%0.536SS*.  trans-93.5-10.9179.654.8-99.4000114.7E264 V268E264-F266 HydrophobicContact CB-CE1 3.85Å; E264-F266 HydrophobicContact CB-CZ 4.22Å; E264-F266 HydrophobicContact CG-CE1 4Å; E264-F266 HydrophobicContact CG-CZ 4.33Å; F266-V268 PolarHBondContact O-N 2.8Å
267D90.8Very high85.4Confident119 Ų119102.7 Ų102.764%0.63655%0.547SS*.  trans-72.5119.7175-171-14.2000110.7S269D267-S269 WeakPolarHBondContact OD1-CB 3.45Å; D267-S269 PolarHBondContact OD1-N 2.67Å; D267-S269 PolarHBondContact OD1-OG 2.87Å
268V90.4Very high83.1Confident81 Ų81110.4 Ų110.449%0.49159%0.585SS.*  trans-118.518.9-178.3-64.30000112.6F266 D270 C271 F272F266-V268 PolarHBondContact O-N 2.8Å; V268-D270 PolarHBondContact O-N 3.33Å; V268-D270 VanDerWaalsContact O-N 3.17Å; V268-C271 VanDerWaalsContact O-CB 3.24Å; V268-C271 WeakPolarHBondContact O-CB 3.25Å; V268-C271 PolarHBondContact O-N 3.11Å; V268-F272 HydrophobicContact CG2-CE2 4.11Å; V268-F272 WeakPolarHBondContact O-CD2 3.32Å
269S88.6Confident80.5Confident66 Ų66114.6 Ų114.646%0.46261%0.605SS.*G310 helixtrans-54.2-37.3-178-620000112.8D267 C271 F272D267-S269 WeakPolarHBondContact OD1-CB 3.45Å; D267-S269 PolarHBondContact OD1-N 2.67Å; D267-S269 PolarHBondContact OD1-OG 2.87Å; S269-C271 PolarHBondContact O-N 2.83Å; S269-F272 PolarHBondContact O-N 2.88Å
270D84.3Confident78.5Confident101 Ų101115.9 Ų115.954%0.5462%0.621SS.*G310 helixtrans-60.5-28.2176.4-75.4-5.9000113.1V268 F272 Q273V268-D270 PolarHBondContact O-N 3.33Å; V268-D270 VanDerWaalsContact O-N 3.17Å; D270-F272 PolarHBondContact O-N 2.76Å; D270-Q273 PolarHBondContact O-N 2.95Å; D270-Q273 PolarHBondContact OD1-NE2 3.14Å
271C86.1Confident76.2Confident78 Ų78120.1 Ų120.153%0.52765%0.648SS.*G310 helixtrans-67.1-20.3176.7-61.40000113V268 S269 Y274V268-C271 VanDerWaalsContact O-CB 3.24Å; V268-C271 WeakPolarHBondContact O-CB 3.25Å; V268-C271 PolarHBondContact O-N 3.11Å; S269-C271 PolarHBondContact O-N 2.83Å; C271-Y274 VanDerWaalsContact O-CZ 3.31Å; C271-Y274 PolarHBondContact O-OH 2.8Å
272F85.7Confident74Confident152 Ų152123.3 Ų123.367%0.66766%0.655SS**G310 helixtrans-101.2-0.6-179.1-63.8-91.1000112.9V268 S269 D270 Y274V268-F272 HydrophobicContact CG2-CE2 4.11Å; V268-F272 WeakPolarHBondContact O-CD2 3.32Å; S269-F272 PolarHBondContact O-N 2.88Å; D270-F272 PolarHBondContact O-N 2.76Å; F272-Y274 VanDerWaalsContact C-N 3.33Å; F272-Y274 PolarHBondContact O-N 2.9Å
273Q85.8Confident71.7Confident129 Ų129121.6 Ų121.660%0.60365%0.648SS**  trans-83.274.4175-67.9173.137.500110.9D270 S275D270-Q273 PolarHBondContact O-N 2.95Å; D270-Q273 PolarHBondContact OD1-NE2 3.14Å; Q273-S275 PolarHBondContact O-N 2.95Å
274Y79.1Confident69.5Low182 Ų182124.1 Ų124.171%0.71466%0.663SS**  trans-81.891.7167.6-53.6-71.1000109.1C271 F272 N276C271-Y274 VanDerWaalsContact O-CZ 3.31Å; C271-Y274 PolarHBondContact O-OH 2.8Å; F272-Y274 VanDerWaalsContact C-N 3.33Å; F272-Y274 PolarHBondContact O-N 2.9Å; Y274-N276 PolarHBondContact O-N 3.02Å; Y274-N276 VanDerWaalsContact O-N 3.16Å
275S65.6Low67.3Low106 Ų106122 Ų12274%0.74166%0.661SS**  trans-62.7116.9164.6-75.70000108.3Q273 S277Q273-S275 PolarHBondContact O-N 2.95Å; S275-S277 PolarHBondContact O-N 2.75Å
276N53.4Low65.4Low171 Ų171120.8 Ų120.891%0.91466%0.659SS**  trans-66.121.9171.7-83.7-28.9000113.4Y274Y274-N276 PolarHBondContact O-N 3.02Å; Y274-N276 VanDerWaalsContact O-N 3.16Å
277S47Very low63.4Low92 Ų92118.3 Ų118.364%0.64365%0.649SS**  trans-97106.8171.8-147.70000107.4S275 E279S275-S277 PolarHBondContact O-N 2.75Å; S277-E279 PolarHBondContact O-N 3.42Å
278M49.8Very low61.5Low183 Ų183117.3 Ų117.390%0.90165%0.648SS**  trans-5787.5157.3-81.7170.650.900108
279E43.6Very low59.6Low171 Ų171118 Ų11880%0.79965%0.645SS**SBendtrans174.4108.9149.9-103.2170.8167.200109.9S277 V281S277-E279 PolarHBondContact O-N 3.42Å; E279-V281 PolarHBondContact O-N 2.81Å
280S52.3Low58.1Low118 Ų118120.2 Ų120.283%0.82565%0.649SS**  trans35.179.2133.6177.90000117.3
281V46.3Very low57.1Low134 Ų134117.3 Ų117.381%0.81264%0.637SS**  trans-137.687132.9-160.90000107.3E279 S283E279-V281 PolarHBondContact O-N 2.81Å; V281-S283 PolarHBondContact O-N 3.09Å; V281-S283 VanDerWaalsContact O-N 3.08Å
282K48Very low56Low151 Ų151122.4 Ų122.466%0.65765%0.65SS**  trans-57.2114.3157.4-84.8-177.3164.2-150.50106.2T284 E287K282-T284 PolarHBondContact O-N 3.49Å; K282-E287 WeakPolarHBondContact CD-OE1 3.32Å; K282-E287 WeakPolarHBondContact CE-OE1 3.4Å; K282-E287 IonicContact NZ-OE1 2.68Å; K282-E287 PolarHBondContact NZ-OE1 3.44Å
283S45.6Very low54.8Low64 Ų64120 Ų12045%0.44865%0.649SS.*  trans-57.8105172.1-178.90000108.5V281 V285 S286V281-S283 PolarHBondContact O-N 3.09Å; V281-S283 VanDerWaalsContact O-N 3.08Å; S283-V285 PolarHBondContact O-N 3.14Å; S283-V285 VanDerWaalsContact O-N 3.1Å; S283-S286 PolarHBondContact O-N 2.73Å
284T46.1Very low54.4Low109 Ų109115.3 Ų115.367%0.66963%0.631SS**Hα-helixtrans-65.7-10-177.3-11.10000112.7K282 T288K282-T284 PolarHBondContact O-N 3.49Å; T284-T288 PolarHBondContact O-OG1 3.3Å
285V47.3Very low54.6Low119 Ų119111.1 Ų111.172%0.72162%0.62SS**Hα-helixtrans-82.5-39.8-176.9-173.30000111S283S283-V285 PolarHBondContact O-N 3.14Å; S283-V285 VanDerWaalsContact O-N 3.1Å
286S48.7Very low55.7Low55 Ų55108.9 Ų108.939%0.38561%0.607SS.*Hα-helixtrans-80-29.5-176-37.10000113.2S283 T288S283-S286 PolarHBondContact O-N 2.73Å; S286-T288 VanDerWaalsContact C-N 3.32Å; S286-T288 PolarHBondContact O-N 3.31Å
287E46.8Very low57.5Low103 Ų103108.6 Ų108.648%0.48160%0.598SS.*Hα-helixtrans-70.3-25.2178-82.4-171.8162.100113.1K282 S291K282-E287 WeakPolarHBondContact CD-OE1 3.32Å; K282-E287 WeakPolarHBondContact CE-OE1 3.4Å; K282-E287 IonicContact NZ-OE1 2.68Å; K282-E287 PolarHBondContact NZ-OE1 3.44Å; E287-S291 WeakPolarHBondContact O-CB 3.33Å; E287-S291 PolarHBondContact O-N 2.84Å
288T51.2Low59.4Low99 Ų99108.6 Ų108.661%0.60758%0.584SS**Hα-helixtrans-81.5-36.7-175.5-44.20000112.5T284 S286 S294T284-T288 PolarHBondContact O-OG1 3.3Å; S286-T288 VanDerWaalsContact C-N 3.32Å; S286-T288 PolarHBondContact O-N 3.31Å; T288-S294 PolarHBondContact O-OG 3.48Å
289F51.3Low61.5Low96 Ų96107.8 Ų107.842%0.42157%0.571SS.*Hα-helixtrans-75.8-38-179.9-168-107.1000112.2S294F289-S294 PolarHBondContact O-OG 3.47Å
290M56.2Low63.9Low111 Ų111101.6 Ų101.655%0.54755%0.549SS..SBendtrans-96.412-176.5-61.8-61-169.100114
291S62.6Low65.9Low41 Ų41100 Ų10029%0.28753%0.531SS..  trans-64.4140.2175.379.80000111E287 P293 S294 I295E287-S291 WeakPolarHBondContact O-CB 3.33Å; E287-S291 PolarHBondContact O-N 2.84Å; S291-P293 VanDerWaalsContact C-CD 3.41Å; S291-P293 VanDerWaalsContact C-N 3.25Å; S291-P293 VanDerWaalsContact O-N 3.17Å; S291-S294 PolarHBondContact N-OG 2.99Å; S291-S294 PolarHBondContact O-N 3.27Å; S291-S294 PolarHBondContact O-OG 3.24Å; S291-S294 VanDerWaalsContact OG-CB 3.27Å; S291-S294 WeakPolarHBondContact OG-CB 3.48Å; S291-S294 PolarHBondContact OG-N 3.03Å; S291-S294 PolarHBondContact OG-OG 3.45Å; S291-I295 PolarHBondContact O-N 2.93Å
292K63.6Low68.3Low185 Ų18596 Ų9680%0.80450%0.504SS*.Hα-helixtrans-52.9-35.3177.5-70.8-175.8177.9-178.60114I295 A296K292-I295 VanDerWaalsContact O-CG2 3.29Å; K292-I295 WeakPolarHBondContact O-CG2 3.49Å; K292-A296 PolarHBondContact O-N 2.99Å
293P60.5Low70.6Confident101 Ų10193.7 Ų93.766%0.65650%0.495SS*.Hα-helixtrans-71.6-35.6173.4-21.735.3000114.2S291 K297S291-P293 VanDerWaalsContact C-CD 3.41Å; S291-P293 VanDerWaalsContact C-N 3.25Å; S291-P293 VanDerWaalsContact O-N 3.17Å; P293-K297 PolarHBondContact O-N 2.96Å
294S78.1Confident73.1Confident30 Ų3096.4 Ų96.421%0.2150%0.501CS..Hα-helixtrans-72-38.7179.159.70000112.5T288 F289 S291 K297 R298T288-S294 PolarHBondContact O-OG 3.48Å; F289-S294 PolarHBondContact O-OG 3.47Å; S291-S294 PolarHBondContact N-OG 2.99Å; S291-S294 PolarHBondContact O-N 3.27Å; S291-S294 PolarHBondContact O-OG 3.24Å; S291-S294 VanDerWaalsContact OG-CB 3.27Å; S291-S294 WeakPolarHBondContact OG-CB 3.48Å; S291-S294 PolarHBondContact OG-N 3.03Å; S291-S294 PolarHBondContact OG-OG 3.45Å; S294-K297 PolarHBondContact O-N 3.44Å; S294-R298 PolarHBondContact O-N 2.96Å
295I83.6Confident75.5Confident94 Ų9492.3 Ų92.348%0.48248%0.476SS..Hα-helixtrans-66.8-40.3177.8-163167.9000112S291 K292 K297 R298 R299S291-I295 PolarHBondContact O-N 2.93Å; K292-I295 VanDerWaalsContact O-CG2 3.29Å; K292-I295 WeakPolarHBondContact O-CG2 3.49Å; I295-K297 VanDerWaalsContact C-N 3.33Å; I295-K297 PolarHBondContact O-N 3.42Å; I295-R298 PolarHBondContact O-N 3.31Å; I295-R299 WeakPolarHBondContact O-CB 3.43Å; I295-R299 PolarHBondContact O-N 3.29Å
296A87.4Confident77.9Confident59 Ų5989.6 Ų89.649%0.48846%0.455SS..Hα-helixtrans-63.5-41.2176.500000111.4K292 R299 A300K292-A296 PolarHBondContact O-N 2.99Å; A296-R299 PolarHBondContact O-N 2.92Å; A296-A300 WeakPolarHBondContact O-CB 3.37Å; A296-A300 PolarHBondContact O-N 3.07Å
297K90.8Very high80.3Confident165 Ų16593.4 Ų93.472%0.71747%0.467SS*.Hα-helixtrans-64.8-44176.7-171.1177.5-179-179.10112.4P293 S294 I295 R299 A300 N301P293-K297 PolarHBondContact O-N 2.96Å; S294-K297 PolarHBondContact O-N 3.44Å; I295-K297 VanDerWaalsContact C-N 3.33Å; I295-K297 PolarHBondContact O-N 3.42Å; K297-R299 VanDerWaalsContact C-N 3.34Å; K297-A300 PolarHBondContact O-N 3.31Å; K297-N301 WeakPolarHBondContact O-CB 3.35Å; K297-N301 PolarHBondContact O-N 3.5Å
298R88.6Confident82.8Confident92 Ų9292.9 Ų92.935%0.34746%0.463SS..Hα-helixtrans-60.1-45175-75.5-179.766.2-155.5-2.7111.3S294 I295 N301 Q302S294-R298 PolarHBondContact O-N 2.96Å; I295-R298 PolarHBondContact O-N 3.31Å; R298-N301 PolarHBondContact O-N 2.83Å; R298-Q302 PolarHBondContact O-N 3.08Å
299R92.6Very high85Confident166 Ų16689.9 Ų89.963%0.62644%0.441SS*.Hα-helixtrans-63.6-42.6178.2-171.4177.5-176.3-178.92.4112.7I295 A296 K297 N301 Q302 Q303I295-R299 WeakPolarHBondContact O-CB 3.43Å; I295-R299 PolarHBondContact O-N 3.29Å; A296-R299 PolarHBondContact O-N 2.92Å; K297-R299 VanDerWaalsContact C-N 3.34Å; R299-N301 VanDerWaalsContact C-N 3.35Å; R299-Q302 PolarHBondContact O-N 3.45Å; R299-Q303 WeakPolarHBondContact O-CG 3.38Å; R299-Q303 PolarHBondContact O-N 3.38Å
300A94Very high87.2Confident41 Ų4191 Ų9134%0.33945%0.446SS..Hα-helixtrans-61.2-44.9175.900000111.2A296 K297 Q302 Q303 E304A296-A300 WeakPolarHBondContact O-CB 3.37Å; A296-A300 PolarHBondContact O-N 3.07Å; K297-A300 PolarHBondContact O-N 3.31Å; A300-Q302 PolarHBondContact O-N 2.92Å; A300-Q303 PolarHBondContact O-N 3.25Å; A300-E304 WeakPolarHBondContact O-CG 2.95Å; A300-E304 PolarHBondContact O-N 3.41Å
301N95.2Very high89.3Confident85 Ų8589.4 Ų89.446%0.45544%0.442SS..Hα-helixtrans-63.5-39.5177.1-178.8-106.7000112.9K297 R298 R299 E304 T305K297-N301 WeakPolarHBondContact O-CB 3.35Å; K297-N301 PolarHBondContact O-N 3.5Å; R298-N301 PolarHBondContact O-N 2.83Å; R299-N301 VanDerWaalsContact C-N 3.35Å; N301-E304 PolarHBondContact O-N 2.74Å; N301-T305 WeakPolarHBondContact O-CB 3.33Å; N301-T305 PolarHBondContact O-N 3.47Å; N301-T305 PolarHBondContact O-OG1 3.46Å
302Q95.6Very high91Very high50 Ų5089.4 Ų89.423%0.23444%0.437CS..Hα-helixtrans-59.4-47.8172.5-179.1-174.9-300111.1I260 R298 R299 A300 E304 T305 E306I260-Q302 HydrophobicContact CG2-CB 4.27Å; I260-Q302 HydrophobicContact CG2-CG 4.06Å; R298-Q302 PolarHBondContact O-N 3.08Å; R299-Q302 PolarHBondContact O-N 3.45Å; A300-Q302 PolarHBondContact O-N 2.92Å; Q302-E304 PolarHBondContact O-N 2.9Å; Q302-T305 WeakPolarHBondContact O-CB 3.39Å; Q302-T305 PolarHBondContact O-N 2.88Å; Q302-T305 VanDerWaalsContact O-N 3.17Å; Q302-E306 HydrophobicContact CG-CG 4.47Å; Q302-E306 WeakPolarHBondContact CG-OE1 3.41Å; Q302-E306 PolarHBondContact NE2-OE1 3.17Å; Q302-E306 WeakPolarHBondContact O-CG 3.34Å; Q302-E306 PolarHBondContact O-N 2.87Å
303Q96.9Very high92.6Very high102 Ų10282.8 Ų82.848%0.47741%0.41SS..Hα-helixtrans-62.3-42.4-180-73.4177.8-7.800112.6R299 A300 T305 E306 Q307R299-Q303 WeakPolarHBondContact O-CG 3.38Å; R299-Q303 PolarHBondContact O-N 3.38Å; A300-Q303 PolarHBondContact O-N 3.25Å; Q303-T305 VanDerWaalsContact C-N 3.3Å; Q303-T305 PolarHBondContact O-N 3.01Å; Q303-E306 PolarHBondContact O-N 3.18Å; Q303-Q307 WeakPolarHBondContact O-CB 3.34Å; Q303-Q307 PolarHBondContact O-N 3.07Å
304E97.6Very high94.4Very high121 Ų12184.7 Ų84.757%0.56541%0.408SS*.Hα-helixtrans-61.3-41174.5-72.7171.4179.200111.4A300 N301 Q302 Q307 F308A300-E304 WeakPolarHBondContact O-CG 2.95Å; A300-E304 PolarHBondContact O-N 3.41Å; N301-E304 PolarHBondContact O-N 2.74Å; Q302-E304 PolarHBondContact O-N 2.9Å; E304-Q307 PolarHBondContact O-N 3.2Å; E304-F308 WeakPolarHBondContact O-CB 3.27Å; E304-F308 PolarHBondContact O-N 3.04Å
305T97.4Very high95.4Very high24 Ų2486.7 Ų86.715%0.14741%0.414CS..Hα-helixtrans-66.9-43.4178.4-53.10000111.5T253 T256 I257 N301 Q302 Q303 F308 Y309T253-T305 HydrophobicContact CG2-CG2 3.75Å; T256-T305 HydrophobicContact CG2-CG2 4.27Å; I257-T305 HydrophobicContact CD1-CG2 4.4Å; I257-T305 HydrophobicContact CG1-CG2 3.82Å; N301-T305 WeakPolarHBondContact O-CB 3.33Å; N301-T305 PolarHBondContact O-N 3.47Å; N301-T305 PolarHBondContact O-OG1 3.46Å; Q302-T305 WeakPolarHBondContact O-CB 3.39Å; Q302-T305 PolarHBondContact O-N 2.88Å; Q302-T305 VanDerWaalsContact O-N 3.17Å; Q303-T305 VanDerWaalsContact C-N 3.3Å; Q303-T305 PolarHBondContact O-N 3.01Å; T305-F308 PolarHBondContact O-N 2.74Å; T305-Y309 PolarHBondContact O-N 2.93Å
306E98Very high96.1Very high62 Ų6283.5 Ų83.529%0.2940%0.396SS..Hα-helixtrans-62.3-43.3174-73.5172.2-176.200111.4I257 Q302 Q303 F308 Y309 F310I257-E306 HydrophobicContact CD1-CG 3.99Å; I257-E306 HydrophobicContact CG1-CG 4.31Å; Q302-E306 HydrophobicContact CG-CG 4.47Å; Q302-E306 WeakPolarHBondContact CG-OE1 3.41Å; Q302-E306 PolarHBondContact NE2-OE1 3.17Å; Q302-E306 WeakPolarHBondContact O-CG 3.34Å; Q302-E306 PolarHBondContact O-N 2.87Å; Q303-E306 PolarHBondContact O-N 3.18Å; E306-F308 VanDerWaalsContact C-N 3.33Å; E306-F308 PolarHBondContact O-N 3.45Å; E306-Y309 WeakPolarHBondContact O-CB 3.45Å; E306-Y309 PolarHBondContact O-N 3.47Å; E306-F310 WeakPolarHBondContact O-CD2 3.3Å; E306-F310 PolarHBondContact O-N 3.03Å
307Q98.2Very high96.6Very high135 Ų13584.3 Ų84.363%0.63139%0.392SS*.Hα-helixtrans-62.2-41.3176.9-173172.717.300111.8Q303 E304 F310 T311Q303-Q307 WeakPolarHBondContact O-CB 3.34Å; Q303-Q307 PolarHBondContact O-N 3.07Å; E304-Q307 PolarHBondContact O-N 3.2Å; Q307-F310 PolarHBondContact O-N 3.46Å; Q307-T311 PolarHBondContact O-N 3.07Å; Q307-T311 PolarHBondContact O-OG1 3.22Å
308F98.5Very high96.9Very high91 Ų9183.2 Ų83.240%0.39939%0.389SS..Hα-helixtrans-63.9-42.6173.6-176.4-109.6000111.9T249 T253 E304 T305 E306 F310 T311 K312T249-F308 HydrophobicContact CG2-CE1 3.84Å; T249-F308 HydrophobicContact CG2-CZ 3.92Å; T253-F308 HydrophobicContact CG2-CD1 3.88Å; E304-F308 WeakPolarHBondContact O-CB 3.27Å; E304-F308 PolarHBondContact O-N 3.04Å; T305-F308 PolarHBondContact O-N 2.74Å; E306-F308 VanDerWaalsContact C-N 3.33Å; E306-F308 PolarHBondContact O-N 3.45Å; F308-F310 PolarHBondContact O-N 3.38Å; F308-T311 WeakPolarHBondContact O-CB 3.48Å; F308-T311 PolarHBondContact O-N 3.37Å; F308-K312 HydrophobicContact CD1-CG 4.49Å; F308-K312 HydrophobicContact CE1-CG 4.05Å; F308-K312 HydrophobicContact CE2-CG 4.18Å; F308-K312 HydrophobicContact CZ-CD 4.27Å; F308-K312 HydrophobicContact CZ-CG 3.89Å; F308-K312 PolarHBondContact O-N 3.27Å
309Y98.7Very high97.4Very high37 Ų3779.7 Ų79.715%0.14538%0.382CS..Hα-helixtrans-57.1-48.6174.1169.4-100.8000112M250 L254 I257 T305 E306 T311 K312 M313M250-Y309 HydrophobicContact CG-CD2 3.89Å; M250-Y309 HydrophobicContact CG-CE2 3.65Å; M250-Y309 HydrophobicContact SD-CE2 4.46Å; L254-Y309 HydrophobicContact CB-CD2 4.09Å; L254-Y309 HydrophobicContact CB-CE2 3.76Å; L254-Y309 HydrophobicContact CD1-CE2 4.05Å; L254-Y309 HydrophobicContact CD2-CE2 4.4Å; L254-Y309 HydrophobicContact CG-CE2 4.28Å; I257-Y309 HydrophobicContact CD1-CD1 4.41Å; I257-Y309 HydrophobicContact CD1-CG 3.96Å; T305-Y309 PolarHBondContact O-N 2.93Å; E306-Y309 WeakPolarHBondContact O-CB 3.45Å; E306-Y309 PolarHBondContact O-N 3.47Å; Y309-T311 VanDerWaalsContact C-N 3.29Å; Y309-T311 PolarHBondContact O-N 2.86Å; Y309-K312 PolarHBondContact O-N 3.44Å; Y309-M313 HydrophobicContact CE1-CE 4.41Å; Y309-M313 HydrophobicContact CE2-CE 4.28Å; Y309-M313 WeakPolarHBondContact O-CB 3.33Å; Y309-M313 PolarHBondContact O-N 3.12Å; Y309-M313 WeakPolarHBondContact OH-CE 3.44Å
310F98.3Very high97.6Very high120 Ų12077.9 Ų77.953%0.52638%0.375SS..Hα-helixtrans-64.5-34178.1-77.2-66.3000112.7E306 Q307 F308 K314E306-F310 WeakPolarHBondContact O-CD2 3.3Å; E306-F310 PolarHBondContact O-N 3.03Å; Q307-F310 PolarHBondContact O-N 3.46Å; F308-F310 PolarHBondContact O-N 3.38Å; F310-K314 WeakPolarHBondContact O-CG 3.32Å; F310-K314 PolarHBondContact O-N 3.31Å
311T98.4Very high97.8Very high76 Ų7680.3 Ų80.347%0.46638%0.382SS..Hα-helixtrans-62.1-47.8173.9-570000110.5Q307 F308 Y309 K314 E315Q307-T311 PolarHBondContact O-N 3.07Å; Q307-T311 PolarHBondContact O-OG1 3.22Å; F308-T311 WeakPolarHBondContact O-CB 3.48Å; F308-T311 PolarHBondContact O-N 3.37Å; Y309-T311 VanDerWaalsContact C-N 3.29Å; Y309-T311 PolarHBondContact O-N 2.86Å; T311-K314 PolarHBondContact O-N 3.09Å; T311-E315 PolarHBondContact O-N 3.05Å
312K98.3Very high97.9Very high41 Ų4179 Ų7918%0.17838%0.375CS..Hα-helixtrans-70.4-33.9178.8-68.3-71.7158-162.10113.5V246 T249 M250 F308 Y309 E315 Y316V246-K312 HydrophobicContact CG1-CD 4.23Å; T249-K312 HydrophobicContact CG2-CD 4.12Å; T249-K312 HydrophobicContact CG2-CG 4.24Å; M250-K312 HydrophobicContact CB-CB 4.06Å; M250-K312 HydrophobicContact CG-CB 4.47Å; F308-K312 HydrophobicContact CD1-CG 4.49Å; F308-K312 HydrophobicContact CE1-CG 4.05Å; F308-K312 HydrophobicContact CE2-CG 4.18Å; F308-K312 HydrophobicContact CZ-CD 4.27Å; F308-K312 HydrophobicContact CZ-CG 3.89Å; F308-K312 PolarHBondContact O-N 3.27Å; Y309-K312 PolarHBondContact O-N 3.44Å; K312-E315 WeakPolarHBondContact CD-OE2 3.38Å; K312-E315 WeakPolarHBondContact CE-OE2 3.42Å; K312-E315 IonicContact NZ-OE1 2.78Å; K312-E315 IonicContact NZ-OE2 3.91Å; K312-E315 PolarHBondContact NZ-OE2 2.95Å; K312-E315 PolarHBondContact O-N 3.44Å; K312-Y316 VanDerWaalsContact O-CB 3.3Å; K312-Y316 WeakPolarHBondContact O-CB 3.19Å; K312-Y316 PolarHBondContact O-N 2.89Å
313M98.4Very high98.1Very high47 Ų4777.6 Ų77.623%0.23237%0.369CS..Hα-helixtrans-62.6-43.4173.2176.263.878.100111.5M250 Y309 Y316 L317M250-M313 HydrophobicContact CE-CE 4.23Å; M250-M313 HydrophobicContact SD-CB 3.95Å; M250-M313 HydrophobicContact SD-CE 3.51Å; M250-M313 VanDerWaalsContact SD-CE 3.51Å; M250-M313 HydrophobicContact SD-CG 4.38Å; M250-M313 HydrophobicContact SD-SD 3.6Å; M250-M313 VanDerWaalsContact SD-SD 3.6Å; Y309-M313 HydrophobicContact CE1-CE 4.41Å; Y309-M313 HydrophobicContact CE2-CE 4.28Å; Y309-M313 WeakPolarHBondContact O-CB 3.33Å; Y309-M313 PolarHBondContact O-N 3.12Å; Y309-M313 WeakPolarHBondContact OH-CE 3.44Å; M313-Y316 PolarHBondContact O-N 3.22Å; M313-Y316 HydrophobicContact SD-CD1 4.32Å; M313-L317 HydrophobicContact CG-CD1 4Å; M313-L317 HydrophobicContact CG-CG 4.44Å; M313-L317 WeakPolarHBondContact O-CB 3.38Å; M313-L317 VanDerWaalsContact O-CG 3.24Å; M313-L317 WeakPolarHBondContact O-CG 3.49Å; M313-L317 PolarHBondContact O-N 3.39Å; M313-L317 HydrophobicContact SD-CD1 3.96Å; M313-L317 HydrophobicContact SD-CD2 4.45Å; M313-L317 HydrophobicContact SD-CG 3.98Å
314K98.3Very high98.1Very high140 Ų14076.9 Ų76.961%0.60937%0.371SS*.Hα-helixtrans-61.1-49.7176-73.6174.2-178.5-178.50111.4F310 T311 Y316 L317 E318F310-K314 WeakPolarHBondContact O-CG 3.32Å; F310-K314 PolarHBondContact O-N 3.31Å; T311-K314 PolarHBondContact O-N 3.09Å; K314-Y316 VanDerWaalsContact C-N 3.35Å; K314-Y316 PolarHBondContact O-N 3.14Å; K314-L317 PolarHBondContact O-N 3.21Å; K314-E318 WeakPolarHBondContact O-CG 3.34Å; K314-E318 PolarHBondContact O-N 3.45Å
315E98.1Very high98.1Very high73 Ų7377.7 Ų77.734%0.34137%0.373SS..Hα-helixtrans-57-46.2176.9-172-178.3167.300111.7V246 T311 K312 L317 E318 G319V246-E315 HydrophobicContact CG1-CB 4.01Å; V246-E315 HydrophobicContact CG1-CG 3.91Å; V246-E315 HydrophobicContact CG2-CG 4.11Å; V246-E315 VanDerWaalsContact CG2-OE1 3.31Å; V246-E315 WeakPolarHBondContact CG2-OE1 3.45Å; T311-E315 PolarHBondContact O-N 3.05Å; K312-E315 WeakPolarHBondContact CD-OE2 3.38Å; K312-E315 WeakPolarHBondContact CE-OE2 3.42Å; K312-E315 IonicContact NZ-OE1 2.78Å; K312-E315 IonicContact NZ-OE2 3.91Å; K312-E315 PolarHBondContact NZ-OE2 2.95Å; K312-E315 PolarHBondContact O-N 3.44Å; E315-L317 PolarHBondContact O-N 2.97Å; E315-E318 PolarHBondContact O-N 2.97Å; E315-G319 PolarHBondContact O-N 3.47Å
316Y98.5Very high98.1Very high27 Ų2777.4 Ų77.411%0.10637%0.371CS..Hα-helixtrans-61.4-43.5175.8169.1-105.5000112.9N243 K247 M250 K312 M313 K314 R320N243-Y316 WeakPolarHBondContact ND2-CD2 3.31Å; N243-Y316 VanDerWaalsContact ND2-CE2 3.34Å; N243-Y316 WeakPolarHBondContact ND2-CE2 3.45Å; N243-Y316 PolarHBondContact OD1-O 2.9Å; N243-Y316 VanDerWaalsContact OD1-O 3.07Å; K247-Y316 HydrophobicContact CB-CD2 3.78Å; K247-Y316 HydrophobicContact CB-CE2 3.78Å; K247-Y316 HydrophobicContact CD-CE2 3.94Å; K247-Y316 HydrophobicContact CG-CD2 4.29Å; K247-Y316 HydrophobicContact CG-CE2 3.91Å; M250-Y316 HydrophobicContact CE-CD1 4.08Å; M250-Y316 HydrophobicContact CE-CE1 4.37Å; M250-Y316 HydrophobicContact CE-CG 4.35Å; M250-Y316 HydrophobicContact SD-CD1 4.08Å; M250-Y316 HydrophobicContact SD-CG 4.26Å; K312-Y316 VanDerWaalsContact O-CB 3.3Å; K312-Y316 WeakPolarHBondContact O-CB 3.19Å; K312-Y316 PolarHBondContact O-N 2.89Å; M313-Y316 PolarHBondContact O-N 3.22Å; M313-Y316 HydrophobicContact SD-CD1 4.32Å; K314-Y316 VanDerWaalsContact C-N 3.35Å; K314-Y316 PolarHBondContact O-N 3.14Å; Y316-R320 WeakPolarHBondContact O-CB 3.45Å; Y316-R320 PolarHBondContact O-N 3.16Å; Y316-R320 PolarHBondContact OH-NH1 2.93Å
317L98Very high98.1Very high76 Ų7676.3 Ų76.340%0.39837%0.365SS..Hα-helixtrans-68.2-38.7-179.9-72.5173.7000111.6M313 K314 E315 N321M313-L317 HydrophobicContact CG-CD1 4Å; M313-L317 HydrophobicContact CG-CG 4.44Å; M313-L317 WeakPolarHBondContact O-CB 3.38Å; M313-L317 VanDerWaalsContact O-CG 3.24Å; M313-L317 WeakPolarHBondContact O-CG 3.49Å; M313-L317 PolarHBondContact O-N 3.39Å; M313-L317 HydrophobicContact SD-CD1 3.96Å; M313-L317 HydrophobicContact SD-CD2 4.45Å; M313-L317 HydrophobicContact SD-CG 3.98Å; K314-L317 PolarHBondContact O-N 3.21Å; E315-L317 PolarHBondContact O-N 2.97Å; L317-N321 VanDerWaalsContact O-CB 3.23Å; L317-N321 WeakPolarHBondContact O-CB 3.42Å; L317-N321 PolarHBondContact O-N 2.89Å; L317-N321 PolarHBondContact O-ND2 2.9Å
318E97.8Very high98Very high141 Ų14172.9 Ų72.966%0.65936%0.36SS*.Hα-helixtrans-63.7-48.4175-74.5173.5-172.500111.7K314 E315 N321 L322K314-E318 WeakPolarHBondContact O-CG 3.34Å; K314-E318 PolarHBondContact O-N 3.45Å; E315-E318 PolarHBondContact O-N 2.97Å; E318-N321 PolarHBondContact O-N 3.18Å; E318-L322 PolarHBondContact O-N 3.05Å
319G97.8Very high97.9Very high19 Ų1974.3 Ų74.320%0.19637%0.366CS..Hα-helixtrans-60.3-47.5175.200000112.3N243 E315 N321 L322 I323N243-G319 WeakPolarHBondContact OD1-CA 3.28Å; E315-G319 PolarHBondContact O-N 3.47Å; G319-N321 PolarHBondContact O-N 3.35Å; G319-L322 PolarHBondContact O-N 3.13Å; G319-I323 VanDerWaalsContact O-CG1 3.3Å; G319-I323 WeakPolarHBondContact O-CG1 3.43Å; G319-I323 PolarHBondContact O-N 2.85Å
320R98.2Very high97.8Very high128 Ų12873.1 Ų73.148%0.48336%0.362SS..Hα-helixtrans-60.3-43176.1-171.8179.9-176.3-178.6-1.7112.2N243 Y316 L322 I323 T324N243-R320 PolarHBondContact OD1-N 3.4Å; Y316-R320 WeakPolarHBondContact O-CB 3.45Å; Y316-R320 PolarHBondContact O-N 3.16Å; Y316-R320 PolarHBondContact OH-NH1 2.93Å; R320-L322 VanDerWaalsContact C-N 3.33Å; R320-L322 PolarHBondContact O-N 2.88Å; R320-I323 PolarHBondContact O-N 3.27Å; R320-T324 PolarHBondContact O-N 2.97Å; R320-T324 PolarHBondContact O-OG1 3.13Å; R320-T324 VanDerWaalsContact O-OG1 3.13Å
321N97.8Very high97.7Very high91 Ų9171.2 Ų71.249%0.48736%0.357SS..Hα-helixtrans-60.8-41.5177.4-79.2-21.9000111.7L317 E318 G319 K325L317-N321 VanDerWaalsContact O-CB 3.23Å; L317-N321 WeakPolarHBondContact O-CB 3.42Å; L317-N321 PolarHBondContact O-N 2.89Å; L317-N321 PolarHBondContact O-ND2 2.9Å; E318-N321 PolarHBondContact O-N 3.18Å; G319-N321 PolarHBondContact O-N 3.35Å; N321-K325 VanDerWaalsContact O-CG 3.3Å; N321-K325 WeakPolarHBondContact O-CG 3.38Å; N321-K325 PolarHBondContact O-N 2.83Å
322L97.8Very high97.6Very high57 Ų5772.2 Ų72.230%0.29836%0.359SS..Hα-helixtrans-66.1-45.7175.4-178.259.1000111.3L239 E318 G319 R320 T324 K325 L326L239-L322 HydrophobicContact CD1-CD2 3.67Å; L239-L322 HydrophobicContact CD1-CG 3.95Å; L239-L322 HydrophobicContact CD2-CD2 4.18Å; E318-L322 PolarHBondContact O-N 3.05Å; G319-L322 PolarHBondContact O-N 3.13Å; R320-L322 VanDerWaalsContact C-N 3.33Å; R320-L322 PolarHBondContact O-N 2.88Å; L322-T324 PolarHBondContact O-N 3.05Å; L322-K325 PolarHBondContact O-N 3.01Å; L322-L326 HydrophobicContact CD1-CD1 3.99Å; L322-L326 HydrophobicContact CD1-CD2 4.45Å; L322-L326 HydrophobicContact CD1-CG 3.99Å; L322-L326 HydrophobicContact CG-CD1 4.02Å; L322-L326 HydrophobicContact CG-CG 4.35Å; L322-L326 WeakPolarHBondContact O-CG 3.48Å; L322-L326 PolarHBondContact O-N 2.89Å
