A0A087YEP2_POEFO Loading...

Solute carrier family 15 member 2

AlphaFold DB , UniProt , Accession A0A087YEP2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 704 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
1M45.1Very low67.4Low237 Ų23794.4 Ų94.4100%1.16756%0.558SS**  0109.90-124167.9153.100107.9
2G55.8Low68.8Low62 Ų6289.4 Ų89.464%0.63953%0.529SS*.PPolyproline II helixtrans-65.4146.1179.400000111.4K4G2-K4 PolarHBondContact O-N 3.46Å
3K65.4Low70.1Confident168 Ų16882.8 Ų82.873%0.7349%0.491SS*.PPolyproline II helixtrans-60.8125.4172.5-71.9-178.7177.41790108.5T12 M209K3-T12 WeakPolarHBondContact O-CB 3.44Å; K3-T12 PolarHBondContact O-N 3.15Å; K3-T12 PolarHBondContact O-OG1 2.8Å; K3-M209 HydrophobicContact CB-CE 4.03Å
4K74.2Confident71.3Confident107 Ų10777.4 Ų77.447%0.46546%0.458SS..BIsolated β-bridgetrans-95.5148.9176.3-64.6-176.8175.4-171.70109.6G2 C6 Y10 T12G2-K4 PolarHBondContact O-N 3.46Å; K4-C6 PolarHBondContact O-N 3.44Å; K4-Y10 CarbonylContact C-O 3.55Å; K4-Y10 VanDerWaalsContact CA-O 3.31Å; K4-Y10 WeakPolarHBondContact CA-O 3.48Å; K4-T12 VanDerWaalsContact C-OG1 3.25Å; K4-T12 PolarHBondContact O-OG1 2.71Å
5L70.7Confident72.5Confident58 Ų5876.2 Ų76.230%0.30445%0.454SS..PPolyproline II helixtrans-63.3130.4169.6-84147.2000109.6G7 T8 Y10 T12L5-G7 PolarHBondContact O-N 2.81Å; L5-T8 VanDerWaalsContact CB-OG1 3.23Å; L5-T8 WeakPolarHBondContact CB-OG1 3.5Å; L5-T8 PolarHBondContact O-N 2.9Å; L5-T8 PolarHBondContact O-OG1 3.12Å; L5-Y10 PolarHBondContact N-O 2.88Å; L5-T12 PolarHBondContact N-OG1 2.95Å
6C60.9Low73.9Confident136 Ų13674.8 Ų74.892%0.91944%0.44SS*.THydrogen-bonded Turntrans-52.2125.9-174.6-166.80000111.3K4 T8K4-C6 PolarHBondContact O-N 3.44Å; C6-T8 VanDerWaalsContact C-N 3.34Å; C6-T8 PolarHBondContact O-N 3.09Å
7G66.8Low74.9Confident85 Ų8570.4 Ų70.488%0.87641%0.414SS*.THydrogen-bonded Turntrans77.58.1-179.100000115.9L5L5-G7 PolarHBondContact O-N 2.81Å
8T71.7Confident75.9Confident64 Ų6467.9 Ų67.939%0.39340%0.4SS..SBendtrans-137.4162.8179.873.60000112.8L5 C6 Y10L5-T8 VanDerWaalsContact CB-OG1 3.23Å; L5-T8 WeakPolarHBondContact CB-OG1 3.5Å; L5-T8 PolarHBondContact O-N 2.9Å; L5-T8 PolarHBondContact O-OG1 3.12Å; C6-T8 VanDerWaalsContact C-N 3.34Å; C6-T8 PolarHBondContact O-N 3.09Å; T8-Y10 PolarHBondContact O-N 2.93Å; T8-Y10 PolarHBondContact OG1-N 2.83Å
9N71.9Confident76.9Confident73 Ų7367.7 Ų67.739%0.3940%0.399SS..SBendtrans-81.13.6169.6-73.5-29.9000113.6E147N9-E147 HydrophobicContact CB-CG 4.07Å; N9-E147 WeakPolarHBondContact CB-OE1 3.44Å; N9-E147 PolarHBondContact ND2-OE1 3.17Å
10Y78.3Confident77.8Confident24 Ų2464.4 Ų64.49%0.09438%0.38CS..  trans-74.6130.5-175.8-84.5-101.4000111.7K4 L5 T8 T12 I14 F140 E147 K150 F151K4-Y10 CarbonylContact C-O 3.55Å; K4-Y10 VanDerWaalsContact CA-O 3.31Å; K4-Y10 WeakPolarHBondContact CA-O 3.48Å; L5-Y10 PolarHBondContact N-O 2.88Å; T8-Y10 PolarHBondContact O-N 2.93Å; T8-Y10 PolarHBondContact OG1-N 2.83Å; Y10-T12 PolarHBondContact O-N 3.39Å; Y10-I14 HydrophobicContact CD1-CG2 4.44Å; Y10-F140 AromaticContact CD1-CE1 3.92Å; Y10-F140 HydrophobicContact CD1-CE1 3.92Å; Y10-F140 AromaticContact CD1-CZ 3.9Å; Y10-F140 HydrophobicContact CD1-CZ 3.9Å; Y10-F140 AromaticContact CE1-CE1 3.98Å; Y10-F140 HydrophobicContact CE1-CE1 3.98Å; Y10-F140 AromaticContact CE1-CZ 3.82Å; Y10-F140 HydrophobicContact CE1-CZ 3.82Å; Y10-E147 HydrophobicContact CE2-CB 4.19Å; Y10-E147 HydrophobicContact CE2-CG 4.19Å; Y10-E147 PolarHBondContact OH-O 3.49Å; Y10-K150 WeakPolarHBondContact OH-CB 3.39Å; Y10-K150 WeakPolarHBondContact OH-CD 3.09Å; Y10-K150 WeakPolarHBondContact OH-CG 3.41Å; Y10-F151 HydrophobicContact CE1-CB 4.23Å; Y10-F151 PolarHBondContact OH-N 3.02Å
11P81Confident78.5Confident24 Ų2461.6 Ų61.616%0.15636%0.363CS..BIsolated β-bridgetrans-60.8131.7167.2-18.530.4000109.9S13 I14 Q139 F140P11-S13 WeakPolarHBondContact CB-OG 2.98Å; P11-S13 PolarHBondContact O-N 3.33Å; P11-S13 VanDerWaalsContact O-N 3.12Å; P11-I14 HydrophobicContact CB-CG1 4.25Å; P11-I14 HydrophobicContact CG-CG1 4.34Å; P11-I14 WeakPolarHBondContact O-CB 3.17Å; P11-I14 WeakPolarHBondContact O-CG1 3.28Å; P11-I14 PolarHBondContact O-N 2.87Å; P11-Q139 WeakPolarHBondContact CG-O 3.28Å; P11-F140 HydrophobicContact CG-CD1 4.4Å; P11-F140 HydrophobicContact CG-CE1 4.42Å