323I98.2Very high97.4Very high21 Ų2171 Ų7111%0.10835%0.354CS..Hα-helixtrans-57.1-47.9176.5-68.8163.9000110.6L236 L239 K240 N243 G319 R320 K325 L326 Q327L236-I323 HydrophobicContact CD2-CG2 4.08Å; L239-I323 HydrophobicContact CB-CD1 4.29Å; L239-I323 HydrophobicContact CB-CG1 3.9Å; K240-I323 HydrophobicContact CG-CD1 4.2Å; K240-I323 HydrophobicContact CG-CG2 4.24Å; N243-I323 HydrophobicContact CB-CD1 3.64Å; G319-I323 VanDerWaalsContact O-CG1 3.3Å; G319-I323 WeakPolarHBondContact O-CG1 3.43Å; G319-I323 PolarHBondContact O-N 2.85Å; R320-I323 PolarHBondContact O-N 3.27Å; I323-K325 VanDerWaalsContact C-N 3.33Å; I323-K325 PolarHBondContact O-N 3.03Å; I323-L326 PolarHBondContact O-N 2.96Å; I323-Q327 WeakPolarHBondContact O-CB 3.31Å; I323-Q327 PolarHBondContact O-N 3.17Å
324T97.8Very high97.1Very high87 Ų8773.5 Ų73.553%0.53437%0.366SS..Hα-helixtrans-58.5-43.2179.2-63.50000112R320 L322 A328R320-T324 PolarHBondContact O-N 2.97Å; R320-T324 PolarHBondContact O-OG1 3.13Å; R320-T324 VanDerWaalsContact O-OG1 3.13Å; L322-T324 PolarHBondContact O-N 3.05Å; T324-A328 WeakPolarHBondContact O-CB 3.48Å; T324-A328 PolarHBondContact O-N 3.27Å; T324-A328 VanDerWaalsContact O-N 3.11Å
325K97.8Very high96.8Very high138 Ų13873 Ų7360%0.636%0.364SS*.Hα-helixtrans-64.4-46.7177.7-69.1169.1-173.3177.20112.1N321 L322 I323 K329N321-K325 VanDerWaalsContact O-CG 3.3Å; N321-K325 WeakPolarHBondContact O-CG 3.38Å; N321-K325 PolarHBondContact O-N 2.83Å; L322-K325 PolarHBondContact O-N 3.01Å; I323-K325 VanDerWaalsContact C-N 3.33Å; I323-K325 PolarHBondContact O-N 3.03Å; K325-K329 PolarHBondContact O-N 3.4Å
326L97.8Very high96.5Very high19 Ų1970.8 Ų70.810%0.09936%0.355CS..Hα-helixtrans-71.8-39.5-177.9-64.1-176.5000111.8L232 R235 L236 L239 L322 I323 K329 H330L232-L326 HydrophobicContact CD2-CB 4.29Å; L232-L326 HydrophobicContact CD2-CD2 3.75Å; L232-L326 HydrophobicContact CD2-CG 4.47Å; R235-L326 HydrophobicContact CG-CD1 4.2Å; L236-L326 HydrophobicContact CD1-CB 4.41Å; L236-L326 HydrophobicContact CD2-CB 3.76Å; L236-L326 HydrophobicContact CG-CB 4.01Å; L239-L326 HydrophobicContact CD1-CD1 3.74Å; L322-L326 HydrophobicContact CD1-CD1 3.99Å; L322-L326 HydrophobicContact CD1-CD2 4.45Å; L322-L326 HydrophobicContact CD1-CG 3.99Å; L322-L326 HydrophobicContact CG-CD1 4.02Å; L322-L326 HydrophobicContact CG-CG 4.35Å; L322-L326 WeakPolarHBondContact O-CG 3.48Å; L322-L326 PolarHBondContact O-N 2.89Å; I323-L326 PolarHBondContact O-N 2.96Å; L326-K329 PolarHBondContact O-N 2.75Å; L326-H330 WeakPolarHBondContact O-CB 3.46Å; L326-H330 PolarHBondContact O-N 2.68Å
327Q97.5Very high95.9Very high38 Ų3870.6 Ų70.618%0.17836%0.356CS..Hα-helixtrans-62.8-45.3178.1-170.868.758.200110.9L236 K240 I323 K329 H330 D331L236-Q327 HydrophobicContact CD1-CB 4.43Å; L236-Q327 HydrophobicContact CD2-CB 4.15Å; K240-Q327 VanDerWaalsContact CE-OE1 3.24Å; I323-Q327 WeakPolarHBondContact O-CB 3.31Å; I323-Q327 PolarHBondContact O-N 3.17Å; Q327-K329 VanDerWaalsContact C-N 3.31Å; Q327-K329 PolarHBondContact O-N 2.8Å; Q327-H330 PolarHBondContact O-N 3.34Å; Q327-D331 PolarHBondContact NE2-OD1 3.45Å; Q327-D331 WeakPolarHBondContact O-CB 3.35Å; Q327-D331 PolarHBondContact O-N 3.12Å
328A96.9Very high94.4Very high63 Ų6368.3 Ų68.352%0.52135%0.351SS..Hα-helixtrans-59.6-39.7177.300000112.8T324 L332T324-A328 WeakPolarHBondContact O-CB 3.48Å; T324-A328 PolarHBondContact O-N 3.27Å; T324-A328 VanDerWaalsContact O-N 3.11Å; A328-L332 PolarHBondContact O-N 2.9Å
329K96.4Very high92.2Very high121 Ų12167 Ų6753%0.52635%0.345SS..Hα-helixtrans-69.1-44.1175.4-69.3-179.8-178.2-176.50111.9L232 K325 L326 Q327 L332 L333L232-K329 HydrophobicContact CD1-CB 4.14Å; K325-K329 PolarHBondContact O-N 3.4Å; L326-K329 PolarHBondContact O-N 2.75Å; Q327-K329 VanDerWaalsContact C-N 3.31Å; Q327-K329 PolarHBondContact O-N 2.8Å; K329-L332 PolarHBondContact O-N 3.14Å; K329-L333 WeakPolarHBondContact O-CG 3.42Å; K329-L333 PolarHBondContact O-N 3.25Å; K329-L333 VanDerWaalsContact O-N 3.08Å
330H96.6Very high89.8Confident13 Ų1368.8 Ų68.86%0.0635%0.354CS..Hα-helixtrans-58.9-48.6176.6172.9-86.4000111L232 Q233 L236 L326 Q327 L332 L333 Q334L232-H330 HydrophobicContact CB-CB 4.17Å; L232-H330 HydrophobicContact CD1-CB 4.35Å; Q233-H330 PolarHBondContact OE1-CE1 3.47Å; Q233-H330 PolarHBondContact OE1-NE2 2.91Å; Q233-H330 VanDerWaalsContact OE1-NE2 3.13Å; L236-H330 HydrophobicContact CD1-CB 3.7Å; L326-H330 WeakPolarHBondContact O-CB 3.46Å; L326-H330 PolarHBondContact O-N 2.68Å; Q327-H330 PolarHBondContact O-N 3.34Å; H330-L332 VanDerWaalsContact C-N 3.31Å; H330-L332 PolarHBondContact O-N 2.98Å; H330-L333 PolarHBondContact O-N 3.36Å; H330-Q334 VanDerWaalsContact O-CB 3.23Å; H330-Q334 WeakPolarHBondContact O-CB 3.4Å; H330-Q334 PolarHBondContact O-N 3.05Å
331D95.7Very high87.1Confident80 Ų8070.3 Ų70.343%0.42837%0.367SS..Hα-helixtrans-64.5-36.9-176.8-66.5-11.9000112.1Q327 K335Q327-D331 PolarHBondContact NE2-OD1 3.45Å; Q327-D331 WeakPolarHBondContact O-CB 3.35Å; Q327-D331 PolarHBondContact O-N 3.12Å; D331-K335 VanDerWaalsContact O-CB 3.32Å; D331-K335 WeakPolarHBondContact O-CB 3.46Å; D331-K335 PolarHBondContact O-N 3.29Å
332L95.6Very high84.2Confident97 Ų9776.8 Ų76.851%0.50838%0.384SS..Hα-helixtrans-65.7-45.6174.2-174.263.6000111.7L215 A328 K329 H330 K335 T336L215-L332 HydrophobicContact CD1-CD2 3.96Å; L215-L332 HydrophobicContact CD1-CG 3.7Å; L215-L332 HydrophobicContact CG-CD2 4.22Å; L215-L332 HydrophobicContact CG-CG 4.31Å; A328-L332 PolarHBondContact O-N 2.9Å; K329-L332 PolarHBondContact O-N 3.14Å; H330-L332 VanDerWaalsContact C-N 3.31Å; H330-L332 PolarHBondContact O-N 2.98Å; L332-K335 PolarHBondContact O-N 3.41Å; L332-T336 PolarHBondContact O-N 2.92Å; L332-T336 VanDerWaalsContact O-N 3.14Å; L332-T336 PolarHBondContact O-OG1 3.17Å
333L94.3Very high81.4Confident14 Ų1479.4 Ų79.47%0.07340%0.403CS..Hα-helixtrans-63.8-44.9176.3-72.6168.8000111.7L215 L225 R228 C229 L232 K329 H330 K335 T336 L337L215-L333 HydrophobicContact CD1-CD2 3.86Å; L215-L333 HydrophobicContact CD1-CG 4.44Å; L225-L333 HydrophobicContact CB-CD2 4.28Å; L225-L333 HydrophobicContact CD2-CD2 3.76Å; L225-L333 HydrophobicContact CG-CD2 4.47Å; R228-L333 HydrophobicContact CG-CD1 4.44Å; C229-L333 HydrophobicContact CB-CB 4.28Å; L232-L333 HydrophobicContact CD1-CD1 3.7Å; K329-L333 WeakPolarHBondContact O-CG 3.42Å; K329-L333 PolarHBondContact O-N 3.25Å; K329-L333 VanDerWaalsContact O-N 3.08Å; H330-L333 PolarHBondContact O-N 3.36Å; L333-K335 VanDerWaalsContact C-N 3.29Å; L333-K335 PolarHBondContact O-N 3.02Å; L333-T336 PolarHBondContact O-N 3.4Å; L333-L337 HydrophobicContact CB-CD1 4.49Å; L333-L337 VanDerWaalsContact O-CB 3.3Å; L333-L337 WeakPolarHBondContact O-CB 3.4Å; L333-L337 VanDerWaalsContact O-CG 3.24Å; L333-L337 WeakPolarHBondContact O-CG 3.49Å; L333-L337 PolarHBondContact O-N 2.97Å
334Q93.3Very high78.2Confident100 Ų10085.8 Ų85.847%0.46744%0.437SS..Hα-helixtrans-60.3-40.1178.2-173.167.329.900111H330 G338H330-Q334 VanDerWaalsContact O-CB 3.23Å; H330-Q334 WeakPolarHBondContact O-CB 3.4Å; H330-Q334 PolarHBondContact O-N 3.05Å; Q334-G338 WeakPolarHBondContact O-CA 3.49Å; Q334-G338 PolarHBondContact O-N 3.32Å
335K91.9Very high74.8Confident130 Ų13087.7 Ų87.757%0.56545%0.453SS*.Hα-helixtrans-62.4-50.3175.5-172.4179.6178.5-175.80111.4D331 L332 L333 E339D331-K335 VanDerWaalsContact O-CB 3.32Å; D331-K335 WeakPolarHBondContact O-CB 3.46Å; D331-K335 PolarHBondContact O-N 3.29Å; L332-K335 PolarHBondContact O-N 3.41Å; L333-K335 VanDerWaalsContact C-N 3.29Å; L333-K335 PolarHBondContact O-N 3.02Å; K335-E339 VanDerWaalsContact CE-OE1 3.31Å; K335-E339 WeakPolarHBondContact CE-OE1 3.48Å; K335-E339 WeakPolarHBondContact O-CB 3.16Å; K335-E339 VanDerWaalsContact O-CG 3.31Å; K335-E339 WeakPolarHBondContact O-CG 3.37Å; K335-E339 PolarHBondContact O-N 3.46Å
336T90Very high71.5Confident27 Ų2786.5 Ų86.517%0.16646%0.461CS..Hα-helixtrans-67.7-40.2-178.3-54.70000112.8L215 A217 L332 L333 S340L215-T336 HydrophobicContact CB-CG2 3.93Å; A217-T336 HydrophobicContact CB-CG2 3.72Å; L332-T336 PolarHBondContact O-N 2.92Å; L332-T336 VanDerWaalsContact O-N 3.14Å; L332-T336 PolarHBondContact O-OG1 3.17Å; L333-T336 PolarHBondContact O-N 3.4Å; T336-S340 PolarHBondContact O-N 3.21Å; T336-S340 PolarHBondContact O-OG 3.49Å
337L87.2Confident68.4Low22 Ų2294 Ų9412%0.11550%0.501CS..Hα-helixtrans-77.1-32.7-180-64.7171.8000112.4A217 Q222 L225 V226 C229 L333A217-L337 HydrophobicContact CB-CD2 4.12Å; Q222-L337 HydrophobicContact CG-CD2 4.36Å; L225-L337 HydrophobicContact CB-CD2 4.36Å; V226-L337 HydrophobicContact CG2-CD1 4.02Å; V226-L337 HydrophobicContact CG2-CD2 3.81Å; V226-L337 HydrophobicContact CG2-CG 4.48Å; C229-L337 HydrophobicContact CB-CD1 3.82Å; L333-L337 HydrophobicContact CB-CD1 4.49Å; L333-L337 VanDerWaalsContact O-CB 3.3Å; L333-L337 WeakPolarHBondContact O-CB 3.4Å; L333-L337 VanDerWaalsContact O-CG 3.24Å; L333-L337 WeakPolarHBondContact O-CG 3.49Å; L333-L337 PolarHBondContact O-N 2.97Å
338G67.1Low65.1Low29 Ų2997.3 Ų97.330%0.29953%0.534SS..Hα-helixtrans-73.8-30.9175.700000113.9Q334Q334-G338 WeakPolarHBondContact O-CA 3.49Å; Q334-G338 PolarHBondContact O-N 3.32Å
339E51.4Low61.9Low114 Ų114103.6 Ų103.653%0.53355%0.545SS..Hα-helixtrans-73-33172.1-74.7173-173.900111.8K335 Q341 R342K335-E339 VanDerWaalsContact CE-OE1 3.31Å; K335-E339 WeakPolarHBondContact CE-OE1 3.48Å; K335-E339 WeakPolarHBondContact O-CB 3.16Å; K335-E339 VanDerWaalsContact O-CG 3.31Å; K335-E339 WeakPolarHBondContact O-CG 3.37Å; K335-E339 PolarHBondContact O-N 3.46Å; E339-Q341 PolarHBondContact O-N 3.38Å; E339-R342 PolarHBondContact O-N 3.46Å
340S46.9Very low58.7Low56 Ų56108 Ų10839%0.39256%0.558SS.*THydrogen-bonded Turntrans-71-14.4176.5-57.60000114.1T336T336-S340 PolarHBondContact O-N 3.21Å; T336-S340 PolarHBondContact O-OG 3.49Å
341Q41.8Very low55.3Low159 Ų159112 Ų11274%0.74359%0.587SS**THydrogen-bonded Turntrans-92.4-4.3176.6-103.4179.6-700114.2E339E339-Q341 PolarHBondContact O-N 3.38Å
342R37.2Very low52.2Low228 Ų228113.7 Ų113.786%0.8661%0.606SS**SBendtrans-89.4-9.3-179.8-79.1-172.9173.6172.7-0.1114.8E339E339-R342 PolarHBondContact O-N 3.46Å
343T37Very low49Very low112 Ų112114.3 Ų114.369%0.68761%0.614SS**SBendtrans-104.3-2.7-172.83.80000116.3
344D31.9Very low46.1Very low155 Ų155120.4 Ų120.483%0.82965%0.651SS**  trans-148.295.2170.1-84.2-45.9000110.7
345C26.2Very low43Very low127 Ų127126.8 Ų126.886%0.85867%0.671SS**  trans-145.779.9167.5-127.20000110.2
346S29.7Very low40.1Very low112 Ų112129.4 Ų129.478%0.78368%0.682SS**  trans-138.4122.2157.5-66.80000107.2
347L31.9Very low37.4Very low177 Ų177136.8 Ų136.893%0.92772%0.715SS**  trans78.297.3170.9-49165.7000116.4
348A28.9Very low34.7Very low107 Ų107143.1 Ų143.188%0.88475%0.749SS**  169.3140.7109.700000112.7
349R28.2Very low33.4Very low196 Ų196147.6 Ų147.674%0.7478%0.775SS**  trans-68.9153.8176.5-79.8154.345.3131-9113.2
350R29.8Very low33.2Very low213 Ų213147.3 Ų147.380%0.80479%0.786SS**  trans65.4114.2148.6-70.6172.5175.1-174.5-4.2117.4
351S25.3Very low33.8Very low96 Ų96150.4 Ų150.467%0.67179%0.794SS**  166.5120.8100.9-169.80000109.4T353S351-T353 PolarHBondContact O-N 3.03Å; S351-T353 VanDerWaalsContact O-N 3.16Å
352S31.6Very low35.4Very low117 Ų117145 Ų14582%0.81878%0.777SS**  trans-60.5108.8165.347.40000109.7
353T27.6Very low37.8Very low110 Ų110134.3 Ų134.368%0.67574%0.737SS**  trans-130.298.5162.444.60000108.4S351 R355S351-T353 PolarHBondContact O-N 3.03Å; S351-T353 VanDerWaalsContact O-N 3.16Å; T353-R355 PolarHBondContact O-N 3.33Å
354V32.4Very low40.4Very low141 Ų141130.6 Ų130.686%0.85572%0.715SS**  trans-58.9111.3161.5172.40000106.6K356V354-K356 PolarHBondContact O-N 3.2Å
355R29.4Very low43.1Very low234 Ų234125.8 Ų125.888%0.88369%0.689SS**  trans-84.2109.5168.9-78.5-171.9177.6-176.1-0.7108.4T353T353-R355 PolarHBondContact O-N 3.33Å
356K30.3Very low46.3Very low185 Ų185120.9 Ų120.980%0.80466%0.655SS**PPolyproline II helixtrans-48.5139.4164.6-75.6173.2167.7-1790110.8V354V354-K356 PolarHBondContact O-N 3.2Å
357Q34.4Very low49.4Very low182 Ų182115.5 Ų115.585%0.8562%0.617SS**PPolyproline II helixtrans-59.3137154.4-84.6176.2-36.100109S359Q357-S359 PolarHBondContact O-N 3.23Å
358D30.3Very low52.3Low156 Ų156110.9 Ų110.983%0.83459%0.591SS**PPolyproline II helixtrans-62.5120.5-180-79.2-46.1000111.5S360D358-S360 PolarHBondContact O-N 2.95Å
359S39.9Very low55.3Low122 Ų122105.9 Ų105.985%0.85355%0.549SS*.  trans-87.770.8174.357.90000110.5Q357Q357-S359 PolarHBondContact O-N 3.23Å
360S46.4Very low58.5Low108 Ų10896.5 Ų96.576%0.75551%0.514SS*.  trans-110.1-10.3175.7530000114.6D358D358-S360 PolarHBondContact O-N 2.95Å
361Q59.7Low61.6Low121 Ų12186.4 Ų86.457%0.56548%0.476SS*.  trans-100.9122.1168.8-80.1-179.8-16.100110.6I363Q361-I363 VanDerWaalsContact C-N 3.3Å
362A75.5Confident64.8Low47 Ų4784.5 Ų84.539%0.38845%0.454SS..SBendtrans-74.3-20.3179.300000113.2P547A362-P547 VanDerWaalsContact CB-CD 3.46Å; A362-P547 HydrophobicContact CB-CG 3.82Å
363I86.9Confident67.7Low3 Ų379 Ų792%0.01542%0.415CS..SBendtrans-128133.1172.2-61.5-178.7000107.7Q361 V367 E368 I473 Y477 P547Q361-I363 VanDerWaalsContact C-N 3.3Å; I363-V367 HydrophobicContact CG2-CB 3.97Å; I363-V367 HydrophobicContact CG2-CG1 3.96Å; I363-E368 HydrophobicContact CG2-CB 4.07Å; I363-I473 HydrophobicContact CG1-CG2 4.15Å; I363-Y477 HydrophobicContact CD1-CD1 3.84Å; I363-Y477 HydrophobicContact CD1-CD2 3.26Å; I363-Y477 HydrophobicContact CD1-CE1 4.24Å; I363-Y477 HydrophobicContact CD1-CE2 3.72Å; I363-Y477 HydrophobicContact CD1-CG 3.33Å; I363-P547 HydrophobicContact CD1-CB 3.69Å; I363-P547 HydrophobicContact CD1-CG 4.1Å; I363-P547 HydrophobicContact CG1-CB 4.28Å; I363-P547 HydrophobicContact CG1-CG 4.13Å
364P91.4Very high70.9Confident34 Ų3473.8 Ų73.822%0.22138%0.383CS..  trans-59.7136.2175.9-23.233.5000112.1V366 V367 E368 Y427 I474P364-V366 PolarHBondContact O-N 3.49Å; P364-V366 VanDerWaalsContact O-N 3.1Å; P364-V367 HydrophobicContact CB-CG2 4.23Å; P364-V367 HydrophobicContact CG-CG2 4.39Å; P364-V367 WeakPolarHBondContact O-CB 3.42Å; P364-V367 PolarHBondContact O-N 3.27Å; P364-E368 PolarHBondContact O-N 3.05Å; P364-Y427 HydrophobicContact CB-CE1 4.41Å; P364-Y427 WeakPolarHBondContact CB-OH 3.37Å; P364-Y427 HydrophobicContact CG-CE1 4.35Å; P364-Y427 WeakPolarHBondContact CG-OH 3.47Å; P364-I474 HydrophobicContact CG-CD1 4.1Å
365L90.2Very high73.7Confident54 Ų5467.8 Ų67.828%0.28335%0.348SS..Hα-helixtrans-50.8-38.4-178.3-177.563.1000113.7V367 E368 S369 F401 D406L365-V367 VanDerWaalsContact C-N 3.33Å; L365-V367 PolarHBondContact O-N 3.17Å; L365-E368 PolarHBondContact O-N 2.86Å; L365-S369 WeakPolarHBondContact O-CB 3.39Å; L365-S369 PolarHBondContact O-N 3.43Å; L365-F401 HydrophobicContact CG-CE1 4.35Å; L365-D406 HydrophobicContact CD2-CB 4.24Å
366V93.3Very high76.6Confident23 Ų2363.8 Ų63.814%0.13933%0.333CS..Hα-helixtrans-60.8-42.2177.1-168.70000111.7P364 C370 F401 V423 Y427P364-V366 PolarHBondContact O-N 3.49Å; P364-V366 VanDerWaalsContact O-N 3.1Å; V366-C370 VanDerWaalsContact O-CB 3.25Å; V366-C370 WeakPolarHBondContact O-CB 3.41Å; V366-C370 PolarHBondContact O-N 3.47Å; V366-C370 VanDerWaalsContact O-N 3.12Å; V366-C370 PolarHBondContact O-SG 3.44Å; V366-F401 HydrophobicContact CB-CD1 4.38Å; V366-F401 HydrophobicContact CB-CD2 4.45Å; V366-F401 HydrophobicContact CB-CG 4.24Å; V366-F401 HydrophobicContact CG1-CD2 3.86Å; V366-F401 HydrophobicContact CG1-CE2 4.19Å; V366-F401 HydrophobicContact CG1-CG 4.1Å; V366-F401 HydrophobicContact CG2-CB 3.58Å; V366-F401 HydrophobicContact CG2-CD1 3.87Å; V366-F401 HydrophobicContact CG2-CD2 4.29Å; V366-F401 HydrophobicContact CG2-CG 3.67Å; V366-V423 HydrophobicContact CG1-CG1 3.99Å; V366-Y427 HydrophobicContact CB-CD2 3.97Å; V366-Y427 HydrophobicContact CB-CE2 4.25Å; V366-Y427 HydrophobicContact CB-CG 4.43Å; V366-Y427 HydrophobicContact CG1-CD2 4.03Å; V366-Y427 HydrophobicContact CG1-CG 4.26Å; V366-Y427 HydrophobicContact CG2-CD2 4.21Å; V366-Y427 HydrophobicContact CG2-CE2 4.26Å
367V93.9Very high79.5Confident0 Ų058.4 Ų58.40%031%0.31CS..Hα-helixtrans-71-47.8-179.4177.20000109.8I363 P364 L365 I371 L424 Y427 F428I363-V367 HydrophobicContact CG2-CB 3.97Å; I363-V367 HydrophobicContact CG2-CG1 3.96Å; P364-V367 HydrophobicContact CB-CG2 4.23Å; P364-V367 HydrophobicContact CG-CG2 4.39Å; P364-V367 WeakPolarHBondContact O-CB 3.42Å; P364-V367 PolarHBondContact O-N 3.27Å; L365-V367 VanDerWaalsContact C-N 3.33Å; L365-V367 PolarHBondContact O-N 3.17Å; V367-I371 HydrophobicContact CG1-CD1 3.7Å; V367-I371 VanDerWaalsContact O-CB 3.23Å; V367-I371 WeakPolarHBondContact O-CB 3.41Å; V367-I371 VanDerWaalsContact O-CG1 3.26Å; V367-I371 WeakPolarHBondContact O-CG1 3.38Å; V367-I371 PolarHBondContact O-N 3.05Å; V367-L424 HydrophobicContact CB-CD1 4.48Å; V367-L424 HydrophobicContact CG1-CD1 4.39Å; V367-L424 HydrophobicContact CG2-CD1 4.43Å; V367-Y427 HydrophobicContact CG2-CD1 3.41Å; V367-Y427 VanDerWaalsContact CG2-CD1 3.41Å; V367-Y427 HydrophobicContact CG2-CE1 3.23Å; V367-Y427 HydrophobicContact CG2-CG 4.34Å; V367-F428 HydrophobicContact CG1-CZ 3.99Å; V367-F428 HydrophobicContact CG2-CE1 4.39Å; V367-F428 HydrophobicContact CG2-CE2 4.39Å; V367-F428 HydrophobicContact CG2-CZ 3.86Å
368E92.6Very high82.2Confident80 Ų8049.8 Ų49.837%0.37427%0.27SS..Hα-helixtrans-62.7-47.4180-176.2173.1-159.800111.7I363 P364 L365 R372I363-E368 HydrophobicContact CG2-CB 4.07Å; P364-E368 PolarHBondContact O-N 3.05Å; L365-E368 PolarHBondContact O-N 2.86Å; E368-R372 WeakPolarHBondContact O-CB 3.47Å; E368-R372 PolarHBondContact O-N 3.23Å
369S92.4Very high85.2Confident1 Ų143.4 Ų43.41%0.00724%0.236CC..Hα-helixtrans-70.2-45.1-175.6-1600000112.4L365 R372 F373 D406 L408L365-S369 WeakPolarHBondContact O-CB 3.39Å; L365-S369 PolarHBondContact O-N 3.43Å; S369-R372 PolarHBondContact O-N 2.97Å; S369-R372 PolarHBondContact OG-NH2 2.98Å; S369-F373 WeakPolarHBondContact O-CB 3.47Å; S369-F373 PolarHBondContact O-N 3.08Å; S369-D406 WeakPolarHBondContact CB-OD1 3.07Å; S369-D406 VanDerWaalsContact OG-CG 3.23Å; S369-D406 PolarHBondContact OG-OD1 3.21Å; S369-D406 PolarHBondContact OG-OD2 3Å; S369-L408 WeakPolarHBondContact OG-CB 3.22Å
370C94.6Very high87.7Confident0 Ų043.5 Ų43.50%022%0.223CC..Hα-helixtrans-63.5-44.4175.4-68.60000112.1V366 F373 I374 I420 L424V366-C370 VanDerWaalsContact O-CB 3.25Å; V366-C370 WeakPolarHBondContact O-CB 3.41Å; V366-C370 PolarHBondContact O-N 3.47Å; V366-C370 VanDerWaalsContact O-N 3.12Å; V366-C370 PolarHBondContact O-SG 3.44Å; C370-F373 PolarHBondContact O-N 3.15Å; C370-I374 VanDerWaalsContact O-CG1 3.27Å; C370-I374 WeakPolarHBondContact O-CG1 3.45Å; C370-I374 PolarHBondContact O-N 3.36Å; C370-I420 HydrophobicContact CB-CG2 4.06Å; C370-L424 HydrophobicContact CB-CB 4.08Å; C370-L424 HydrophobicContact CB-CD1 4.17Å
371I95.3Very high89.9Confident0 Ų041 Ų410%020%0.199CC..Hα-helixtrans-64.2-43.3178.1-73.9175.2000110.7V367 F373 S375 L424 Y477 L478 F481 Y549V367-I371 HydrophobicContact CG1-CD1 3.7Å; V367-I371 VanDerWaalsContact O-CB 3.23Å; V367-I371 WeakPolarHBondContact O-CB 3.41Å; V367-I371 VanDerWaalsContact O-CG1 3.26Å; V367-I371 WeakPolarHBondContact O-CG1 3.38Å; V367-I371 PolarHBondContact O-N 3.05Å; I371-F373 VanDerWaalsContact C-N 3.34Å; I371-F373 PolarHBondContact O-N 2.92Å; I371-S375 WeakPolarHBondContact O-CB 3.27Å; I371-S375 PolarHBondContact O-N 3.13Å; I371-L424 HydrophobicContact CD1-CD2 4.43Å; I371-L424 HydrophobicContact CG1-CD1 4.33Å; I371-L424 HydrophobicContact CG1-CD2 3.73Å; I371-Y477 HydrophobicContact CB-CE1 4.06Å; I371-Y477 HydrophobicContact CD1-CD1 3.71Å; I371-Y477 HydrophobicContact CD1-CE1 3.77Å; I371-Y477 HydrophobicContact CG2-CE1 3.72Å; I371-L478 HydrophobicContact CD1-CD1 4.21Å; I371-F481 HydrophobicContact CB-CG 4.44Å; I371-F481 HydrophobicContact CD1-CB 4.34Å; I371-F481 HydrophobicContact CD1-CD1 4.19Å; I371-F481 HydrophobicContact CD1-CG 4.35Å; I371-F481 HydrophobicContact CG1-CD1 3.93Å; I371-F481 HydrophobicContact CG1-CE1 4.26Å; I371-F481 HydrophobicContact CG1-CG 4.13Å; I371-F481 HydrophobicContact CG2-CB 3.86Å; I371-F481 HydrophobicContact CG2-CD1 4.31Å; I371-F481 HydrophobicContact CG2-CD2 3.62Å; I371-F481 HydrophobicContact CG2-CE2 4.26Å; I371-F481 HydrophobicContact CG2-CG 3.65Å; I371-Y549 HydrophobicContact CG2-CD2 3.92Å; I371-Y549 HydrophobicContact CG2-CE2 3.79Å
372R92.3Very high91.6Very high57 Ų5741.5 Ų41.522%0.21520%0.201CC..Hα-helixtrans-59.4-44.4176.6176.9-175.255.672.62.9111.5E368 S369 R376 D406 L408E368-R372 WeakPolarHBondContact O-CB 3.47Å; E368-R372 PolarHBondContact O-N 3.23Å; S369-R372 PolarHBondContact O-N 2.97Å; S369-R372 PolarHBondContact OG-NH2 2.98Å; R372-R376 WeakPolarHBondContact O-CG 3.49Å; R372-R376 PolarHBondContact O-N 2.94Å; R372-D406 IonicContact NH2-OD2 2.77Å; R372-L408 PolarHBondContact NH1-O 3.17Å; R372-L408 PolarHBondContact NH2-O 3.03Å
373F92.8Very high92.4Very high1 Ų139.7 Ų39.70%0.00419%0.187CC..Hα-helixtrans-66.9-49.4-179-162.8-83.3000111.7S369 C370 I371 S375 R376 H377 L408 N413 M417 I420S369-F373 WeakPolarHBondContact O-CB 3.47Å; S369-F373 PolarHBondContact O-N 3.08Å; C370-F373 PolarHBondContact O-N 3.15Å; I371-F373 VanDerWaalsContact C-N 3.34Å; I371-F373 PolarHBondContact O-N 2.92Å; F373-S375 VanDerWaalsContact C-N 3.3Å; F373-S375 PolarHBondContact O-N 3.41Å; F373-R376 PolarHBondContact O-N 3.12Å; F373-R376 VanDerWaalsContact O-N 3.15Å; F373-H377 HydrophobicContact CE1-CB 4.44Å; F373-H377 AromaticContact CZ-CD2 3.98Å; F373-H377 PolarHBondContact O-N 3.37Å; F373-L408 HydrophobicContact CB-CD1 4.22Å; F373-L408 HydrophobicContact CD2-CB 4.1Å; F373-L408 HydrophobicContact CD2-CD2 4.38Å; F373-N413 VanDerWaalsContact CZ-OD1 3.25Å; F373-N413 WeakPolarHBondContact CZ-OD1 3.47Å; F373-M417 HydrophobicContact CD1-CE 4.01Å; F373-M417 HydrophobicContact CD1-SD 4.12Å; F373-M417 HydrophobicContact CE1-CE 3.79Å; F373-M417 HydrophobicContact CE1-SD 4.07Å; F373-I420 HydrophobicContact CD1-CD1 3.32Å; F373-I420 HydrophobicContact CE1-CD1 3.36Å; F373-I420 HydrophobicContact CG-CD1 4.06Å; F373-I420 HydrophobicContact CZ-CD1 4.14Å
374I93.9Very high92.8Very high0 Ų039.5 Ų39.50%019%0.186CC..Hα-helixtrans-64-37.8178.3-61.2167.4000110.9C370 R376 G378 L379 I384 F385 I420 A421 L424 F481C370-I374 VanDerWaalsContact O-CG1 3.27Å; C370-I374 WeakPolarHBondContact O-CG1 3.45Å; C370-I374 PolarHBondContact O-N 3.36Å; I374-R376 VanDerWaalsContact C-N 3.25Å; I374-R376 PolarHBondContact O-N 3.21Å; I374-G378 CarbonylContact O-C 3.49Å; I374-G378 VanDerWaalsContact O-CA 3.24Å; I374-G378 WeakPolarHBondContact O-CA 3.32Å; I374-G378 PolarHBondContact O-N 3.42Å; I374-L379 PolarHBondContact O-N 3.07Å; I374-I384 HydrophobicContact CG2-CG1 4.26Å; I374-F385 HydrophobicContact CD1-CE1 4.15Å; I374-F385 HydrophobicContact CD1-CE2 4.45Å; I374-F385 HydrophobicContact CD1-CZ 3.64Å; I374-I420 HydrophobicContact CD1-CG2 4.09Å; I374-I420 HydrophobicContact CG1-CG2 3.97Å; I374-A421 HydrophobicContact CD1-CB 4.31Å; I374-L424 HydrophobicContact CD1-CD2 4.47Å; I374-F481 HydrophobicContact CB-CE2 4.35Å; I374-F481 HydrophobicContact CB-CZ 4.03Å; I374-F481 HydrophobicContact CG2-CE2 4.14Å; I374-F481 HydrophobicContact CG2-CZ 3.68Å
375S92.6Very high93.1Very high16 Ų1638 Ų3811%0.11218%0.176CC..Hα-helixtrans-63.2-29.2176.8-1770000113.2I371 F373 L379 Y549I371-S375 WeakPolarHBondContact O-CB 3.27Å; I371-S375 PolarHBondContact O-N 3.13Å; F373-S375 VanDerWaalsContact C-N 3.3Å; F373-S375 PolarHBondContact O-N 3.41Å; S375-L379 VanDerWaalsContact O-CD1 3.24Å; S375-L379 WeakPolarHBondContact O-CD1 3.32Å; S375-L379 WeakPolarHBondContact O-CG 3.29Å; S375-Y549 PolarHBondContact OG-OH 3.41Å
376R90.8Very high93.3Very high150 Ų15043.5 Ų43.557%0.56619%0.193SC*.Hα-helixtrans-87.9-42.4179.7-73.4-179.4-176.9-173.6-0.9113.2R372 F373 I374 D411R372-R376 WeakPolarHBondContact O-CG 3.49Å; R372-R376 PolarHBondContact O-N 2.94Å; F373-R376 PolarHBondContact O-N 3.12Å; F373-R376 VanDerWaalsContact O-N 3.15Å; I374-R376 VanDerWaalsContact C-N 3.25Å; I374-R376 PolarHBondContact O-N 3.21Å; R376-D411 IonicContact NH1-OD1 3.11Å; R376-D411 IonicContact NH1-OD2 3.71Å
377H90.2Very high93.3Very high72 Ų7245.7 Ų45.733%0.33321%0.206SC..Hα-helixtrans-117.9-15.5-166-59.4-60000113.3F373 D411 M417F373-H377 HydrophobicContact CE1-CB 4.44Å; F373-H377 AromaticContact CZ-CD2 3.98Å; F373-H377 PolarHBondContact O-N 3.37Å; H377-D411 IonicContact CD2-OD1 2.8Å; H377-D411 IonicContact CE1-OD1 3.4Å; H377-D411 IonicContact NE2-OD1 3.55Å; H377-D411 PolarHBondContact NE2-OD1 2.83Å; H377-M417 HydrophobicContact CB-CE 3.15Å; H377-M417 WeakPolarHBondContact O-CE 3.2Å
378G90.8Very high93.1Very high0 Ų050.1 Ų50.10%024%0.237CC..  trans-1176.2-166.100000115.6I374 Q380 H381 M417I374-G378 CarbonylContact O-C 3.49Å; I374-G378 VanDerWaalsContact O-CA 3.24Å; I374-G378 WeakPolarHBondContact O-CA 3.32Å; I374-G378 PolarHBondContact O-N 3.42Å; G378-Q380 VanDerWaalsContact C-N 3.27Å; G378-Q380 PolarHBondContact O-N 3.04Å; G378-H381 WeakPolarHBondContact O-CB 3.31Å; G378-H381 PolarHBondContact O-N 3.44Å; G378-M417 VanDerWaalsContact N-CE 3.3Å
379L93.7Very high92.9Very high23 Ų2346.8 Ų46.812%0.1222%0.224CC..THydrogen-bonded Turntrans-64.9-30.1-178-67.4179.2000113.2I374 S375 L485 F488 N492I374-L379 PolarHBondContact O-N 3.07Å; S375-L379 VanDerWaalsContact O-CD1 3.24Å; S375-L379 WeakPolarHBondContact O-CD1 3.32Å; S375-L379 WeakPolarHBondContact O-CG 3.29Å; L379-L485 HydrophobicContact CD2-CD1 3.66Å; L379-F488 HydrophobicContact CB-CD1 4.43Å; L379-F488 HydrophobicContact CB-CD2 4.16Å; L379-F488 HydrophobicContact CB-CE2 4.39Å; L379-F488 HydrophobicContact CB-CG 4.19Å; L379-F488 HydrophobicContact CD1-CD2 4.27Å; L379-F488 HydrophobicContact CD1-CE2 3.73Å; L379-F488 HydrophobicContact CD1-CZ 3.89Å; L379-F488 HydrophobicContact CD2-CD2 4.43Å; L379-F488 HydrophobicContact CG-CE2 4.45Å; L379-F488 WeakPolarHBondContact O-CB 3.3Å; L379-N492 WeakPolarHBondContact O-CB 3.38Å; L379-N492 PolarHBondContact O-ND2 3.36Å