12T83.8Confident81Confident35 Ų3553.2 Ų53.222%0.21532%0.32CS..THydrogen-bonded Turntrans-61.9-21.2176.7-54.70000112.2K3 K4 L5 Y10 I14 C15 M209K3-T12 WeakPolarHBondContact O-CB 3.44Å; K3-T12 PolarHBondContact O-N 3.15Å; K3-T12 PolarHBondContact O-OG1 2.8Å; K4-T12 VanDerWaalsContact C-OG1 3.25Å; K4-T12 PolarHBondContact O-OG1 2.71Å; L5-T12 PolarHBondContact N-OG1 2.95Å; Y10-T12 PolarHBondContact O-N 3.39Å; T12-I14 PolarHBondContact O-N 2.81Å; T12-C15 PolarHBondContact O-N 2.83Å; T12-M209 VanDerWaalsContact CB-CE 3.42Å; T12-M209 HydrophobicContact CG2-CE 3.61Å
13S85.7Confident82.9Confident4 Ų450.6 Ų50.63%0.02829%0.292CS..Hα-helixtrans-58.4-26.2173.1510000113.8P11 C15 F16P11-S13 WeakPolarHBondContact CB-OG 2.98Å; P11-S13 PolarHBondContact O-N 3.33Å; P11-S13 VanDerWaalsContact O-N 3.12Å; S13-C15 VanDerWaalsContact C-N 3.33Å; S13-C15 PolarHBondContact O-N 3.38Å; S13-F16 PolarHBondContact O-N 3.07Å
14I87.3Confident84.4Confident7 Ų742.6 Ų42.64%0.03626%0.257CS..Hα-helixtrans-64.3-35.4-179.1-65.7-60.6000112.5Y10 P11 T12 F16 I17 V18 Q139 F140 F151Y10-I14 HydrophobicContact CD1-CG2 4.44Å; P11-I14 HydrophobicContact CB-CG1 4.25Å; P11-I14 HydrophobicContact CG-CG1 4.34Å; P11-I14 WeakPolarHBondContact O-CB 3.17Å; P11-I14 WeakPolarHBondContact O-CG1 3.28Å; P11-I14 PolarHBondContact O-N 2.87Å; T12-I14 PolarHBondContact O-N 2.81Å; I14-F16 VanDerWaalsContact C-N 3.25Å; I14-F16 PolarHBondContact O-N 2.93Å; I14-I17 HydrophobicContact CD1-CD1 4.31Å; I14-I17 PolarHBondContact O-N 2.71Å; I14-I17 VanDerWaalsContact O-N 3.11Å; I14-V18 HydrophobicContact CG2-CG2 3.95Å; I14-V18 WeakPolarHBondContact O-CG2 3.26Å; I14-V18 PolarHBondContact O-N 3.06Å; I14-Q139 HydrophobicContact CD1-CB 3.73Å; I14-Q139 HydrophobicContact CD1-CG 4.04Å; I14-F140 HydrophobicContact CD1-CD2 4.3Å; I14-F140 HydrophobicContact CD1-CE2 3.43Å; I14-F140 VanDerWaalsContact CD1-CE2 3.43Å; I14-F140 HydrophobicContact CD1-CZ 3.71Å; I14-F140 HydrophobicContact CG1-CE2 3.97Å; I14-F140 HydrophobicContact CG1-CZ 3.69Å; I14-F151 HydrophobicContact CD1-CD2 4.02Å; I14-F151 HydrophobicContact CD1-CE2 4.02Å; I14-F151 HydrophobicContact CG2-CD2 3.54Å; I14-F151 HydrophobicContact CG2-CE2 3.85Å
15C89.6Confident85.4Confident59 Ų5938.4 Ų38.440%0.39924%0.238SC..Hα-helixtrans-57.8-40.8179-68.50000111.8T12 S13 V18 V19T12-C15 PolarHBondContact O-N 2.83Å; S13-C15 VanDerWaalsContact C-N 3.33Å; S13-C15 PolarHBondContact O-N 3.38Å; C15-V18 PolarHBondContact O-N 2.92Å; C15-V19 WeakPolarHBondContact O-CG2 3.47Å; C15-V19 PolarHBondContact O-N 3.2Å
16F93.6Very high86.7Confident53 Ų5336.1 Ų36.123%0.23223%0.226CC..Hα-helixtrans-66.4-38.5178.4-61-86.5000112S13 I14 N20 V202 F205 M209 Y210S13-F16 PolarHBondContact O-N 3.07Å; I14-F16 VanDerWaalsContact C-N 3.25Å; I14-F16 PolarHBondContact O-N 2.93Å; F16-N20 WeakPolarHBondContact O-CB 3.47Å; F16-N20 PolarHBondContact O-N 3.23Å; F16-V202 HydrophobicContact CB-CG1 4.16Å; F16-V202 HydrophobicContact CD1-CG1 3.91Å; F16-V202 VanDerWaalsContact CD1-O 3.28Å; F16-V202 WeakPolarHBondContact CD1-O 3.32Å; F16-F205 HydrophobicContact CD1-CB 4.47Å; F16-F205 HydrophobicContact CE1-CB 4.16Å; F16-M209 HydrophobicContact CE2-SD 3.87Å; F16-M209 HydrophobicContact CZ-SD 4.43Å; F16-Y210 HydrophobicContact CB-CE1 4.45Å; F16-Y210 VanDerWaalsContact CB-OH 3.25Å; F16-Y210 WeakPolarHBondContact CB-OH 3.35Å
17I92.2Very high88.4Confident0 Ų029.7 Ų29.70%018%0.183CC..Hα-helixtrans-69.2-42.8178.8-66158.4000111I14 N20 E21 V132 F135 Q139 F151 F155 F203 Y210I14-I17 HydrophobicContact CD1-CD1 4.31Å; I14-I17 PolarHBondContact O-N 2.71Å; I14-I17 VanDerWaalsContact O-N 3.11Å; I17-N20 PolarHBondContact O-N 2.89Å; I17-E21 WeakPolarHBondContact O-CB 3.47Å; I17-E21 PolarHBondContact O-N 2.98Å; I17-V132 HydrophobicContact CG2-CG1 4.42Å; I17-F135 HydrophobicContact CD1-CD1 4.27Å; I17-F135 HydrophobicContact CD1-CE1 4.42Å; I17-Q139 HydrophobicContact CD1-CG 3.65Å; I17-F151 HydrophobicContact CG2-CZ 4.4Å; I17-F155 HydrophobicContact CG2-CE2 4.48Å; I17-F203 HydrophobicContact CG1-CE2 4.28Å; I17-Y210 HydrophobicContact CD1-CD1 4.24Å; I17-Y210 HydrophobicContact CD1-CE1 3.9Å; I17-Y210 HydrophobicContact CG1-CE1 3.86Å
18V92.4Very high89.8Confident26 Ų2625.6 Ų25.616%0.15814%0.141CC..Hα-helixtrans-66.5-42.6179.3173.90000111.4I14 C15 E21 F22 F151 I154I14-V18 HydrophobicContact CG2-CG2 3.95Å; I14-V18 WeakPolarHBondContact O-CG2 3.26Å; I14-V18 PolarHBondContact O-N 3.06Å; C15-V18 PolarHBondContact O-N 2.92Å; V18-E21 PolarHBondContact O-N 2.83Å; V18-F22 PolarHBondContact O-N 2.91Å; V18-F151 HydrophobicContact CG2-CD2 4.47Å; V18-F151 HydrophobicContact CG2-CE2 4.11Å; V18-I154 HydrophobicContact CG1-CG2 4.04Å; V18-I154 HydrophobicContact CG2-CG2 4.14Å
19V94.5Very high91Very high64 Ų6425.7 Ų25.739%0.38813%0.134SC..Hα-helixtrans-66.4-42.1175.9173.10000111C15 E21 F22 C23 V202C15-V19 WeakPolarHBondContact O-CG2 3.47Å; C15-V19 PolarHBondContact O-N 3.2Å; V19-E21 VanDerWaalsContact C-N 3.33Å; V19-E21 PolarHBondContact O-N 2.86Å; V19-F22 PolarHBondContact O-N 2.91Å; V19-C23 WeakPolarHBondContact O-CB 3.45Å; V19-C23 PolarHBondContact O-N 3.2Å; V19-C23 PolarHBondContact O-SG 3.38Å; V19-C23 VanDerWaalsContact O-SG 3.39Å; V19-V202 HydrophobicContact CB-CG1 4.04Å; V19-V202 HydrophobicContact CG1-CG1 3.94Å; V19-V202 HydrophobicContact CG1-CG2 4.22Å
20N94.9Very high92.1Very high1 Ų122.2 Ų22.21%0.00512%0.116CC..Hα-helixtrans-55.8-47.6172.7169.187.7000111.5F16 I17 C23 E24 A199 F203F16-N20 WeakPolarHBondContact O-CB 3.47Å; F16-N20 PolarHBondContact O-N 3.23Å; I17-N20 PolarHBondContact O-N 2.89Å; N20-C23 PolarHBondContact O-N 2.84Å; N20-E24 WeakPolarHBondContact O-CB 3.33Å; N20-E24 PolarHBondContact O-N 2.84Å; N20-A199 PolarHBondContact OD1-O 2.94Å; N20-F203 HydrophobicContact CB-CB 4.27Å; N20-F203 HydrophobicContact CB-CD2 4.33Å
21E93.6Very high92.9Very high7 Ų721 Ų213%0.03311%0.111CC..Hα-helixtrans-63.1-45.4178.9-172.265.8-158.900111.6I17 V18 V19 C23 E24 R25 V132 F155 I159I17-E21 WeakPolarHBondContact O-CB 3.47Å; I17-E21 PolarHBondContact O-N 2.98Å; V18-E21 PolarHBondContact O-N 2.83Å; V19-E21 VanDerWaalsContact C-N 3.33Å; V19-E21 PolarHBondContact O-N 2.86Å; E21-C23 PolarHBondContact O-N 2.83Å; E21-E24 PolarHBondContact O-N 3.19Å; E21-R25 HydrophobicContact CG-CG 4.14Å; E21-R25 VanDerWaalsContact O-CB 3.31Å; E21-R25 WeakPolarHBondContact O-CB 3.48Å; E21-R25 WeakPolarHBondContact O-CG 3.31Å; E21-R25 PolarHBondContact O-N 3.47Å; E21-R25 WeakPolarHBondContact OE1-CG 3.49Å; E21-R25 IonicContact OE1-CZ 2.79Å; E21-R25 IonicContact OE1-NE 2.68Å; E21-R25 PolarHBondContact OE1-NE 2.83Å; E21-R25 IonicContact OE1-NH2 3.06Å; E21-V132 WeakPolarHBondContact OE2-CG1 3.46Å; E21-F155 HydrophobicContact CB-CD2 4.17Å; E21-F155 HydrophobicContact CB-CE2 3.63Å; E21-F155 HydrophobicContact CB-CZ 4.18Å; E21-F155 HydrophobicContact CG-CD2 4Å; E21-F155 HydrophobicContact CG-CE1 4.12Å; E21-F155 HydrophobicContact CG-CE2 3.4Å; E21-F155 VanDerWaalsContact CG-CE2 3.4Å; E21-F155 HydrophobicContact CG-CZ 3.47Å; E21-F155 VanDerWaalsContact CG-CZ 3.47Å; E21-F155 VanDerWaalsContact OE2-CZ 3.25Å; E21-F155 WeakPolarHBondContact OE2-CZ 3.33Å; E21-I159 HydrophobicContact CG-CG1 3.94Å
22F96.2Very high93.6Very high60 Ų6020.5 Ų20.526%0.26311%0.106SC..Hα-helixtrans-57.1-50177.1172.6-96000112V18 V19 R25 F26 A161 L165V18-F22 PolarHBondContact O-N 2.91Å; V19-F22 PolarHBondContact O-N 2.91Å; F22-R25 PolarHBondContact O-N 2.86Å; F22-F26 WeakPolarHBondContact O-CB 3.45Å; F22-F26 PolarHBondContact O-N 2.77Å; F22-A161 HydrophobicContact CD2-CB 4.34Å; F22-A161 HydrophobicContact CE2-CB 4.12Å; F22-L165 HydrophobicContact CE2-CD1 4Å; F22-L165 HydrophobicContact CZ-CD1 3.83Å
23C97.2Very high94.2Very high7 Ų718.9 Ų18.95%0.04710%0.096CC..Hα-helixtrans-66.4-41.1-178.3-70.30000112.3V19 N20 E21 S27 L195 A199V19-C23 WeakPolarHBondContact O-CB 3.45Å; V19-C23 PolarHBondContact O-N 3.2Å; V19-C23 PolarHBondContact O-SG 3.38Å; V19-C23 VanDerWaalsContact O-SG 3.39Å; N20-C23 PolarHBondContact O-N 2.84Å; E21-C23 PolarHBondContact O-N 2.83Å; C23-S27 WeakPolarHBondContact O-CB 3.34Å; C23-S27 PolarHBondContact O-N 2.81Å; C23-L195 WeakPolarHBondContact CB-O 3.39Å; C23-A199 HydrophobicContact CB-CB 3.67Å
24E95.9Very high94.7Very high1 Ų118.7 Ų18.71%0.00510%0.095CC..Hα-helixtrans-65.6-42.7176.3-175.4-83.5179.200111.2N20 E21 F26 S27 Y28 Y89 T125 I128 M196N20-E24 WeakPolarHBondContact O-CB 3.33Å; N20-E24 PolarHBondContact O-N 2.84Å; E21-E24 PolarHBondContact O-N 3.19Å; E24-F26 PolarHBondContact O-N 3.38Å; E24-S27 WeakPolarHBondContact O-CB 3.19Å; E24-S27 PolarHBondContact O-N 2.02Å; E24-S27 VanDerWaalsContact O-N 3.12Å; E24-Y28 PolarHBondContact O-N 2.82Å; E24-Y89 HydrophobicContact CG-CD1 4.47Å; E24-Y89 HydrophobicContact CG-CE1 3.81Å; E24-T125 PolarHBondContact OE1-OG1 2.82Å; E24-I128 HydrophobicContact CG-CD1 3.84Å; E24-M196 HydrophobicContact CB-SD 4.05Å; E24-M196 HydrophobicContact CG-CE 4.3Å; E24-M196 HydrophobicContact CG-SD 3.8Å