380Q92.2Very high92.9Very high123 Ų12349.6 Ų49.658%0.57524%0.244SC*.THydrogen-bonded Turntrans-1013.1-179.8-58.7176.5-43.500112.6G378 E382 F488 E491G378-Q380 VanDerWaalsContact C-N 3.27Å; G378-Q380 PolarHBondContact O-N 3.04Å; Q380-E382 PolarHBondContact O-N 2.87Å; Q380-F488 HydrophobicContact CG-CD1 4.49Å; Q380-E491 HydrophobicContact CB-CB 4.43Å; Q380-E491 HydrophobicContact CG-CB 4.49Å; Q380-E491 WeakPolarHBondContact CG-OE2 3.42Å; Q380-E491 PolarHBondContact NE2-OE1 3.42Å; Q380-E491 PolarHBondContact NE2-OE2 3.46Å
381H93.9Very high92.8Very high57 Ų5755.4 Ų55.426%0.26427%0.271SS..  trans-71.9115.1-177.6-172.5-77.6000110.8G378 G383 I384 D418 N492G378-H381 WeakPolarHBondContact O-CB 3.31Å; G378-H381 PolarHBondContact O-N 3.44Å; H381-G383 PolarHBondContact O-N 3.29Å; H381-I384 HydrophobicContact CB-CB 4.33Å; H381-I384 HydrophobicContact CB-CD1 4.44Å; H381-I384 WeakPolarHBondContact O-CB 3.45Å; H381-I384 PolarHBondContact O-N 3.33Å; H381-D418 IonicContact CE1-OD1 2.84Å; H381-D418 PolarHBondContact CE1-OD1 2.97Å; H381-D418 IonicContact CE1-OD2 3.39Å; H381-D418 PolarHBondContact CE1-OD2 2.93Å; H381-D418 IonicContact ND1-OD1 3.1Å; H381-N492 WeakPolarHBondContact O-CB 3.36Å
382E94.3Very high92.6Very high131 Ų13160.2 Ų60.261%0.61230%0.3SS*.THydrogen-bonded Turntrans-57.8129.6-176.7-167.7179165.400111.5Q380 I384 M493Q380-E382 PolarHBondContact O-N 2.87Å; E382-I384 VanDerWaalsContact C-N 3.26Å; E382-I384 PolarHBondContact O-N 3.18Å; E382-M493 HydrophobicContact CG-CB 4.36Å; E382-M493 HydrophobicContact CG-CG 3.86Å
383G93.3Very high92.7Very high8 Ų859.5 Ų59.58%0.08230%0.299CS..THydrogen-bonded Turntrans68.718.4176.200000115.1H381 F385 R386 V387 N492H381-G383 PolarHBondContact O-N 3.29Å; G383-F385 PolarHBondContact O-N 2.84Å; G383-R386 WeakPolarHBondContact O-CA 3.39Å; G383-R386 VanDerWaalsContact O-CB 3.3Å; G383-R386 WeakPolarHBondContact O-CB 3.38Å; G383-R386 PolarHBondContact O-N 3.21Å; G383-V387 PolarHBondContact O-N 3.46Å; G383-N492 PolarHBondContact N-O 3.05Å
384I95Very high92.7Very high0 Ų059.6 Ų59.60%030%0.3CS..THydrogen-bonded Turntrans-51.6133.6177.6-16968.3000111.6I374 H381 E382 R386 M417 A421 L485 N492 M494I374-I384 HydrophobicContact CG2-CG1 4.26Å; H381-I384 HydrophobicContact CB-CB 4.33Å; H381-I384 HydrophobicContact CB-CD1 4.44Å; H381-I384 WeakPolarHBondContact O-CB 3.45Å; H381-I384 PolarHBondContact O-N 3.33Å; E382-I384 VanDerWaalsContact C-N 3.26Å; E382-I384 PolarHBondContact O-N 3.18Å; I384-R386 PolarHBondContact O-N 2.95Å; I384-M417 HydrophobicContact CD1-CB 4.24Å; I384-A421 HydrophobicContact CD1-CB 3.72Å; I384-A421 HydrophobicContact CG1-CB 4.28Å; I384-L485 HydrophobicContact CG2-CD1 4.11Å; I384-L485 HydrophobicContact CG2-CD2 4.04Å; I384-L485 HydrophobicContact CG2-CG 4.4Å; I384-N492 HydrophobicContact CG2-CB 4.38Å; I384-M494 HydrophobicContact CG2-CG 4.23Å; I384-M494 WeakPolarHBondContact O-CE 3.5Å; I384-M494 WeakPolarHBondContact O-CG 3.48Å
385F96.4Very high92.6Very high1 Ų162.8 Ų62.80%0.00432%0.317CS..THydrogen-bonded Turntrans69.1-14.7-168.4-57.9-73.2000117.2I374 G383 A421 L424 K425 F481 L485 L499 C502 F503I374-F385 HydrophobicContact CD1-CE1 4.15Å; I374-F385 HydrophobicContact CD1-CE2 4.45Å; I374-F385 HydrophobicContact CD1-CZ 3.64Å; G383-F385 PolarHBondContact O-N 2.84Å; F385-A421 HydrophobicContact CD1-CB 3.61Å; F385-A421 HydrophobicContact CE1-CB 3.68Å; F385-A421 HydrophobicContact CG-CB 4.2Å; F385-A421 HydrophobicContact CZ-CB 4.33Å; F385-L424 HydrophobicContact CE1-CB 4.32Å; F385-L424 HydrophobicContact CE1-CD2 3.93Å; F385-L424 HydrophobicContact CZ-CD2 3.88Å; F385-K425 HydrophobicContact CB-CD 4.35Å; F385-K425 HydrophobicContact CD1-CD 4.07Å; F385-K425 HydrophobicContact CD1-CG 3.9Å; F385-K425 HydrophobicContact CE1-CG 4.49Å; F385-K425 PolarHBondContact O-NZ 3.08Å; F385-F481 AromaticContact CE2-CE1 3.85Å; F385-F481 HydrophobicContact CE2-CE1 3.85Å; F385-F481 HydrophobicContact CE2-CZ 4.03Å; F385-F481 AromaticContact CZ-CE1 3.77Å; F385-F481 HydrophobicContact CZ-CE1 3.77Å; F385-F481 HydrophobicContact CZ-CZ 4.1Å; F385-L485 HydrophobicContact CD2-CD2 3.71Å; F385-L485 HydrophobicContact CE2-CD2 3.49Å; F385-L485 VanDerWaalsContact CE2-CD2 3.49Å; F385-L499 HydrophobicContact CD2-CD2 4.08Å; F385-C502 HydrophobicContact CB-CB 4.27Å; F385-F503 HydrophobicContact CB-CE2 4.07Å; F385-F503 AromaticContact CD1-CE2 3.45Å; F385-F503 HydrophobicContact CD1-CE2 3.45Å; F385-F503 VanDerWaalsContact CD1-CE2 3.45Å; F385-F503 AromaticContact CD1-CZ 3.55Å; F385-F503 HydrophobicContact CD1-CZ 3.55Å; F385-F503 AromaticContact CD2-CE2 3.82Å; F385-F503 HydrophobicContact CD2-CE2 3.82Å; F385-F503 HydrophobicContact CD2-CZ 4.45Å; F385-F503 AromaticContact CE1-CE2 3.76Å; F385-F503 HydrophobicContact CE1-CE2 3.76Å; F385-F503 AromaticContact CE1-CZ 3.44Å; F385-F503 HydrophobicContact CE1-CZ 3.44Å; F385-F503 VanDerWaalsContact CE1-CZ 3.44Å; F385-F503 HydrophobicContact CE2-CE2 4.09Å; F385-F503 HydrophobicContact CE2-CZ 4.36Å; F385-F503 HydrophobicContact CG-CD2 4.48Å; F385-F503 AromaticContact CG-CE2 3.5Å; F385-F503 HydrophobicContact CG-CE2 3.5Å; F385-F503 VanDerWaalsContact CG-CE2 3.5Å; F385-F503 HydrophobicContact CG-CZ 4.08Å; F385-F503 HydrophobicContact CZ-CE2 4.06Å; F385-F503 AromaticContact CZ-CZ 3.87Å; F385-F503 HydrophobicContact CZ-CZ 3.87Å
386R94.6Very high92.6Very high170 Ų17066.6 Ų66.664%0.64234%0.336SS*.THydrogen-bonded Turntrans-91-47.3172.9177.3-179.1174.6-177.2-4.1111.5G383 I384 M494G383-R386 WeakPolarHBondContact O-CA 3.39Å; G383-R386 VanDerWaalsContact O-CB 3.3Å; G383-R386 WeakPolarHBondContact O-CB 3.38Å; G383-R386 PolarHBondContact O-N 3.21Å; I384-R386 PolarHBondContact O-N 2.95Å; R386-M494 HydrophobicContact CB-CE 3.8Å; R386-M494 HydrophobicContact CB-SD 3.76Å
387V93.1Very high92.7Very high69 Ų6959.7 Ų59.742%0.41831%0.31SS..SBendtrans-69.6143174.9-1760000109G383 D418G383-V387 PolarHBondContact O-N 3.46Å; V387-D418 WeakPolarHBondContact CB-OD2 3.38Å; V387-D418 HydrophobicContact CG1-CB 4.46Å; V387-D418 WeakPolarHBondContact CG1-OD2 3.41Å
388S89.9Confident92.7Very high94 Ų9459.2 Ų59.266%0.65731%0.307SS*.PPolyproline II helixtrans-97.7119.5-179.5-64.10000109.5
389G89Confident92.7Very high9 Ų961 Ų619%0.09332%0.317CS..PPolyproline II helixtrans-68.5172.2173.100000113.4Q391G389-Q391 PolarHBondContact O-N 2.94Å; G389-Q391 PolarHBondContact O-NE2 2.74Å
390S93.5Very high92.5Very high60 Ų6060.2 Ų60.242%0.4231%0.314SS..PPolyproline II helixtrans-57.1119.31781740000110.9V392 E393 V394 S419S390-V392 PolarHBondContact O-N 3.38Å; S390-E393 PolarHBondContact O-N 3.47Å; S390-E393 VanDerWaalsContact O-N 3.09Å; S390-V394 VanDerWaalsContact O-CG2 3.29Å; S390-V394 WeakPolarHBondContact O-CG2 3.25Å; S390-V394 PolarHBondContact O-N 3.38Å; S390-S419 PolarHBondContact N-OG 2.9Å
391Q91.9Very high92.5Very high122 Ų12255.1 Ų55.157%0.5729%0.29SS*.Hα-helixtrans-62.1-28.5-178.8-65.5-56.4-6000112.7G389 N395G389-Q391 PolarHBondContact O-N 2.94Å; G389-Q391 PolarHBondContact O-NE2 2.74Å; Q391-N395 WeakPolarHBondContact O-CB 3.41Å; Q391-N395 PolarHBondContact O-N 3.02Å; Q391-N395 PolarHBondContact O-ND2 2.86Å
392V91.6Very high92.1Very high101 Ų10157.5 Ų57.561%0.61230%0.301SS*.Hα-helixtrans-65.6-49.9175179.70000109.5S390 N395 D396S390-V392 PolarHBondContact O-N 3.38Å; V392-N395 PolarHBondContact O-N 2.99Å; V392-D396 VanDerWaalsContact O-CG 3.29Å; V392-D396 PolarHBondContact O-N 3.01Å
393E92.8Very high91.7Very high42 Ų4258.2 Ų58.220%0.19630%0.298CS..Hα-helixtrans-69.6-41-177.6-171.3177.9-162.700112.8S390 N395 D396 I397 H415 D416 S419S390-E393 PolarHBondContact O-N 3.47Å; S390-E393 VanDerWaalsContact O-N 3.09Å; E393-N395 PolarHBondContact O-N 3.03Å; E393-D396 PolarHBondContact O-N 3.25Å; E393-D396 VanDerWaalsContact O-N 3.14Å; E393-I397 HydrophobicContact CG-CD1 3.89Å; E393-I397 HydrophobicContact CG-CG1 4.33Å; E393-I397 WeakPolarHBondContact O-CG1 3.35Å; E393-I397 PolarHBondContact O-N 2.92Å; E393-H415 VanDerWaalsContact OE1-CA 3.3Å; E393-H415 WeakPolarHBondContact OE1-CA 3.36Å; E393-H415 IonicContact OE1-CG 2.67Å; E393-H415 IonicContact OE1-ND1 3.93Å; E393-H415 PolarHBondContact OE1-ND1 2.67Å; E393-D416 PolarHBondContact OE1-N 2.85Å; E393-D416 VanDerWaalsContact OE1-N 3.08Å; E393-D416 VanDerWaalsContact OE2-CB 3.25Å; E393-D416 WeakPolarHBondContact OE2-CB 3.5Å; E393-S419 WeakPolarHBondContact OE2-CB 3.37Å; E393-S419 PolarHBondContact OE2-OG 3.16Å
394V93.6Very high91.2Very high4 Ų460.9 Ų60.92%0.02433%0.325CS..Hα-helixtrans-53.3-45.9171.5171.80000110.5S390 K398 S419 V423 L426S390-V394 VanDerWaalsContact O-CG2 3.29Å; S390-V394 WeakPolarHBondContact O-CG2 3.25Å; S390-V394 PolarHBondContact O-N 3.38Å; V394-K398 VanDerWaalsContact O-CB 3.24Å; V394-K398 WeakPolarHBondContact O-CB 3.36Å; V394-K398 PolarHBondContact O-N 3.24Å; V394-S419 WeakPolarHBondContact CG2-O 3.15Å; V394-V423 HydrophobicContact CB-CG2 4.37Å; V394-V423 HydrophobicContact CG1-CG2 3.97Å; V394-V423 WeakPolarHBondContact O-CG2 3.47Å; V394-L426 HydrophobicContact CG1-CD2 3.94Å
395N91.8Very high90.8Very high67 Ų6765.5 Ų65.536%0.35835%0.347SS..Hα-helixtrans-70.8-37.1179.2-77.7-50.3000112.2Q391 V392 E393 N399Q391-N395 WeakPolarHBondContact O-CB 3.41Å; Q391-N395 PolarHBondContact O-N 3.02Å; Q391-N395 PolarHBondContact O-ND2 2.86Å; V392-N395 PolarHBondContact O-N 2.99Å; E393-N395 PolarHBondContact O-N 3.03Å; N395-N399 WeakPolarHBondContact O-CB 3.46Å; N395-N399 PolarHBondContact O-N 3.37Å; N395-N399 PolarHBondContact O-ND2 2.86Å
396D92.3Very high90.5Very high96 Ų9667.6 Ų67.651%0.51336%0.358SS..Hα-helixtrans-65.7-46.3178.1-73-22.1000112V392 E393 N399 A400V392-D396 VanDerWaalsContact O-CG 3.29Å; V392-D396 PolarHBondContact O-N 3.01Å; E393-D396 PolarHBondContact O-N 3.25Å; E393-D396 VanDerWaalsContact O-N 3.14Å; D396-N399 PolarHBondContact O-N 3.46Å; D396-A400 PolarHBondContact O-N 3.33Å
397I92.4Very high90.1Very high4 Ų461.5 Ų61.52%0.02134%0.34CS..Hα-helixtrans-62.5-46.7175.1-64.1170000110.2E393 N399 A400 F401 P407 H415 I420 V423E393-I397 HydrophobicContact CG-CD1 3.89Å; E393-I397 HydrophobicContact CG-CG1 4.33Å; E393-I397 WeakPolarHBondContact O-CG1 3.35Å; E393-I397 PolarHBondContact O-N 2.92Å; I397-N399 VanDerWaalsContact C-N 3.35Å; I397-N399 PolarHBondContact O-N 3.46Å; I397-A400 WeakPolarHBondContact O-CB 3.44Å; I397-A400 PolarHBondContact O-N 3.12Å; I397-F401 HydrophobicContact CG2-CD2 3.94Å; I397-F401 HydrophobicContact CG2-CE2 3.68Å; I397-F401 VanDerWaalsContact O-CD2 3.31Å; I397-F401 WeakPolarHBondContact O-CD2 3.46Å; I397-F401 PolarHBondContact O-N 2.79Å; I397-F401 VanDerWaalsContact O-N 3.12Å; I397-P407 HydrophobicContact CG2-CG 3.82Å; I397-H415 HydrophobicContact CD1-CB 4.29Å; I397-I420 HydrophobicContact CD1-CG1 4.17Å; I397-V423 HydrophobicContact CB-CG2 3.81Å; I397-V423 HydrophobicContact CG2-CB 4.43Å; I397-V423 HydrophobicContact CG2-CG1 4.23Å; I397-V423 HydrophobicContact CG2-CG2 3.75Å
398K91.3Very high89.8Confident63 Ų6358.2 Ų58.227%0.27432%0.321SS..Hα-helixtrans-57.2-47174.9173.1175.5175-70.50111.8V394 A400 F401 E402 L426V394-K398 VanDerWaalsContact O-CB 3.24Å; V394-K398 WeakPolarHBondContact O-CB 3.36Å; V394-K398 PolarHBondContact O-N 3.24Å; K398-A400 VanDerWaalsContact C-N 3.27Å; K398-A400 PolarHBondContact O-N 2.75Å; K398-F401 PolarHBondContact O-N 2.76Å; K398-E402 VanDerWaalsContact CE-OE1 3.3Å; K398-E402 WeakPolarHBondContact CE-OE1 3.42Å; K398-E402 IonicContact NZ-OE1 3.98Å; K398-E402 PolarHBondContact NZ-OE1 2.78Å; K398-E402 IonicContact NZ-OE2 3.76Å; K398-E402 WeakPolarHBondContact O-CG 3.36Å; K398-E402 PolarHBondContact O-N 3.49Å; K398-L426 HydrophobicContact CD-CD2 3.58Å; K398-L426 HydrophobicContact CD-CG 4.19Å
399N90.9Very high89.4Confident36 Ų3657 Ų5719%0.19332%0.316CS..Hα-helixtrans-65.2-31.2179.9-73.1-37.7000111.9N395 D396 I397 R403N395-N399 WeakPolarHBondContact O-CB 3.46Å; N395-N399 PolarHBondContact O-N 3.37Å; N395-N399 PolarHBondContact O-ND2 2.86Å; D396-N399 PolarHBondContact O-N 3.46Å; I397-N399 VanDerWaalsContact C-N 3.35Å; I397-N399 PolarHBondContact O-N 3.46Å; N399-R403 WeakPolarHBondContact O-CG 3.34Å; N399-R403 PolarHBondContact O-N 3.32Å; N399-R403 VanDerWaalsContact O-N 3.15Å; N399-R403 PolarHBondContact O-NH1 2.83Å
400A89.6Confident88.6Confident7 Ų758.4 Ų58.46%0.05833%0.331CS..Hα-helixtrans-66.2-48.2174.200000111.4D396 I397 K398 E402 R403 G404 E405 P407D396-A400 PolarHBondContact O-N 3.33Å; I397-A400 WeakPolarHBondContact O-CB 3.44Å; I397-A400 PolarHBondContact O-N 3.12Å; K398-A400 VanDerWaalsContact C-N 3.27Å; K398-A400 PolarHBondContact O-N 2.75Å; A400-E402 VanDerWaalsContact C-N 3.3Å; A400-E402 PolarHBondContact O-N 3.08Å; A400-R403 VanDerWaalsContact CA-NH2 3.34Å; A400-R403 WeakPolarHBondContact O-CB 3.46Å; A400-R403 PolarHBondContact O-N 2.95Å; A400-G404 PolarHBondContact O-N 2.93Å; A400-E405 CarbonylContact C-O 3.53Å; A400-E405 HydrophobicContact CB-CB 4.43Å; A400-E405 WeakPolarHBondContact O-CB 3.36Å; A400-E405 PolarHBondContact O-N 3.3Å; A400-E405 VanDerWaalsContact O-N 3.07Å; A400-P407 HydrophobicContact CB-CB 4.12Å; A400-P407 HydrophobicContact CB-CG 3.87Å
401F90.8Very high87.3Confident17 Ų1760.2 Ų60.28%0.07534%0.336CS..Hα-helixtrans-57.5-40.5172.4-78.9-60000113.1L365 V366 I397 K398 R403 G404 E405 D406 P407 L408 V423L365-F401 HydrophobicContact CG-CE1 4.35Å; V366-F401 HydrophobicContact CB-CD1 4.38Å; V366-F401 HydrophobicContact CB-CD2 4.45Å; V366-F401 HydrophobicContact CB-CG 4.24Å; V366-F401 HydrophobicContact CG1-CD2 3.86Å; V366-F401 HydrophobicContact CG1-CE2 4.19Å; V366-F401 HydrophobicContact CG1-CG 4.1Å; V366-F401 HydrophobicContact CG2-CB 3.58Å; V366-F401 HydrophobicContact CG2-CD1 3.87Å; V366-F401 HydrophobicContact CG2-CD2 4.29Å; V366-F401 HydrophobicContact CG2-CG 3.67Å; I397-F401 HydrophobicContact CG2-CD2 3.94Å; I397-F401 HydrophobicContact CG2-CE2 3.68Å; I397-F401 VanDerWaalsContact O-CD2 3.31Å; I397-F401 WeakPolarHBondContact O-CD2 3.46Å; I397-F401 PolarHBondContact O-N 2.79Å; I397-F401 VanDerWaalsContact O-N 3.12Å; K398-F401 PolarHBondContact O-N 2.76Å; F401-R403 VanDerWaalsContact C-N 3.26Å; F401-R403 PolarHBondContact O-N 3.42Å; F401-G404 PolarHBondContact O-N 3.14Å; F401-E405 WeakPolarHBondContact CA-O 3.45Å; F401-D406 HydrophobicContact CE1-CB 4.35Å; F401-D406 WeakPolarHBondContact CE1-OD1 3.31Å; F401-P407 HydrophobicContact CD2-CG 4.09Å; F401-P407 HydrophobicContact CE1-CG 4.48Å; F401-P407 HydrophobicContact CE2-CG 3.78Å; F401-P407 HydrophobicContact CZ-CG 3.99Å; F401-L408 HydrophobicContact CE2-CD1 4.26Å; F401-L408 HydrophobicContact CE2-CG 4.46Å; F401-L408 HydrophobicContact CZ-CD1 4.08Å; F401-L408 HydrophobicContact CZ-CG 4.17Å; F401-V423 HydrophobicContact CD2-CG1 4.37Å
402E86.8Confident86.1Confident107 Ų10761 Ų6150%0.534%0.34SS..Hα-helixtrans-67.9-21.7176.3-73.3179.7-179.200113.9K398 A400 G404K398-E402 VanDerWaalsContact CE-OE1 3.3Å; K398-E402 WeakPolarHBondContact CE-OE1 3.42Å; K398-E402 IonicContact NZ-OE1 3.98Å; K398-E402 PolarHBondContact NZ-OE1 2.78Å; K398-E402 IonicContact NZ-OE2 3.76Å; K398-E402 WeakPolarHBondContact O-CG 3.36Å; K398-E402 PolarHBondContact O-N 3.49Å; A400-E402 VanDerWaalsContact C-N 3.3Å; A400-E402 PolarHBondContact O-N 3.08Å; E402-G404 VanDerWaalsContact C-N 3.27Å
403R84.9Confident84.9Confident146 Ų14661.1 Ų61.155%0.55134%0.336SS*.THydrogen-bonded Turntrans-81.1-6170.7-71.6-174.4-54.5-90.29.6113N399 A400 F401 E405N399-R403 WeakPolarHBondContact O-CG 3.34Å; N399-R403 PolarHBondContact O-N 3.32Å; N399-R403 VanDerWaalsContact O-N 3.15Å; N399-R403 PolarHBondContact O-NH1 2.83Å; A400-R403 VanDerWaalsContact CA-NH2 3.34Å; A400-R403 WeakPolarHBondContact O-CB 3.46Å; A400-R403 PolarHBondContact O-N 2.95Å; F401-R403 VanDerWaalsContact C-N 3.26Å; F401-R403 PolarHBondContact O-N 3.42Å; R403-E405 HydrophobicContact CB-CG 4.42Å; R403-E405 IonicContact CZ-OE2 3.91Å; R403-E405 IonicContact NE-OE1 3.29Å; R403-E405 PolarHBondContact NE-OE1 2.82Å; R403-E405 IonicContact NE-OE2 3.89Å; R403-E405 PolarHBondContact NE-OE2 2.77Å; R403-E405 VanDerWaalsContact NE-OE2 3.1Å; R403-E405 IonicContact NH2-OE2 3.85Å; R403-E405 PolarHBondContact NH2-OE2 3.2Å
404G83.7Confident84.1Confident63 Ų6364.7 Ų64.765%0.64936%0.357SS*.THydrogen-bonded Turntrans83.512.7-17400000113.9A400 F401 E402A400-G404 PolarHBondContact O-N 2.93Å; F401-G404 PolarHBondContact O-N 3.14Å; E402-G404 VanDerWaalsContact C-N 3.27Å
405E86.4Confident83.6Confident98 Ų9867.3 Ų67.346%0.45837%0.369SS..  trans-89.5147.6172.9-63.5159.7-16900109.4A400 F401 R403 P407A400-E405 CarbonylContact C-O 3.53Å; A400-E405 HydrophobicContact CB-CB 4.43Å; A400-E405 WeakPolarHBondContact O-CB 3.36Å; A400-E405 PolarHBondContact O-N 3.3Å; A400-E405 VanDerWaalsContact O-N 3.07Å; F401-E405 WeakPolarHBondContact CA-O 3.45Å; R403-E405 HydrophobicContact CB-CG 4.42Å; R403-E405 IonicContact CZ-OE2 3.91Å; R403-E405 IonicContact NE-OE1 3.29Å; R403-E405 PolarHBondContact NE-OE1 2.82Å; R403-E405 IonicContact NE-OE2 3.89Å; R403-E405 PolarHBondContact NE-OE2 2.77Å; R403-E405 VanDerWaalsContact NE-OE2 3.1Å; R403-E405 IonicContact NH2-OE2 3.85Å; R403-E405 PolarHBondContact NH2-OE2 3.2Å; E405-P407 WeakPolarHBondContact O-CD 3.22Å
406D88.7Confident83.5Confident45 Ų4567.1 Ų67.124%0.24137%0.368CS..  trans-106.294.4169-1763.3000109.3L365 S369 R372 F401 L408 A409L365-D406 HydrophobicContact CD2-CB 4.24Å; S369-D406 WeakPolarHBondContact CB-OD1 3.07Å; S369-D406 VanDerWaalsContact OG-CG 3.23Å; S369-D406 PolarHBondContact OG-OD1 3.21Å; S369-D406 PolarHBondContact OG-OD2 3Å; R372-D406 IonicContact NH2-OD2 2.77Å; F401-D406 HydrophobicContact CE1-CB 4.35Å; F401-D406 WeakPolarHBondContact CE1-OD1 3.31Å; D406-L408 PolarHBondContact O-N 3.36Å; D406-L408 VanDerWaalsContact O-N 3.17Å; D406-L408 PolarHBondContact OD1-N 2.91Å; D406-L408 VanDerWaalsContact OD1-N 3.08Å; D406-A409 HydrophobicContact CB-CB 3.94Å; D406-A409 WeakPolarHBondContact O-CB 3.3Å; D406-A409 PolarHBondContact O-N 2.98Å; D406-A409 PolarHBondContact OD1-N 3.3Å
407P87.1Confident83.6Confident41 Ų4163.3 Ų63.327%0.26635%0.347SS..THydrogen-bonded Turntrans-64-17.9-179.927.9-36000112.6I397 A400 F401 E405I397-P407 HydrophobicContact CG2-CG 3.82Å; A400-P407 HydrophobicContact CB-CB 4.12Å; A400-P407 HydrophobicContact CB-CG 3.87Å; F401-P407 HydrophobicContact CD2-CG 4.09Å; F401-P407 HydrophobicContact CE1-CG 4.48Å; F401-P407 HydrophobicContact CE2-CG 3.78Å; F401-P407 HydrophobicContact CZ-CG 3.99Å; E405-P407 WeakPolarHBondContact O-CD 3.22Å
408L87.8Confident83.8Confident1 Ų163.9 Ų63.91%0.00535%0.35CS..THydrogen-bonded Turntrans-102.911.1-178.1-51.9178.6000112.5S369 R372 F373 F401 D406 G410 I420S369-L408 WeakPolarHBondContact OG-CB 3.22Å; R372-L408 PolarHBondContact NH1-O 3.17Å; R372-L408 PolarHBondContact NH2-O 3.03Å; F373-L408 HydrophobicContact CB-CD1 4.22Å; F373-L408 HydrophobicContact CD2-CB 4.1Å; F373-L408 HydrophobicContact CD2-CD2 4.38Å; F401-L408 HydrophobicContact CE2-CD1 4.26Å; F401-L408 HydrophobicContact CE2-CG 4.46Å; F401-L408 HydrophobicContact CZ-CD1 4.08Å; F401-L408 HydrophobicContact CZ-CG 4.17Å; D406-L408 PolarHBondContact O-N 3.36Å; D406-L408 VanDerWaalsContact O-N 3.17Å; D406-L408 PolarHBondContact OD1-N 2.91Å; D406-L408 VanDerWaalsContact OD1-N 3.08Å; L408-G410 VanDerWaalsContact C-N 3.25Å; L408-G410 PolarHBondContact O-N 3.02Å; L408-I420 HydrophobicContact CD1-CD1 4.37Å; L408-I420 HydrophobicContact CD1-CG1 4.36Å; L408-I420 HydrophobicContact CD1-CG2 3.78Å; L408-I420 HydrophobicContact CD2-CD1 3.75Å; L408-I420 HydrophobicContact CD2-CG1 4.06Å
409A81.1Confident84Confident68 Ų6860.9 Ų60.956%0.56234%0.337SS*.SBendtrans-65.8-27.8-179.900000113D406D406-A409 HydrophobicContact CB-CB 3.94Å; D406-A409 WeakPolarHBondContact O-CB 3.3Å; D406-A409 PolarHBondContact O-N 2.98Å; D406-A409 PolarHBondContact OD1-N 3.3Å
410G72.7Confident84.2Confident39 Ų3959.2 Ų59.240%0.40233%0.328SS..SBendtrans-84.2152.117300000112.3L408 Q412L408-G410 VanDerWaalsContact C-N 3.25Å; L408-G410 PolarHBondContact O-N 3.02Å; G410-Q412 PolarHBondContact O-N 3.38Å
411D65.5Low84.4Confident97 Ų9758.9 Ų58.952%0.51933%0.325SS..  trans-87.923.8176-13210.8000112.3R376 H377R376-D411 IonicContact NH1-OD1 3.11Å; R376-D411 IonicContact NH1-OD2 3.71Å; H377-D411 IonicContact CD2-OD1 2.8Å; H377-D411 IonicContact CE1-OD1 3.4Å; H377-D411 IonicContact NE2-OD1 3.55Å; H377-D411 PolarHBondContact NE2-OD1 2.83Å
412Q65.7Low84.7Confident140 Ų14058.7 Ų58.765%0.65433%0.329SS*.  trans-87.4126.5177.9-62-166.8100.400109.3G410 D414G410-Q412 PolarHBondContact O-N 3.38Å; Q412-D414 PolarHBondContact O-N 3.45Å
413N67.7Low85.1Confident102 Ų10253.8 Ų53.855%0.54531%0.306SS..  trans-79.651.2177.7-102.8-10.9000111.5F373 H415F373-N413 VanDerWaalsContact CZ-OD1 3.25Å; F373-N413 WeakPolarHBondContact CZ-OD1 3.47Å; N413-H415 VanDerWaalsContact C-N 3.34Å
414D74.6Confident85.6Confident118 Ų11846.9 Ų46.963%0.63128%0.28SS*.  trans-85.4-9.8-178.4-65.6-24.7000112.9Q412Q412-D414 PolarHBondContact O-N 3.45Å
415H84.3Confident86.1Confident58 Ų5845.5 Ų45.527%0.26926%0.256SS..SBendtrans-112.1140.8-175.7-68.8-53.6000112.1E393 I397 N413 I420E393-H415 VanDerWaalsContact OE1-CA 3.3Å; E393-H415 WeakPolarHBondContact OE1-CA 3.36Å; E393-H415 IonicContact OE1-CG 2.67Å; E393-H415 IonicContact OE1-ND1 3.93Å; E393-H415 PolarHBondContact OE1-ND1 2.67Å; I397-H415 HydrophobicContact CD1-CB 4.29Å; N413-H415 VanDerWaalsContact C-N 3.34Å; H415-I420 HydrophobicContact CB-CD1 3.94Å; H415-I420 HydrophobicContact CB-CG1 4.21Å
416D90.3Very high86.4Confident64 Ų6443.4 Ų43.434%0.34225%0.248SC..  trans-64.8136174.2176.365.2000111.6E393 D418 S419 I420E393-D416 PolarHBondContact OE1-N 2.85Å; E393-D416 VanDerWaalsContact OE1-N 3.08Å; E393-D416 VanDerWaalsContact OE2-CB 3.25Å; E393-D416 WeakPolarHBondContact OE2-CB 3.5Å; D416-D418 PolarHBondContact O-N 3.44Å; D416-D418 WeakPolarHBondContact OD2-CB 3.04Å; D416-D418 PolarHBondContact OD2-N 2.76Å; D416-D418 VanDerWaalsContact OD2-N 3.16Å; D416-S419 WeakPolarHBondContact O-CB 3.35Å; D416-S419 PolarHBondContact O-N 3.27Å; D416-S419 PolarHBondContact OD2-N 2.85Å; D416-S419 PolarHBondContact OD2-OG 2.96Å; D416-I420 WeakPolarHBondContact O-CG1 3.34Å; D416-I420 PolarHBondContact O-N 3.45Å; D416-I420 VanDerWaalsContact O-N 3.12Å
417M93.8Very high86.7Confident16 Ų1644.3 Ų44.38%0.07925%0.248CC..Hα-helixtrans-66.9-39-176.5-85.1-64-164.400113.1F373 H377 G378 I384 S419 I420 A421F373-M417 HydrophobicContact CD1-CE 4.01Å; F373-M417 HydrophobicContact CD1-SD 4.12Å; F373-M417 HydrophobicContact CE1-CE 3.79Å; F373-M417 HydrophobicContact CE1-SD 4.07Å; H377-M417 HydrophobicContact CB-CE 3.15Å; H377-M417 WeakPolarHBondContact O-CE 3.2Å; G378-M417 VanDerWaalsContact N-CE 3.3Å; I384-M417 HydrophobicContact CD1-CB 4.24Å; M417-S419 VanDerWaalsContact C-N 3.27Å; M417-S419 PolarHBondContact O-N 3.06Å; M417-I420 PolarHBondContact O-N 3.05Å; M417-I420 HydrophobicContact SD-CD1 4.47Å; M417-A421 WeakPolarHBondContact O-CB 3.49Å; M417-A421 PolarHBondContact O-N 3.19Å
418D95.6Very high87Confident16 Ų1642.5 Ų42.59%0.08624%0.236CC..Hα-helixtrans-69.8-29.1177.7-65.6-42.7000111.3H381 V387 D416 G422H381-D418 IonicContact CE1-OD1 2.84Å; H381-D418 PolarHBondContact CE1-OD1 2.97Å; H381-D418 IonicContact CE1-OD2 3.39Å; H381-D418 PolarHBondContact CE1-OD2 2.93Å; H381-D418 IonicContact ND1-OD1 3.1Å; V387-D418 WeakPolarHBondContact CB-OD2 3.38Å; V387-D418 HydrophobicContact CG1-CB 4.46Å; V387-D418 WeakPolarHBondContact CG1-OD2 3.41Å; D416-D418 PolarHBondContact O-N 3.44Å; D416-D418 WeakPolarHBondContact OD2-CB 3.04Å; D416-D418 PolarHBondContact OD2-N 2.76Å; D416-D418 VanDerWaalsContact OD2-N 3.16Å; D418-G422 PolarHBondContact O-N 3.29Å
419S95.3Very high87.2Confident0 Ų051.4 Ų51.40%027%0.27CS..Hα-helixtrans-64.7-46.9170.5-68.20000111.5S390 E393 V394 D416 M417 G422 V423S390-S419 PolarHBondContact N-OG 2.9Å; E393-S419 WeakPolarHBondContact OE2-CB 3.37Å; E393-S419 PolarHBondContact OE2-OG 3.16Å; V394-S419 WeakPolarHBondContact CG2-O 3.15Å; D416-S419 WeakPolarHBondContact O-CB 3.35Å; D416-S419 PolarHBondContact O-N 3.27Å; D416-S419 PolarHBondContact OD2-N 2.85Å; D416-S419 PolarHBondContact OD2-OG 2.96Å; M417-S419 VanDerWaalsContact C-N 3.27Å; M417-S419 PolarHBondContact O-N 3.06Å; S419-G422 WeakPolarHBondContact O-CA 3.29Å; S419-G422 PolarHBondContact O-N 3.25Å; S419-V423 WeakPolarHBondContact O-CG2 3.27Å; S419-V423 PolarHBondContact O-N 3.3Å
420I95.1Very high87.4Confident0 Ų051.2 Ų51.20%027%0.274CS..Hα-helixtrans-63.6-43.8176.6-61171000111.2C370 F373 I374 I397 L408 H415 D416 M417 G422 V423 L424C370-I420 HydrophobicContact CB-CG2 4.06Å; F373-I420 HydrophobicContact CD1-CD1 3.32Å; F373-I420 HydrophobicContact CE1-CD1 3.36Å; F373-I420 HydrophobicContact CG-CD1 4.06Å; F373-I420 HydrophobicContact CZ-CD1 4.14Å; I374-I420 HydrophobicContact CD1-CG2 4.09Å; I374-I420 HydrophobicContact CG1-CG2 3.97Å; I397-I420 HydrophobicContact CD1-CG1 4.17Å; L408-I420 HydrophobicContact CD1-CD1 4.37Å; L408-I420 HydrophobicContact CD1-CG1 4.36Å; L408-I420 HydrophobicContact CD1-CG2 3.78Å; L408-I420 HydrophobicContact CD2-CD1 3.75Å; L408-I420 HydrophobicContact CD2-CG1 4.06Å; H415-I420 HydrophobicContact CB-CD1 3.94Å; H415-I420 HydrophobicContact CB-CG1 4.21Å; D416-I420 WeakPolarHBondContact O-CG1 3.34Å; D416-I420 PolarHBondContact O-N 3.45Å; D416-I420 VanDerWaalsContact O-N 3.12Å; M417-I420 PolarHBondContact O-N 3.05Å; M417-I420 HydrophobicContact SD-CD1 4.47Å; I420-G422 VanDerWaalsContact C-N 3.27Å; I420-G422 PolarHBondContact O-N 3.22Å; I420-V423 PolarHBondContact O-N 2.96Å; I420-L424 PolarHBondContact O-N 2.88Å; I420-L424 VanDerWaalsContact O-N 3.13Å