25R95.3Very high95.1Very high18 Ų1818.3 Ų18.37%0.0689%0.093CC..Hα-helixtrans-66.3-40.3179.2-69.1-73.1145.4-122.5-20.7111.3E21 F22 S27 Y28 Y29 I159E21-R25 HydrophobicContact CG-CG 4.14Å; E21-R25 VanDerWaalsContact O-CB 3.31Å; E21-R25 WeakPolarHBondContact O-CB 3.48Å; E21-R25 WeakPolarHBondContact O-CG 3.31Å; E21-R25 PolarHBondContact O-N 3.47Å; E21-R25 WeakPolarHBondContact OE1-CG 3.49Å; E21-R25 IonicContact OE1-CZ 2.79Å; E21-R25 IonicContact OE1-NE 2.68Å; E21-R25 PolarHBondContact OE1-NE 2.83Å; E21-R25 IonicContact OE1-NH2 3.06Å; F22-R25 PolarHBondContact O-N 2.86Å; R25-S27 VanDerWaalsContact C-N 3.32Å; R25-S27 PolarHBondContact O-N 2.83Å; R25-Y28 PolarHBondContact O-N 2.82Å; R25-Y29 HydrophobicContact CB-CD2 4.41Å; R25-Y29 VanDerWaalsContact O-CD2 3.23Å; R25-Y29 WeakPolarHBondContact O-CD2 3.49Å; R25-Y29 PolarHBondContact O-N 2.87Å; R25-I159 HydrophobicContact CG-CB 4.35Å; R25-I159 HydrophobicContact CG-CG1 3.93Å; R25-I159 HydrophobicContact CG-CG2 4.4Å
26F97.1Very high95.4Very high11 Ų1115.5 Ų15.55%0.0487%0.074CC..Hα-helixtrans-57.2-49.2170.9-173.4-67.9000110.6F22 E24 Y28 G30 L165 S166 I169 V191 L195F22-F26 WeakPolarHBondContact O-CB 3.45Å; F22-F26 PolarHBondContact O-N 2.77Å; E24-F26 PolarHBondContact O-N 3.38Å; F26-Y28 PolarHBondContact O-N 3.41Å; F26-G30 PolarHBondContact O-N 2.82Å; F26-L165 HydrophobicContact CD2-CB 4.1Å; F26-L165 HydrophobicContact CE2-CB 3.95Å; F26-S166 WeakPolarHBondContact O-CB 3.39Å; F26-I169 HydrophobicContact CE2-CD1 4.22Å; F26-I169 HydrophobicContact CZ-CB 4.26Å; F26-I169 HydrophobicContact CZ-CG2 4.37Å; F26-V191 HydrophobicContact CE1-CG1 4.19Å; F26-L195 HydrophobicContact CB-CD1 4.21Å; F26-L195 HydrophobicContact CD1-CD1 3.15Å; F26-L195 HydrophobicContact CD2-CD1 4.19Å; F26-L195 HydrophobicContact CE1-CD1 3.44Å; F26-L195 VanDerWaalsContact CE1-CD1 3.44Å; F26-L195 HydrophobicContact CE2-CD1 4.39Å; F26-L195 HydrophobicContact CG-CD1 3.58Å; F26-L195 HydrophobicContact CZ-CD1 4.06Å
27S97.3Very high95.4Very high0 Ų013 Ų130%06%0.063CC..Hα-helixtrans-59.9-46.9-178.2-171.50000112.3C23 E24 R25 M31 H93 P192C23-S27 WeakPolarHBondContact O-CB 3.34Å; C23-S27 PolarHBondContact O-N 2.81Å; E24-S27 WeakPolarHBondContact O-CB 3.19Å; E24-S27 PolarHBondContact O-N 2.02Å; E24-S27 VanDerWaalsContact O-N 3.12Å; R25-S27 VanDerWaalsContact C-N 3.32Å; R25-S27 PolarHBondContact O-N 2.83Å; S27-M31 VanDerWaalsContact O-CB 3.29Å; S27-M31 WeakPolarHBondContact O-CB 2.98Å; S27-M31 PolarHBondContact O-N 3.28Å; S27-H93 PolarHBondContact OG-CE1 2.94Å; S27-H93 PolarHBondContact OG-NE2 3.06Å; S27-P192 VanDerWaalsContact OG-C 3.31Å; S27-P192 WeakPolarHBondContact OG-CB 3.18Å; S27-P192 PolarHBondContact OG-O 3.44Å
28Y96.4Very high95.5Very high0 Ų013 Ų130%06%0.063CC..Hα-helixtrans-63-55.8-179.8178.6-104.1000112.1E24 R25 F26 K32 F57 C61 Y89 T125E24-Y28 PolarHBondContact O-N 2.82Å; R25-Y28 PolarHBondContact O-N 2.82Å; F26-Y28 PolarHBondContact O-N 3.41Å; Y28-K32 HydrophobicContact CE1-CD 4.16Å; Y28-K32 VanDerWaalsContact O-CB 3.24Å; Y28-K32 WeakPolarHBondContact O-CB 3.07Å; Y28-K32 PolarHBondContact O-N 3.5Å; Y28-F57 HydrophobicContact CE2-CZ 4.36Å; Y28-C61 HydrophobicContact CE2-CB 4.49Å; Y28-Y89 WeakPolarHBondContact CB-OH 3.44Å; Y28-T125 HydrophobicContact CD2-CG2 4.02Å; Y28-T125 HydrophobicContact CE2-CG2 3.94Å
29Y96.1Very high95.7Very high65 Ų6511.8 Ų11.826%0.2556%0.056SC..Hα-helixtrans-70.1-38.3-175.1-75.5-68.4000112.3R25 K32 A33 S166R25-Y29 HydrophobicContact CB-CD2 4.41Å; R25-Y29 VanDerWaalsContact O-CD2 3.23Å; R25-Y29 WeakPolarHBondContact O-CD2 3.49Å; R25-Y29 PolarHBondContact O-N 2.87Å; Y29-K32 PolarHBondContact O-N 2.98Å; Y29-A33 VanDerWaalsContact O-CB 3.31Å; Y29-A33 WeakPolarHBondContact O-CB 3.19Å; Y29-A33 PolarHBondContact O-N 3.04Å; Y29-S166 VanDerWaalsContact CB-OG 3.26Å; Y29-S166 WeakPolarHBondContact CB-OG 3.45Å
30G95.9Very high95.5Very high0 Ų09.3 Ų9.30%04%0.041CC..Hα-helixtrans-63.5-46.8177.900000112.5F26 A33 S166 T170F26-G30 PolarHBondContact O-N 2.82Å; G30-A33 PolarHBondContact O-N 2.7Å; G30-S166 PolarHBondContact N-OG 3.29Å; G30-T170 VanDerWaalsContact O-CG2 3.31Å; G30-T170 WeakPolarHBondContact O-CG2 3.28Å
31M96Very high95.2Very high0 Ų010.2 Ų10.20%05%0.047CC..Hα-helixtrans-64.9-44.2175.7-179.6-78.9-59.900111.7S27 A33 L35 F57 L118 I121 F189 P192S27-M31 VanDerWaalsContact O-CB 3.29Å; S27-M31 WeakPolarHBondContact O-CB 2.98Å; S27-M31 PolarHBondContact O-N 3.28Å; M31-A33 VanDerWaalsContact C-N 3.3Å; M31-A33 PolarHBondContact O-N 3.46Å; M31-L35 HydrophobicContact SD-CD1 4.34Å; M31-L35 HydrophobicContact SD-CD2 4.4Å; M31-F57 HydrophobicContact CE-CE1 3.94Å; M31-F57 HydrophobicContact CE-CE2 4.41Å; M31-F57 HydrophobicContact CE-CZ 3.56Å; M31-L118 HydrophobicContact SD-CD2 4.11Å; M31-I121 HydrophobicContact CE-CD1 4.22Å; M31-I121 HydrophobicContact CE-CG2 3.61Å; M31-F189 HydrophobicContact CB-CD1 4.39Å; M31-F189 HydrophobicContact CG-CD1 3.69Å; M31-F189 HydrophobicContact CG-CE1 3.86Å; M31-P192 HydrophobicContact CB-CB 4.34Å; M31-P192 HydrophobicContact CB-CG 4.43Å