421A95.8Very high88Confident0 Ų051.5 Ų51.50%027%0.266CS..Hα-helixtrans-61-37.6174.300000112I374 I384 F385 M417 L424 K425I374-A421 HydrophobicContact CD1-CB 4.31Å; I384-A421 HydrophobicContact CD1-CB 3.72Å; I384-A421 HydrophobicContact CG1-CB 4.28Å; F385-A421 HydrophobicContact CD1-CB 3.61Å; F385-A421 HydrophobicContact CE1-CB 3.68Å; F385-A421 HydrophobicContact CG-CB 4.2Å; F385-A421 HydrophobicContact CZ-CB 4.33Å; M417-A421 WeakPolarHBondContact O-CB 3.49Å; M417-A421 PolarHBondContact O-N 3.19Å; A421-L424 PolarHBondContact O-N 2.88Å; A421-K425 PolarHBondContact O-N 3.1Å; A421-K425 VanDerWaalsContact O-N 3.15Å
422G95.3Very high88.7Confident14 Ų1455.4 Ų55.414%0.14428%0.281CS..Hα-helixtrans-60-46.1172.300000112.8D418 S419 I420 L424 K425 L426D418-G422 PolarHBondContact O-N 3.29Å; S419-G422 WeakPolarHBondContact O-CA 3.29Å; S419-G422 PolarHBondContact O-N 3.25Å; I420-G422 VanDerWaalsContact C-N 3.27Å; I420-G422 PolarHBondContact O-N 3.22Å; G422-L424 PolarHBondContact O-N 2.75Å; G422-K425 PolarHBondContact O-N 3.46Å; G422-L426 VanDerWaalsContact O-CB 3.23Å; G422-L426 WeakPolarHBondContact O-CB 3.45Å; G422-L426 PolarHBondContact O-N 2.84Å
423V96Very high89.5Confident4 Ų455.6 Ų55.62%0.02428%0.282CS..Hα-helixtrans-60.3-44.5177.3174.80000111.3V366 V394 I397 F401 S419 I420 L426 Y427V366-V423 HydrophobicContact CG1-CG1 3.99Å; V394-V423 HydrophobicContact CB-CG2 4.37Å; V394-V423 HydrophobicContact CG1-CG2 3.97Å; V394-V423 WeakPolarHBondContact O-CG2 3.47Å; I397-V423 HydrophobicContact CB-CG2 3.81Å; I397-V423 HydrophobicContact CG2-CB 4.43Å; I397-V423 HydrophobicContact CG2-CG1 4.23Å; I397-V423 HydrophobicContact CG2-CG2 3.75Å; F401-V423 HydrophobicContact CD2-CG1 4.37Å; S419-V423 WeakPolarHBondContact O-CG2 3.27Å; S419-V423 PolarHBondContact O-N 3.3Å; I420-V423 PolarHBondContact O-N 2.96Å; V423-L426 PolarHBondContact O-N 2.95Å; V423-Y427 WeakPolarHBondContact O-CB 3.24Å; V423-Y427 PolarHBondContact O-N 3.44Å
424L95.4Very high90.4Very high0 Ų053 Ų530%027%0.27CS..Hα-helixtrans-63.2-44.7179.3-175.362.3000111.8V367 C370 I371 I374 F385 I420 A421 G422 Y427 F428 F481 F503V367-L424 HydrophobicContact CB-CD1 4.48Å; V367-L424 HydrophobicContact CG1-CD1 4.39Å; V367-L424 HydrophobicContact CG2-CD1 4.43Å; C370-L424 HydrophobicContact CB-CB 4.08Å; C370-L424 HydrophobicContact CB-CD1 4.17Å; I371-L424 HydrophobicContact CD1-CD2 4.43Å; I371-L424 HydrophobicContact CG1-CD1 4.33Å; I371-L424 HydrophobicContact CG1-CD2 3.73Å; I374-L424 HydrophobicContact CD1-CD2 4.47Å; F385-L424 HydrophobicContact CE1-CB 4.32Å; F385-L424 HydrophobicContact CE1-CD2 3.93Å; F385-L424 HydrophobicContact CZ-CD2 3.88Å; I420-L424 PolarHBondContact O-N 2.88Å; I420-L424 VanDerWaalsContact O-N 3.13Å; A421-L424 PolarHBondContact O-N 2.88Å; G422-L424 PolarHBondContact O-N 2.75Å; L424-Y427 PolarHBondContact O-N 2.95Å; L424-F428 HydrophobicContact CD1-CD2 4.33Å; L424-F428 HydrophobicContact CD1-CE2 3.67Å; L424-F428 HydrophobicContact CG-CD2 4.47Å; L424-F428 HydrophobicContact CG-CE2 4.1Å; L424-F428 VanDerWaalsContact O-CD2 3.24Å; L424-F428 WeakPolarHBondContact O-CD2 3.41Å; L424-F428 PolarHBondContact O-N 3.47Å; L424-F481 HydrophobicContact CD2-CE1 4.39Å; L424-F503 HydrophobicContact CD2-CZ 4.48Å
425K94.9Very high91.1Very high35 Ų3547.6 Ų47.615%0.15224%0.242CC..Hα-helixtrans-62.5-44.3174.9-72.7-176.1-64.6176.70111.7F385 A421 G422 Y427 F428 R429 F503F385-K425 HydrophobicContact CB-CD 4.35Å; F385-K425 HydrophobicContact CD1-CD 4.07Å; F385-K425 HydrophobicContact CD1-CG 3.9Å; F385-K425 HydrophobicContact CE1-CG 4.49Å; F385-K425 PolarHBondContact O-NZ 3.08Å; A421-K425 PolarHBondContact O-N 3.1Å; A421-K425 VanDerWaalsContact O-N 3.15Å; G422-K425 PolarHBondContact O-N 3.46Å; K425-Y427 VanDerWaalsContact C-N 3.31Å; K425-Y427 PolarHBondContact O-N 3.07Å; K425-F428 PolarHBondContact O-N 3.48Å; K425-R429 WeakPolarHBondContact O-CB 3.43Å; K425-R429 PolarHBondContact O-N 3.25Å; K425-F503 HydrophobicContact CG-CE1 4.1Å; K425-F503 HydrophobicContact CG-CE2 4.46Å; K425-F503 HydrophobicContact CG-CZ 4.06Å
426L92.6Very high91.5Very high54 Ų5445 Ų4528%0.28323%0.23SC..Hα-helixtrans-64.4-36.8-179.2-175.459000111.8V394 K398 G422 V423 R429 G430V394-L426 HydrophobicContact CG1-CD2 3.94Å; K398-L426 HydrophobicContact CD-CD2 3.58Å; K398-L426 HydrophobicContact CD-CG 4.19Å; G422-L426 VanDerWaalsContact O-CB 3.23Å; G422-L426 WeakPolarHBondContact O-CB 3.45Å; G422-L426 PolarHBondContact O-N 2.84Å; V423-L426 PolarHBondContact O-N 2.95Å; L426-R429 PolarHBondContact O-N 3.4Å; L426-G430 PolarHBondContact O-N 3Å
427Y93.7Very high91.5Very high64 Ų6443.8 Ų43.825%0.25123%0.225SC..Hα-helixtrans-57-52174.5178-95.6000111.4P364 V366 V367 V423 L424 K425 R429 G430 L431P364-Y427 HydrophobicContact CB-CE1 4.41Å; P364-Y427 WeakPolarHBondContact CB-OH 3.37Å; P364-Y427 HydrophobicContact CG-CE1 4.35Å; P364-Y427 WeakPolarHBondContact CG-OH 3.47Å; V366-Y427 HydrophobicContact CB-CD2 3.97Å; V366-Y427 HydrophobicContact CB-CE2 4.25Å; V366-Y427 HydrophobicContact CB-CG 4.43Å; V366-Y427 HydrophobicContact CG1-CD2 4.03Å; V366-Y427 HydrophobicContact CG1-CG 4.26Å; V366-Y427 HydrophobicContact CG2-CD2 4.21Å; V366-Y427 HydrophobicContact CG2-CE2 4.26Å; V367-Y427 HydrophobicContact CG2-CD1 3.41Å; V367-Y427 VanDerWaalsContact CG2-CD1 3.41Å; V367-Y427 HydrophobicContact CG2-CE1 3.23Å; V367-Y427 HydrophobicContact CG2-CG 4.34Å; V423-Y427 WeakPolarHBondContact O-CB 3.24Å; V423-Y427 PolarHBondContact O-N 3.44Å; L424-Y427 PolarHBondContact O-N 2.95Å; K425-Y427 VanDerWaalsContact C-N 3.31Å; K425-Y427 PolarHBondContact O-N 3.07Å; Y427-R429 PolarHBondContact O-N 2.71Å; Y427-G430 PolarHBondContact O-N 3.17Å; Y427-L431 HydrophobicContact CE1-CD2 3.84Å; Y427-L431 HydrophobicContact CE2-CD2 4.44Å; Y427-L431 WeakPolarHBondContact O-CG 3.21Å; Y427-L431 PolarHBondContact O-N 2.89Å
428F93.5Very high91.1Very high3 Ų348.3 Ų48.31%0.01324%0.244CC..Hα-helixtrans-66.8-37.6179.7-72.7-67.5000113.2V367 L424 K425 G430 L431 L435 I474 L478 F503 S506 L507V367-F428 HydrophobicContact CG1-CZ 3.99Å; V367-F428 HydrophobicContact CG2-CE1 4.39Å; V367-F428 HydrophobicContact CG2-CE2 4.39Å; V367-F428 HydrophobicContact CG2-CZ 3.86Å; L424-F428 HydrophobicContact CD1-CD2 4.33Å; L424-F428 HydrophobicContact CD1-CE2 3.67Å; L424-F428 HydrophobicContact CG-CD2 4.47Å; L424-F428 HydrophobicContact CG-CE2 4.1Å; L424-F428 VanDerWaalsContact O-CD2 3.24Å; L424-F428 WeakPolarHBondContact O-CD2 3.41Å; L424-F428 PolarHBondContact O-N 3.47Å; K425-F428 PolarHBondContact O-N 3.48Å; F428-G430 VanDerWaalsContact C-N 3.27Å; F428-G430 PolarHBondContact O-N 3.5Å; F428-L431 HydrophobicContact CD1-CD1 3.93Å; F428-L435 HydrophobicContact CD1-CD2 4.19Å; F428-L435 HydrophobicContact CE1-CD1 4.31Å; F428-L435 HydrophobicContact CE1-CD2 4.1Å; F428-I474 HydrophobicContact CE1-CG2 3.72Å; F428-I474 HydrophobicContact CZ-CG2 4.1Å; F428-L478 HydrophobicContact CD2-CD2 4.27Å; F428-L478 HydrophobicContact CE1-CD2 4.19Å; F428-L478 HydrophobicContact CE2-CD1 3.8Å; F428-L478 HydrophobicContact CE2-CD2 3.79Å; F428-L478 HydrophobicContact CE2-CG 4.33Å; F428-L478 HydrophobicContact CZ-CB 4.39Å; F428-L478 HydrophobicContact CZ-CD1 4.16Å; F428-L478 HydrophobicContact CZ-CD2 3.75Å; F428-L478 HydrophobicContact CZ-CG 4.32Å; F428-F503 HydrophobicContact CD2-CE1 4.46Å; F428-S506 CarbonylContact C-O 3.55Å; F428-L507 HydrophobicContact CB-CD2 3.81Å; F428-L507 HydrophobicContact CD1-CD2 4.07Å; F428-L507 HydrophobicContact CD2-CD2 4.3Å; F428-L507 HydrophobicContact CG-CD2 3.81Å
429R91.9Very high90.8Very high188 Ų18854.6 Ų54.671%0.70928%0.278SS*.Hα-helixtrans-65-31.4176-175.7177.2176.3-179.9-1.1112.6K425 L426 Y427 S506K425-R429 WeakPolarHBondContact O-CB 3.43Å; K425-R429 PolarHBondContact O-N 3.25Å; L426-R429 PolarHBondContact O-N 3.4Å; Y427-R429 PolarHBondContact O-N 2.71Å; R429-S506 WeakPolarHBondContact CA-O 3.31Å; R429-S506 PolarHBondContact N-O 2.94Å
430G85.1Confident90.6Very high63 Ų6355.4 Ų55.465%0.64928%0.282SS*.THydrogen-bonded Turntrans-92.25-176.600000115.5L426 Y427 F428 E432L426-G430 PolarHBondContact O-N 3Å; Y427-G430 PolarHBondContact O-N 3.17Å; F428-G430 VanDerWaalsContact C-N 3.27Å; F428-G430 PolarHBondContact O-N 3.5Å; G430-E432 PolarHBondContact O-N 3.11Å
431L86.4Confident90.4Very high46 Ų4655.5 Ų55.524%0.24128%0.283CS..  trans-66.2130.7177.7-68.7175.1000111.1Y427 F428 H433Y427-L431 HydrophobicContact CE1-CD2 3.84Å; Y427-L431 HydrophobicContact CE2-CD2 4.44Å; Y427-L431 WeakPolarHBondContact O-CG 3.21Å; Y427-L431 PolarHBondContact O-N 2.89Å; F428-L431 HydrophobicContact CD1-CD1 3.93Å; L431-H433 WeakPolarHBondContact CB-O 3.23Å; L431-H433 PolarHBondContact O-N 2.94Å
432E80.9Confident90.1Very high178 Ų17860.5 Ų60.583%0.83231%0.306SS*.SBendtrans-56-36.1173.4-174.5-178.1-17300111.6G430G430-E432 PolarHBondContact O-N 3.11Å
433H82.1Confident89.9Confident144 Ų14464.4 Ų64.467%0.66732%0.323SS*.SBendtrans-114.5104.7171.1-59.481.2000107.9L431L431-H433 WeakPolarHBondContact CB-O 3.23Å; L431-H433 PolarHBondContact O-N 2.94Å
434P86.4Confident89.7Confident47 Ų4764.2 Ų64.231%0.30532%0.322SS..  trans-53.7148.1-179.9-26.834.1000111.7F436P434-F436 PolarHBondContact O-N 2.86Å
435L89.3Confident89.4Confident5 Ų565.5 Ų65.53%0.02633%0.329CS..SBendtrans-56.1-39.5-179.3-160.970.2000110.4F428 P437 T471 I474 M475 L478 L507F428-L435 HydrophobicContact CD1-CD2 4.19Å; F428-L435 HydrophobicContact CE1-CD1 4.31Å; F428-L435 HydrophobicContact CE1-CD2 4.1Å; L435-P437 WeakPolarHBondContact O-CD 3.45Å; L435-T471 HydrophobicContact CD1-CG2 3.98Å; L435-I474 HydrophobicContact CD1-CB 4.31Å; L435-I474 HydrophobicContact CD1-CG2 3.92Å; L435-M475 HydrophobicContact CD1-CG 3.97Å; L435-M475 HydrophobicContact CD2-CE 4.48Å; L435-M475 HydrophobicContact CD2-CG 3.7Å; L435-M475 HydrophobicContact CG-CE 3.79Å; L435-M475 HydrophobicContact CG-CG 3.67Å; L435-M475 WeakPolarHBondContact O-CE 3.5Å; L435-L478 HydrophobicContact CD2-CD2 4.07Å; L435-L507 HydrophobicContact CB-CD2 4.39Å; L435-L507 HydrophobicContact CD2-CD2 3.81Å
436F92.3Very high89.1Confident4 Ų466.7 Ų66.72%0.01835%0.345CS..SBendtrans-105.3103.2167.8-62.9-94.6000110.7P434 L444 L464 M475 F479 L507 M508 I527 I530P434-F436 PolarHBondContact O-N 2.86Å; F436-L444 HydrophobicContact CD1-CD1 3.66Å; F436-L444 HydrophobicContact CE1-CD1 4.27Å; F436-L464 HydrophobicContact CD1-CD2 4.05Å; F436-L464 HydrophobicContact CE1-CD2 3.8Å; F436-M475 HydrophobicContact CD1-CE 3.91Å; F436-M475 HydrophobicContact CD2-CE 4.22Å; F436-M475 HydrophobicContact CE1-CE 3.86Å; F436-M475 HydrophobicContact CE2-CE 4.16Å; F436-M475 HydrophobicContact CG-CE 4.11Å; F436-M475 HydrophobicContact CZ-CE 3.99Å; F436-F479 HydrophobicContact CE2-CE2 4.04Å; F436-F479 HydrophobicContact CE2-CZ 4.01Å; F436-F479 AromaticContact CZ-CE2 3.77Å; F436-F479 HydrophobicContact CZ-CE2 3.77Å; F436-F479 AromaticContact CZ-CZ 3.82Å; F436-F479 HydrophobicContact CZ-CZ 3.82Å; F436-L507 HydrophobicContact CD2-CB 3.91Å; F436-L507 WeakPolarHBondContact CD2-O 3.47Å; F436-L507 HydrophobicContact CE2-CB 3.97Å; F436-L507 HydrophobicContact CE2-CD1 4.32Å; F436-L507 PolarHBondContact N-O 2.99Å; F436-M508 HydrophobicContact CB-CB 4.11Å; F436-M508 HydrophobicContact CB-CE 3.5Å; F436-M508 HydrophobicContact CB-CG 4.21Å; F436-M508 HydrophobicContact CD1-CE 3.57Å; F436-M508 HydrophobicContact CD2-CB 4.45Å; F436-M508 HydrophobicContact CD2-CE 4.44Å; F436-M508 HydrophobicContact CE1-CE 4.38Å; F436-M508 HydrophobicContact CG-CB 4.45Å; F436-M508 HydrophobicContact CG-CE 3.59Å; F436-I527 HydrophobicContact CE2-CD1 3.86Å; F436-I527 HydrophobicContact CZ-CD1 4Å; F436-I530 HydrophobicContact CE1-CD1 3.75Å; F436-I530 HydrophobicContact CZ-CD1 3.73Å
437P89.7Confident89Confident38 Ų3864.5 Ų64.525%0.24733%0.334CS..  trans-60148.4177.2-2535.1000112.7L435 D439 I440 L467L435-P437 WeakPolarHBondContact O-CD 3.45Å; P437-D439 PolarHBondContact O-N 2.83Å; P437-I440 VanDerWaalsContact O-CG1 3.25Å; P437-I440 WeakPolarHBondContact O-CG1 3.32Å; P437-I440 PolarHBondContact O-N 3.29Å; P437-L467 HydrophobicContact CG-CD2 3.71Å
438K86.5Confident88.7Confident111 Ų11162.1 Ų62.148%0.48333%0.327SS..G310 helixtrans-59.5-29.3179.1-64.7-177.2-179.8-179.10112.6I440 F441K438-I440 VanDerWaalsContact C-N 3.26Å; K438-I440 PolarHBondContact O-N 3.16Å; K438-F441 WeakPolarHBondContact O-CB 3.43Å; K438-F441 PolarHBondContact O-N 3.34Å; K438-F441 VanDerWaalsContact O-N 3.12Å
439D88.3Confident88.3Confident149 Ų14967 Ų6780%0.79736%0.356SS*.G310 helixtrans-64-28-176.5-56.6-27.5000113.5P437P437-D439 PolarHBondContact O-N 2.83Å
440I91Very high88.1Confident16 Ų1660.2 Ų60.28%0.08233%0.334CS..G310 helixtrans-99.12.5179.163166.7000112.9P437 K438 H442 D443 L444 V463 L464 L467P437-I440 VanDerWaalsContact O-CG1 3.25Å; P437-I440 WeakPolarHBondContact O-CG1 3.32Å; P437-I440 PolarHBondContact O-N 3.29Å; K438-I440 VanDerWaalsContact C-N 3.26Å; K438-I440 PolarHBondContact O-N 3.16Å; I440-H442 PolarHBondContact O-N 3.17Å; I440-D443 PolarHBondContact O-N 2.9Å; I440-L444 HydrophobicContact CD1-CD1 3.66Å; I440-L444 HydrophobicContact CD1-CG 4.39Å; I440-L444 HydrophobicContact CG1-CD1 3.9Å; I440-L444 WeakPolarHBondContact O-CB 3.34Å; I440-L444 WeakPolarHBondContact O-CG 3.32Å; I440-L444 PolarHBondContact O-N 2.79Å; I440-V463 HydrophobicContact CB-CG1 3.97Å; I440-V463 HydrophobicContact CD1-CG1 4.48Å; I440-V463 HydrophobicContact CG2-CG1 4.33Å; I440-L464 HydrophobicContact CD1-CD2 4.09Å; I440-L467 HydrophobicContact CD1-CD1 3.91Å; I440-L467 HydrophobicContact CD1-CD2 3.93Å; I440-L467 HydrophobicContact CD1-CG 4.14Å
441F90.4Very high88Confident3 Ų365 Ų651%0.01334%0.344CS..Hα-helixtrans-58.6-49.7-175.2-178.5-94.6000111.7K438 D443 L444 I445 M508 V510 P511 C519 V523K438-F441 WeakPolarHBondContact O-CB 3.43Å; K438-F441 PolarHBondContact O-N 3.34Å; K438-F441 VanDerWaalsContact O-N 3.12Å; F441-D443 PolarHBondContact O-N 3.16Å; F441-L444 PolarHBondContact O-N 3.18Å; F441-I445 HydrophobicContact CD1-CG1 4.07Å; F441-I445 HydrophobicContact CD2-CG1 4.39Å; F441-I445 HydrophobicContact CE1-CG1 3.73Å; F441-I445 HydrophobicContact CE2-CD1 4.21Å; F441-I445 HydrophobicContact CE2-CG1 4.07Å; F441-I445 HydrophobicContact CG-CG1 4.39Å; F441-I445 HydrophobicContact CZ-CD1 4.07Å; F441-I445 HydrophobicContact CZ-CG1 3.72Å; F441-I445 VanDerWaalsContact O-CG1 3.31Å; F441-I445 WeakPolarHBondContact O-CG1 3.28Å; F441-I445 PolarHBondContact O-N 3.1Å; F441-M508 HydrophobicContact CD2-CG 3.76Å; F441-M508 HydrophobicContact CD2-SD 3.55Å; F441-M508 VanDerWaalsContact CD2-SD 3.55Å; F441-M508 HydrophobicContact CE2-CG 3.95Å; F441-M508 HydrophobicContact CE2-SD 3.69Å; F441-V510 HydrophobicContact CZ-CB 4.47Å; F441-V510 HydrophobicContact CZ-CG1 4.22Å; F441-V510 HydrophobicContact CZ-CG2 4.34Å; F441-P511 HydrophobicContact CB-CG 4.09Å; F441-P511 HydrophobicContact CD1-CG 3.72Å; F441-P511 HydrophobicContact CD2-CG 4.3Å; F441-P511 HydrophobicContact CE1-CG 4.21Å; F441-P511 HydrophobicContact CG-CG 3.77Å; F441-C519 HydrophobicContact CZ-CB 4.42Å; F441-V523 HydrophobicContact CE2-CG2 3.88Å; F441-V523 HydrophobicContact CZ-CG2 4.28Å
442H89.6Confident88.2Confident104 Ų10466.3 Ų66.348%0.48135%0.351SS..Hα-helixtrans-62.2-42.8-178.7-70.2-66.8000112.8I440 L444 I445 A446 H514I440-H442 PolarHBondContact O-N 3.17Å; H442-L444 VanDerWaalsContact C-N 3.32Å; H442-L444 PolarHBondContact O-N 2.79Å; H442-I445 PolarHBondContact O-N 3.02Å; H442-A446 WeakPolarHBondContact O-CB 3.22Å; H442-A446 PolarHBondContact O-N 2.79Å; H442-H514 AromaticContact CE1-CE1 3.55Å; H442-H514 AromaticContact CE1-NE2 3.29Å; H442-H514 PolarHBondContact CE1-NE2 3.42Å; H442-H514 VanDerWaalsContact CE1-NE2 3.29Å
443D91.1Very high88.5Confident96 Ų9660.6 Ų60.651%0.51333%0.326SS..Hα-helixtrans-65.1-37.5179-67.1-25.2000111.5I440 F441 C447 V463I440-D443 PolarHBondContact O-N 2.9Å; F441-D443 PolarHBondContact O-N 3.16Å; D443-C447 PolarHBondContact O-SG 2.89Å; D443-V463 HydrophobicContact CB-CG1 3.91Å; D443-V463 HydrophobicContact CB-CG2 3.96Å
444L91.8Very high88.8Confident0 Ų058 Ų580%031%0.314CS..Hα-helixtrans-72.3-42.9177.3-71.9176.5000112.8F436 I440 F441 H442 A446 C447 I460 V463 L464 M508 L526F436-L444 HydrophobicContact CD1-CD1 3.66Å; F436-L444 HydrophobicContact CE1-CD1 4.27Å; I440-L444 HydrophobicContact CD1-CD1 3.66Å; I440-L444 HydrophobicContact CD1-CG 4.39Å; I440-L444 HydrophobicContact CG1-CD1 3.9Å; I440-L444 WeakPolarHBondContact O-CB 3.34Å; I440-L444 WeakPolarHBondContact O-CG 3.32Å; I440-L444 PolarHBondContact O-N 2.79Å; F441-L444 PolarHBondContact O-N 3.18Å; H442-L444 VanDerWaalsContact C-N 3.32Å; H442-L444 PolarHBondContact O-N 2.79Å; L444-A446 VanDerWaalsContact C-N 3.31Å; L444-A446 PolarHBondContact O-N 3.46Å; L444-C447 WeakPolarHBondContact O-CB 3.44Å; L444-C447 PolarHBondContact O-N 2.93Å; L444-I460 HydrophobicContact CD2-CG2 4.21Å; L444-V463 HydrophobicContact CD2-CB 3.93Å; L444-V463 HydrophobicContact CD2-CG1 3.7Å; L444-V463 HydrophobicContact CG-CG1 3.82Å; L444-L464 HydrophobicContact CD1-CD2 4.29Å; L444-L464 HydrophobicContact CD2-CD2 4.18Å; L444-L464 HydrophobicContact CD2-CG 4.46Å; L444-M508 HydrophobicContact CB-CE 4.39Å; L444-M508 HydrophobicContact CD1-CE 3.41Å; L444-M508 VanDerWaalsContact CD1-CE 3.41Å; L444-L526 HydrophobicContact CB-CD1 4.42Å; L444-L526 HydrophobicContact CB-CD2 3.73Å; L444-L526 HydrophobicContact CD1-CD2 4.26Å; L444-L526 HydrophobicContact CG-CD2 4.45Å
445I89.9Confident88.9Confident27 Ų2760.6 Ų60.614%0.13832%0.323CS..Hα-helixtrans-66.2-35.4177.3-63.6-59.9000111F441 H442 C447 V448 H522 V523F441-I445 HydrophobicContact CD1-CG1 4.07Å; F441-I445 HydrophobicContact CD2-CG1 4.39Å; F441-I445 HydrophobicContact CE1-CG1 3.73Å; F441-I445 HydrophobicContact CE2-CD1 4.21Å; F441-I445 HydrophobicContact CE2-CG1 4.07Å; F441-I445 HydrophobicContact CG-CG1 4.39Å; F441-I445 HydrophobicContact CZ-CD1 4.07Å; F441-I445 HydrophobicContact CZ-CG1 3.72Å; F441-I445 VanDerWaalsContact O-CG1 3.31Å; F441-I445 WeakPolarHBondContact O-CG1 3.28Å; F441-I445 PolarHBondContact O-N 3.1Å; H442-I445 PolarHBondContact O-N 3.02Å; I445-C447 PolarHBondContact O-N 3.36Å; I445-V448 WeakPolarHBondContact O-CB 3.22Å; I445-V448 PolarHBondContact O-N 3.31Å; I445-H522 HydrophobicContact CD1-CB 3.88Å; I445-H522 HydrophobicContact CG2-CB 4.12Å; I445-V523 HydrophobicContact CD1-CG2 3.95Å
446A88.9Confident89.1Confident61 Ų6161.4 Ų61.450%0.50433%0.325SS..Hα-helixtrans-60.3-28.1174.600000113H442 L444 V448 T449H442-A446 WeakPolarHBondContact O-CB 3.22Å; H442-A446 PolarHBondContact O-N 2.79Å; L444-A446 VanDerWaalsContact C-N 3.31Å; L444-A446 PolarHBondContact O-N 3.46Å; A446-V448 VanDerWaalsContact C-N 3.31Å; A446-V448 PolarHBondContact O-N 2.89Å; A446-T449 PolarHBondContact O-OG1 2.89Å
447C90Very high89.1Confident8 Ų861.2 Ų61.25%0.05433%0.325CS..Hα-helixtrans-69.4-28.4176.1-61.90000112.4D443 L444 I445 T449 M450 R456 I460D443-C447 PolarHBondContact O-SG 2.89Å; L444-C447 WeakPolarHBondContact O-CB 3.44Å; L444-C447 PolarHBondContact O-N 2.93Å; I445-C447 PolarHBondContact O-N 3.36Å; C447-T449 PolarHBondContact O-N 3.33Å; C447-M450 WeakPolarHBondContact O-CB 3.5Å; C447-M450 WeakPolarHBondContact O-CG 3.49Å; C447-M450 PolarHBondContact O-N 2.91Å; C447-R456 HydrophobicContact CB-CG 4.34Å; C447-R456 WeakPolarHBondContact O-CG 3.37Å; C447-I460 HydrophobicContact CB-CG1 3.93Å
448V88.2Confident89.2Confident14 Ų1464 Ų649%0.08534%0.341CS..Hα-helixtrans-66.1-24.6-174.5-179.20000112.3I445 A446 M450 R456 H522 E525 L526I445-V448 WeakPolarHBondContact O-CB 3.22Å; I445-V448 PolarHBondContact O-N 3.31Å; A446-V448 VanDerWaalsContact C-N 3.31Å; A446-V448 PolarHBondContact O-N 2.89Å; V448-M450 PolarHBondContact O-N 3.01Å; V448-R456 PolarHBondContact O-NH2 3.04Å; V448-H522 HydrophobicContact CG1-CB 4.43Å; V448-E525 HydrophobicContact CG1-CB 3.91Å; V448-E525 HydrophobicContact CG1-CG 3.76Å; V448-L526 HydrophobicContact CG2-CB 3.77Å; V448-L526 HydrophobicContact CG2-CD1 4.27Å
449T84.6Confident89.5Confident104 Ų10462.9 Ų62.964%0.63834%0.337SS*.THydrogen-bonded Turntrans-76.9-5.1179.5640000113.8A446 C447A446-T449 PolarHBondContact O-OG1 2.89Å; C447-T449 PolarHBondContact O-N 3.33Å
450M87.7Confident89.8Confident47 Ų4755.8 Ų55.823%0.23230%0.299CS..  trans-82.9125.5178.9-58.4-179.173.700111.3C447 V448 N452 E455 R456 H459C447-M450 WeakPolarHBondContact O-CB 3.5Å; C447-M450 WeakPolarHBondContact O-CG 3.49Å; C447-M450 PolarHBondContact O-N 2.91Å; V448-M450 PolarHBondContact O-N 3.01Å; M450-N452 PolarHBondContact O-N 3.35Å; M450-E455 HydrophobicContact CE-CB 3.89Å; M450-R456 HydrophobicContact CB-CB 4.41Å; M450-R456 VanDerWaalsContact O-CZ 3.26Å; M450-R456 PolarHBondContact O-NE 2.79Å; M450-R456 PolarHBondContact O-NH2 2.82Å; M450-H459 HydrophobicContact SD-CB 4.26Å
451D83.3Confident89.9Confident164 Ų16459 Ų5988%0.87731%0.31SS*.SBendtrans-69.1-31.6-176.9-63.2-43.3000114.2L453D451-L453 PolarHBondContact O-N 3.06Å
452N89.4Confident90Very high72 Ų7266.2 Ų66.239%0.38534%0.342SS..  trans-85.3113.4-177.7-175.4-12.8000111.6M450 Q454 E455 R456M450-N452 PolarHBondContact O-N 3.35Å; N452-Q454 VanDerWaalsContact C-N 3.28Å; N452-Q454 PolarHBondContact O-N 3.35Å; N452-Q454 PolarHBondContact OD1-N 2.9Å; N452-E455 HydrophobicContact CB-CB 4.11Å; N452-E455 HydrophobicContact CB-CG 4.21Å; N452-E455 PolarHBondContact ND2-OE1 3.33Å; N452-E455 PolarHBondContact O-N 3.19Å; N452-R456 WeakPolarHBondContact O-CB 3.39Å; N452-R456 PolarHBondContact O-N 3.48Å
453L87.9Confident90.2Very high58 Ų5862.3 Ų62.330%0.30433%0.325SS..Hα-helixtrans-58.1-35.9-179-168.171.2000113.4D451 A457 T529 I532 Q533D451-L453 PolarHBondContact O-N 3.06Å; L453-A457 WeakPolarHBondContact O-CB 3.2Å; L453-A457 PolarHBondContact O-N 2.88Å; L453-T529 HydrophobicContact CD1-CG2 3.81Å; L453-I532 HydrophobicContact CD2-CG2 4.31Å; L453-Q533 HydrophobicContact CD2-CG 4.03Å; L453-Q533 HydrophobicContact CG-CG 3.96Å
454Q88.4Confident90.3Very high89 Ų8957.9 Ų57.942%0.41630%0.301SS..Hα-helixtrans-72.9-43.3-179.5-67.4-59.5-32.100111.7N452 R456 A457 V458 N536N452-Q454 VanDerWaalsContact C-N 3.28Å; N452-Q454 PolarHBondContact O-N 3.35Å; N452-Q454 PolarHBondContact OD1-N 2.9Å; Q454-R456 VanDerWaalsContact C-N 3.32Å; Q454-R456 PolarHBondContact O-N 3.24Å; Q454-A457 PolarHBondContact O-N 3.45Å; Q454-V458 WeakPolarHBondContact O-CG2 3.18Å; Q454-V458 PolarHBondContact O-N 3.49Å; Q454-V458 VanDerWaalsContact O-N 3.11Å; Q454-N536 PolarHBondContact OE1-ND2 3.27Å
455E89.4Confident90.3Very high103 Ų10362 Ų6248%0.48132%0.323SS..Hα-helixtrans-65.9-38174.8-71.7173.4-150.400111.6M450 N452 V458 H459M450-E455 HydrophobicContact CE-CB 3.89Å; N452-E455 HydrophobicContact CB-CB 4.11Å; N452-E455 HydrophobicContact CB-CG 4.21Å; N452-E455 PolarHBondContact ND2-OE1 3.33Å; N452-E455 PolarHBondContact O-N 3.19Å; E455-V458 PolarHBondContact O-N 2.82Å; E455-H459 PolarHBondContact O-N 3.02Å; E455-H459 VanDerWaalsContact O-N 3.08Å; E455-H459 PolarHBondContact O-ND1 2.93Å
456R92.8Very high90.3Very high21 Ų2166.4 Ų66.48%0.07935%0.351CS..Hα-helixtrans-58.4-47.2173-171.6-175.6-58.4177.70.9111.1C447 V448 M450 N452 Q454 V458 H459 I460 E525 T529C447-R456 HydrophobicContact CB-CG 4.34Å; C447-R456 WeakPolarHBondContact O-CG 3.37Å; V448-R456 PolarHBondContact O-NH2 3.04Å; M450-R456 HydrophobicContact CB-CB 4.41Å; M450-R456 VanDerWaalsContact O-CZ 3.26Å; M450-R456 PolarHBondContact O-NE 2.79Å; M450-R456 PolarHBondContact O-NH2 2.82Å; N452-R456 WeakPolarHBondContact O-CB 3.39Å; N452-R456 PolarHBondContact O-N 3.48Å; Q454-R456 VanDerWaalsContact C-N 3.32Å; Q454-R456 PolarHBondContact O-N 3.24Å; R456-V458 PolarHBondContact O-N 3.25Å; R456-H459 PolarHBondContact O-N 2.85Å; R456-I460 HydrophobicContact CG-CD1 3.9Å; R456-I460 VanDerWaalsContact O-CG1 3.28Å; R456-I460 WeakPolarHBondContact O-CG1 3.43Å; R456-I460 PolarHBondContact O-N 3.41Å; R456-E525 IonicContact NH1-OE1 2.75Å; R456-E525 PolarHBondContact NH1-OE1 3.39Å; R456-E525 VanDerWaalsContact NH1-OE1 3.14Å; R456-T529 HydrophobicContact CG-CG2 4.17Å; R456-T529 PolarHBondContact NH1-OG1 2.97Å
457A91.8Very high90.4Very high1 Ų164.3 Ų64.31%0.00833%0.331CS..Hα-helixtrans-60-41.517700000112.7L453 Q454 H459 I460 R461 Q533 I537L453-A457 WeakPolarHBondContact O-CB 3.2Å; L453-A457 PolarHBondContact O-N 2.88Å; Q454-A457 PolarHBondContact O-N 3.45Å; A457-H459 PolarHBondContact O-N 3.41Å; A457-I460 PolarHBondContact O-N 2.91Å; A457-R461 WeakPolarHBondContact O-CB 3.5Å; A457-R461 PolarHBondContact O-N 3.28Å; A457-Q533 HydrophobicContact CB-CB 3.85Å; A457-Q533 HydrophobicContact CB-CG 4.14Å; A457-I537 HydrophobicContact CB-CD1 4.18Å; A457-I537 HydrophobicContact CB-CG1 3.83Å
458V91.9Very high90.4Very high97 Ų9767.8 Ų67.859%0.58835%0.353SS*.Hα-helixtrans-63.6-40.5176.7173.30000111.9Q454 E455 R456 R461 K462Q454-V458 WeakPolarHBondContact O-CG2 3.18Å; Q454-V458 PolarHBondContact O-N 3.49Å; Q454-V458 VanDerWaalsContact O-N 3.11Å; E455-V458 PolarHBondContact O-N 2.82Å; R456-V458 PolarHBondContact O-N 3.25Å; V458-R461 PolarHBondContact O-N 3.21Å; V458-K462 PolarHBondContact O-N 3.39Å; V458-K462 VanDerWaalsContact O-N 3.1Å
459H92.4Very high90.5Very high86 Ų8674.2 Ų74.240%0.39838%0.38SS..Hα-helixtrans-69.4-43.6177-74.877.3000111.8M450 E455 R456 A457 R461 K462 V463M450-H459 HydrophobicContact SD-CB 4.26Å; E455-H459 PolarHBondContact O-N 3.02Å; E455-H459 VanDerWaalsContact O-N 3.08Å; E455-H459 PolarHBondContact O-ND1 2.93Å; R456-H459 PolarHBondContact O-N 2.85Å; A457-H459 PolarHBondContact O-N 3.41Å; H459-R461 VanDerWaalsContact C-N 3.31Å; H459-R461 PolarHBondContact O-N 3.41Å; H459-K462 WeakPolarHBondContact O-CB 3.35Å; H459-K462 PolarHBondContact O-N 2.9Å; H459-K462 VanDerWaalsContact O-N 3.11Å; H459-V463 WeakPolarHBondContact O-CG2 3.44Å; H459-V463 PolarHBondContact O-N 3.02Å; H459-V463 VanDerWaalsContact O-N 3.07Å
460I94.5Very high90.7Very high0 Ų073 Ų730%037%0.374CS..Hα-helixtrans-57.8-45.4173.9-67.2165.8000110.2L444 C447 R456 A457 K462 V463 L464 L526 T529 I530 I537L444-I460 HydrophobicContact CD2-CG2 4.21Å; C447-I460 HydrophobicContact CB-CG1 3.93Å; R456-I460 HydrophobicContact CG-CD1 3.9Å; R456-I460 VanDerWaalsContact O-CG1 3.28Å; R456-I460 WeakPolarHBondContact O-CG1 3.43Å; R456-I460 PolarHBondContact O-N 3.41Å; A457-I460 PolarHBondContact O-N 2.91Å; I460-K462 VanDerWaalsContact C-N 3.31Å; I460-K462 PolarHBondContact O-N 3.46Å; I460-V463 PolarHBondContact O-N 3.04Å; I460-V463 VanDerWaalsContact O-N 3.17Å; I460-L464 HydrophobicContact CG2-CD1 3.73Å; I460-L464 HydrophobicContact CG2-CG 4.06Å; I460-L464 WeakPolarHBondContact O-CG 3.26Å; I460-L464 PolarHBondContact O-N 3.03Å; I460-L526 HydrophobicContact CD1-CD1 3.6Å; I460-L526 HydrophobicContact CG1-CD1 3.92Å; I460-T529 HydrophobicContact CD1-CG2 3.72Å; I460-I530 HydrophobicContact CG2-CD1 4.26Å; I460-I530 HydrophobicContact CG2-CG1 4.08Å; I460-I537 HydrophobicContact CB-CD1 4.49Å; I460-I537 HydrophobicContact CG2-CD1 4.21Å; I460-I537 HydrophobicContact CG2-CG1 4.43Å; I460-I537 HydrophobicContact CG2-CG2 3.92Å
461R94.3Very high90.8Very high83 Ų8372.4 Ų72.431%0.31337%0.373SS..Hα-helixtrans-54.2-47.4174.5178.6164-175.4-122.57.7111.6A457 V458 H459 V463 L464 L465 N536 I537 E543A457-R461 WeakPolarHBondContact O-CB 3.5Å; A457-R461 PolarHBondContact O-N 3.28Å; V458-R461 PolarHBondContact O-N 3.21Å; H459-R461 VanDerWaalsContact C-N 3.31Å; H459-R461 PolarHBondContact O-N 3.41Å; R461-V463 VanDerWaalsContact C-N 3.31Å; R461-V463 PolarHBondContact O-N 2.66Å; R461-L464 PolarHBondContact O-N 2.75Å; R461-L465 HydrophobicContact CG-CD1 3.94Å; R461-L465 HydrophobicContact CG-CG 4.25Å; R461-L465 WeakPolarHBondContact O-CB 3.47Å; R461-L465 WeakPolarHBondContact O-CG 3.2Å; R461-L465 PolarHBondContact O-N 2.95Å; R461-N536 WeakPolarHBondContact CD-O 3.4Å; R461-I537 WeakPolarHBondContact CB-O 3.47Å; R461-I537 WeakPolarHBondContact CD-O 3.35Å; R461-I537 WeakPolarHBondContact CG-O 3.3Å; R461-E543 IonicContact NH2-OE1 3.14Å; R461-E543 IonicContact NH2-OE2 3.31Å; R461-E543 PolarHBondContact NH2-OE2 3.1Å
462K93.1Very high91.3Very high156 Ų15665 Ų6568%0.67833%0.333SS*.Hα-helixtrans-60-40.4179.7-172.6-178.4177.2-174.40112.3V458 H459 I460V458-K462 PolarHBondContact O-N 3.39Å; V458-K462 VanDerWaalsContact O-N 3.1Å; H459-K462 WeakPolarHBondContact O-CB 3.35Å; H459-K462 PolarHBondContact O-N 2.9Å; H459-K462 VanDerWaalsContact O-N 3.11Å; I460-K462 VanDerWaalsContact C-N 3.31Å; I460-K462 PolarHBondContact O-N 3.46Å
463V93.6Very high91.4Very high22 Ų2262.3 Ų62.313%0.13332%0.319CS..Hα-helixtrans-70.7-44.5178.1179.60000111.1I440 D443 L444 H459 I460 R461 L465 V466I440-V463 HydrophobicContact CB-CG1 3.97Å; I440-V463 HydrophobicContact CD1-CG1 4.48Å; I440-V463 HydrophobicContact CG2-CG1 4.33Å; D443-V463 HydrophobicContact CB-CG1 3.91Å; D443-V463 HydrophobicContact CB-CG2 3.96Å; L444-V463 HydrophobicContact CD2-CB 3.93Å; L444-V463 HydrophobicContact CD2-CG1 3.7Å; L444-V463 HydrophobicContact CG-CG1 3.82Å; H459-V463 WeakPolarHBondContact O-CG2 3.44Å; H459-V463 PolarHBondContact O-N 3.02Å; H459-V463 VanDerWaalsContact O-N 3.07Å; I460-V463 PolarHBondContact O-N 3.04Å; I460-V463 VanDerWaalsContact O-N 3.17Å; R461-V463 VanDerWaalsContact C-N 3.31Å; R461-V463 PolarHBondContact O-N 2.66Å; V463-L465 PolarHBondContact O-N 3.34Å; V463-V466 PolarHBondContact O-N 3.06Å
464L93.1Very high91.6Very high2 Ų260.8 Ų60.81%0.0131%0.311CS..Hα-helixtrans-69.3-29.3-178.5-65.4-177.6000113.3F436 I440 L444 I460 R461 V466 L467 L472 M475 I537 F538F436-L464 HydrophobicContact CD1-CD2 4.05Å; F436-L464 HydrophobicContact CE1-CD2 3.8Å; I440-L464 HydrophobicContact CD1-CD2 4.09Å; L444-L464 HydrophobicContact CD1-CD2 4.29Å; L444-L464 HydrophobicContact CD2-CD2 4.18Å; L444-L464 HydrophobicContact CD2-CG 4.46Å; I460-L464 HydrophobicContact CG2-CD1 3.73Å; I460-L464 HydrophobicContact CG2-CG 4.06Å; I460-L464 WeakPolarHBondContact O-CG 3.26Å; I460-L464 PolarHBondContact O-N 3.03Å; R461-L464 PolarHBondContact O-N 2.75Å; L464-V466 PolarHBondContact O-N 3.46Å; L464-L467 HydrophobicContact CD2-CD1 3.84Å; L464-L467 VanDerWaalsContact O-CB 3.24Å; L464-L467 WeakPolarHBondContact O-CB 3.08Å; L464-L467 WeakPolarHBondContact O-CG 3.39Å; L464-L467 PolarHBondContact O-N 2.96Å; L464-L472 HydrophobicContact CB-CD2 4.19Å; L464-L472 WeakPolarHBondContact O-CD2 3.47Å; L464-M475 HydrophobicContact CD1-SD 4.46Å; L464-M475 HydrophobicContact CD2-CE 4.33Å; L464-M475 HydrophobicContact CD2-SD 4.33Å; L464-I537 HydrophobicContact CD1-CG2 3.7Å; L464-F538 HydrophobicContact CD1-CE1 3.83Å; L464-F538 HydrophobicContact CD1-CZ 4.09Å
465L90.8Very high91.9Very high88 Ų8856.5 Ų56.546%0.46129%0.291SS..THydrogen-bonded Turntrans-61.9-13.1177.6-78.3173000114.3R461 V463 L467 P539R461-L465 HydrophobicContact CG-CD1 3.94Å; R461-L465 HydrophobicContact CG-CG 4.25Å; R461-L465 WeakPolarHBondContact O-CB 3.47Å; R461-L465 WeakPolarHBondContact O-CG 3.2Å; R461-L465 PolarHBondContact O-N 2.95Å; V463-L465 PolarHBondContact O-N 3.34Å; L465-L467 VanDerWaalsContact C-N 3.27Å; L465-P539 HydrophobicContact CD2-CG 3.83Å
466V91Very high92.1Very high119 Ų11952.4 Ų52.472%0.72127%0.271SS*.THydrogen-bonded Turntrans-74.5-19.9172.7-175.70000111.7V463 L464V463-V466 PolarHBondContact O-N 3.06Å; L464-V466 PolarHBondContact O-N 3.46Å
467L90.6Very high92.1Very high16 Ų1652.4 Ų52.48%0.08427%0.271CS..SBendtrans-74.3154.8-177.3-62.7179000113P437 I440 L464 L465 T471 L472 M475P437-L467 HydrophobicContact CG-CD2 3.71Å; I440-L467 HydrophobicContact CD1-CD1 3.91Å; I440-L467 HydrophobicContact CD1-CD2 3.93Å; I440-L467 HydrophobicContact CD1-CG 4.14Å; L464-L467 HydrophobicContact CD2-CD1 3.84Å; L464-L467 VanDerWaalsContact O-CB 3.24Å; L464-L467 WeakPolarHBondContact O-CB 3.08Å; L464-L467 WeakPolarHBondContact O-CG 3.39Å; L464-L467 PolarHBondContact O-N 2.96Å; L465-L467 VanDerWaalsContact C-N 3.27Å; L467-T471 HydrophobicContact CD1-CG2 4.38Å; L467-L472 HydrophobicContact CB-CD2 4.45Å; L467-L472 HydrophobicContact CB-CG 4.33Å; L467-M475 HydrophobicContact CD1-CE 3.47Å; L467-M475 VanDerWaalsContact CD1-CE 3.47Å; L467-M475 HydrophobicContact CD1-SD 4.06Å
468P90.7Very high92.3Very high81 Ų8152.4 Ų52.453%0.52627%0.271SS..  trans-56.6142175.9-24.434.6000112.7P470 T471 L472P468-P470 VanDerWaalsContact C-CD 3.43Å; P468-P470 VanDerWaalsContact C-N 3.33Å; P468-T471 WeakPolarHBondContact O-CB 3.38Å; P468-T471 PolarHBondContact O-N 3.45Å; P468-L472 PolarHBondContact O-N 3Å; P468-L472 VanDerWaalsContact O-N 3.12Å
469K88.9Confident92.5Very high150 Ų15047.8 Ų47.865%0.65224%0.243SC*.Hα-helixtrans-49.6-43.2177.5-68.2-173.9178.9-174.10113.9T471 L472 I473 L544K469-T471 VanDerWaalsContact C-N 3.34Å; K469-T471 PolarHBondContact O-N 3.14Å; K469-L472 PolarHBondContact O-N 3.39Å; K469-I473 WeakPolarHBondContact O-CG1 3.37Å; K469-I473 PolarHBondContact O-N 3.39Å; K469-L544 HydrophobicContact CB-CD1 4.01Å; K469-L544 HydrophobicContact CD-CD1 3.96Å; K469-L544 HydrophobicContact CG-CD1 3.88Å
470P89.2Confident92.6Very high79 Ų7944.3 Ų44.351%0.51323%0.229SC..Hα-helixtrans-61.4-40177.3-2435.5000113.2P468 L472 I473 I474P468-P470 VanDerWaalsContact C-CD 3.43Å; P468-P470 VanDerWaalsContact C-N 3.33Å; P470-L472 PolarHBondContact O-N 3.08Å; P470-I473 PolarHBondContact O-N 3.01Å; P470-I474 WeakPolarHBondContact O-CG1 3.44Å; P470-I474 PolarHBondContact O-N 2.89Å; P470-I474 VanDerWaalsContact O-N 3.13Å
471T90.8Very high92.7Very high33 Ų3344.3 Ų44.320%0.20223%0.229CC..Hα-helixtrans-62.8-43.7176.5-510000110.8L435 L467 P468 K469 I473 I474 M475L435-T471 HydrophobicContact CD1-CG2 3.98Å; L467-T471 HydrophobicContact CD1-CG2 4.38Å; P468-T471 WeakPolarHBondContact O-CB 3.38Å; P468-T471 PolarHBondContact O-N 3.45Å; K469-T471 VanDerWaalsContact C-N 3.34Å; K469-T471 PolarHBondContact O-N 3.14Å; T471-I473 VanDerWaalsContact C-N 3.33Å; T471-I473 PolarHBondContact O-N 3.49Å; T471-I474 PolarHBondContact O-N 2.94Å; T471-M475 HydrophobicContact CG2-CE 4.04Å; T471-M475 WeakPolarHBondContact O-CG 3.4Å; T471-M475 PolarHBondContact O-N 3.04Å
472L91.9Very high92.8Very high9 Ų940.4 Ų40.45%0.04721%0.214CC..Hα-helixtrans-63.8-35.5176.9-72.2175.2000113L464 L467 P468 K469 P470 M475 R476 F538 L544L464-L472 HydrophobicContact CB-CD2 4.19Å; L464-L472 WeakPolarHBondContact O-CD2 3.47Å; L467-L472 HydrophobicContact CB-CD2 4.45Å; L467-L472 HydrophobicContact CB-CG 4.33Å; P468-L472 PolarHBondContact O-N 3Å; P468-L472 VanDerWaalsContact O-N 3.12Å; K469-L472 PolarHBondContact O-N 3.39Å; P470-L472 PolarHBondContact O-N 3.08Å; L472-M475 HydrophobicContact CD2-SD 4.34Å; L472-R476 VanDerWaalsContact O-CB 3.25Å; L472-R476 WeakPolarHBondContact O-CB 3.29Å; L472-R476 PolarHBondContact O-N 3.13Å; L472-F538 HydrophobicContact CD2-CD1 4.41Å; L472-F538 HydrophobicContact CD2-CE1 4.49Å; L472-L544 HydrophobicContact CB-CD2 3.84Å
473I91.4Very high93Very high15 Ų1534 Ų348%0.07719%0.188CC..Hα-helixtrans-64.9-46.2175.5-68.4165.7000110.4I363 K469 P470 T471 R476 Y477 L544 E545I363-I473 HydrophobicContact CG1-CG2 4.15Å; K469-I473 WeakPolarHBondContact O-CG1 3.37Å; K469-I473 PolarHBondContact O-N 3.39Å; P470-I473 PolarHBondContact O-N 3.01Å; T471-I473 VanDerWaalsContact C-N 3.33Å; T471-I473 PolarHBondContact O-N 3.49Å; I473-R476 PolarHBondContact O-N 3.49Å; I473-Y477 WeakPolarHBondContact O-CB 3.34Å; I473-Y477 PolarHBondContact O-N 2.91Å; I473-L544 HydrophobicContact CG1-CD2 3.91Å; I473-L544 HydrophobicContact CG1-CG 4.11Å; I473-E545 WeakPolarHBondContact CD1-O 3.4Å
474I92.8Very high93.1Very high26 Ų2633.9 Ų33.913%0.13319%0.186CC..Hα-helixtrans-64.2-44.7178.1-63.9167.4000110.7P364 F428 L435 P470 T471 Y477 L478P364-I474 HydrophobicContact CG-CD1 4.1Å; F428-I474 HydrophobicContact CE1-CG2 3.72Å; F428-I474 HydrophobicContact CZ-CG2 4.1Å; L435-I474 HydrophobicContact CD1-CB 4.31Å; L435-I474 HydrophobicContact CD1-CG2 3.92Å; P470-I474 WeakPolarHBondContact O-CG1 3.44Å; P470-I474 PolarHBondContact O-N 2.89Å; P470-I474 VanDerWaalsContact O-N 3.13Å; T471-I474 PolarHBondContact O-N 2.94Å; I474-Y477 PolarHBondContact O-N 3.38Å; I474-L478 WeakPolarHBondContact O-CB 3.49Å; I474-L478 PolarHBondContact O-N 3.44Å
475M94.3Very high93.2Very high0 Ų033.8 Ų33.80%019%0.185CC..Hα-helixtrans-58.8-49.6175.3-74-177.4171.800111.6L435 F436 L464 L467 T471 L472 Y477 L478 F479 F538L435-M475 HydrophobicContact CD1-CG 3.97Å; L435-M475 HydrophobicContact CD2-CE 4.48Å; L435-M475 HydrophobicContact CD2-CG 3.7Å; L435-M475 HydrophobicContact CG-CE 3.79Å; L435-M475 HydrophobicContact CG-CG 3.67Å; L435-M475 WeakPolarHBondContact O-CE 3.5Å; F436-M475 HydrophobicContact CD1-CE 3.91Å; F436-M475 HydrophobicContact CD2-CE 4.22Å; F436-M475 HydrophobicContact CE1-CE 3.86Å; F436-M475 HydrophobicContact CE2-CE 4.16Å; F436-M475 HydrophobicContact CG-CE 4.11Å; F436-M475 HydrophobicContact CZ-CE 3.99Å; L464-M475 HydrophobicContact CD1-SD 4.46Å; L464-M475 HydrophobicContact CD2-CE 4.33Å; L464-M475 HydrophobicContact CD2-SD 4.33Å; L467-M475 HydrophobicContact CD1-CE 3.47Å; L467-M475 VanDerWaalsContact CD1-CE 3.47Å; L467-M475 HydrophobicContact CD1-SD 4.06Å; T471-M475 HydrophobicContact CG2-CE 4.04Å; T471-M475 WeakPolarHBondContact O-CG 3.4Å; T471-M475 PolarHBondContact O-N 3.04Å; L472-M475 HydrophobicContact CD2-SD 4.34Å; M475-Y477 PolarHBondContact O-N 3.26Å; M475-L478 PolarHBondContact O-N 3.49Å; M475-F479 HydrophobicContact CB-CD2 4.31Å; M475-F479 WeakPolarHBondContact O-CB 3.49Å; M475-F479 VanDerWaalsContact O-CD2 3.27Å; M475-F479 WeakPolarHBondContact O-CD2 3.44Å; M475-F479 PolarHBondContact O-N 3.28Å; M475-F538 HydrophobicContact CB-CD1 4.23Å; M475-F538 HydrophobicContact CB-CE1 3.43Å; M475-F538 VanDerWaalsContact CB-CE1 3.43Å; M475-F538 HydrophobicContact CB-CZ 3.67Å; M475-F538 HydrophobicContact CG-CE1 4.26Å; M475-F538 HydrophobicContact CG-CZ 4.5Å; M475-F538 HydrophobicContact SD-CE1 3.84Å; M475-F538 HydrophobicContact SD-CZ 4.33Å
476R93.4Very high93.5Very high16 Ų1630.1 Ų30.16%0.0617%0.167CC..Hα-helixtrans-57.7-40.2179-175.9-17866.91642.6111.5L472 I473 A480 F538 P539 L544 G546 P547L472-R476 VanDerWaalsContact O-CB 3.25Å; L472-R476 WeakPolarHBondContact O-CB 3.29Å; L472-R476 PolarHBondContact O-N 3.13Å; I473-R476 PolarHBondContact O-N 3.49Å; R476-A480 WeakPolarHBondContact O-CB 3.42Å; R476-A480 PolarHBondContact O-N 3.36Å; R476-F538 HydrophobicContact CB-CB 3.99Å; R476-F538 HydrophobicContact CB-CD1 4.43Å; R476-F538 HydrophobicContact CB-CG 4.07Å; R476-F538 HydrophobicContact CG-CB 3.89Å; R476-F538 HydrophobicContact CG-CG 4.42Å; R476-P539 WeakPolarHBondContact CD-O 3.47Å; R476-L544 PolarHBondContact NH1-O 3Å; R476-G546 PolarHBondContact NH2-O 3.42Å; R476-P547 PolarHBondContact NH2-O 3.5Å
477Y93.9Very high93.6Very high22 Ų2229 Ų299%0.08615%0.154CC..Hα-helixtrans-69-48.8178.5-165.9-95.1000112.2I363 I371 I473 I474 M475 F481 Y549I363-Y477 HydrophobicContact CD1-CD1 3.84Å; I363-Y477 HydrophobicContact CD1-CD2 3.26Å; I363-Y477 HydrophobicContact CD1-CE1 4.24Å; I363-Y477 HydrophobicContact CD1-CE2 3.72Å; I363-Y477 HydrophobicContact CD1-CG 3.33Å; I371-Y477 HydrophobicContact CB-CE1 4.06Å; I371-Y477 HydrophobicContact CD1-CD1 3.71Å; I371-Y477 HydrophobicContact CD1-CE1 3.77Å; I371-Y477 HydrophobicContact CG2-CE1 3.72Å; I473-Y477 WeakPolarHBondContact O-CB 3.34Å; I473-Y477 PolarHBondContact O-N 2.91Å; I474-Y477 PolarHBondContact O-N 3.38Å; M475-Y477 PolarHBondContact O-N 3.26Å; Y477-F481 PolarHBondContact O-N 2.78Å; Y477-F481 VanDerWaalsContact O-N 3.11Å; Y477-Y549 VanDerWaalsContact CD2-N 3.3Å; Y477-Y549 HydrophobicContact CE1-CD2 4.5Å; Y477-Y549 VanDerWaalsContact CE2-CA 3.49Å; Y477-Y549 HydrophobicContact CE2-CD2 4.44Å
478L95.6Very high93.9Very high0 Ų030.9 Ų30.90%016%0.161CC..Hα-helixtrans-61.5-50.7179.4176.465.5000112I371 F428 L435 I474 M475 A480 F481 L482 F503 L507I371-L478 HydrophobicContact CD1-CD1 4.21Å; F428-L478 HydrophobicContact CD2-CD2 4.27Å; F428-L478 HydrophobicContact CE1-CD2 4.19Å; F428-L478 HydrophobicContact CE2-CD1 3.8Å; F428-L478 HydrophobicContact CE2-CD2 3.79Å; F428-L478 HydrophobicContact CE2-CG 4.33Å; F428-L478 HydrophobicContact CZ-CB 4.39Å; F428-L478 HydrophobicContact CZ-CD1 4.16Å; F428-L478 HydrophobicContact CZ-CD2 3.75Å; F428-L478 HydrophobicContact CZ-CG 4.32Å; L435-L478 HydrophobicContact CD2-CD2 4.07Å; I474-L478 WeakPolarHBondContact O-CB 3.49Å; I474-L478 PolarHBondContact O-N 3.44Å; M475-L478 PolarHBondContact O-N 3.49Å; L478-A480 VanDerWaalsContact C-N 3.34Å; L478-A480 PolarHBondContact O-N 3.05Å; L478-F481 WeakPolarHBondContact O-CB 3.17Å; L478-F481 PolarHBondContact O-N 3.17Å; L478-F481 VanDerWaalsContact O-N 3.15Å; L478-L482 HydrophobicContact CD1-CD1 4.23Å; L478-L482 HydrophobicContact CD1-CG 4.23Å; L478-L482 HydrophobicContact CG-CD1 4.08Å; L478-L482 HydrophobicContact CG-CG 4.42Å; L478-L482 WeakPolarHBondContact O-CG 3.44Å; L478-L482 PolarHBondContact O-N 3.48Å; L478-F503 HydrophobicContact CD1-CE1 4.24Å; L478-L507 HydrophobicContact CD2-CD1 4.11Å; L478-L507 HydrophobicContact CD2-CD2 3.81Å
479F96.4Very high94Very high0 Ų028.9 Ų28.90%015%0.149CC..Hα-helixtrans-71.7-28.6-175.5-77.6-74.5000112.9F436 M475 L482 N483 L507 I527 I530 I531 H534 F538F436-F479 HydrophobicContact CE2-CE2 4.04Å; F436-F479 HydrophobicContact CE2-CZ 4.01Å; F436-F479 AromaticContact CZ-CE2 3.77Å; F436-F479 HydrophobicContact CZ-CE2 3.77Å; F436-F479 AromaticContact CZ-CZ 3.82Å; F436-F479 HydrophobicContact CZ-CZ 3.82Å; M475-F479 HydrophobicContact CB-CD2 4.31Å; M475-F479 WeakPolarHBondContact O-CB 3.49Å; M475-F479 VanDerWaalsContact O-CD2 3.27Å; M475-F479 WeakPolarHBondContact O-CD2 3.44Å; M475-F479 PolarHBondContact O-N 3.28Å; F479-L482 HydrophobicContact CD1-CD1 4.3Å; F479-L482 HydrophobicContact CE1-CD1 4.46Å; F479-N483 WeakPolarHBondContact O-CB 3.47Å; F479-N483 PolarHBondContact O-N 3.2Å; F479-L507 HydrophobicContact CE1-CD1 4.46Å; F479-L507 HydrophobicContact CE2-CD1 4.48Å; F479-L507 HydrophobicContact CZ-CD1 3.83Å; F479-I527 HydrophobicContact CE1-CG2 4.09Å; F479-I527 HydrophobicContact CZ-CD1 4.07Å; F479-I530 HydrophobicContact CB-CG2 4.33Å; F479-I530 HydrophobicContact CD1-CB 4.11Å; F479-I530 HydrophobicContact CD1-CG2 3.51Å; F479-I530 HydrophobicContact CD2-CG2 3.68Å; F479-I530 HydrophobicContact CE1-CB 3.86Å; F479-I530 HydrophobicContact CE1-CG2 3.56Å; F479-I530 HydrophobicContact CE2-CG2 3.75Å; F479-I530 HydrophobicContact CG-CG2 3.57Å; F479-I530 HydrophobicContact CZ-CB 4.18Å; F479-I530 HydrophobicContact CZ-CG2 3.69Å; F479-I531 HydrophobicContact CD1-CG1 3.65Å; F479-I531 HydrophobicContact CE1-CG1 3.87Å; F479-H534 HydrophobicContact CB-CB 4.06Å; F479-F538 HydrophobicContact CB-CE2 3.79Å; F479-F538 AromaticContact CD2-CE2 3.76Å; F479-F538 HydrophobicContact CD2-CE2 3.76Å; F479-F538 AromaticContact CD2-CZ 3.67Å; F479-F538 HydrophobicContact CD2-CZ 3.67Å; F479-F538 HydrophobicContact CE2-CZ 4.26Å; F479-F538 AromaticContact CG-CE2 3.98Å; F479-F538 HydrophobicContact CG-CE2 3.98Å; F479-F538 HydrophobicContact CG-CZ 4.35Å
480A94.8Very high94.2Very high14 Ų1430.5 Ų30.512%0.11616%0.159CC..Hα-helixtrans-66.1-39168.900000112R476 L478 H484 Y549R476-A480 WeakPolarHBondContact O-CB 3.42Å; R476-A480 PolarHBondContact O-N 3.36Å; L478-A480 VanDerWaalsContact C-N 3.34Å; L478-A480 PolarHBondContact O-N 3.05Å; A480-H484 PolarHBondContact O-N 3.44Å; A480-Y549 HydrophobicContact CB-CD1 4.14Å; A480-Y549 HydrophobicContact CB-CG 4.49Å
481F96.3Very high94.4Very high0 Ų031.4 Ų31.40%016%0.157CC..Hα-helixtrans-64.9-47.8173161.9-104.6000112.2I371 I374 F385 L424 Y477 L478 N483 H484 L485 Y549I371-F481 HydrophobicContact CB-CG 4.44Å; I371-F481 HydrophobicContact CD1-CB 4.34Å; I371-F481 HydrophobicContact CD1-CD1 4.19Å; I371-F481 HydrophobicContact CD1-CG 4.35Å; I371-F481 HydrophobicContact CG1-CD1 3.93Å; I371-F481 HydrophobicContact CG1-CE1 4.26Å; I371-F481 HydrophobicContact CG1-CG 4.13Å; I371-F481 HydrophobicContact CG2-CB 3.86Å; I371-F481 HydrophobicContact CG2-CD1 4.31Å; I371-F481 HydrophobicContact CG2-CD2 3.62Å; I371-F481 HydrophobicContact CG2-CE2 4.26Å; I371-F481 HydrophobicContact CG2-CG 3.65Å; I374-F481 HydrophobicContact CB-CE2 4.35Å; I374-F481 HydrophobicContact CB-CZ 4.03Å; I374-F481 HydrophobicContact CG2-CE2 4.14Å; I374-F481 HydrophobicContact CG2-CZ 3.68Å; F385-F481 AromaticContact CE2-CE1 3.85Å; F385-F481 HydrophobicContact CE2-CE1 3.85Å; F385-F481 HydrophobicContact CE2-CZ 4.03Å; F385-F481 AromaticContact CZ-CE1 3.77Å; F385-F481 HydrophobicContact CZ-CE1 3.77Å; F385-F481 HydrophobicContact CZ-CZ 4.1Å; L424-F481 HydrophobicContact CD2-CE1 4.39Å; Y477-F481 PolarHBondContact O-N 2.78Å; Y477-F481 VanDerWaalsContact O-N 3.11Å; L478-F481 WeakPolarHBondContact O-CB 3.17Å; L478-F481 PolarHBondContact O-N 3.17Å; L478-F481 VanDerWaalsContact O-N 3.15Å; F481-N483 VanDerWaalsContact C-N 3.3Å; F481-N483 PolarHBondContact O-N 2.97Å; F481-H484 WeakPolarHBondContact O-CB 3.37Å; F481-H484 PolarHBondContact O-N 3.44Å; F481-H484 VanDerWaalsContact O-N 3.12Å; F481-L485 HydrophobicContact CZ-CD2 4.27Å; F481-L485 PolarHBondContact O-N 3.44Å; F481-Y549 HydrophobicContact CB-CD1 4.35Å; F481-Y549 HydrophobicContact CB-CD2 4.12Å; F481-Y549 HydrophobicContact CB-CE1 4.25Å; F481-Y549 HydrophobicContact CB-CE2 4.05Å; F481-Y549 HydrophobicContact CB-CG 4.25Å; F481-Y549 AromaticContact CD2-CE2 3.94Å; F481-Y549 HydrophobicContact CD2-CE2 3.94Å; F481-Y549 AromaticContact CD2-CZ 3.83Å; F481-Y549 WeakPolarHBondContact CD2-OH 3.43Å; F481-Y549 HydrophobicContact CG-CE2 4.47Å
482L96.8Very high94.5Very high0 Ų029.9 Ų29.90%015%0.147CC..Hα-helixtrans-62.7-36.7178.7-66.6177.9000112.2L478 F479 L485 S486 F503 I531L478-L482 HydrophobicContact CD1-CD1 4.23Å; L478-L482 HydrophobicContact CD1-CG 4.23Å; L478-L482 HydrophobicContact CG-CD1 4.08Å; L478-L482 HydrophobicContact CG-CG 4.42Å; L478-L482 WeakPolarHBondContact O-CG 3.44Å; L478-L482 PolarHBondContact O-N 3.48Å; F479-L482 HydrophobicContact CD1-CD1 4.3Å; F479-L482 HydrophobicContact CE1-CD1 4.46Å; L482-L485 PolarHBondContact O-N 2.95Å; L482-S486 WeakPolarHBondContact O-CB 3.45Å; L482-S486 PolarHBondContact O-N 3.49Å; L482-F503 HydrophobicContact CD1-CD1 4.48Å; L482-F503 HydrophobicContact CD1-CD2 4.14Å; L482-F503 HydrophobicContact CD1-CE2 4.38Å; L482-F503 HydrophobicContact CD1-CG 4.18Å; L482-F503 HydrophobicContact CD2-CD2 3.91Å; L482-F503 HydrophobicContact CD2-CE2 3.47Å; L482-F503 VanDerWaalsContact CD2-CE2 3.47Å; L482-F503 HydrophobicContact CD2-CZ 3.92Å; L482-I531 HydrophobicContact CB-CD1 4.41Å; L482-I531 HydrophobicContact CB-CG1 4.14Å; L482-I531 HydrophobicContact CB-CG2 4.4Å; L482-I531 HydrophobicContact CD1-CD1 4.31Å; L482-I531 HydrophobicContact CD1-CG1 4.31Å
483N96.4Very high94.6Very high23 Ų2334.5 Ų34.512%0.12317%0.17CC..Hα-helixtrans-62.2-47.1171.7-175.5-84.5000111.5F479 F481 L485 S486 Q487 I531 H534F479-N483 WeakPolarHBondContact O-CB 3.47Å; F479-N483 PolarHBondContact O-N 3.2Å; F481-N483 VanDerWaalsContact C-N 3.3Å; F481-N483 PolarHBondContact O-N 2.97Å; N483-L485 PolarHBondContact O-N 2.7Å; N483-S486 PolarHBondContact O-N 3.36Å; N483-S486 PolarHBondContact O-OG 3.25Å; N483-Q487 PolarHBondContact O-N 3.35Å; N483-Q487 PolarHBondContact OD1-NE2 3.13Å; N483-I531 HydrophobicContact CB-CG2 4.41Å; N483-I531 PolarHBondContact ND2-O 2.91Å; N483-H534 VanDerWaalsContact CB-CD2 3.4Å; N483-H534 WeakPolarHBondContact CB-CD2 3.4Å; N483-H534 VanDerWaalsContact CG-CD2 3.46Å
484H95.7Very high94.8Very high18 Ų1833.8 Ų33.88%0.08317%0.166CC..Hα-helixtrans-60.8-43.9177.3-175.1-155.6000112A480 F481 S486 Q487 F488 Y549A480-H484 PolarHBondContact O-N 3.44Å; F481-H484 WeakPolarHBondContact O-CB 3.37Å; F481-H484 PolarHBondContact O-N 3.44Å; F481-H484 VanDerWaalsContact O-N 3.12Å; H484-S486 VanDerWaalsContact C-N 3.32Å; H484-S486 PolarHBondContact O-N 2.9Å; H484-Q487 WeakPolarHBondContact O-CB 3.34Å; H484-Q487 PolarHBondContact O-N 3.48Å; H484-Q487 VanDerWaalsContact O-N 3.16Å; H484-F488 AromaticContact CD2-CE2 3.86Å; H484-F488 AromaticContact NE2-CE2 3.61Å; H484-F488 WeakPolarHBondContact O-CD2 3.33Å; H484-Y549 HydrophobicContact CB-CE1 3.61Å; H484-Y549 AromaticContact CG-CE1 3.9Å; H484-Y549 AromaticContact ND1-CE1 3.5Å; H484-Y549 AromaticContact ND1-CZ 3.53Å; H484-Y549 PolarHBondContact ND1-OH 3.29Å
485L95.5Very high95Very high0 Ų035.6 Ų35.60%018%0.176CC..Hα-helixtrans-60.4-40.5177.2-174.569.8000112.5L379 I384 F385 F481 L482 N483 Q487 F488 N492 L499L379-L485 HydrophobicContact CD2-CD1 3.66Å; I384-L485 HydrophobicContact CG2-CD1 4.11Å; I384-L485 HydrophobicContact CG2-CD2 4.04Å; I384-L485 HydrophobicContact CG2-CG 4.4Å; F385-L485 HydrophobicContact CD2-CD2 3.71Å; F385-L485 HydrophobicContact CE2-CD2 3.49Å; F385-L485 VanDerWaalsContact CE2-CD2 3.49Å; F481-L485 HydrophobicContact CZ-CD2 4.27Å; F481-L485 PolarHBondContact O-N 3.44Å; L482-L485 PolarHBondContact O-N 2.95Å; N483-L485 PolarHBondContact O-N 2.7Å; L485-Q487 PolarHBondContact O-N 3.03Å; L485-F488 PolarHBondContact O-N 3.41Å; L485-F488 VanDerWaalsContact O-N 3.11Å; L485-N492 PolarHBondContact O-ND2 2.93Å; L485-N492 VanDerWaalsContact O-ND2 3.08Å; L485-L499 HydrophobicContact CD2-CD1 4.28Å; L485-L499 HydrophobicContact CD2-CD2 3.86Å
486S96.2Very high95.1Very high11 Ų1137 Ų378%0.07719%0.185CC..Hα-helixtrans-65.8-17.5179.174.30000114.2L482 N483 H484 F488 S489L482-S486 WeakPolarHBondContact O-CB 3.45Å; L482-S486 PolarHBondContact O-N 3.49Å; N483-S486 PolarHBondContact O-N 3.36Å; N483-S486 PolarHBondContact O-OG 3.25Å; H484-S486 VanDerWaalsContact C-N 3.32Å; H484-S486 PolarHBondContact O-N 2.9Å; S486-F488 PolarHBondContact O-N 2.72Å; S486-S489 VanDerWaalsContact O-CB 3.25Å; S486-S489 WeakPolarHBondContact O-CB 3.4Å; S486-S489 PolarHBondContact O-N 3.46Å; S486-S489 PolarHBondContact O-OG 3.44Å
487Q94.9Very high95.1Very high96 Ų9641.3 Ų41.345%0.44920%0.202SC..THydrogen-bonded Turntrans-71-18.9175.3-65.2167.824.600112N483 H484 L485N483-Q487 PolarHBondContact O-N 3.35Å; N483-Q487 PolarHBondContact OD1-NE2 3.13Å; H484-Q487 WeakPolarHBondContact O-CB 3.34Å; H484-Q487 PolarHBondContact O-N 3.48Å; H484-Q487 VanDerWaalsContact O-N 3.16Å; L485-Q487 PolarHBondContact O-N 3.03Å
488F95.4Very high95.2Very high56 Ų5642.4 Ų42.425%0.24621%0.209CC..THydrogen-bonded Turntrans-97.119.8174.8-64.4-95.3000112.4L379 Q380 H484 L485 S486 E490 E491 N492L379-F488 HydrophobicContact CB-CD1 4.43Å; L379-F488 HydrophobicContact CB-CD2 4.16Å; L379-F488 HydrophobicContact CB-CE2 4.39Å; L379-F488 HydrophobicContact CB-CG 4.19Å; L379-F488 HydrophobicContact CD1-CD2 4.27Å; L379-F488 HydrophobicContact CD1-CE2 3.73Å; L379-F488 HydrophobicContact CD1-CZ 3.89Å; L379-F488 HydrophobicContact CD2-CD2 4.43Å; L379-F488 HydrophobicContact CG-CE2 4.45Å; L379-F488 WeakPolarHBondContact O-CB 3.3Å; Q380-F488 HydrophobicContact CG-CD1 4.49Å; H484-F488 AromaticContact CD2-CE2 3.86Å; H484-F488 AromaticContact NE2-CE2 3.61Å; H484-F488 WeakPolarHBondContact O-CD2 3.33Å; L485-F488 PolarHBondContact O-N 3.41Å; L485-F488 VanDerWaalsContact O-N 3.11Å; S486-F488 PolarHBondContact O-N 2.72Å; F488-E490 PolarHBondContact O-N 2.89Å; F488-E490 VanDerWaalsContact O-N 3.15Å; F488-E491 PolarHBondContact O-N 3.5Å; F488-N492 VanDerWaalsContact O-CG 3.23Å; F488-N492 PolarHBondContact O-N 2.9Å; F488-N492 PolarHBondContact O-ND2 3.42Å; F488-N492 PolarHBondContact O-OD1 3.3Å