32K95.9Very high95Very high13 Ų1312.2 Ų12.26%0.0576%0.055CC..Hα-helixtrans-62.1-37.6179.6-166.5-172.6-171.5-158.60111.5Y28 Y29 V34 L35 Y54 S58 D284Y28-K32 HydrophobicContact CE1-CD 4.16Å; Y28-K32 VanDerWaalsContact O-CB 3.24Å; Y28-K32 WeakPolarHBondContact O-CB 3.07Å; Y28-K32 PolarHBondContact O-N 3.5Å; Y29-K32 PolarHBondContact O-N 2.98Å; K32-V34 PolarHBondContact O-N 2.86Å; K32-L35 WeakPolarHBondContact O-CB 3.37Å; K32-L35 PolarHBondContact O-N 2.98Å; K32-Y54 WeakPolarHBondContact CE-OH 3.42Å; K32-Y54 HydrophobicContact CG-CE2 3.89Å; K32-Y54 WeakPolarHBondContact CG-OH 3.34Å; K32-Y54 WeakPolarHBondContact O-CE2 3.48Å; K32-S58 PolarHBondContact NZ-OG 3.02Å; K32-D284 IonicContact NZ-OD1 3.34Å; K32-D284 PolarHBondContact NZ-OD1 3.29Å
33A95.6Very high94.8Very high0 Ų09.8 Ų9.80%05%0.045CC..Hα-helixtrans-61.6-41.1-175.700000113.5Y29 G30 M31 T167 Q313Y29-A33 VanDerWaalsContact O-CB 3.31Å; Y29-A33 WeakPolarHBondContact O-CB 3.19Å; Y29-A33 PolarHBondContact O-N 3.04Å; G30-A33 PolarHBondContact O-N 2.7Å; M31-A33 VanDerWaalsContact C-N 3.3Å; M31-A33 PolarHBondContact O-N 3.46Å; A33-T167 HydrophobicContact CB-CG2 4.24Å; A33-Q313 PolarHBondContact O-NE2 2.72Å; A33-Q313 VanDerWaalsContact O-NE2 3.14Å
34V95.9Very high94.4Very high0 Ų017.1 Ų17.10%08%0.075CC..THydrogen-bonded Turntrans-89.6-3-176.6-57.50000113.7K32 T36 L37 Y38 T170 P171 F189 D310K32-V34 PolarHBondContact O-N 2.86Å; V34-T36 PolarHBondContact O-N 3.03Å; V34-L37 PolarHBondContact O-N 2.9Å; V34-Y38 PolarHBondContact O-N 3.2Å; V34-T170 HydrophobicContact CG1-CG2 3.84Å; V34-T170 HydrophobicContact CG2-CG2 4.28Å; V34-P171 HydrophobicContact CG1-CG 4.13Å; V34-F189 HydrophobicContact CG2-CD1 4.21Å; V34-F189 HydrophobicContact CG2-CE1 3.52Å; V34-F189 HydrophobicContact CG2-CZ 3.92Å; V34-D310 WeakPolarHBondContact CG1-OD2 3.26Å
35L96.3Very high94.2Very high0 Ų019 Ų190%08%0.082CC..Hα-helixtrans-68.3-40.7-166-171.762.7000113.2M31 K32 Y38 F39 Y54 F57 L118 F189M31-L35 HydrophobicContact SD-CD1 4.34Å; M31-L35 HydrophobicContact SD-CD2 4.4Å; K32-L35 WeakPolarHBondContact O-CB 3.37Å; K32-L35 PolarHBondContact O-N 2.98Å; L35-Y38 WeakPolarHBondContact O-CB 3.39Å; L35-Y38 PolarHBondContact O-N 2.85Å; L35-F39 HydrophobicContact CD1-CE1 3.66Å; L35-F39 HydrophobicContact CD1-CE2 4.12Å; L35-F39 HydrophobicContact CD1-CZ 3.44Å; L35-F39 VanDerWaalsContact CD1-CZ 3.44Å; L35-F39 HydrophobicContact CD2-CE2 4.01Å; L35-F39 HydrophobicContact CD2-CZ 3.82Å; L35-F39 HydrophobicContact CG-CD2 4.38Å; L35-F39 HydrophobicContact CG-CE1 4.09Å; L35-F39 HydrophobicContact CG-CE2 3.58Å; L35-F39 HydrophobicContact CG-CZ 3.41Å; L35-F39 VanDerWaalsContact CG-CZ 3.41Å; L35-F39 WeakPolarHBondContact O-CD2 2.91Å; L35-F39 WeakPolarHBondContact O-CG 3.48Å; L35-F39 PolarHBondContact O-N 2.83Å; L35-F39 VanDerWaalsContact O-N 3.12Å; L35-Y54 HydrophobicContact CB-CD2 4.18Å; L35-Y54 HydrophobicContact CB-CE2 4.4Å; L35-Y54 HydrophobicContact CD2-CD2 4.11Å; L35-Y54 HydrophobicContact CG-CD2 4.41Å; L35-F57 HydrophobicContact CD2-CD1 3.87Å; L35-F57 HydrophobicContact CD2-CE1 4.36Å; L35-F57 HydrophobicContact CD2-CG 4.42Å; L35-L118 HydrophobicContact CD1-CD1 4.32Å; L35-L118 HydrophobicContact CD1-CD2 4Å; L35-L118 HydrophobicContact CD2-CD1 4.48Å; L35-L118 HydrophobicContact CD2-CD2 3.94Å; L35-F189 HydrophobicContact CD1-CZ 4.45Å
36T95.4Very high93.9Very high0 Ų022.2 Ų22.20%010%0.101CC..Hα-helixtrans-64.3-44.9178.1-65.90000111.5V34 Y38 F39 V40 Y54 G287 L292V34-T36 PolarHBondContact O-N 3.03Å; T36-Y38 VanDerWaalsContact C-N 3.31Å; T36-Y38 PolarHBondContact O-N 3.3Å; T36-F39 PolarHBondContact O-N 3.14Å; T36-V40 WeakPolarHBondContact O-CG2 3.47Å; T36-V40 PolarHBondContact O-N 2.81Å; T36-V40 VanDerWaalsContact O-N 3.17Å; T36-Y54 WeakPolarHBondContact OG1-CD2 3.26Å; T36-G287 PolarHBondContact OG1-O 2.87Å; T36-L292 HydrophobicContact CG2-CD1 4.22Å; T36-L292 HydrophobicContact CG2-CD2 3.9Å; T36-L292 HydrophobicContact CG2-CG 3.9Å
37L93.8Very high93.6Very high0 Ų025.6 Ų25.60%012%0.116CC..Hα-helixtrans-65.5-35.6176.1-62-176.3000111.6V34 F39 V40 S41 Y185 T291 T295 D310V34-L37 PolarHBondContact O-N 2.9Å; L37-F39 VanDerWaalsContact C-N 3.31Å; L37-F39 PolarHBondContact O-N 3.43Å; L37-V40 PolarHBondContact O-N 2.82Å; L37-S41 WeakPolarHBondContact O-CA 3.24Å; L37-S41 VanDerWaalsContact O-CB 3.28Å; L37-S41 WeakPolarHBondContact O-CB 3.33Å; L37-S41 PolarHBondContact O-N 2.82Å; L37-S41 PolarHBondContact O-OG 2.82Å; L37-Y185 VanDerWaalsContact C-OH 3.26Å; L37-Y185 WeakPolarHBondContact CB-OH 3.35Å; L37-Y185 PolarHBondContact O-OH 2.94Å; L37-T291 HydrophobicContact CD1-CG2 4.39Å; L37-T291 HydrophobicContact CD2-CG2 4.1Å; L37-T291 HydrophobicContact CG-CG2 4.07Å; L37-T295 HydrophobicContact CD2-CG2 3.64Å; L37-D310 HydrophobicContact CD1-CB 4.03Å
38Y95Very high93.3Very high0 Ų028.1 Ų28.10%013%0.129CC..Iπ-helixtrans-58.7-41.6172.6173.4-99.5000112.7V34 L35 T36 Y42 L43 K96 A100 S114 Y185 F189V34-Y38 PolarHBondContact O-N 3.2Å; L35-Y38 WeakPolarHBondContact O-CB 3.39Å; L35-Y38 PolarHBondContact O-N 2.85Å; T36-Y38 VanDerWaalsContact C-N 3.31Å; T36-Y38 PolarHBondContact O-N 3.3Å; Y38-Y42 AromaticContact CD2-CD1 4Å; Y38-Y42 HydrophobicContact CD2-CD1 4Å; Y38-Y42 AromaticContact CD2-CG 3.92Å; Y38-Y42 HydrophobicContact CD2-CG 3.92Å; Y38-Y42 AromaticContact CE2-CD1 3.23Å; Y38-Y42 HydrophobicContact CE2-CD1 3.23Å; Y38-Y42 HydrophobicContact CE2-CD2 4.43Å; Y38-Y42 AromaticContact CE2-CE1 3.85Å; Y38-Y42 HydrophobicContact CE2-CE1 3.85Å; Y38-Y42 AromaticContact CE2-CG 3.59Å; Y38-Y42 HydrophobicContact CE2-CG 3.59Å; Y38-Y42 AromaticContact CZ-CD1 3.62Å; Y38-Y42 WeakPolarHBondContact O-CA 3.33Å; Y38-Y42 VanDerWaalsContact O-CB 3.23Å; Y38-Y42 WeakPolarHBondContact O-CB 3.48Å; Y38-Y42 PolarHBondContact O-N 2.87Å; Y38-L43 HydrophobicContact CD1-CD1 4.41Å; Y38-L43 HydrophobicContact CD1-CG 4.36Å; Y38-L43 HydrophobicContact CE1-CD1 3.73Å; Y38-L43 HydrophobicContact CE1-CD2 4.16Å; Y38-L43 HydrophobicContact CE1-CG 3.7Å; Y38-L43 PolarHBondContact O-N 3.36Å; Y38-K96 VanDerWaalsContact CD1-NZ 3.33Å; Y38-K96 PolarHBondContact OH-NZ 2.88Å; Y38-A100 HydrophobicContact CE2-CB 3.84Å; Y38-S114 WeakPolarHBondContact CE1-OG 3.13Å; Y38-Y185 VanDerWaalsContact CA-CE1 3.47Å; Y38-Y185 AromaticContact CD2-CD1 3.65Å; Y38-Y185 HydrophobicContact CD2-CD1 3.65Å; Y38-Y185 HydrophobicContact CD2-CD2 4.39Å; Y38-Y185 HydrophobicContact CD2-CE1 4.2Å; Y38-Y185 AromaticContact CD2-CG 3.75Å; Y38-Y185 HydrophobicContact CD2-CG 3.75Å; Y38-Y185 HydrophobicContact CG-CD1 4.18Å; Y38-Y185 HydrophobicContact CG-CE1 4.42Å; Y38-F189 HydrophobicContact CD1-CE2 4.28Å; Y38-F189 HydrophobicContact CD1-CZ 4.24Å; Y38-F189 AromaticContact CD2-CE2 3.49Å; Y38-F189 HydrophobicContact CD2-CE2 3.49Å; Y38-F189 VanDerWaalsContact CD2-CE2 3.49Å; Y38-F189 HydrophobicContact CD2-CZ 4.03Å; Y38-F189 AromaticContact CE2-CE2 3.85Å; Y38-F189 HydrophobicContact CE2-CE2 3.85Å; Y38-F189 AromaticContact CG-CE2 3.69Å; Y38-F189 HydrophobicContact CG-CE2 3.69Å; Y38-F189 AromaticContact CG-CZ 3.74Å; Y38-F189 HydrophobicContact CG-CZ 3.74Å
39F95.4Very high93.1Very high0 Ų030.7 Ų30.70%014%0.143CC..Iπ-helixtrans-66.7-42.8178.8-61.1-31.4000112.5L35 T36 L37 L43 K44 W45 S50 I53 M115 L118L35-F39 HydrophobicContact CD1-CE1 3.66Å; L35-F39 HydrophobicContact CD1-CE2 4.12Å; L35-F39 HydrophobicContact CD1-CZ 3.44Å; L35-F39 VanDerWaalsContact CD1-CZ 3.44Å; L35-F39 HydrophobicContact CD2-CE2 4.01Å; L35-F39 HydrophobicContact CD2-CZ 3.82Å; L35-F39 HydrophobicContact CG-CD2 4.38Å; L35-F39 HydrophobicContact CG-CE1 4.09Å; L35-F39 HydrophobicContact CG-CE2 3.58Å; L35-F39 HydrophobicContact CG-CZ 3.41Å; L35-F39 VanDerWaalsContact CG-CZ 3.41Å; L35-F39 WeakPolarHBondContact O-CD2 2.91Å; L35-F39 WeakPolarHBondContact O-CG 3.48Å; L35-F39 PolarHBondContact O-N 2.83Å; L35-F39 VanDerWaalsContact O-N 3.12Å; T36-F39 PolarHBondContact O-N 3.14Å; L37-F39 VanDerWaalsContact C-N 3.31Å; L37-F39 PolarHBondContact O-N 3.43Å; F39-L43 HydrophobicContact CD1-CD1 3.89Å; F39-L43 HydrophobicContact CE1-CD1 4.45Å; F39-L43 CarbonylContact O-C 3.6Å; F39-L43 WeakPolarHBondContact O-CB 3.13Å; F39-L43 PolarHBondContact O-N 2.88Å; F39-K44 PolarHBondContact O-N 2.87Å; F39-W45 HydrophobicContact CB-CE3 3.96Å; F39-W45 HydrophobicContact CD1-CE3 4.14Å; F39-W45 AromaticContact CD1-CZ3 3.97Å; F39-W45 HydrophobicContact CD1-CZ3 3.97Å; F39-W45 HydrophobicContact CE1-CZ3 4.28Å; F39-W45 HydrophobicContact CG-CE3 4.05Å; F39-W45 HydrophobicContact CG-CZ3 4.22Å; F39-W45 PolarHBondContact O-N 2.83Å; F39-S50 VanDerWaalsContact CB-OG 3.26Å; F39-S50 WeakPolarHBondContact CB-OG 3.35Å; F39-S50 WeakPolarHBondContact CD2-O 3.1Å; F39-I53 HydrophobicContact CE1-CG2 4.46Å; F39-I53 HydrophobicContact CE2-CB 4.15Å; F39-I53 HydrophobicContact CE2-CG2 3.85Å; F39-I53 HydrophobicContact CZ-CB 4.49Å; F39-I53 HydrophobicContact CZ-CG2 3.72Å; F39-M115 HydrophobicContact CE1-CE 4.13Å; F39-L118 HydrophobicContact CE1-CD1 4.03Å; F39-L118 HydrophobicContact CZ-CD1 3.67Å