489S94.2Very high95.2Very high39 Ų3942.4 Ų42.427%0.27321%0.209SC..Hα-helixtrans-62.6-20-175.8500000114.8S486 E491 N492 M493S486-S489 VanDerWaalsContact O-CB 3.25Å; S486-S489 WeakPolarHBondContact O-CB 3.4Å; S486-S489 PolarHBondContact O-N 3.46Å; S486-S489 PolarHBondContact O-OG 3.44Å; S489-E491 VanDerWaalsContact C-N 3.26Å; S489-E491 PolarHBondContact O-N 3.37Å; S489-N492 WeakPolarHBondContact CA-OD1 3.41Å; S489-M493 VanDerWaalsContact O-CA 3.3Å; S489-M493 WeakPolarHBondContact O-CA 3.39Å; S489-M493 PolarHBondContact O-N 2.85Å; S489-M493 VanDerWaalsContact O-N 3.12Å
490E92.5Very high95.2Very high184 Ų18442.4 Ų42.486%0.8621%0.209SC*.Hα-helixtrans-67.7-27.1171.2-63.6-172176.300112.7F488F488-E490 PolarHBondContact O-N 2.89Å; F488-E490 VanDerWaalsContact O-N 3.15Å
491E92.4Very high95.2Very high98 Ų9845.1 Ų45.146%0.45822%0.221SC..Hα-helixtrans-102.2-49.8-178.9-59.9-174.7-128.100111.6Q380 F488 S489Q380-E491 HydrophobicContact CB-CB 4.43Å; Q380-E491 HydrophobicContact CG-CB 4.49Å; Q380-E491 WeakPolarHBondContact CG-OE2 3.42Å; Q380-E491 PolarHBondContact NE2-OE1 3.42Å; Q380-E491 PolarHBondContact NE2-OE2 3.46Å; F488-E491 PolarHBondContact O-N 3.5Å; S489-E491 VanDerWaalsContact C-N 3.26Å; S489-E491 PolarHBondContact O-N 3.37Å
492N94.4Very high95.1Very high0 Ų046.3 Ų46.30%023%0.23CC..Hα-helixtrans-85.5-4.9-176.568.532.4000114.2L379 H381 G383 I384 L485 F488 S489 M494L379-N492 WeakPolarHBondContact O-CB 3.38Å; L379-N492 PolarHBondContact O-ND2 3.36Å; H381-N492 WeakPolarHBondContact O-CB 3.36Å; G383-N492 PolarHBondContact N-O 3.05Å; I384-N492 HydrophobicContact CG2-CB 4.38Å; L485-N492 PolarHBondContact O-ND2 2.93Å; L485-N492 VanDerWaalsContact O-ND2 3.08Å; F488-N492 VanDerWaalsContact O-CG 3.23Å; F488-N492 PolarHBondContact O-N 2.9Å; F488-N492 PolarHBondContact O-ND2 3.42Å; F488-N492 PolarHBondContact O-OD1 3.3Å; S489-N492 WeakPolarHBondContact CA-OD1 3.41Å; N492-M494 WeakPolarHBondContact O-CG 3.39Å; N492-M494 PolarHBondContact O-N 3.36Å; N492-M494 WeakPolarHBondContact OD1-CA 3.32Å; N492-M494 WeakPolarHBondContact OD1-CB 3.49Å; N492-M494 PolarHBondContact OD1-N 3.37Å
493M94.2Very high95Very high106 Ų10646.3 Ų46.352%0.52223%0.23SC..  trans6314.1-179.1-56.6-67.6-151.300115.6E382 S489 N498E382-M493 HydrophobicContact CG-CB 4.36Å; E382-M493 HydrophobicContact CG-CG 3.86Å; S489-M493 VanDerWaalsContact O-CA 3.3Å; S489-M493 WeakPolarHBondContact O-CA 3.39Å; S489-M493 PolarHBondContact O-N 2.85Å; S489-M493 VanDerWaalsContact O-N 3.12Å; M493-N498 PolarHBondContact O-ND2 3.08Å; M493-N498 VanDerWaalsContact O-ND2 3.12Å
494M95.4Very high94.8Very high1 Ų145.2 Ų45.21%0.00522%0.224CC..  trans-113.884.6-174.7-63.5-59.9-66.900112.2I384 R386 N492 N498 L499I384-M494 HydrophobicContact CG2-CG 4.23Å; I384-M494 WeakPolarHBondContact O-CE 3.5Å; I384-M494 WeakPolarHBondContact O-CG 3.48Å; R386-M494 HydrophobicContact CB-CE 3.8Å; R386-M494 HydrophobicContact CB-SD 3.76Å; N492-M494 WeakPolarHBondContact O-CG 3.39Å; N492-M494 PolarHBondContact O-N 3.36Å; N492-M494 WeakPolarHBondContact OD1-CA 3.32Å; N492-M494 WeakPolarHBondContact OD1-CB 3.49Å; N492-M494 PolarHBondContact OD1-N 3.37Å; M494-N498 HydrophobicContact CE-CB 3.82Å; M494-N498 HydrophobicContact SD-CB 4.06Å; M494-L499 HydrophobicContact CB-CD2 3.95Å; M494-L499 HydrophobicContact CB-CG 4.11Å; M494-L499 HydrophobicContact CE-CD2 3.89Å; M494-L499 HydrophobicContact CE-CG 4.4Å
495D95.9Very high94.5Very high63 Ų6347.3 Ų47.334%0.33724%0.239SC..  trans-69.3169.7171.377.417.5000112.5Y497 N498 L499D495-Y497 PolarHBondContact O-N 3.11Å; D495-Y497 VanDerWaalsContact O-N 3.11Å; D495-Y497 WeakPolarHBondContact OD1-CA 3.34Å; D495-Y497 WeakPolarHBondContact OD1-CB 3.35Å; D495-Y497 PolarHBondContact OD1-N 3.39Å; D495-N498 PolarHBondContact O-N 3.22Å; D495-N498 PolarHBondContact OD1-N 3.42Å; D495-L499 WeakPolarHBondContact O-CG 3.46Å; D495-L499 PolarHBondContact O-N 2.99Å
496P95.8Very high94.2Very high30 Ų3048.1 Ų48.120%0.19525%0.245CC..Hα-helixtrans-57.3-26.4179.4-2735.4000114.7A500 K528 I531 I532P496-A500 VanDerWaalsContact O-CB 3.28Å; P496-A500 WeakPolarHBondContact O-CB 3.5Å; P496-A500 PolarHBondContact O-N 3.35Å; P496-A500 VanDerWaalsContact O-N 3.13Å; P496-K528 HydrophobicContact CB-CG 4.34Å; P496-I531 HydrophobicContact CB-CG2 4.09Å; P496-I532 HydrophobicContact CB-CD1 4.25Å; P496-I532 HydrophobicContact CB-CG1 3.94Å; P496-I532 HydrophobicContact CG-CG1 4.17Å
497Y94.7Very high94Very high106 Ų10647.7 Ų47.742%0.41624%0.242SC..Hα-helixtrans-77.3-44.4178.2-179.5-108.3000111.2D495 L499 A500 I501 K528D495-Y497 PolarHBondContact O-N 3.11Å; D495-Y497 VanDerWaalsContact O-N 3.11Å; D495-Y497 WeakPolarHBondContact OD1-CA 3.34Å; D495-Y497 WeakPolarHBondContact OD1-CB 3.35Å; D495-Y497 PolarHBondContact OD1-N 3.39Å; Y497-L499 VanDerWaalsContact C-N 3.35Å; Y497-L499 PolarHBondContact O-N 2.93Å; Y497-A500 WeakPolarHBondContact O-CB 3.33Å; Y497-A500 PolarHBondContact O-N 2.95Å; Y497-A500 VanDerWaalsContact O-N 3.14Å; Y497-I501 HydrophobicContact CD1-CD1 3.9Å; Y497-I501 HydrophobicContact CE1-CD1 3.5Å; Y497-I501 VanDerWaalsContact CE1-CD1 3.5Å; Y497-I501 HydrophobicContact CE1-CG1 4.4Å; Y497-I501 WeakPolarHBondContact O-CG1 3.42Å; Y497-I501 PolarHBondContact O-N 3.3Å; Y497-K528 HydrophobicContact CD2-CD 3.91Å; Y497-K528 HydrophobicContact CG-CD 4.46Å
498N95.8Very high93.7Very high45 Ų4543.3 Ų43.324%0.24122%0.221CC..Hα-helixtrans-61.3-43175.3-70.5-16.9000111.2M493 M494 D495 A500 I501 C502M493-N498 PolarHBondContact O-ND2 3.08Å; M493-N498 VanDerWaalsContact O-ND2 3.12Å; M494-N498 HydrophobicContact CE-CB 3.82Å; M494-N498 HydrophobicContact SD-CB 4.06Å; D495-N498 PolarHBondContact O-N 3.22Å; D495-N498 PolarHBondContact OD1-N 3.42Å; N498-A500 VanDerWaalsContact C-N 3.33Å; N498-A500 PolarHBondContact O-N 3.45Å; N498-I501 PolarHBondContact O-N 3.05Å; N498-C502 PolarHBondContact O-N 3.4Å; N498-C502 VanDerWaalsContact O-N 3.16Å; N498-C502 PolarHBondContact O-SG 2.95Å
499L96.6Very high93.2Very high0 Ų043.8 Ų43.80%023%0.231CC..Hα-helixtrans-63.3-39.1173.7-69.1173.9000111.8F385 L485 M494 D495 Y497 C502 F503 I531F385-L499 HydrophobicContact CD2-CD2 4.08Å; L485-L499 HydrophobicContact CD2-CD1 4.28Å; L485-L499 HydrophobicContact CD2-CD2 3.86Å; M494-L499 HydrophobicContact CB-CD2 3.95Å; M494-L499 HydrophobicContact CB-CG 4.11Å; M494-L499 HydrophobicContact CE-CD2 3.89Å; M494-L499 HydrophobicContact CE-CG 4.4Å; D495-L499 WeakPolarHBondContact O-CG 3.46Å; D495-L499 PolarHBondContact O-N 2.99Å; Y497-L499 VanDerWaalsContact C-N 3.35Å; Y497-L499 PolarHBondContact O-N 2.93Å; L499-C502 PolarHBondContact O-N 3.39Å; L499-F503 WeakPolarHBondContact O-CB 3.38Å; L499-F503 PolarHBondContact O-N 3.01Å; L499-I531 HydrophobicContact CB-CD1 4.07Å
500A95.6Very high92.6Very high0 Ų043.3 Ų43.30%023%0.227CC..Hα-helixtrans-66.4-35.9176.900000113.1P496 Y497 N498 C502 G504 N524 I527 K528 I531P496-A500 VanDerWaalsContact O-CB 3.28Å; P496-A500 WeakPolarHBondContact O-CB 3.5Å; P496-A500 PolarHBondContact O-N 3.35Å; P496-A500 VanDerWaalsContact O-N 3.13Å; Y497-A500 WeakPolarHBondContact O-CB 3.33Å; Y497-A500 PolarHBondContact O-N 2.95Å; Y497-A500 VanDerWaalsContact O-N 3.14Å; N498-A500 VanDerWaalsContact C-N 3.33Å; N498-A500 PolarHBondContact O-N 3.45Å; A500-C502 VanDerWaalsContact C-N 3.31Å; A500-G504 VanDerWaalsContact O-CA 3.28Å; A500-G504 WeakPolarHBondContact O-CA 3.45Å; A500-G504 PolarHBondContact O-N 2.97Å; A500-N524 VanDerWaalsContact CB-O 3.26Å; A500-N524 WeakPolarHBondContact CB-O 3.45Å; A500-I527 HydrophobicContact CB-CB 3.98Å; A500-I527 HydrophobicContact CB-CG2 3.8Å; A500-K528 HydrophobicContact CB-CB 3.87Å; A500-I531 HydrophobicContact CB-CD1 4.37Å
501I93.8Very high92.1Very high71 Ų7135.5 Ų35.536%0.36419%0.192SC..Hα-helixtrans-62.5-41.3171.9-68.5167.5000110.6Y497 N498 P505Y497-I501 HydrophobicContact CD1-CD1 3.9Å; Y497-I501 HydrophobicContact CE1-CD1 3.5Å; Y497-I501 VanDerWaalsContact CE1-CD1 3.5Å; Y497-I501 HydrophobicContact CE1-CG1 4.4Å; Y497-I501 WeakPolarHBondContact O-CG1 3.42Å; Y497-I501 PolarHBondContact O-N 3.3Å; N498-I501 PolarHBondContact O-N 3.05Å; I501-P505 WeakPolarHBondContact O-CD 3.19Å
502C95.2Very high91.2Very high26 Ų2639.6 Ų39.618%0.17621%0.211CC..Hα-helixtrans-73.6-40.9-177.5-62.50000112.7F385 N498 L499 A500F385-C502 HydrophobicContact CB-CB 4.27Å; N498-C502 PolarHBondContact O-N 3.4Å; N498-C502 VanDerWaalsContact O-N 3.16Å; N498-C502 PolarHBondContact O-SG 2.95Å; L499-C502 PolarHBondContact O-N 3.39Å; A500-C502 VanDerWaalsContact C-N 3.31Å
503F95.1Very high90Very high0 Ų043.6 Ų43.60%025%0.252CS..Hα-helixtrans-89.6-26.4-177.8-88.2-87000114.1F385 L424 K425 F428 L478 L482 L499 S506 L507F385-F503 HydrophobicContact CB-CE2 4.07Å; F385-F503 AromaticContact CD1-CE2 3.45Å; F385-F503 HydrophobicContact CD1-CE2 3.45Å; F385-F503 VanDerWaalsContact CD1-CE2 3.45Å; F385-F503 AromaticContact CD1-CZ 3.55Å; F385-F503 HydrophobicContact CD1-CZ 3.55Å; F385-F503 AromaticContact CD2-CE2 3.82Å; F385-F503 HydrophobicContact CD2-CE2 3.82Å; F385-F503 HydrophobicContact CD2-CZ 4.45Å; F385-F503 AromaticContact CE1-CE2 3.76Å; F385-F503 HydrophobicContact CE1-CE2 3.76Å; F385-F503 AromaticContact CE1-CZ 3.44Å; F385-F503 HydrophobicContact CE1-CZ 3.44Å; F385-F503 VanDerWaalsContact CE1-CZ 3.44Å; F385-F503 HydrophobicContact CE2-CE2 4.09Å; F385-F503 HydrophobicContact CE2-CZ 4.36Å; F385-F503 HydrophobicContact CG-CD2 4.48Å; F385-F503 AromaticContact CG-CE2 3.5Å; F385-F503 HydrophobicContact CG-CE2 3.5Å; F385-F503 VanDerWaalsContact CG-CE2 3.5Å; F385-F503 HydrophobicContact CG-CZ 4.08Å; F385-F503 HydrophobicContact CZ-CE2 4.06Å; F385-F503 AromaticContact CZ-CZ 3.87Å; F385-F503 HydrophobicContact CZ-CZ 3.87Å; L424-F503 HydrophobicContact CD2-CZ 4.48Å; K425-F503 HydrophobicContact CG-CE1 4.1Å; K425-F503 HydrophobicContact CG-CE2 4.46Å; K425-F503 HydrophobicContact CG-CZ 4.06Å; F428-F503 HydrophobicContact CD2-CE1 4.46Å; L478-F503 HydrophobicContact CD1-CE1 4.24Å; L482-F503 HydrophobicContact CD1-CD1 4.48Å; L482-F503 HydrophobicContact CD1-CD2 4.14Å; L482-F503 HydrophobicContact CD1-CE2 4.38Å; L482-F503 HydrophobicContact CD1-CG 4.18Å; L482-F503 HydrophobicContact CD2-CD2 3.91Å; L482-F503 HydrophobicContact CD2-CE2 3.47Å; L482-F503 VanDerWaalsContact CD2-CE2 3.47Å; L482-F503 HydrophobicContact CD2-CZ 3.92Å; L499-F503 WeakPolarHBondContact O-CB 3.38Å; L499-F503 PolarHBondContact O-N 3.01Å; F503-S506 CarbonylContact O-C 3.52Å; F503-S506 WeakPolarHBondContact O-CA 3.4Å; F503-S506 PolarHBondContact O-N 3.36Å; F503-L507 HydrophobicContact CB-CD1 3.9Å; F503-L507 HydrophobicContact CB-CG 4.26Å; F503-L507 HydrophobicContact CD1-CD1 4.12Å; F503-L507 HydrophobicContact CD1-CD2 4.42Å; F503-L507 HydrophobicContact CD1-CG 4.17Å; F503-L507 HydrophobicContact CG-CD1 4.43Å; F503-L507 WeakPolarHBondContact O-CG 3.28Å; F503-L507 PolarHBondContact O-N 3.15Å
504G91.7Very high89.2Confident0 Ų042.6 Ų42.60%025%0.246CC..Hα-helixtrans-51.3-56.2-175.400000113.8A500 S506 L507 M508A500-G504 VanDerWaalsContact O-CA 3.28Å; A500-G504 WeakPolarHBondContact O-CA 3.45Å; A500-G504 PolarHBondContact O-N 2.97Å; G504-S506 PolarHBondContact O-N 3.21Å; G504-L507 PolarHBondContact O-N 3.5Å; G504-M508 PolarHBondContact O-N 3.05Å
505P89.5Confident88.5Confident61 Ų6147.3 Ų47.340%0.39627%0.271SS..Hα-helixtrans-62.1-25.3176.8-21.531.6000114.4I501I501-P505 WeakPolarHBondContact O-CD 3.19Å
506S89.3Confident87.7Confident18 Ų1851.1 Ų51.113%0.12629%0.287CS..Hα-helixtrans-85.9-25.4-178.3-56.80000112.6F428 R429 F503 G504F428-S506 CarbonylContact C-O 3.55Å; R429-S506 WeakPolarHBondContact CA-O 3.31Å; R429-S506 PolarHBondContact N-O 2.94Å; F503-S506 CarbonylContact O-C 3.52Å; F503-S506 WeakPolarHBondContact O-CA 3.4Å; F503-S506 PolarHBondContact O-N 3.36Å; G504-S506 PolarHBondContact O-N 3.21Å
507L92Very high87Confident2 Ų255.4 Ų55.41%0.0131%0.312CS..Hα-helixtrans-97-33.7-177.6-65.4-180000112.8F428 L435 F436 L478 F479 F503 G504 I527F428-L507 HydrophobicContact CB-CD2 3.81Å; F428-L507 HydrophobicContact CD1-CD2 4.07Å; F428-L507 HydrophobicContact CD2-CD2 4.3Å; F428-L507 HydrophobicContact CG-CD2 3.81Å; L435-L507 HydrophobicContact CB-CD2 4.39Å; L435-L507 HydrophobicContact CD2-CD2 3.81Å; F436-L507 HydrophobicContact CD2-CB 3.91Å; F436-L507 WeakPolarHBondContact CD2-O 3.47Å; F436-L507 HydrophobicContact CE2-CB 3.97Å; F436-L507 HydrophobicContact CE2-CD1 4.32Å; F436-L507 PolarHBondContact N-O 2.99Å; L478-L507 HydrophobicContact CD2-CD1 4.11Å; L478-L507 HydrophobicContact CD2-CD2 3.81Å; F479-L507 HydrophobicContact CE1-CD1 4.46Å; F479-L507 HydrophobicContact CE2-CD1 4.48Å; F479-L507 HydrophobicContact CZ-CD1 3.83Å; F503-L507 HydrophobicContact CB-CD1 3.9Å; F503-L507 HydrophobicContact CB-CG 4.26Å; F503-L507 HydrophobicContact CD1-CD1 4.12Å; F503-L507 HydrophobicContact CD1-CD2 4.42Å; F503-L507 HydrophobicContact CD1-CG 4.17Å; F503-L507 HydrophobicContact CG-CD1 4.43Å; F503-L507 WeakPolarHBondContact O-CG 3.28Å; F503-L507 PolarHBondContact O-N 3.15Å; G504-L507 PolarHBondContact O-N 3.5Å; L507-I527 HydrophobicContact CB-CD1 4.39Å; L507-I527 HydrophobicContact CD1-CD1 4.18Å
508M88.6Confident86.3Confident3 Ų353.3 Ų53.32%0.01531%0.313CS..  trans-140.6112.1-174.8-176.5-178.1-7600110.9F436 F441 L444 G504 V523 L526F436-M508 HydrophobicContact CB-CB 4.11Å; F436-M508 HydrophobicContact CB-CE 3.5Å; F436-M508 HydrophobicContact CB-CG 4.21Å; F436-M508 HydrophobicContact CD1-CE 3.57Å; F436-M508 HydrophobicContact CD2-CB 4.45Å; F436-M508 HydrophobicContact CD2-CE 4.44Å; F436-M508 HydrophobicContact CE1-CE 4.38Å; F436-M508 HydrophobicContact CG-CB 4.45Å; F436-M508 HydrophobicContact CG-CE 3.59Å; F441-M508 HydrophobicContact CD2-CG 3.76Å; F441-M508 HydrophobicContact CD2-SD 3.55Å; F441-M508 VanDerWaalsContact CD2-SD 3.55Å; F441-M508 HydrophobicContact CE2-CG 3.95Å; F441-M508 HydrophobicContact CE2-SD 3.69Å; L444-M508 HydrophobicContact CB-CE 4.39Å; L444-M508 HydrophobicContact CD1-CE 3.41Å; L444-M508 VanDerWaalsContact CD1-CE 3.41Å; G504-M508 PolarHBondContact O-N 3.05Å; M508-V523 HydrophobicContact CB-CG1 4.15Å; M508-V523 HydrophobicContact SD-CG1 4.28Å; M508-V523 HydrophobicContact SD-CG2 3.96Å; M508-L526 HydrophobicContact CE-CD2 3.57Å; M508-L526 HydrophobicContact SD-CD2 4Å
509S84Confident85.8Confident67 Ų6751.9 Ų51.947%0.46931%0.307SS..PPolyproline II helixtrans-86.5135174.5-54.90000111P511S509-P511 WeakPolarHBondContact O-CD 3.39Å
510V82.9Confident85.4Confident28 Ų2854 Ų5417%0.1732%0.316CS..PPolyproline II helixtrans-65.9126.6173.5-177.50000109.6F441 H514 C519 V523F441-V510 HydrophobicContact CZ-CB 4.47Å; F441-V510 HydrophobicContact CZ-CG1 4.22Å; F441-V510 HydrophobicContact CZ-CG2 4.34Å; V510-H514 HydrophobicContact CG1-CB 3.93Å; V510-C519 HydrophobicContact CG1-CB 3.76Å; V510-C519 HydrophobicContact CG2-CB 3.91Å; V510-V523 HydrophobicContact CG2-CG2 4.48Å
511P81.5Confident85Confident21 Ų2157 Ų5714%0.13634%0.341CS..PPolyproline II helixtrans-61.5152.1177.2-23.934.3000113.8F441 S509 G513F441-P511 HydrophobicContact CB-CG 4.09Å; F441-P511 HydrophobicContact CD1-CG 3.72Å; F441-P511 HydrophobicContact CD2-CG 4.3Å; F441-P511 HydrophobicContact CE1-CG 4.21Å; F441-P511 HydrophobicContact CG-CG 3.77Å; S509-P511 WeakPolarHBondContact O-CD 3.39Å; P511-G513 PolarHBondContact O-N 3.35Å
512E72.7Confident84.9Confident184 Ų18456.7 Ų56.786%0.8634%0.338SS*.THydrogen-bonded Turntrans-62.1131.5177.4-69.3172.4-15900110.9
513G69.6Low84.8Confident83 Ų8355.4 Ų55.486%0.85633%0.33SS*.THydrogen-bonded Turntrans103.31.9-179.200000115.8P511P511-G513 PolarHBondContact O-N 3.35Å
514H77.6Confident84.7Confident85 Ų8556.2 Ų56.239%0.39433%0.334SS..SBendtrans-110.7152.3174.9-7357.4000111.7H442 V510 Q516H442-H514 AromaticContact CE1-CE1 3.55Å; H442-H514 AromaticContact CE1-NE2 3.29Å; H442-H514 PolarHBondContact CE1-NE2 3.42Å; H442-H514 VanDerWaalsContact CE1-NE2 3.29Å; V510-H514 HydrophobicContact CG1-CB 3.93Å; H514-Q516 PolarHBondContact O-N 2.92Å; H514-Q516 VanDerWaalsContact O-N 3.15Å
515D81.3Confident84.7Confident100 Ų10058.7 Ų58.754%0.53535%0.346SS..  trans-67.5111.5175.3175.944.9000110.6V517 S518 C519D515-V517 VanDerWaalsContact C-N 3.26Å; D515-V517 PolarHBondContact O-N 3.27Å; D515-S518 PolarHBondContact O-N 3.38Å; D515-S518 WeakPolarHBondContact OD2-CB 3.31Å; D515-S518 PolarHBondContact OD2-N 2.96Å; D515-C519 WeakPolarHBondContact O-CB 3.43Å; D515-C519 PolarHBondContact O-N 3.1Å; D515-C519 PolarHBondContact O-SG 3.34Å
516Q79.3Confident84.9Confident144 Ų14455.8 Ų55.867%0.67333%0.327SS*.Hα-helixtrans-61.6-35.2-172.5-165.7171.425.400112.1H514 Q520H514-Q516 PolarHBondContact O-N 2.92Å; H514-Q516 VanDerWaalsContact O-N 3.15Å; Q516-Q520 VanDerWaalsContact O-CB 3.31Å; Q516-Q520 WeakPolarHBondContact O-CB 3.36Å; Q516-Q520 PolarHBondContact O-N 2.85Å; Q516-Q520 VanDerWaalsContact O-N 3.17Å
517V79.9Confident85.2Confident120 Ų12055 Ų5573%0.72732%0.321SS*.Hα-helixtrans-74.2-47.7-175.9-177.60000111.2D515 Q520D515-V517 VanDerWaalsContact C-N 3.26Å; D515-V517 PolarHBondContact O-N 3.27Å; V517-Q520 PolarHBondContact O-N 2.68Å
518S79.7Confident85.4Confident61 Ų6157.6 Ų57.643%0.42733%0.332SS..Hα-helixtrans-67.6-41.5178.3-178.90000112.6D515 Q520 A521 H522D515-S518 PolarHBondContact O-N 3.38Å; D515-S518 WeakPolarHBondContact OD2-CB 3.31Å; D515-S518 PolarHBondContact OD2-N 2.96Å; S518-Q520 VanDerWaalsContact C-N 3.32Å; S518-Q520 PolarHBondContact O-N 3.34Å; S518-A521 PolarHBondContact O-N 2.92Å; S518-H522 PolarHBondContact O-ND1 3.37Å
519C85.3Confident85.7Confident16 Ų1657.5 Ų57.511%0.10833%0.332CS..Hα-helixtrans-67.6-32178.9-71.80000112.5F441 V510 D515 A521 H522 V523F441-C519 HydrophobicContact CZ-CB 4.42Å; V510-C519 HydrophobicContact CG1-CB 3.76Å; V510-C519 HydrophobicContact CG2-CB 3.91Å; D515-C519 WeakPolarHBondContact O-CB 3.43Å; D515-C519 PolarHBondContact O-N 3.1Å; D515-C519 PolarHBondContact O-SG 3.34Å; C519-A521 VanDerWaalsContact C-N 3.32Å; C519-A521 PolarHBondContact O-N 3.37Å; C519-H522 PolarHBondContact O-N 2.87Å; C519-V523 WeakPolarHBondContact O-CG2 3.36Å; C519-V523 PolarHBondContact O-N 3.43Å
520Q88.2Confident86.3Confident43 Ų4354.3 Ų54.320%0.20131%0.309CS..Hα-helixtrans-63.5-36.6180-167.16251.300112.6Q516 V517 S518 H522 V523 N524Q516-Q520 VanDerWaalsContact O-CB 3.31Å; Q516-Q520 WeakPolarHBondContact O-CB 3.36Å; Q516-Q520 PolarHBondContact O-N 2.85Å; Q516-Q520 VanDerWaalsContact O-N 3.17Å; V517-Q520 PolarHBondContact O-N 2.68Å; S518-Q520 VanDerWaalsContact C-N 3.32Å; S518-Q520 PolarHBondContact O-N 3.34Å; Q520-H522 VanDerWaalsContact C-N 3.32Å; Q520-H522 PolarHBondContact O-N 2.93Å; Q520-V523 PolarHBondContact O-N 2.88Å; Q520-N524 PolarHBondContact NE2-OD1 3.49Å; Q520-N524 PolarHBondContact O-N 3.28Å; Q520-N524 PolarHBondContact O-ND2 2.95Å; Q520-N524 PolarHBondContact O-OD1 3.11Å
521A88.6Confident86.9Confident63 Ų6353 Ų5352%0.52130%0.301SS..Hα-helixtrans-61.4-41.3175.400000111.9S518 C519 N524 E525S518-A521 PolarHBondContact O-N 2.92Å; C519-A521 VanDerWaalsContact C-N 3.32Å; C519-A521 PolarHBondContact O-N 3.37Å; A521-N524 PolarHBondContact O-N 2.95Å; A521-E525 PolarHBondContact O-N 3.49Å
522H90.9Very high87.5Confident65 Ų6555 Ų5530%0.30131%0.311SS..Hα-helixtrans-68.9-39176.7-63.886.9000112.2I445 V448 S518 C519 Q520 E525 L526I445-H522 HydrophobicContact CD1-CB 3.88Å; I445-H522 HydrophobicContact CG2-CB 4.12Å; V448-H522 HydrophobicContact CG1-CB 4.43Å; S518-H522 PolarHBondContact O-ND1 3.37Å; C519-H522 PolarHBondContact O-N 2.87Å; Q520-H522 VanDerWaalsContact C-N 3.32Å; Q520-H522 PolarHBondContact O-N 2.93Å; H522-E525 PolarHBondContact O-N 2.96Å; H522-L526 WeakPolarHBondContact O-CB 3.48Å; H522-L526 PolarHBondContact O-N 2.92Å
523V92.3Very high88.6Confident0 Ų047.3 Ų47.30%027%0.274CS..Hα-helixtrans-60.9-45.4173.6172.60000110.6F441 I445 M508 V510 C519 Q520 E525 L526 I527F441-V523 HydrophobicContact CE2-CG2 3.88Å; F441-V523 HydrophobicContact CZ-CG2 4.28Å; I445-V523 HydrophobicContact CD1-CG2 3.95Å; M508-V523 HydrophobicContact CB-CG1 4.15Å; M508-V523 HydrophobicContact SD-CG1 4.28Å; M508-V523 HydrophobicContact SD-CG2 3.96Å; V510-V523 HydrophobicContact CG2-CG2 4.48Å; C519-V523 WeakPolarHBondContact O-CG2 3.36Å; C519-V523 PolarHBondContact O-N 3.43Å; Q520-V523 PolarHBondContact O-N 2.88Å; V523-E525 PolarHBondContact O-N 3.5Å; V523-L526 WeakPolarHBondContact O-CB 3.36Å; V523-L526 PolarHBondContact O-N 3.24Å; V523-I527 HydrophobicContact CG1-CG1 4.32Å; V523-I527 VanDerWaalsContact O-CG1 3.28Å; V523-I527 WeakPolarHBondContact O-CG1 3.29Å; V523-I527 PolarHBondContact O-N 3.44Å
524N93Very high89.7Confident17 Ų1744.3 Ų44.39%0.09124%0.238CC..Hα-helixtrans-63.2-42179.2-63.3-9.3000111.3A500 Q520 A521 I527 K528A500-N524 VanDerWaalsContact CB-O 3.26Å; A500-N524 WeakPolarHBondContact CB-O 3.45Å; Q520-N524 PolarHBondContact NE2-OD1 3.49Å; Q520-N524 PolarHBondContact O-N 3.28Å; Q520-N524 PolarHBondContact O-ND2 2.95Å; Q520-N524 PolarHBondContact O-OD1 3.11Å; A521-N524 PolarHBondContact O-N 2.95Å; N524-I527 PolarHBondContact O-N 3.33Å; N524-K528 WeakPolarHBondContact O-CB 3.28Å; N524-K528 PolarHBondContact O-N 3.33Å
525E92.5Very high90.4Very high52 Ų5246.4 Ų46.424%0.24325%0.248CC..Hα-helixtrans-68-35177.3-175.160-159.600112.7V448 R456 A521 H522 V523 K528 T529V448-E525 HydrophobicContact CG1-CB 3.91Å; V448-E525 HydrophobicContact CG1-CG 3.76Å; R456-E525 IonicContact NH1-OE1 2.75Å; R456-E525 PolarHBondContact NH1-OE1 3.39Å; R456-E525 VanDerWaalsContact NH1-OE1 3.14Å; A521-E525 PolarHBondContact O-N 3.49Å; H522-E525 PolarHBondContact O-N 2.96Å; V523-E525 PolarHBondContact O-N 3.5Å; E525-K528 IonicContact OE1-NZ 2.81Å; E525-K528 IonicContact OE2-NZ 3.58Å; E525-K528 PolarHBondContact OE2-NZ 2.99Å; E525-T529 WeakPolarHBondContact O-CB 3.32Å; E525-T529 PolarHBondContact O-N 3.29Å; E525-T529 PolarHBondContact O-OG1 2.87Å
526L94.5Very high90.8Very high0 Ų045.6 Ų45.60%024%0.244CC..Hα-helixtrans-62.1-53.1171.9176.769.2000111.2L444 V448 I460 M508 H522 V523 K528 T529 I530L444-L526 HydrophobicContact CB-CD1 4.42Å; L444-L526 HydrophobicContact CB-CD2 3.73Å; L444-L526 HydrophobicContact CD1-CD2 4.26Å; L444-L526 HydrophobicContact CG-CD2 4.45Å; V448-L526 HydrophobicContact CG2-CB 3.77Å; V448-L526 HydrophobicContact CG2-CD1 4.27Å; I460-L526 HydrophobicContact CD1-CD1 3.6Å; I460-L526 HydrophobicContact CG1-CD1 3.92Å; M508-L526 HydrophobicContact CE-CD2 3.57Å; M508-L526 HydrophobicContact SD-CD2 4Å; H522-L526 WeakPolarHBondContact O-CB 3.48Å; H522-L526 PolarHBondContact O-N 2.92Å; V523-L526 WeakPolarHBondContact O-CB 3.36Å; V523-L526 PolarHBondContact O-N 3.24Å; L526-K528 VanDerWaalsContact C-N 3.31Å; L526-K528 PolarHBondContact O-N 2.96Å; L526-T529 WeakPolarHBondContact O-CB 3.4Å; L526-T529 PolarHBondContact O-N 3.49Å; L526-T529 VanDerWaalsContact O-N 3.09Å; L526-I530 HydrophobicContact CD1-CD1 4.27Å; L526-I530 HydrophobicContact CG-CD1 4.07Å; L526-I530 WeakPolarHBondContact O-CG1 3.39Å; L526-I530 PolarHBondContact O-N 2.95Å
527I95.9Very high91.5Very high0 Ų038.9 Ų38.90%021%0.212CC..Hα-helixtrans-62.9-40.4-177.9-64.8-66.2000110.6F436 F479 A500 L507 V523 N524 T529 I530 I531F436-I527 HydrophobicContact CE2-CD1 3.86Å; F436-I527 HydrophobicContact CZ-CD1 4Å; F479-I527 HydrophobicContact CE1-CG2 4.09Å; F479-I527 HydrophobicContact CZ-CD1 4.07Å; A500-I527 HydrophobicContact CB-CB 3.98Å; A500-I527 HydrophobicContact CB-CG2 3.8Å; L507-I527 HydrophobicContact CB-CD1 4.39Å; L507-I527 HydrophobicContact CD1-CD1 4.18Å; V523-I527 HydrophobicContact CG1-CG1 4.32Å; V523-I527 VanDerWaalsContact O-CG1 3.28Å; V523-I527 WeakPolarHBondContact O-CG1 3.29Å; V523-I527 PolarHBondContact O-N 3.44Å; N524-I527 PolarHBondContact O-N 3.33Å; I527-T529 PolarHBondContact O-N 3.3Å; I527-I530 HydrophobicContact CD1-CD1 4.48Å; I527-I530 PolarHBondContact O-N 2.78Å; I527-I530 VanDerWaalsContact O-N 3.15Å; I527-I531 HydrophobicContact CG2-CD1 4.08Å; I527-I531 WeakPolarHBondContact O-CG1 3.44Å; I527-I531 PolarHBondContact O-N 3.32Å
528K95.3Very high92.2Very high57 Ų5733.5 Ų33.525%0.24818%0.179CC..Hα-helixtrans-57.7-45.9171.4173.3-176.5162.8-159.80112P496 Y497 A500 N524 E525 L526 I530 I531 I532P496-K528 HydrophobicContact CB-CG 4.34Å; Y497-K528 HydrophobicContact CD2-CD 3.91Å; Y497-K528 HydrophobicContact CG-CD 4.46Å; A500-K528 HydrophobicContact CB-CB 3.87Å; N524-K528 WeakPolarHBondContact O-CB 3.28Å; N524-K528 PolarHBondContact O-N 3.33Å; E525-K528 IonicContact OE1-NZ 2.81Å; E525-K528 IonicContact OE2-NZ 3.58Å; E525-K528 PolarHBondContact OE2-NZ 2.99Å; L526-K528 VanDerWaalsContact C-N 3.31Å; L526-K528 PolarHBondContact O-N 2.96Å; K528-I530 VanDerWaalsContact C-N 3.28Å; K528-I530 PolarHBondContact O-N 3.26Å; K528-I531 PolarHBondContact O-N 2.92Å; K528-I532 HydrophobicContact CG-CD1 3.84Å; K528-I532 WeakPolarHBondContact O-CG1 3.28Å; K528-I532 PolarHBondContact O-N 3.45Å
529T94.7Very high92.6Very high1 Ų131 Ų311%0.00616%0.162CC..Hα-helixtrans-58.2-43175.8-59.50000110.7L453 R456 I460 E525 L526 I527 I532 Q533L453-T529 HydrophobicContact CD1-CG2 3.81Å; R456-T529 HydrophobicContact CG-CG2 4.17Å; R456-T529 PolarHBondContact NH1-OG1 2.97Å; I460-T529 HydrophobicContact CD1-CG2 3.72Å; E525-T529 WeakPolarHBondContact O-CB 3.32Å; E525-T529 PolarHBondContact O-N 3.29Å; E525-T529 PolarHBondContact O-OG1 2.87Å; L526-T529 WeakPolarHBondContact O-CB 3.4Å; L526-T529 PolarHBondContact O-N 3.49Å; L526-T529 VanDerWaalsContact O-N 3.09Å; I527-T529 PolarHBondContact O-N 3.3Å; T529-I532 PolarHBondContact O-N 3.26Å; T529-Q533 WeakPolarHBondContact O-CB 3.43Å; T529-Q533 PolarHBondContact O-N 3.17Å
530I96.1Very high92.5Very high0 Ų034.8 Ų34.80%018%0.181CC..Hα-helixtrans-66.5-39.7179.3-60.7169.9000111.7F436 I460 F479 L526 I527 K528 H534 I537 F538F436-I530 HydrophobicContact CE1-CD1 3.75Å; F436-I530 HydrophobicContact CZ-CD1 3.73Å; I460-I530 HydrophobicContact CG2-CD1 4.26Å; I460-I530 HydrophobicContact CG2-CG1 4.08Å; F479-I530 HydrophobicContact CB-CG2 4.33Å; F479-I530 HydrophobicContact CD1-CB 4.11Å; F479-I530 HydrophobicContact CD1-CG2 3.51Å; F479-I530 HydrophobicContact CD2-CG2 3.68Å; F479-I530 HydrophobicContact CE1-CB 3.86Å; F479-I530 HydrophobicContact CE1-CG2 3.56Å; F479-I530 HydrophobicContact CE2-CG2 3.75Å; F479-I530 HydrophobicContact CG-CG2 3.57Å; F479-I530 HydrophobicContact CZ-CB 4.18Å; F479-I530 HydrophobicContact CZ-CG2 3.69Å; L526-I530 HydrophobicContact CD1-CD1 4.27Å; L526-I530 HydrophobicContact CG-CD1 4.07Å; L526-I530 WeakPolarHBondContact O-CG1 3.39Å; L526-I530 PolarHBondContact O-N 2.95Å; I527-I530 HydrophobicContact CD1-CD1 4.48Å; I527-I530 PolarHBondContact O-N 2.78Å; I527-I530 VanDerWaalsContact O-N 3.15Å; K528-I530 VanDerWaalsContact C-N 3.28Å; K528-I530 PolarHBondContact O-N 3.26Å; I530-H534 VanDerWaalsContact O-CA 3.28Å; I530-H534 WeakPolarHBondContact O-CA 3.16Å; I530-H534 VanDerWaalsContact O-CB 3.29Å; I530-H534 WeakPolarHBondContact O-CB 3.38Å; I530-H534 PolarHBondContact O-N 3.49Å; I530-H534 VanDerWaalsContact O-N 3.07Å; I530-I537 HydrophobicContact CB-CD1 4.31Å; I530-I537 HydrophobicContact CG1-CD1 4.1Å; I530-I537 HydrophobicContact CG2-CD1 4.48Å; I530-F538 HydrophobicContact CG2-CE2 3.6Å; I530-F538 HydrophobicContact CG2-CZ 3.72Å
531I96.1Very high92Very high0 Ų036 Ų360%019%0.192CC..Hα-helixtrans-62.2-45.9175.3-66.7165.7000110.9F479 L482 N483 P496 L499 A500 I527 K528 H534F479-I531 HydrophobicContact CD1-CG1 3.65Å; F479-I531 HydrophobicContact CE1-CG1 3.87Å; L482-I531 HydrophobicContact CB-CD1 4.41Å; L482-I531 HydrophobicContact CB-CG1 4.14Å; L482-I531 HydrophobicContact CB-CG2 4.4Å; L482-I531 HydrophobicContact CD1-CD1 4.31Å; L482-I531 HydrophobicContact CD1-CG1 4.31Å; N483-I531 HydrophobicContact CB-CG2 4.41Å; N483-I531 PolarHBondContact ND2-O 2.91Å; P496-I531 HydrophobicContact CB-CG2 4.09Å; L499-I531 HydrophobicContact CB-CD1 4.07Å; A500-I531 HydrophobicContact CB-CD1 4.37Å; I527-I531 HydrophobicContact CG2-CD1 4.08Å; I527-I531 WeakPolarHBondContact O-CG1 3.44Å; I527-I531 PolarHBondContact O-N 3.32Å; K528-I531 PolarHBondContact O-N 2.92Å; I531-H534 PolarHBondContact O-CD2 3.33Å
532I94.8Very high91.5Very high65 Ų6544.8 Ų44.833%0.33321%0.212SC..Hα-helixtrans-72.2-42-176.3-64.1169.6000111.4L453 P496 K528 T529L453-I532 HydrophobicContact CD2-CG2 4.31Å; P496-I532 HydrophobicContact CB-CD1 4.25Å; P496-I532 HydrophobicContact CB-CG1 3.94Å; P496-I532 HydrophobicContact CG-CG1 4.17Å; K528-I532 HydrophobicContact CG-CD1 3.84Å; K528-I532 WeakPolarHBondContact O-CG1 3.28Å; K528-I532 PolarHBondContact O-N 3.45Å; T529-I532 PolarHBondContact O-N 3.26Å
533Q94.2Very high91.1Very high21 Ų2147.3 Ų47.310%0.09822%0.224CC..THydrogen-bonded Turntrans-104.325.2-173-63.4-65.7-38.300113L453 A457 T529 E535 N536 I537L453-Q533 HydrophobicContact CD2-CG 4.03Å; L453-Q533 HydrophobicContact CG-CG 3.96Å; A457-Q533 HydrophobicContact CB-CB 3.85Å; A457-Q533 HydrophobicContact CB-CG 4.14Å; T529-Q533 WeakPolarHBondContact O-CB 3.43Å; T529-Q533 PolarHBondContact O-N 3.17Å; Q533-E535 PolarHBondContact O-N 2.95Å; Q533-E535 VanDerWaalsContact O-N 3.17Å; Q533-N536 PolarHBondContact O-N 3.41Å; Q533-N536 PolarHBondContact OE1-ND2 3.43Å; Q533-I537 HydrophobicContact CB-CD1 3.81Å; Q533-I537 HydrophobicContact CB-CG1 4.25Å; Q533-I537 WeakPolarHBondContact O-CG1 3.46Å; Q533-I537 PolarHBondContact O-N 3.47Å
534H93.8Very high90.8Very high20 Ų2047.9 Ų47.99%0.09323%0.227CC..Hα-helixtrans-57.3-35.5-173.176.190.6000113.2F479 N483 I530 I531 N536 I537 F538F479-H534 HydrophobicContact CB-CB 4.06Å; N483-H534 VanDerWaalsContact CB-CD2 3.4Å; N483-H534 WeakPolarHBondContact CB-CD2 3.4Å; N483-H534 VanDerWaalsContact CG-CD2 3.46Å; I530-H534 VanDerWaalsContact O-CA 3.28Å; I530-H534 WeakPolarHBondContact O-CA 3.16Å; I530-H534 VanDerWaalsContact O-CB 3.29Å; I530-H534 WeakPolarHBondContact O-CB 3.38Å; I530-H534 PolarHBondContact O-N 3.49Å; I530-H534 VanDerWaalsContact O-N 3.07Å; I531-H534 PolarHBondContact O-CD2 3.33Å; H534-N536 VanDerWaalsContact C-N 3.34Å; H534-N536 PolarHBondContact O-N 2.88Å; H534-I537 PolarHBondContact O-N 2.87Å; H534-F538 HydrophobicContact CB-CD2 4.13Å; H534-F538 HydrophobicContact CB-CE2 4.34Å; H534-F538 WeakPolarHBondContact O-CD2 3.43Å; H534-F538 PolarHBondContact O-N 2.92Å
535E91.2Very high90.2Very high129 Ų12955.6 Ų55.660%0.60326%0.262SS*.Hα-helixtrans-67.4-32.5177.2-60.6-169.4156.900113Q533Q533-E535 PolarHBondContact O-N 2.95Å; Q533-E535 VanDerWaalsContact O-N 3.17Å
536N91.6Very high89.7Confident84 Ų8454.7 Ų54.745%0.44927%0.268SS..Hα-helixtrans-85.9-22.7178.8-69.1-35.8000112.4Q454 R461 Q533 H534Q454-N536 PolarHBondContact OE1-ND2 3.27Å; R461-N536 WeakPolarHBondContact CD-O 3.4Å; Q533-N536 PolarHBondContact O-N 3.41Å; Q533-N536 PolarHBondContact OE1-ND2 3.43Å; H534-N536 VanDerWaalsContact C-N 3.34Å; H534-N536 PolarHBondContact O-N 2.88Å
537I93.5Very high89.2Confident2 Ų257.2 Ų57.21%0.0128%0.284CS..Hα-helixtrans-88.6-45.6-177-70.4166.3000111.8A457 I460 R461 L464 I530 Q533 H534A457-I537 HydrophobicContact CB-CD1 4.18Å; A457-I537 HydrophobicContact CB-CG1 3.83Å; I460-I537 HydrophobicContact CB-CD1 4.49Å; I460-I537 HydrophobicContact CG2-CD1 4.21Å; I460-I537 HydrophobicContact CG2-CG1 4.43Å; I460-I537 HydrophobicContact CG2-CG2 3.92Å; R461-I537 WeakPolarHBondContact CB-O 3.47Å; R461-I537 WeakPolarHBondContact CD-O 3.35Å; R461-I537 WeakPolarHBondContact CG-O 3.3Å; L464-I537 HydrophobicContact CD1-CG2 3.7Å; I530-I537 HydrophobicContact CB-CD1 4.31Å; I530-I537 HydrophobicContact CG1-CD1 4.1Å; I530-I537 HydrophobicContact CG2-CD1 4.48Å; Q533-I537 HydrophobicContact CB-CD1 3.81Å; Q533-I537 HydrophobicContact CB-CG1 4.25Å; Q533-I537 WeakPolarHBondContact O-CG1 3.46Å; Q533-I537 PolarHBondContact O-N 3.47Å; H534-I537 PolarHBondContact O-N 2.87Å
538F93.5Very high88.8Confident7 Ų761.4 Ų61.43%0.03131%0.305CS..SBendtrans-93.6145.2-175.5-63.1-68.7000112.3L464 L472 M475 R476 F479 I530 H534L464-F538 HydrophobicContact CD1-CE1 3.83Å; L464-F538 HydrophobicContact CD1-CZ 4.09Å; L472-F538 HydrophobicContact CD2-CD1 4.41Å; L472-F538 HydrophobicContact CD2-CE1 4.49Å; M475-F538 HydrophobicContact CB-CD1 4.23Å; M475-F538 HydrophobicContact CB-CE1 3.43Å; M475-F538 VanDerWaalsContact CB-CE1 3.43Å; M475-F538 HydrophobicContact CB-CZ 3.67Å; M475-F538 HydrophobicContact CG-CE1 4.26Å; M475-F538 HydrophobicContact CG-CZ 4.5Å; M475-F538 HydrophobicContact SD-CE1 3.84Å; M475-F538 HydrophobicContact SD-CZ 4.33Å; R476-F538 HydrophobicContact CB-CB 3.99Å; R476-F538 HydrophobicContact CB-CD1 4.43Å; R476-F538 HydrophobicContact CB-CG 4.07Å; R476-F538 HydrophobicContact CG-CB 3.89Å; R476-F538 HydrophobicContact CG-CG 4.42Å; F479-F538 HydrophobicContact CB-CE2 3.79Å; F479-F538 AromaticContact CD2-CE2 3.76Å; F479-F538 HydrophobicContact CD2-CE2 3.76Å; F479-F538 AromaticContact CD2-CZ 3.67Å; F479-F538 HydrophobicContact CD2-CZ 3.67Å; F479-F538 HydrophobicContact CE2-CZ 4.26Å; F479-F538 AromaticContact CG-CE2 3.98Å; F479-F538 HydrophobicContact CG-CE2 3.98Å; F479-F538 HydrophobicContact CG-CZ 4.35Å; I530-F538 HydrophobicContact CG2-CE2 3.6Å; I530-F538 HydrophobicContact CG2-CZ 3.72Å; H534-F538 HydrophobicContact CB-CD2 4.13Å; H534-F538 HydrophobicContact CB-CE2 4.34Å; H534-F538 WeakPolarHBondContact O-CD2 3.43Å; H534-F538 PolarHBondContact O-N 2.92Å
539P87.9Confident88.5Confident9 Ų959.6 Ų59.66%0.05830%0.297CS..PPolyproline II helixtrans-61.1139.1179.1-22.933.8000113.1L465 R476 E543 L544L465-P539 HydrophobicContact CD2-CG 3.83Å; R476-P539 WeakPolarHBondContact CD-O 3.47Å; P539-E543 HydrophobicContact CB-CB 3.83Å; P539-L544 HydrophobicContact CB-CB 3.85Å; P539-L544 HydrophobicContact CG-CB 4.44Å; P539-L544 HydrophobicContact CG-CD2 4.44Å
540N83.1Confident87.9Confident95 Ų9564 Ų6451%0.50833%0.328SS..PPolyproline II helixtrans-62.9157.7174.7-77.2-36.4000111.1R542 E543 L544N540-R542 PolarHBondContact O-N 3.25Å; N540-E543 WeakPolarHBondContact O-CA 3.39Å; N540-E543 WeakPolarHBondContact O-CB 3.46Å; N540-E543 PolarHBondContact O-N 3.09Å; N540-L544 PolarHBondContact O-N 2.89Å
541P78.5Confident87.1Confident69 Ų6970.4 Ų70.445%0.44835%0.352SS..THydrogen-bonded Turntrans-57.6-18.5178.116.9-30.1000115.9I548P541-I548 HydrophobicContact CB-CD1 3.46Å; P541-I548 VanDerWaalsContact CB-CD1 3.46Å; P541-I548 HydrophobicContact CB-CG1 4.43Å; P541-I548 HydrophobicContact CG-CD1 3.58Å
542R78.7Confident85.1Confident248 Ų24873.7 Ų73.794%0.93639%0.386SS*.THydrogen-bonded Turntrans-75.3-24.7171-65.2-176.8-179.7169.20.8113.5N540N540-R542 PolarHBondContact O-N 3.25Å
543E82.2Confident82.4Confident118 Ų11873.9 Ų73.955%0.55140%0.404SS*.THydrogen-bonded Turntrans-97.1-31.5-178.2-62.7-179.6171.100112.1R461 P539 N540R461-E543 IonicContact NH2-OE1 3.14Å; R461-E543 IonicContact NH2-OE2 3.31Å; R461-E543 PolarHBondContact NH2-OE2 3.1Å; P539-E543 HydrophobicContact CB-CB 3.83Å; N540-E543 WeakPolarHBondContact O-CA 3.39Å; N540-E543 WeakPolarHBondContact O-CB 3.46Å; N540-E543 PolarHBondContact O-N 3.09Å
544L85.5Confident79.3Confident12 Ų1277.2 Ų77.26%0.06343%0.43CS..SBendtrans-137.2106.3178.4-174.765.6000110.7K469 L472 I473 R476 P539 N540K469-L544 HydrophobicContact CB-CD1 4.01Å; K469-L544 HydrophobicContact CD-CD1 3.96Å; K469-L544 HydrophobicContact CG-CD1 3.88Å; L472-L544 HydrophobicContact CB-CD2 3.84Å; I473-L544 HydrophobicContact CG1-CD2 3.91Å; I473-L544 HydrophobicContact CG1-CG 4.11Å; R476-L544 PolarHBondContact NH1-O 3Å; P539-L544 HydrophobicContact CB-CB 3.85Å; P539-L544 HydrophobicContact CG-CB 4.44Å; P539-L544 HydrophobicContact CG-CD2 4.44Å; N540-L544 PolarHBondContact O-N 2.89Å
545E81.3Confident76.3Confident178 Ų17885.9 Ų85.983%0.83247%0.473SS*.  trans-67.4136173.6-68.1-179.9179.400110.9I473I473-E545 WeakPolarHBondContact CD1-O 3.4Å
546G81.9Confident73.6Confident34 Ų3487.1 Ų87.135%0.35148%0.478SS..SBendtrans153.9169.4179.600000111.9R476R476-G546 PolarHBondContact NH2-O 3.42Å
547P84.4Confident70.6Confident53 Ų5390.9 Ų90.934%0.34450%0.499SS..  trans-60.2146.2-178.5-19.330.7000112.2A362 I363 R476A362-P547 VanDerWaalsContact CB-CD 3.46Å; A362-P547 HydrophobicContact CB-CG 3.82Å; I363-P547 HydrophobicContact CD1-CB 3.69Å; I363-P547 HydrophobicContact CD1-CG 4.1Å; I363-P547 HydrophobicContact CG1-CB 4.28Å; I363-P547 HydrophobicContact CG1-CG 4.13Å; R476-P547 PolarHBondContact NH2-O 3.5Å
548I85.9Confident67.5Low88 Ų88101.3 Ų101.345%0.45154%0.539SS..  trans-122.5141.1178.5-50.6171.7000107.2P541 S550P541-I548 HydrophobicContact CB-CD1 3.46Å; P541-I548 VanDerWaalsContact CB-CD1 3.46Å; P541-I548 HydrophobicContact CB-CG1 4.43Å; P541-I548 HydrophobicContact CG-CD1 3.58Å; I548-S550 PolarHBondContact O-N 2.95Å; I548-S550 VanDerWaalsContact O-N 3.16Å
549Y89Confident64.4Low19 Ų19106.1 Ų106.18%0.07557%0.573CS.*  trans-67.9111.6171.3175.5-107000109.3I371 S375 Y477 A480 F481 H484I371-Y549 HydrophobicContact CG2-CD2 3.92Å; I371-Y549 HydrophobicContact CG2-CE2 3.79Å; S375-Y549 PolarHBondContact OG-OH 3.41Å; Y477-Y549 VanDerWaalsContact CD2-N 3.3Å; Y477-Y549 HydrophobicContact CE1-CD2 4.5Å; Y477-Y549 VanDerWaalsContact CE2-CA 3.49Å; Y477-Y549 HydrophobicContact CE2-CD2 4.44Å; A480-Y549 HydrophobicContact CB-CD1 4.14Å; A480-Y549 HydrophobicContact CB-CG 4.49Å; F481-Y549 HydrophobicContact CB-CD1 4.35Å; F481-Y549 HydrophobicContact CB-CD2 4.12Å; F481-Y549 HydrophobicContact CB-CE1 4.25Å; F481-Y549 HydrophobicContact CB-CE2 4.05Å; F481-Y549 HydrophobicContact CB-CG 4.25Å; F481-Y549 AromaticContact CD2-CE2 3.94Å; F481-Y549 HydrophobicContact CD2-CE2 3.94Å; F481-Y549 AromaticContact CD2-CZ 3.83Å; F481-Y549 WeakPolarHBondContact CD2-OH 3.43Å; F481-Y549 HydrophobicContact CG-CE2 4.47Å; H484-Y549 HydrophobicContact CB-CE1 3.61Å; H484-Y549 AromaticContact CG-CE1 3.9Å; H484-Y549 AromaticContact ND1-CE1 3.5Å; H484-Y549 AromaticContact ND1-CZ 3.53Å; H484-Y549 PolarHBondContact ND1-OH 3.29Å
550S82.1Confident61.3Low93 Ų93113.1 Ų113.165%0.6561%0.61SS**  trans-91.6128.5170.952.80000109I548 G552I548-S550 PolarHBondContact O-N 2.95Å; I548-S550 VanDerWaalsContact O-N 3.16Å; S550-G552 PolarHBondContact O-N 3.25Å
551R80.1Confident58.6Low134 Ų134113.5 Ų113.551%0.50662%0.619SS.*  trans-60.7111.4167.6-56.7-177.8-170.8-177.20.3106.6G553R551-G553 PolarHBondContact O-N 3.1Å
552G53Low56.2Low70 Ų70115 Ų11572%0.72263%0.628SS**  trans-58115.7176.300000108.6S550S550-G552 PolarHBondContact O-N 3.25Å
553G39.3Very low53.9Low69 Ų69112.8 Ų112.871%0.71163%0.627SS**  trans-121117178.300000110R551R551-G553 PolarHBondContact O-N 3.1Å
554S28.5Very low51.2Low90 Ų90110.5 Ų110.563%0.62964%0.636SS**  174.9132.7103.859.70000110.4E556S554-E556 PolarHBondContact O-N 3.34Å; S554-E556 VanDerWaalsContact O-N 3.13Å
555M31.7Very low48.3Very low202 Ų202118.9 Ų118.9100%0.99568%0.675SS**SBendtrans-77.349.4159-175.1174.6175.100108.8
556E33.3Very low45.6Very low155 Ų155115.9 Ų115.972%0.72467%0.669SS**  trans-145.170.9179.9-70.7-174160.200108.7S554S554-E556 PolarHBondContact O-N 3.34Å; S554-E556 VanDerWaalsContact O-N 3.13Å
557D28.8Very low42.8Very low164 Ų164120.5 Ų120.588%0.87769%0.69SS**  trans-169.267155.5-98.3-22.1000109
558Y29Very low40Very low221 Ų221123.1 Ų123.187%0.86771%0.71SS**SBendtrans-143.6107.4152.4-147.4-99000109.7
559C27.2Very low37.2Very low108 Ų108122.9 Ų122.973%0.7372%0.721SS**  trans75.299.4165.1-65.40000119.2
560D23.9Very low34.3Very low156 Ų156131.2 Ų131.283%0.83476%0.76SS**  -133.8101.7125.2-167.33.8000110.5T562D560-T562 PolarHBondContact OD1-N 3.49Å
561S27.3Very low31.6Very low102 Ų102133.4 Ų133.471%0.71377%0.765SS**  trans-119.993.2150.770.40000107.8
562T26.2Very low28.9Very low102 Ų102130.8 Ų130.863%0.62677%0.767SS**  trans43.2121.2136.853.30000118.6D560D560-T562 PolarHBondContact OD1-N 3.49Å
563H31.7Very low27.6Very low200 Ų200133.4 Ų133.493%0.92677%0.769SS**  trans114109.8167.7-63.2-55.7000108.9
564G24.8Very low26.9Very low70 Ų70138.4 Ų138.472%0.72277%0.774SS**  cis138.4135.52600000106.3
565E24.7Very low26.6Very low189 Ų189141 Ų14188%0.88378%0.781SS**  trans90.495.2165.1-60.7-173.1158.800120.5
566T23.9Very low26.4Very low115 Ų115137 Ų13771%0.70677%0.768SS**  53.1131.6119.421.40000123.8
567T23.8Very low25.9Very low131 Ų131135.3 Ų135.380%0.80477%0.768SS**  trans72.7138147.658.40000117.2
568S26Very low25.9Very low108 Ų108131.4 Ų131.476%0.75576%0.758SS**  cis-173.51526.5370000109.7
569A27.1Very low25.8Very low83 Ų83128.9 Ų128.969%0.68675%0.754SS**  trans17.1134.8148.700000123.3
570E27.6Very low25.8Very low193 Ų193130.2 Ų130.290%0.90275%0.75SS**  trans64149.5142.2-64.8178.2-173.200118.2
571D25.4Very low26Very low140 Ų140132.4 Ų132.475%0.74976%0.755SS**  cis-171.9164.2-14.4176.334.1000104.8
572S23.6Very low25.9Very low78 Ų78131.9 Ų131.955%0.54575%0.747SS.*  trans62.5111.2156.128.30000123.4
573T25.6Very low25.9Very low125 Ų125132.6 Ų132.677%0.76776%0.756SS**  63.1133.4129.458.60000123.6
574Q24.3Very low25.9Very low175 Ų175129.8 Ų129.882%0.81875%0.748SS**  trans79.6105.4143.5-83.7177.9-9.400120
575D23.3Very low26.3Very low144 Ų144133.9 Ų133.977%0.7775%0.753SS**  75.9156.5118.2-123.9-15.8000120.9
576V25.9Very low27.1Very low118 Ų118133.6 Ų133.672%0.71575%0.752SS**  trans101.773.7167.6-163.80000116.2
577T24.8Very low28.2Very low120 Ų120132.6 Ų132.674%0.73675%0.749SS**  58.2151.4114.2630000122.7
578A27Very low30.2Very low81 Ų81133.8 Ų133.867%0.66975%0.745SS**  trans106122140.700000113.2
579E27.9Very low32.3Very low168 Ų168131.8 Ų131.879%0.78573%0.729SS**  cis-157.2130.116.5-68.7-168.5147.300109.8
580H26.9Very low35.2Very low136 Ų136130.3 Ų130.363%0.6371%0.71SS**  69.4107.7106-69.7-65.9000118.1T582H580-T582 HydrophobicContact CB-CG2 4.27Å; H580-T582 WeakPolarHBondContact ND1-CG2 3.42Å
581H27.3Very low38.2Very low203 Ų203126.2 Ų126.294%0.9469%0.69SS**  -113.3105.1120.9-84.8-131.5000107.7
582T26.3Very low41.3Very low90 Ų90119.6 Ų119.655%0.55266%0.655SS**  trans-75.4132.4173.444.90000111.4H580H580-T582 HydrophobicContact CB-CG2 4.27Å; H580-T582 WeakPolarHBondContact ND1-CG2 3.42Å
583S26.9Very low44.6Very low117 Ų117119 Ų11982%0.81865%0.645SS**  trans-135.791.9134.359.10000106.7D585S583-D585 PolarHBondContact O-N 2.74Å
584D30.4Very low47.8Very low142 Ų142113.1 Ų113.176%0.75961%0.609SS**  trans-60.6117.4162.2-73.6-34.5000107.8
585D33.7Very low51Low155 Ų155110 Ų11083%0.82959%0.593SS**  trans-126.593.6147.9-132.43.8000103.8S583 C587S583-D585 PolarHBondContact O-N 2.74Å; D585-C587 PolarHBondContact O-N 3.01Å
586E41.2Very low54.1Low184 Ų184107.6 Ų107.686%0.8658%0.576SS**  trans-61.691.3163-78.3-161.6154.200106.4E588E586-E588 PolarHBondContact O-N 3.24Å; E586-E588 VanDerWaalsContact O-N 3.09Å
587C46.7Very low57.2Low94 Ų94105.8 Ų105.864%0.63556%0.562SS**  trans-66.9111.5174.2-155.70000106.7D585D585-C587 PolarHBondContact O-N 3.01Å
588E65.9Low60.5Low156 Ų156101.2 Ų101.273%0.72953%0.532SS*.PPolyproline II helixtrans-51.3132.6176.5-72.9-172.5158.400109.3E586 I590E586-E588 PolarHBondContact O-N 3.24Å; E586-E588 VanDerWaalsContact O-N 3.09Å; E588-I590 PolarHBondContact O-N 3.01Å; E588-I590 VanDerWaalsContact O-N 3.13Å
589P71.4Confident63.6Low65 Ų65102.5 Ų102.542%0.42253%0.531SS..PPolyproline II helixtrans-61.5121.7-179.623.1-31.4000109.8E591 L615 L616 Y617P589-E591 PolarHBondContact O-N 3.44Å; P589-L615 HydrophobicContact CB-CD1 3.82Å; P589-L615 HydrophobicContact CB-CD2 3.73Å; P589-L615 HydrophobicContact CB-CG 3.61Å; P589-L615 HydrophobicContact CG-CD1 4.3Å; P589-L615 HydrophobicContact CG-CD2 4.19Å; P589-L615 HydrophobicContact CG-CG 4.41Å; P589-L616 CarbonylContact C-O 3.6Å; P589-L616 WeakPolarHBondContact CA-O 3.44Å; P589-Y617 HydrophobicContact CB-CD1 4.08Å; P589-Y617 HydrophobicContact CB-CE1 4.06Å
590I87.3Confident66.5Low53 Ų5395.4 Ų95.427%0.27250%0.503SS..EExtended strand (participates in β ladder)trans-78.9123.4-173.2-59.6172.2000109E588 L616 W625 V643E588-I590 PolarHBondContact O-N 3.01Å; E588-I590 VanDerWaalsContact O-N 3.13Å; I590-L616 HydrophobicContact CB-CB 4.24Å; I590-L616 HydrophobicContact CG2-CD1 4.49Å; I590-L616 PolarHBondContact N-O 2.91Å; I590-L616 PolarHBondContact O-N 3.27Å; I590-W625 HydrophobicContact CD1-CH2 4.12Å; I590-W625 HydrophobicContact CD1-CZ3 4.21Å; I590-V643 HydrophobicContact CG2-CB 4.4Å; I590-V643 HydrophobicContact CG2-CG1 3.34Å; I590-V643 HydrophobicContact CG2-CG2 4.39Å
591E90.8Very high69.3Low107 Ų10799.6 Ų99.650%0.551%0.513SS..EExtended strand (participates in β ladder)trans-76.2130.7173.5-69.3-168.5179.300111.3P589 L615 Q644P589-E591 PolarHBondContact O-N 3.44Å; E591-L615 HydrophobicContact CG-CD1 4.07Å; E591-Q644 PolarHBondContact O-N 2.92Å
592A91Very high72Confident1 Ų193.6 Ų93.61%0.00849%0.491CS..EExtended strand (participates in β ladder)trans-132.8150.7176.400000111.3L614 L616 I641 V642A592-L614 HydrophobicContact CB-CB 4.48Å; A592-L614 PolarHBondContact N-O 2.87Å; A592-L614 WeakPolarHBondContact O-CB 3.5Å; A592-L614 PolarHBondContact O-N 3.21Å; A592-L616 HydrophobicContact CB-CD1 3.75Å; A592-L616 HydrophobicContact CB-CD2 4.36Å; A592-L616 HydrophobicContact CB-CG 3.97Å; A592-I641 HydrophobicContact CB-CB 4.3Å; A592-I641 HydrophobicContact CB-CD1 4.1Å; A592-V642 CarbonylContact C-O 3.48Å; A592-V642 VanDerWaalsContact CA-O 3.27Å; A592-V642 WeakPolarHBondContact CA-O 3.28Å
593I92.1Very high74.5Confident65 Ų6594.9 Ų94.933%0.33351%0.511SS..EExtended strand (participates in β ladder)trans-111.8133.4175.3-64.3-174.6000109.9K595 A612 I641 V642I593-K595 PolarHBondContact O-N 2.71Å; I593-A612 WeakPolarHBondContact CA-O 3.45Å; I593-I641 CarbonylContact O-C 3.59Å; I593-I641 WeakPolarHBondContact O-CA 3.4Å; I593-V642 PolarHBondContact N-O 3.03Å; I593-V642 PolarHBondContact O-N 3.08Å
594A92.9Very high77.4Confident2 Ų298.7 Ų98.72%0.01751%0.507CS..EExtended strand (participates in β ladder)trans-61.6116.8172.400000111.8F608 K609 G611 A612 L614 Y640A594-F608 HydrophobicContact CB-CD2 3.43Å; A594-F608 VanDerWaalsContact CB-CD2 3.43Å; A594-F608 HydrophobicContact CB-CE2 3.71Å; A594-F608 HydrophobicContact CB-CG 4.48Å; A594-K609 VanDerWaalsContact CB-O 3.31Å; A594-K609 WeakPolarHBondContact CB-O 3.37Å; A594-G611 PolarHBondContact O-N 2.99Å; A594-A612 HydrophobicContact CB-CB 4.22Å; A594-A612 PolarHBondContact N-O 2.98Å; A594-L614 HydrophobicContact CB-CD1 4.09Å; A594-Y640 CarbonylContact C-O 3.57Å
595K91.7Very high80.3Confident108 Ų10893.3 Ų93.347%0.4748%0.478SS..SBendtrans-74.8-30.4175.5-170.3177174-176.50112.4I593 K610 Y640 V642I593-K595 PolarHBondContact O-N 2.71Å; K595-K610 VanDerWaalsContact O-CD 3.22Å; K595-K610 WeakPolarHBondContact O-CD 3.45Å; K595-K610 VanDerWaalsContact O-CE 3.22Å; K595-K610 WeakPolarHBondContact O-CE 3.5Å; K595-K610 VanDerWaalsContact O-CG 3.3Å; K595-K610 WeakPolarHBondContact O-CG 3.43Å; K595-Y640 WeakPolarHBondContact CB-O 3.35Å; K595-Y640 PolarHBondContact N-O 3.48Å; K595-V642 HydrophobicContact CB-CG2 4.22Å; K595-V642 HydrophobicContact CD-CG2 4.16Å; K595-V642 HydrophobicContact CG-CG2 4.42Å
596F87.9Confident83.1Confident94 Ų9486.7 Ų86.741%0.41244%0.442SS..SBendtrans-139.3161.2-177.4-54.6-69.5000110.6Y640F596-Y640 HydrophobicContact CB-CD1 3.82Å; F596-Y640 HydrophobicContact CB-CE1 4.23Å; F596-Y640 HydrophobicContact CD2-CD1 4.44Å
597D90.9Very high85.6Confident81 Ų8181.1 Ų81.143%0.43342%0.423SS..  trans-65.9138.8168.2-7713.7000109.6K609 K610D597-K609 HydrophobicContact CB-CD 4.4Å; D597-K609 VanDerWaalsContact CG-CD 3.46Å; D597-K609 WeakPolarHBondContact OD2-CD 3.42Å; D597-K609 IonicContact OD2-NZ 3.54Å; D597-K609 PolarHBondContact OD2-NZ 2.91Å; D597-K610 WeakPolarHBondContact OD1-CB 3.45Å; D597-K610 PolarHBondContact OD1-N 2.89Å
598Y93.7Very high87.9Confident24 Ų2477 Ų779%0.09439%0.394CS..BIsolated β-bridgetrans-136.5134176.9-173.8-105.8000111.2E605 L606 S607 F608 W624 P637 Y640Y598-E605 HydrophobicContact CE1-CB 4.39Å; Y598-E605 PolarHBondContact OH-OE2 3.19Å; Y598-L606 VanDerWaalsContact CD1-O 3.29Å; Y598-L606 WeakPolarHBondContact CD1-O 3.37Å; Y598-S607 CarbonylContact O-C 3.55Å; Y598-S607 WeakPolarHBondContact O-CA 3.48Å; Y598-F608 AromaticContact CD1-CE1 3.86Å; Y598-F608 HydrophobicContact CD1-CE1 3.86Å; Y598-F608 AromaticContact CD1-CZ 4Å; Y598-F608 HydrophobicContact CD1-CZ 4Å; Y598-F608 HydrophobicContact CG-CE1 4.36Å; Y598-F608 HydrophobicContact CG-CE2 4.45Å; Y598-F608 HydrophobicContact CG-CZ 4.06Å; Y598-F608 PolarHBondContact N-O 3.48Å; Y598-F608 PolarHBondContact O-N 3.33Å; Y598-F608 VanDerWaalsContact O-O 3.05Å; Y598-W624 WeakPolarHBondContact OH-CH2 3.42Å; Y598-P637 HydrophobicContact CD1-CG 3.79Å; Y598-P637 HydrophobicContact CD2-CG 3.8Å; Y598-P637 HydrophobicContact CE1-CG 3.7Å; Y598-P637 HydrophobicContact CE2-CG 3.72Å; Y598-P637 HydrophobicContact CG-CG 3.84Å; Y598-Y640 AromaticContact CD2-CD1 3.8Å; Y598-Y640 HydrophobicContact CD2-CD1 3.8Å; Y598-Y640 HydrophobicContact CD2-CD2 4.37Å; Y598-Y640 AromaticContact CD2-CE1 3.8Å; Y598-Y640 HydrophobicContact CD2-CE1 3.8Å; Y598-Y640 HydrophobicContact CD2-CE2 4.36Å; Y598-Y640 HydrophobicContact CD2-CG 4.11Å; Y598-Y640 HydrophobicContact CG-CD1 4.26Å
599V92.9Very high89.1Confident107 Ų10776 Ų7665%0.64839%0.388SS*.  trans-119.7115.3176.3-178.70000107.1
600G88.9Confident90.1Very high20 Ų2079.7 Ų79.721%0.20640%0.397CS..  trans-62134.9179.200000111.2S607G600-S607 PolarHBondContact N-OG 2.96Å
601R84.9Confident90.1Very high224 Ų22479.6 Ų79.685%0.84541%0.41SS*.SBendtrans-90.8-20.2179.8-60.8-178.4-177.7179.41.9112.1E605R601-E605 PolarHBondContact N-OE2 3.06Å
602T83.5Confident90.1Very high77 Ų7775.3 Ų75.347%0.47239%0.393SS..SBendtrans-124.4162.5177.666.20000111R604 E605T602-R604 PolarHBondContact O-N 3.45Å; T602-R604 VanDerWaalsContact O-N 3.14Å; T602-E605 WeakPolarHBondContact CB-OE1 3.49Å; T602-E605 WeakPolarHBondContact CG2-OE1 3.44Å; T602-E605 PolarHBondContact N-OE1 2.81Å; T602-E605 PolarHBondContact O-N 3.08Å; T602-E605 VanDerWaalsContact O-N 3.09Å; T602-E605 VanDerWaalsContact OG1-CD 3.27Å; T602-E605 VanDerWaalsContact OG1-CG 3.3Å; T602-E605 WeakPolarHBondContact OG1-CG 3.47Å; T602-E605 PolarHBondContact OG1-OE1 3.33Å
603A79.6Confident90.2Very high116 Ų11679 Ų7996%0.95942%0.418SS*.THydrogen-bonded Turntrans-64.5-16.2179.800000113.9
604R87.8Confident90.2Very high198 Ų19875.9 Ų75.975%0.74740%0.402SS*.THydrogen-bonded Turntrans-89.2-14.7176.4-66.4-172.1179.9-173.41.9112.9T602 G634 L635T602-R604 PolarHBondContact O-N 3.45Å; T602-R604 VanDerWaalsContact O-N 3.14Å; R604-G634 CarbonylContact O-C 3.56Å; R604-G634 VanDerWaalsContact O-CA 3.27Å; R604-G634 WeakPolarHBondContact O-CA 3.38Å; R604-L635 HydrophobicContact CB-CD1 4.46Å; R604-L635 PolarHBondContact O-N 3.03Å
605E92.5Very high90.2Very high29 Ų2978.1 Ų78.114%0.13641%0.413CS..BIsolated β-bridgetrans-90.2126.1-178-71.4163.9-133.400111.5Y598 R601 T602 W624Y598-E605 HydrophobicContact CE1-CB 4.39Å; Y598-E605 PolarHBondContact OH-OE2 3.19Å; R601-E605 PolarHBondContact N-OE2 3.06Å; T602-E605 WeakPolarHBondContact CB-OE1 3.49Å; T602-E605 WeakPolarHBondContact CG2-OE1 3.44Å; T602-E605 PolarHBondContact N-OE1 2.81Å; T602-E605 PolarHBondContact O-N 3.08Å; T602-E605 VanDerWaalsContact O-N 3.09Å; T602-E605 VanDerWaalsContact OG1-CD 3.27Å; T602-E605 VanDerWaalsContact OG1-CG 3.3Å; T602-E605 WeakPolarHBondContact OG1-CG 3.47Å; T602-E605 PolarHBondContact OG1-OE1 3.33Å; E605-W624 HydrophobicContact CG-CH2 3.68Å; E605-W624 HydrophobicContact CG-CZ3 3.78Å