40V91.3Very high93.1Very high12 Ų1227.6 Ų27.67%0.07313%0.131CC..Iπ-helixtrans-78.1-52.2-178-167.90000111T36 L37 K44 S50 L292 E476T36-V40 WeakPolarHBondContact O-CG2 3.47Å; T36-V40 PolarHBondContact O-N 2.81Å; T36-V40 VanDerWaalsContact O-N 3.17Å; L37-V40 PolarHBondContact O-N 2.82Å; V40-K44 VanDerWaalsContact O-CA 3.26Å; V40-K44 WeakPolarHBondContact O-CA 3.46Å; V40-K44 PolarHBondContact O-N 2.92Å; V40-S50 WeakPolarHBondContact CG2-OG 3.26Å; V40-L292 HydrophobicContact CG2-CD2 4.08Å; V40-E476 WeakPolarHBondContact CB-OE2 3.37Å; V40-E476 HydrophobicContact CG1-CG 4.42Å; V40-E476 WeakPolarHBondContact CG1-OE1 3.41Å; V40-E476 WeakPolarHBondContact CG1-OE2 3.44Å
41S87.3Confident93Very high20 Ų2027.6 Ų27.614%0.1413%0.131CC..Iπ-helixtrans-76.3-39.8-174.1-38.40000113.3L37 K44 Y185 E476L37-S41 WeakPolarHBondContact O-CA 3.24Å; L37-S41 VanDerWaalsContact O-CB 3.28Å; L37-S41 WeakPolarHBondContact O-CB 3.33Å; L37-S41 PolarHBondContact O-N 2.82Å; L37-S41 PolarHBondContact O-OG 2.82Å; S41-K44 WeakPolarHBondContact O-CD 3.47Å; S41-K44 WeakPolarHBondContact O-CE 3.47Å; S41-K44 PolarHBondContact O-NZ 2.84Å; S41-Y185 PolarHBondContact OG-OH 2.93Å; S41-E476 WeakPolarHBondContact CA-OE2 3.2Å; S41-E476 WeakPolarHBondContact CB-OE2 3.25Å; S41-E476 PolarHBondContact N-OE2 3.04Å; S41-E476 VanDerWaalsContact N-OE2 3.08Å; S41-E476 PolarHBondContact OG-OE2 3.37Å
42Y89.9Confident93Very high50 Ų5027.9 Ų27.920%0.19613%0.133CC..Iπ-helixtrans-98.6-49-172.4-172.6-86.9000112.5Y38 K44 P102 H110 Y185Y38-Y42 AromaticContact CD2-CD1 4Å; Y38-Y42 HydrophobicContact CD2-CD1 4Å; Y38-Y42 AromaticContact CD2-CG 3.92Å; Y38-Y42 HydrophobicContact CD2-CG 3.92Å; Y38-Y42 AromaticContact CE2-CD1 3.23Å; Y38-Y42 HydrophobicContact CE2-CD1 3.23Å; Y38-Y42 HydrophobicContact CE2-CD2 4.43Å; Y38-Y42 AromaticContact CE2-CE1 3.85Å; Y38-Y42 HydrophobicContact CE2-CE1 3.85Å; Y38-Y42 AromaticContact CE2-CG 3.59Å; Y38-Y42 HydrophobicContact CE2-CG 3.59Å; Y38-Y42 AromaticContact CZ-CD1 3.62Å; Y38-Y42 WeakPolarHBondContact O-CA 3.33Å; Y38-Y42 VanDerWaalsContact O-CB 3.23Å; Y38-Y42 WeakPolarHBondContact O-CB 3.48Å; Y38-Y42 PolarHBondContact O-N 2.87Å; Y42-K44 VanDerWaalsContact C-N 3.3Å; Y42-P102 HydrophobicContact CE2-CG 4.2Å; Y42-P102 WeakPolarHBondContact OH-CA 3.46Å; Y42-H110 HydrophobicContact CE1-CB 4.42Å; Y42-Y185 HydrophobicContact CD2-CD2 4.11Å; Y42-Y185 HydrophobicContact CG-CD2 4.45Å
43L91.9Very high93Very high9 Ų929.2 Ų29.25%0.04714%0.14CC..THydrogen-bonded Turntrans-80.7-8.9176.8-61.7-174.2000113.8Y38 F39 W45 H110 I111Y38-L43 HydrophobicContact CD1-CD1 4.41Å; Y38-L43 HydrophobicContact CD1-CG 4.36Å; Y38-L43 HydrophobicContact CE1-CD1 3.73Å; Y38-L43 HydrophobicContact CE1-CD2 4.16Å; Y38-L43 HydrophobicContact CE1-CG 3.7Å; Y38-L43 PolarHBondContact O-N 3.36Å; F39-L43 HydrophobicContact CD1-CD1 3.89Å; F39-L43 HydrophobicContact CE1-CD1 4.45Å; F39-L43 CarbonylContact O-C 3.6Å; F39-L43 WeakPolarHBondContact O-CB 3.13Å; F39-L43 PolarHBondContact O-N 2.88Å; L43-W45 HydrophobicContact CB-CD2 4.14Å; L43-W45 HydrophobicContact CB-CG 4.22Å; L43-W45 HydrophobicContact CD1-CD2 4.24Å; L43-W45 HydrophobicContact CD1-CE3 4.22Å; L43-W45 HydrophobicContact CD1-CH2 3.86Å; L43-W45 HydrophobicContact CD1-CZ2 3.86Å; L43-W45 HydrophobicContact CD1-CZ3 4.02Å; L43-W45 PolarHBondContact O-N 3.04Å; L43-H110 HydrophobicContact CD2-CB 4.04Å; L43-I111 HydrophobicContact CD1-CG1 4.42Å; L43-I111 HydrophobicContact CD2-CG1 4.14Å
44K89.8Confident93.1Very high160 Ų16029.4 Ų29.470%0.69614%0.141SC*.  trans58.232.7179.6-53.5-57.3-172.2-170.90113.2F39 V40 S41 Y42F39-K44 PolarHBondContact O-N 2.87Å; V40-K44 VanDerWaalsContact O-CA 3.26Å; V40-K44 WeakPolarHBondContact O-CA 3.46Å; V40-K44 PolarHBondContact O-N 2.92Å; S41-K44 WeakPolarHBondContact O-CD 3.47Å; S41-K44 WeakPolarHBondContact O-CE 3.47Å; S41-K44 PolarHBondContact O-NZ 2.84Å; Y42-K44 VanDerWaalsContact C-N 3.3Å