606L92.1Very high90.2Very high15 Ų1573 Ų738%0.07939%0.391CS..PPolyproline II helixtrans-79127.4-179.5-65176.9000110.8Y598 F608 H629 I632 L635 I636Y598-L606 VanDerWaalsContact CD1-O 3.29Å; Y598-L606 WeakPolarHBondContact CD1-O 3.37Å; L606-F608 HydrophobicContact CB-CD1 4.39Å; L606-F608 WeakPolarHBondContact O-CD1 2.96Å; L606-F608 VanDerWaalsContact O-CE1 3.31Å; L606-F608 WeakPolarHBondContact O-CE1 3.3Å; L606-H629 HydrophobicContact CD1-CB 3.97Å; L606-I632 WeakPolarHBondContact CD1-O 3.5Å; L606-I632 HydrophobicContact CD2-CB 4.03Å; L606-I632 HydrophobicContact CD2-CG2 3.74Å; L606-L635 PolarHBondContact N-O 3.11Å; L606-I636 HydrophobicContact CB-CG1 4.35Å; L606-I636 HydrophobicContact CD1-CD1 4.05Å; L606-I636 HydrophobicContact CD1-CG1 3.87Å
607S93.4Very high90.2Very high67 Ų6772.4 Ų72.447%0.46939%0.387SS..PPolyproline II helixtrans-87.8132.5172-60.30000110.5Y598 G600 H629Y598-S607 CarbonylContact O-C 3.55Å; Y598-S607 WeakPolarHBondContact O-CA 3.48Å; G600-S607 PolarHBondContact N-OG 2.96Å; S607-H629 PolarHBondContact O-CD2 3.41Å
608F94.1Very high90Very high7 Ų774.8 Ų74.83%0.03140%0.395CS..BIsolated β-bridgetrans-150.2160-178.549.8-98.4000111.9A594 Y598 L606 A612 L614 I636 P637 I641A594-F608 HydrophobicContact CB-CD2 3.43Å; A594-F608 VanDerWaalsContact CB-CD2 3.43Å; A594-F608 HydrophobicContact CB-CE2 3.71Å; A594-F608 HydrophobicContact CB-CG 4.48Å; Y598-F608 AromaticContact CD1-CE1 3.86Å; Y598-F608 HydrophobicContact CD1-CE1 3.86Å; Y598-F608 AromaticContact CD1-CZ 4Å; Y598-F608 HydrophobicContact CD1-CZ 4Å; Y598-F608 HydrophobicContact CG-CE1 4.36Å; Y598-F608 HydrophobicContact CG-CE2 4.45Å; Y598-F608 HydrophobicContact CG-CZ 4.06Å; Y598-F608 PolarHBondContact N-O 3.48Å; Y598-F608 PolarHBondContact O-N 3.33Å; Y598-F608 VanDerWaalsContact O-O 3.05Å; L606-F608 HydrophobicContact CB-CD1 4.39Å; L606-F608 WeakPolarHBondContact O-CD1 2.96Å; L606-F608 VanDerWaalsContact O-CE1 3.31Å; L606-F608 WeakPolarHBondContact O-CE1 3.3Å; F608-A612 HydrophobicContact CB-CB 4.15Å; F608-L614 HydrophobicContact CB-CD2 4.14Å; F608-L614 HydrophobicContact CD1-CD1 4.24Å; F608-L614 HydrophobicContact CD1-CD2 3.96Å; F608-L614 HydrophobicContact CD2-CD1 4.09Å; F608-L614 HydrophobicContact CE1-CD1 4.19Å; F608-L614 HydrophobicContact CE2-CD1 4.01Å; F608-L614 HydrophobicContact CG-CD1 4.19Å; F608-L614 HydrophobicContact CG-CD2 4.01Å; F608-L614 HydrophobicContact CZ-CD1 4.06Å; F608-I636 HydrophobicContact CE1-CB 4.47Å; F608-I636 HydrophobicContact CE1-CG1 4.44Å; F608-I636 HydrophobicContact CE1-CG2 3.81Å; F608-I636 HydrophobicContact CZ-CG2 3.91Å; F608-P637 HydrophobicContact CZ-CG 4.27Å; F608-I641 HydrophobicContact CE2-CG2 4.31Å; F608-I641 HydrophobicContact CZ-CG2 4.14Å
609K92.5Very high89.7Confident135 Ų13578.3 Ų78.359%0.58741%0.408SS*.  trans-101151.8179-69.9-70.1178176.30110.9A594 D597 G611 A612A594-K609 VanDerWaalsContact CB-O 3.31Å; A594-K609 WeakPolarHBondContact CB-O 3.37Å; D597-K609 HydrophobicContact CB-CD 4.4Å; D597-K609 VanDerWaalsContact CG-CD 3.46Å; D597-K609 WeakPolarHBondContact OD2-CD 3.42Å; D597-K609 IonicContact OD2-NZ 3.54Å; D597-K609 PolarHBondContact OD2-NZ 2.91Å; K609-G611 PolarHBondContact O-N 3.29Å; K609-A612 WeakPolarHBondContact O-CB 3.41Å; K609-A612 PolarHBondContact O-N 2.66Å
610K91.9Very high89.1Confident143 Ų14375.6 Ų75.662%0.62240%0.398SS*.THydrogen-bonded Turntrans-51.1130.1173.4178174.4-178.3-178.90110.1K595 D597K595-K610 VanDerWaalsContact O-CD 3.22Å; K595-K610 WeakPolarHBondContact O-CD 3.45Å; K595-K610 VanDerWaalsContact O-CE 3.22Å; K595-K610 WeakPolarHBondContact O-CE 3.5Å; K595-K610 VanDerWaalsContact O-CG 3.3Å; K595-K610 WeakPolarHBondContact O-CG 3.43Å; D597-K610 WeakPolarHBondContact OD1-CB 3.45Å; D597-K610 PolarHBondContact OD1-N 2.89Å
611G87.1Confident88.8Confident52 Ų5277.2 Ų77.254%0.53641%0.405SS..THydrogen-bonded Turntrans88.4-3.2-176.100000114.8A594 K609A594-G611 PolarHBondContact O-N 2.99Å; K609-G611 PolarHBondContact O-N 3.29Å
612A91.5Very high88.5Confident17 Ų1773 Ų7314%0.1440%0.399CS..  trans-64.9138.3173.200000111.5I593 A594 F608 K609I593-A612 WeakPolarHBondContact CA-O 3.45Å; A594-A612 HydrophobicContact CB-CB 4.22Å; A594-A612 PolarHBondContact N-O 2.98Å; F608-A612 HydrophobicContact CB-CB 4.15Å; K609-A612 WeakPolarHBondContact O-CB 3.41Å; K609-A612 PolarHBondContact O-N 2.66Å
613S92.3Very high88.8Confident77 Ų7773.3 Ų73.354%0.53840%0.398SS..EExtended strand (participates in β ladder)trans-79.9134169.6-174.70000110H629S613-H629 PolarHBondContact O-ND1 3.45Å
614L93.2Very high89.4Confident1 Ų170.9 Ų70.91%0.00537%0.365CS..EExtended strand (participates in β ladder)trans-132.3141.3-173.4-59.5171.5000108.2A592 A594 F608 H629 I636 I641A592-L614 HydrophobicContact CB-CB 4.48Å; A592-L614 PolarHBondContact N-O 2.87Å; A592-L614 WeakPolarHBondContact O-CB 3.5Å; A592-L614 PolarHBondContact O-N 3.21Å; A594-L614 HydrophobicContact CB-CD1 4.09Å; F608-L614 HydrophobicContact CB-CD2 4.14Å; F608-L614 HydrophobicContact CD1-CD1 4.24Å; F608-L614 HydrophobicContact CD1-CD2 3.96Å; F608-L614 HydrophobicContact CD2-CD1 4.09Å; F608-L614 HydrophobicContact CE1-CD1 4.19Å; F608-L614 HydrophobicContact CE2-CD1 4.01Å; F608-L614 HydrophobicContact CG-CD1 4.19Å; F608-L614 HydrophobicContact CG-CD2 4.01Å; F608-L614 HydrophobicContact CZ-CD1 4.06Å; L614-H629 HydrophobicContact CD2-CB 3.57Å; L614-H629 VanDerWaalsContact CD2-CG 3.48Å; L614-H629 WeakPolarHBondContact CD2-ND1 3.44Å; L614-I636 HydrophobicContact CB-CD1 4.11Å; L614-I636 HydrophobicContact CD1-CG2 3.93Å; L614-I636 HydrophobicContact CD2-CD1 4.2Å; L614-I641 HydrophobicContact CD1-CB 4.46Å; L614-I641 HydrophobicContact CD1-CG2 3.38Å
615L92.3Very high89.6Confident48 Ų4862.7 Ų62.725%0.25133%0.334SS..EExtended strand (participates in β ladder)trans-111.9120.8-179.4-160.376.1000108.7P589 E591 Y617 G627 R628P589-L615 HydrophobicContact CB-CD1 3.82Å; P589-L615 HydrophobicContact CB-CD2 3.73Å; P589-L615 HydrophobicContact CB-CG 3.61Å; P589-L615 HydrophobicContact CG-CD1 4.3Å; P589-L615 HydrophobicContact CG-CD2 4.19Å; P589-L615 HydrophobicContact CG-CG 4.41Å; E591-L615 HydrophobicContact CG-CD1 4.07Å; L615-Y617 HydrophobicContact CD2-CE1 3.78Å; L615-Y617 HydrophobicContact CG-CE1 4.35Å; L615-G627 CarbonylContact O-C 3.31Å; L615-G627 WeakPolarHBondContact O-CA 3.47Å; L615-R628 HydrophobicContact CB-CB 4.34Å; L615-R628 PolarHBondContact N-O 3.16Å; L615-R628 PolarHBondContact O-N 3.23Å
616L92.1Very high89.7Confident0 Ų066 Ų660%035%0.349CS..EExtended strand (participates in β ladder)trans-103.8132.8-177.4-45.4177.1000110.1P589 I590 A592 W625 I636 I641 V643P589-L616 CarbonylContact C-O 3.6Å; P589-L616 WeakPolarHBondContact CA-O 3.44Å; I590-L616 HydrophobicContact CB-CB 4.24Å; I590-L616 HydrophobicContact CG2-CD1 4.49Å; I590-L616 PolarHBondContact N-O 2.91Å; I590-L616 PolarHBondContact O-N 3.27Å; A592-L616 HydrophobicContact CB-CD1 3.75Å; A592-L616 HydrophobicContact CB-CD2 4.36Å; A592-L616 HydrophobicContact CB-CG 3.97Å; L616-W625 HydrophobicContact CB-CD2 4.2Å; L616-W625 HydrophobicContact CB-CE3 3.71Å; L616-W625 HydrophobicContact CB-CZ3 4.23Å; L616-W625 HydrophobicContact CD1-CD2 3.76Å; L616-W625 HydrophobicContact CD1-CE3 4.01Å; L616-W625 HydrophobicContact CD1-CG 4.03Å; L616-W625 HydrophobicContact CD1-CZ2 4.45Å; L616-W625 HydrophobicContact CD1-CZ3 4.45Å; L616-W625 HydrophobicContact CD2-CB 3.88Å; L616-W625 HydrophobicContact CD2-CG 4.2Å; L616-W625 HydrophobicContact CG-CD2 4.41Å; L616-W625 HydrophobicContact CG-CE3 4.4Å; L616-I636 HydrophobicContact CD2-CB 4.37Å; L616-I636 HydrophobicContact CD2-CD1 3.86Å; L616-I636 HydrophobicContact CD2-CG2 4.3Å; L616-I641 HydrophobicContact CD1-CD1 3.62Å; L616-I641 HydrophobicContact CD2-CD1 3.75Å; L616-I641 HydrophobicContact CG-CD1 4.3Å; L616-V643 HydrophobicContact CD1-CG2 3.92Å
617Y87.4Confident89.7Confident82 Ų8265.3 Ų65.332%0.32235%0.346SS..EExtended strand (participates in β ladder)trans-99.9-56179-58.5-52.1000111.4P589 L615 E626 R628P589-Y617 HydrophobicContact CB-CD1 4.08Å; P589-Y617 HydrophobicContact CB-CE1 4.06Å; L615-Y617 HydrophobicContact CD2-CE1 3.78Å; L615-Y617 HydrophobicContact CG-CE1 4.35Å; Y617-E626 PolarHBondContact N-O 3.41Å; Y617-R628 HydrophobicContact CE2-CB 3.87Å; Y617-R628 WeakPolarHBondContact OH-CB 3.42Å; Y617-R628 WeakPolarHBondContact OH-CD 3.35Å; Y617-R628 PolarHBondContact OH-NE 2.93Å; Y617-R628 VanDerWaalsContact OH-NE 3.11Å; Y617-R628 PolarHBondContact OH-NH1 3.03Å
618Q86.6Confident89.6Confident131 Ų13167 Ų6761%0.61234%0.342SS*.EExtended strand (participates in β ladder)trans-146.1149.3-175.9-171.9172.813.500111.1A620 W625 E626Q618-A620 PolarHBondContact O-N 3.07Å; Q618-W625 VanDerWaalsContact C-CE3 3.46Å; Q618-W625 WeakPolarHBondContact O-CA 3.49Å; Q618-E626 PolarHBondContact N-O 3.47Å; Q618-E626 PolarHBondContact O-N 3.11Å
619R86.3Confident89.5Confident98 Ų9867.7 Ų67.737%0.3735%0.345SS..EExtended strand (participates in β ladder)trans-72109.4169.8-163.193.3176.5-155.41.6108.7S621 D622 W625 H638R619-S621 WeakPolarHBondContact CG-O 3.33Å; R619-S621 PolarHBondContact NE-O 2.88Å; R619-D622 PolarHBondContact NH2-O 3.34Å; R619-W625 HydrophobicContact CB-CE3 4.37Å; R619-W625 HydrophobicContact CB-CH2 4.44Å; R619-W625 HydrophobicContact CB-CZ3 4.28Å; R619-W625 VanDerWaalsContact CD-CZ2 3.43Å; R619-H638 PolarHBondContact NH1-CE1 3.27Å; R619-H638 VanDerWaalsContact NH1-CE1 3.33Å; R619-H638 PolarHBondContact NH1-NE2 3.18Å; R619-H638 PolarHBondContact NH2-CD2 3.03Å; R619-H638 PolarHBondContact NH2-NE2 2.97Å
620A80.3Confident89.3Confident51 Ų5168 Ų6842%0.42135%0.354SS..EExtended strand (participates in β ladder)trans-78.5-3317700000111.7Q618 W624 E626 L635Q618-A620 PolarHBondContact O-N 3.07Å; A620-W624 HydrophobicContact CB-CB 4.42Å; A620-W624 PolarHBondContact N-O 3.42Å; A620-E626 HydrophobicContact CB-CG 4.15Å; A620-L635 HydrophobicContact CB-CD2 3.99Å
621S84.3Confident88.8Confident53 Ų5364.2 Ų64.237%0.37135%0.354SS..EExtended strand (participates in β ladder)trans-162.2-179.5170.9650000110.9R619 D623 W624R619-S621 WeakPolarHBondContact CG-O 3.33Å; R619-S621 PolarHBondContact NE-O 2.88Å; S621-D623 PolarHBondContact O-N 2.66Å; S621-D623 VanDerWaalsContact O-N 3.12Å; S621-W624 PolarHBondContact N-O 3.17Å; S621-W624 VanDerWaalsContact N-O 3.08Å; S621-W624 PolarHBondContact O-N 3.37Å; S621-W624 PolarHBondContact OG-N 3.04Å
622D78.7Confident88.9Confident135 Ų13567 Ų6772%0.72236%0.356SS*.THydrogen-bonded Turntrans-56.5-30.7178.7-72.1-25.7000113R619R619-D622 PolarHBondContact NH2-O 3.34Å
623D88.7Confident88.9Confident84 Ų8470.6 Ų70.645%0.44937%0.373SS..THydrogen-bonded Turntrans-101.4-10.9-177.8-71-48.4000114.4S621 P637 H638S621-D623 PolarHBondContact O-N 2.66Å; S621-D623 VanDerWaalsContact O-N 3.12Å; D623-P637 CarbonylContact O-C 3.53Å; D623-P637 WeakPolarHBondContact O-CA 3.3Å; D623-H638 PolarHBondContact O-N 3.24Å
624W92.2Very high88.9Confident66 Ų6667.7 Ų67.725%0.2536%0.355CS..EExtended strand (participates in β ladder)trans-136.3142.4-169.7-6393.1000114.3Y598 E605 A620 S621 L635 P637Y598-W624 WeakPolarHBondContact OH-CH2 3.42Å; E605-W624 HydrophobicContact CG-CH2 3.68Å; E605-W624 HydrophobicContact CG-CZ3 3.78Å; A620-W624 HydrophobicContact CB-CB 4.42Å; A620-W624 PolarHBondContact N-O 3.42Å; S621-W624 PolarHBondContact N-O 3.17Å; S621-W624 VanDerWaalsContact N-O 3.08Å; S621-W624 PolarHBondContact O-N 3.37Å; S621-W624 PolarHBondContact OG-N 3.04Å; W624-L635 HydrophobicContact CE3-CB 3.75Å; W624-L635 HydrophobicContact CZ3-CB 4.1Å; W624-P637 HydrophobicContact CE3-CB 3.97Å; W624-P637 HydrophobicContact CH2-CB 4.26Å; W624-P637 HydrophobicContact CZ3-CB 3.84Å; W624-P637 HydrophobicContact CZ3-CG 4.06Å
625W93.3Very high88.9Confident25 Ų2569.7 Ų69.710%0.09537%0.365CS..EExtended strand (participates in β ladder)trans-113.1139.6170.8-72.482.6000110.3I590 L616 Q618 R619 L635 I636 H638I590-W625 HydrophobicContact CD1-CH2 4.12Å; I590-W625 HydrophobicContact CD1-CZ3 4.21Å; L616-W625 HydrophobicContact CB-CD2 4.2Å; L616-W625 HydrophobicContact CB-CE3 3.71Å; L616-W625 HydrophobicContact CB-CZ3 4.23Å; L616-W625 HydrophobicContact CD1-CD2 3.76Å; L616-W625 HydrophobicContact CD1-CE3 4.01Å; L616-W625 HydrophobicContact CD1-CG 4.03Å; L616-W625 HydrophobicContact CD1-CZ2 4.45Å; L616-W625 HydrophobicContact CD1-CZ3 4.45Å; L616-W625 HydrophobicContact CD2-CB 3.88Å; L616-W625 HydrophobicContact CD2-CG 4.2Å; L616-W625 HydrophobicContact CG-CD2 4.41Å; L616-W625 HydrophobicContact CG-CE3 4.4Å; Q618-W625 VanDerWaalsContact C-CE3 3.46Å; Q618-W625 WeakPolarHBondContact O-CA 3.49Å; R619-W625 HydrophobicContact CB-CE3 4.37Å; R619-W625 HydrophobicContact CB-CH2 4.44Å; R619-W625 HydrophobicContact CB-CZ3 4.28Å; R619-W625 VanDerWaalsContact CD-CZ2 3.43Å; W625-L635 CarbonylContact O-C 3.41Å; W625-L635 WeakPolarHBondContact O-CA 3.49Å; W625-I636 HydrophobicContact CB-CB 4.44Å; W625-I636 PolarHBondContact N-O 3.17Å; W625-I636 PolarHBondContact O-N 2.94Å; W625-H638 AromaticContact CD1-ND1 3.76Å; W625-H638 AromaticContact NE1-CE1 3.9Å; W625-H638 AromaticContact NE1-CG 3.6Å; W625-H638 AromaticContact NE1-ND1 3.02Å; W625-H638 PolarHBondContact NE1-ND1 3.26Å
626E92.7Very high89Confident99 Ų9967.4 Ų67.446%0.46335%0.353SS..EExtended strand (participates in β ladder)trans-77.7128.4157.9-84.2176.9-163.200108.7Y617 Q618 A620 L635Y617-E626 PolarHBondContact N-O 3.41Å; Q618-E626 PolarHBondContact N-O 3.47Å; Q618-E626 PolarHBondContact O-N 3.11Å; A620-E626 HydrophobicContact CB-CG 4.15Å; E626-L635 HydrophobicContact CG-CD2 3.86Å
627G92.6Very high89Confident1 Ų167.8 Ų67.81%0.0136%0.356CS..EExtended strand (participates in β ladder)trans-164.2-175.8-177.300000112.9L615 D633 G634L615-G627 CarbonylContact O-C 3.31Å; L615-G627 WeakPolarHBondContact O-CA 3.47Å; G627-D633 WeakPolarHBondContact O-CA 3.49Å; G627-G634 PolarHBondContact N-O 2.86Å; G627-G634 PolarHBondContact O-N 3.25Å
628R92.3Very high89.3Confident101 Ų10166.8 Ų66.838%0.38135%0.354SS..EExtended strand (participates in β ladder)trans-125.4135.8-176.1-175.4174.2-75.7164.97.2110.9L615 Y617 I632 D633L615-R628 HydrophobicContact CB-CB 4.34Å; L615-R628 PolarHBondContact N-O 3.16Å; L615-R628 PolarHBondContact O-N 3.23Å; Y617-R628 HydrophobicContact CE2-CB 3.87Å; Y617-R628 WeakPolarHBondContact OH-CB 3.42Å; Y617-R628 WeakPolarHBondContact OH-CD 3.35Å; Y617-R628 PolarHBondContact OH-NE 2.93Å; Y617-R628 VanDerWaalsContact OH-NE 3.11Å; Y617-R628 PolarHBondContact OH-NH1 3.03Å; R628-I632 WeakPolarHBondContact CA-O 3.27Å; R628-D633 WeakPolarHBondContact CB-OD1 3.33Å; R628-D633 WeakPolarHBondContact CG-OD1 3.3Å; R628-D633 IonicContact CZ-OD1 3.89Å; R628-D633 VanDerWaalsContact CZ-OD1 3.29Å; R628-D633 IonicContact CZ-OD2 3.85Å; R628-D633 IonicContact NE-OD1 3.38Å; R628-D633 PolarHBondContact NE-OD1 3.31Å; R628-D633 IonicContact NE-OD2 3.73Å; R628-D633 IonicContact NH2-OD1 2.67Å; R628-D633 PolarHBondContact NH2-OD1 3.1Å; R628-D633 VanDerWaalsContact NH2-OD1 3.11Å; R628-D633 IonicContact NH2-OD2 3.43Å; R628-D633 PolarHBondContact NH2-OD2 3.05Å
629H92.3Very high89.5Confident22 Ų2267.1 Ų67.110%0.10236%0.356CS..EExtended strand (participates in β ladder)trans-133.7128.1168.1-175.148.5000109.7L606 S607 S613 L614 G631 I632L606-H629 HydrophobicContact CD1-CB 3.97Å; S607-H629 PolarHBondContact O-CD2 3.41Å; S613-H629 PolarHBondContact O-ND1 3.45Å; L614-H629 HydrophobicContact CD2-CB 3.57Å; L614-H629 VanDerWaalsContact CD2-CG 3.48Å; L614-H629 WeakPolarHBondContact CD2-ND1 3.44Å; H629-G631 PolarHBondContact O-N 3.15Å; H629-G631 VanDerWaalsContact O-N 3.13Å; H629-I632 PolarHBondContact N-O 3.29Å; H629-I632 PolarHBondContact O-N 2.9Å
630N86.8Confident89.8Confident143 Ų14366.5 Ų66.577%0.76535%0.354SS*.THydrogen-bonded Turntrans5134.5-178.9-63.1-25.4000114.7I632N630-I632 VanDerWaalsContact C-N 3.34Å
631G83Confident90.3Very high62 Ų6264.6 Ų64.664%0.63934%0.337SS*.THydrogen-bonded Turntrans82.74.4179.100000115.3H629H629-G631 PolarHBondContact O-N 3.15Å; H629-G631 VanDerWaalsContact O-N 3.13Å
632I87.7Confident90.6Very high111 Ų11165.9 Ų65.957%0.56934%0.342SS*.EExtended strand (participates in β ladder)trans-107.7129176.1-53.4176.9000108.7L606 R628 H629 N630L606-I632 WeakPolarHBondContact CD1-O 3.5Å; L606-I632 HydrophobicContact CD2-CB 4.03Å; L606-I632 HydrophobicContact CD2-CG2 3.74Å; R628-I632 WeakPolarHBondContact CA-O 3.27Å; H629-I632 PolarHBondContact N-O 3.29Å; H629-I632 PolarHBondContact O-N 2.9Å; N630-I632 VanDerWaalsContact C-N 3.34Å
633D92Very high91Very high92 Ų9261.5 Ų61.549%0.49232%0.32SS..EExtended strand (participates in β ladder)trans-86.8140.7175.7-65.8-28.2000110.9G627 R628G627-D633 WeakPolarHBondContact O-CA 3.49Å; R628-D633 WeakPolarHBondContact CB-OD1 3.33Å; R628-D633 WeakPolarHBondContact CG-OD1 3.3Å; R628-D633 IonicContact CZ-OD1 3.89Å; R628-D633 VanDerWaalsContact CZ-OD1 3.29Å; R628-D633 IonicContact CZ-OD2 3.85Å; R628-D633 IonicContact NE-OD1 3.38Å; R628-D633 PolarHBondContact NE-OD1 3.31Å; R628-D633 IonicContact NE-OD2 3.73Å; R628-D633 IonicContact NH2-OD1 2.67Å; R628-D633 PolarHBondContact NH2-OD1 3.1Å; R628-D633 VanDerWaalsContact NH2-OD1 3.11Å; R628-D633 IonicContact NH2-OD2 3.43Å; R628-D633 PolarHBondContact NH2-OD2 3.05Å
634G91.6Very high90.4Very high16 Ų1662.2 Ų62.217%0.16532%0.321CS..EExtended strand (participates in β ladder)trans174.1-169.5178.600000112.8R604 G627R604-G634 CarbonylContact O-C 3.56Å; R604-G634 VanDerWaalsContact O-CA 3.27Å; R604-G634 WeakPolarHBondContact O-CA 3.38Å; G627-G634 PolarHBondContact N-O 2.86Å; G627-G634 PolarHBondContact O-N 3.25Å
635L93.6Very high88.7Confident43 Ų4366.1 Ų66.123%0.22535%0.347CS..EExtended strand (participates in β ladder)trans-88.3133.5-175.3-64.3175.1000111.4R604 L606 A620 W624 W625 E626R604-L635 HydrophobicContact CB-CD1 4.46Å; R604-L635 PolarHBondContact O-N 3.03Å; L606-L635 PolarHBondContact N-O 3.11Å; A620-L635 HydrophobicContact CB-CD2 3.99Å; W624-L635 HydrophobicContact CE3-CB 3.75Å; W624-L635 HydrophobicContact CZ3-CB 4.1Å; W625-L635 CarbonylContact O-C 3.41Å; W625-L635 WeakPolarHBondContact O-CA 3.49Å; E626-L635 HydrophobicContact CG-CD2 3.86Å
636I94Very high86.3Confident0 Ų070.6 Ų70.60%038%0.377CS..EExtended strand (participates in β ladder)trans-121.3121.5-179.9-59.4176.9000108.2L606 F608 L614 L616 W625 H638 I641L606-I636 HydrophobicContact CB-CG1 4.35Å; L606-I636 HydrophobicContact CD1-CD1 4.05Å; L606-I636 HydrophobicContact CD1-CG1 3.87Å; F608-I636 HydrophobicContact CE1-CB 4.47Å; F608-I636 HydrophobicContact CE1-CG1 4.44Å; F608-I636 HydrophobicContact CE1-CG2 3.81Å; F608-I636 HydrophobicContact CZ-CG2 3.91Å; L614-I636 HydrophobicContact CB-CD1 4.11Å; L614-I636 HydrophobicContact CD1-CG2 3.93Å; L614-I636 HydrophobicContact CD2-CD1 4.2Å; L616-I636 HydrophobicContact CD2-CB 4.37Å; L616-I636 HydrophobicContact CD2-CD1 3.86Å; L616-I636 HydrophobicContact CD2-CG2 4.3Å; W625-I636 HydrophobicContact CB-CB 4.44Å; W625-I636 PolarHBondContact N-O 3.17Å; W625-I636 PolarHBondContact O-N 2.94Å; I636-H638 PolarHBondContact O-N 3.46Å; I636-I641 HydrophobicContact CG2-CD1 3.95Å; I636-I641 HydrophobicContact CG2-CG2 3.59Å
637P93.9Very high83.5Confident9 Ų974 Ų746%0.05840%0.397CS..EExtended strand (participates in β ladder)trans-73.1126.5-178.124.9-29.9000111.7Y598 F608 D623 W624 Q639 Y640Y598-P637 HydrophobicContact CD1-CG 3.79Å; Y598-P637 HydrophobicContact CD2-CG 3.8Å; Y598-P637 HydrophobicContact CE1-CG 3.7Å; Y598-P637 HydrophobicContact CE2-CG 3.72Å; Y598-P637 HydrophobicContact CG-CG 3.84Å; F608-P637 HydrophobicContact CZ-CG 4.27Å; D623-P637 CarbonylContact O-C 3.53Å; D623-P637 WeakPolarHBondContact O-CA 3.3Å; W624-P637 HydrophobicContact CE3-CB 3.97Å; W624-P637 HydrophobicContact CH2-CB 4.26Å; W624-P637 HydrophobicContact CZ3-CB 3.84Å; W624-P637 HydrophobicContact CZ3-CG 4.06Å; P637-Q639 VanDerWaalsContact C-N 3.32Å; P637-Q639 PolarHBondContact O-N 3.26Å; P637-Y640 HydrophobicContact CB-CD2 3.98Å; P637-Y640 HydrophobicContact CG-CD2 3.93Å; P637-Y640 HydrophobicContact CG-CG 4.07Å; P637-Y640 PolarHBondContact O-N 3.47Å; P637-Y640 VanDerWaalsContact O-N 3.12Å
638H92.6Very high80.7Confident60 Ų6081.1 Ų81.128%0.27843%0.434SS..G310 helixtrans-59.2-38.6-174.1-179.354.4000113.1R619 D623 W625 I636 Y640 I641R619-H638 PolarHBondContact NH1-CE1 3.27Å; R619-H638 VanDerWaalsContact NH1-CE1 3.33Å; R619-H638 PolarHBondContact NH1-NE2 3.18Å; R619-H638 PolarHBondContact NH2-CD2 3.03Å; R619-H638 PolarHBondContact NH2-NE2 2.97Å; D623-H638 PolarHBondContact O-N 3.24Å; W625-H638 AromaticContact CD1-ND1 3.76Å; W625-H638 AromaticContact NE1-CE1 3.9Å; W625-H638 AromaticContact NE1-CG 3.6Å; W625-H638 AromaticContact NE1-ND1 3.02Å; W625-H638 PolarHBondContact NE1-ND1 3.26Å; I636-H638 PolarHBondContact O-N 3.46Å; H638-Y640 PolarHBondContact O-N 3.22Å; H638-Y640 VanDerWaalsContact O-N 3.17Å; H638-I641 WeakPolarHBondContact O-CG1 3.33Å; H638-I641 PolarHBondContact O-N 3.37Å
639Q91.4Very high77.9Confident138 Ų13885 Ų8565%0.64548%0.477SS*.G310 helixtrans-68.1-15.9-178-60.6-172.712.300113.9P637P637-Q639 VanDerWaalsContact C-N 3.32Å; P637-Q639 PolarHBondContact O-N 3.26Å
640Y91.5Very high77.2Confident85 Ų8588.2 Ų88.233%0.33350%0.495SS..G310 helixtrans-97.8-0-176-76.2-107.9000113.2A594 K595 F596 Y598 P637 H638A594-Y640 CarbonylContact C-O 3.57Å; K595-Y640 WeakPolarHBondContact CB-O 3.35Å; K595-Y640 PolarHBondContact N-O 3.48Å; F596-Y640 HydrophobicContact CB-CD1 3.82Å; F596-Y640 HydrophobicContact CB-CE1 4.23Å; F596-Y640 HydrophobicContact CD2-CD1 4.44Å; Y598-Y640 AromaticContact CD2-CD1 3.8Å; Y598-Y640 HydrophobicContact CD2-CD1 3.8Å; Y598-Y640 HydrophobicContact CD2-CD2 4.37Å; Y598-Y640 AromaticContact CD2-CE1 3.8Å; Y598-Y640 HydrophobicContact CD2-CE1 3.8Å; Y598-Y640 HydrophobicContact CD2-CE2 4.36Å; Y598-Y640 HydrophobicContact CD2-CG 4.11Å; Y598-Y640 HydrophobicContact CG-CD1 4.26Å; P637-Y640 HydrophobicContact CB-CD2 3.98Å; P637-Y640 HydrophobicContact CG-CD2 3.93Å; P637-Y640 HydrophobicContact CG-CG 4.07Å; P637-Y640 PolarHBondContact O-N 3.47Å; P637-Y640 VanDerWaalsContact O-N 3.12Å; H638-Y640 PolarHBondContact O-N 3.22Å; H638-Y640 VanDerWaalsContact O-N 3.17Å
641I92.3Very high76.7Confident11 Ų1185.3 Ų85.36%0.05648%0.481CS..EExtended strand (participates in β ladder)trans-127.5159.9-175.165.7175.7000111A592 I593 F608 L614 L616 I636 H638A592-I641 HydrophobicContact CB-CB 4.3Å; A592-I641 HydrophobicContact CB-CD1 4.1Å; I593-I641 CarbonylContact O-C 3.59Å; I593-I641 WeakPolarHBondContact O-CA 3.4Å; F608-I641 HydrophobicContact CE2-CG2 4.31Å; F608-I641 HydrophobicContact CZ-CG2 4.14Å; L614-I641 HydrophobicContact CD1-CB 4.46Å; L614-I641 HydrophobicContact CD1-CG2 3.38Å; L616-I641 HydrophobicContact CD1-CD1 3.62Å; L616-I641 HydrophobicContact CD2-CD1 3.75Å; L616-I641 HydrophobicContact CG-CD1 4.3Å; I636-I641 HydrophobicContact CG2-CD1 3.95Å; I636-I641 HydrophobicContact CG2-CG2 3.59Å; H638-I641 WeakPolarHBondContact O-CG1 3.33Å; H638-I641 PolarHBondContact O-N 3.37Å
642V90.4Very high76.3Confident80 Ų8086.6 Ų86.649%0.48547%0.472SS..EExtended strand (participates in β ladder)trans-122.5119.3168.9177.60000106.9A592 I593 K595A592-V642 CarbonylContact C-O 3.48Å; A592-V642 VanDerWaalsContact CA-O 3.27Å; A592-V642 WeakPolarHBondContact CA-O 3.28Å; I593-V642 PolarHBondContact N-O 3.03Å; I593-V642 PolarHBondContact O-N 3.08Å; K595-V642 HydrophobicContact CB-CG2 4.22Å; K595-V642 HydrophobicContact CD-CG2 4.16Å; K595-V642 HydrophobicContact CG-CG2 4.42Å
643V86.8Confident75.7Confident44 Ų4485.2 Ų85.227%0.26747%0.467SS..EExtended strand (participates in β ladder)trans-69.6128.5172.9172.20000108.2I590 L616 D645I590-V643 HydrophobicContact CG2-CB 4.4Å; I590-V643 HydrophobicContact CG2-CG1 3.34Å; I590-V643 HydrophobicContact CG2-CG2 4.39Å; L616-V643 HydrophobicContact CD1-CG2 3.92Å; V643-D645 PolarHBondContact O-N 2.72Å
644Q76.1Confident74.6Confident99 Ų9984.8 Ų84.846%0.46347%0.465SS..  trans-79.6111.9170.8-68.6-167.4-1.900108.2E591 T646E591-Q644 PolarHBondContact O-N 2.92Å; Q644-T646 PolarHBondContact O-N 3.49Å; Q644-T646 VanDerWaalsContact O-N 3.14Å
645D55.6Low73.5Confident147 Ų14789.3 Ų89.379%0.78649%0.485SS*.  trans-61.8116.5171.2-72.5-30.4000108.9V643 L647V643-D645 PolarHBondContact O-N 2.72Å; D645-L647 VanDerWaalsContact C-N 3.34Å; D645-L647 PolarHBondContact O-N 3.19Å
646T44.3Very low72.1Confident119 Ų11992.6 Ų92.673%0.7350%0.504SS*.  trans-63.197.5163.219.50000107.7Q644 I648Q644-T646 PolarHBondContact O-N 3.49Å; Q644-T646 VanDerWaalsContact O-N 3.14Å; T646-I648 VanDerWaalsContact C-N 3.28Å; T646-I648 PolarHBondContact O-N 3.4Å
647L33.2Very low70.4Confident171 Ų17199.8 Ų99.890%0.89554%0.542SS*.  trans-59.195.3162.1-82.6161.5000108D645D645-L647 VanDerWaalsContact C-N 3.34Å; D645-L647 PolarHBondContact O-N 3.19Å
648I34Very low68.4Low151 Ų151107.3 Ų107.377%0.77458%0.583SS**  trans-63.8131161.5-60.8172.8000106.9T646T646-I648 VanDerWaalsContact C-N 3.28Å; T646-I648 PolarHBondContact O-N 3.4Å
649S33Very low66.2Low183 Ų183111.6 Ų111.6100%1.2861%0.61SS**  trans-430-17959.90000116.3

Retrieved 649 of 649 residues in 824.3 ms (Link to these results)

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