45W91.3Very high93.2Very high40 Ų4029.4 Ų29.415%0.15214%0.141CC..  trans-80152.8172.4-68.4-10.4000110.9F39 L43 L49 I53 I111 M115F39-W45 HydrophobicContact CB-CE3 3.96Å; F39-W45 HydrophobicContact CD1-CE3 4.14Å; F39-W45 AromaticContact CD1-CZ3 3.97Å; F39-W45 HydrophobicContact CD1-CZ3 3.97Å; F39-W45 HydrophobicContact CE1-CZ3 4.28Å; F39-W45 HydrophobicContact CG-CE3 4.05Å; F39-W45 HydrophobicContact CG-CZ3 4.22Å; F39-W45 PolarHBondContact O-N 2.83Å; L43-W45 HydrophobicContact CB-CD2 4.14Å; L43-W45 HydrophobicContact CB-CG 4.22Å; L43-W45 HydrophobicContact CD1-CD2 4.24Å; L43-W45 HydrophobicContact CD1-CE3 4.22Å; L43-W45 HydrophobicContact CD1-CH2 3.86Å; L43-W45 HydrophobicContact CD1-CZ2 3.86Å; L43-W45 HydrophobicContact CD1-CZ3 4.02Å; L43-W45 PolarHBondContact O-N 3.04Å; W45-L49 HydrophobicContact CB-CD2 4.08Å; W45-L49 HydrophobicContact CB-CG 4.45Å; W45-L49 HydrophobicContact CD2-CD2 3.87Å; W45-L49 HydrophobicContact CD2-CG 4.28Å; W45-L49 HydrophobicContact CE3-CD2 4.31Å; W45-L49 HydrophobicContact CE3-CG 4.23Å; W45-L49 HydrophobicContact CG-CD2 3.77Å; W45-L49 HydrophobicContact CG-CG 4.42Å; W45-I53 HydrophobicContact CE3-CG1 4.47Å; W45-I53 HydrophobicContact CH2-CG1 4.48Å; W45-I53 HydrophobicContact CZ3-CB 4.19Å; W45-I53 HydrophobicContact CZ3-CG1 3.84Å; W45-I53 HydrophobicContact CZ3-CG2 4.13Å; W45-I111 HydrophobicContact CH2-CG2 4.45Å; W45-I111 HydrophobicContact CZ2-CB 4.45Å; W45-I111 HydrophobicContact CZ2-CD1 4.23Å; W45-I111 HydrophobicContact CZ2-CG1 3.92Å; W45-I111 HydrophobicContact CZ2-CG2 3.82Å; W45-M115 HydrophobicContact CH2-CE 3.6Å; W45-M115 HydrophobicContact CH2-SD 4Å; W45-M115 HydrophobicContact CZ3-CE 3.98Å
46D89.3Confident93.2Very high86 Ų8631.3 Ų31.346%0.4616%0.157SC..  trans-67.4167.9172.168.686.5000111.2D48 L49 S50D46-D48 VanDerWaalsContact C-N 3.3Å; D46-D48 PolarHBondContact O-N 2.89Å; D46-D48 WeakPolarHBondContact OD1-CA 3.48Å; D46-D48 WeakPolarHBondContact OD1-CB 3.43Å; D46-D48 PolarHBondContact OD1-N 2.04Å; D46-L49 PolarHBondContact OD1-N 2.98Å; D46-L49 VanDerWaalsContact OD2-CB 3.29Å; D46-L49 WeakPolarHBondContact OD2-CB 3.16Å; D46-S50 VanDerWaalsContact O-CB 3.24Å; D46-S50 WeakPolarHBondContact O-CB 3.31Å; D46-S50 PolarHBondContact O-N 3.19Å; D46-S50 PolarHBondContact O-OG 2.78Å
47K89.3Confident93.3Very high83 Ų8331.8 Ų31.836%0.36116%0.159SC..Hα-helixtrans-67.3-30.8-174.4-69.1178.8-174.6172.60112.8T51 L292K47-T51 WeakPolarHBondContact O-CB 2.96Å; K47-T51 PolarHBondContact O-N 3.34Å; K47-T51 VanDerWaalsContact O-N 3.12Å; K47-T51 PolarHBondContact O-OG1 2.81Å; K47-L292 HydrophobicContact CB-CD1 3.92Å; K47-L292 HydrophobicContact CD-CD1 4.49Å; K47-L292 HydrophobicContact CG-CD1 4.12Å; K47-L292 HydrophobicContact CG-CD2 4.4Å
48D91.4Very high93.4Very high53 Ų5331.8 Ų31.828%0.28316%0.159SC..Hα-helixtrans-78.8-48.3-176-62.6-26.7000109.5D46 S50 T51 A52 R289D46-D48 VanDerWaalsContact C-N 3.3Å; D46-D48 PolarHBondContact O-N 2.89Å; D46-D48 WeakPolarHBondContact OD1-CA 3.48Å; D46-D48 WeakPolarHBondContact OD1-CB 3.43Å; D46-D48 PolarHBondContact OD1-N 2.04Å; D48-S50 VanDerWaalsContact C-N 3.32Å; D48-S50 PolarHBondContact O-N 3.03Å; D48-T51 CarbonylContact O-C 3.54Å; D48-T51 WeakPolarHBondContact O-CA 3.38Å; D48-T51 WeakPolarHBondContact O-CB 3Å; D48-T51 PolarHBondContact O-N 3.48Å; D48-T51 VanDerWaalsContact O-N 3.08Å; D48-A52 WeakPolarHBondContact O-CB 3.45Å; D48-A52 PolarHBondContact O-N 2.84Å; D48-R289 IonicContact OD1-CZ 3.47Å; D48-R289 IonicContact OD1-NH1 3.88Å; D48-R289 PolarHBondContact OD1-NH1 2.83Å; D48-R289 IonicContact OD1-NH2 2.72Å; D48-R289 PolarHBondContact OD1-NH2 3.5Å
49L93.2Very high93.5Very high54 Ų5432 Ų3228%0.28316%0.162SC..Hα-helixtrans-58.5-43.7173.3-179.760.8000112W45 D46 T51 A52 I53 E629W45-L49 HydrophobicContact CB-CD2 4.08Å; W45-L49 HydrophobicContact CB-CG 4.45Å; W45-L49 HydrophobicContact CD2-CD2 3.87Å; W45-L49 HydrophobicContact CD2-CG 4.28Å; W45-L49 HydrophobicContact CE3-CD2 4.31Å; W45-L49 HydrophobicContact CE3-CG 4.23Å; W45-L49 HydrophobicContact CG-CD2 3.77Å; W45-L49 HydrophobicContact CG-CG 4.42Å; D46-L49 PolarHBondContact OD1-N 2.98Å; D46-L49 VanDerWaalsContact OD2-CB 3.29Å; D46-L49 WeakPolarHBondContact OD2-CB 3.16Å; L49-T51 VanDerWaalsContact C-N 3.29Å; L49-T51 PolarHBondContact O-N 2.91Å; L49-A52 PolarHBondContact O-N 3.26Å; L49-I53 HydrophobicContact CD1-CD1 4.44Å; L49-I53 HydrophobicContact CD1-CG1 4.02Å; L49-I53 HydrophobicContact CG-CG1 4.47Å; L49-I53 WeakPolarHBondContact O-CG1 3.2Å; L49-I53 PolarHBondContact O-N 3.45Å; L49-E629 VanDerWaalsContact CA-OE1 3.28Å; L49-E629 WeakPolarHBondContact CA-OE1 3.49Å; L49-E629 PolarHBondContact N-OE1 2.98Å
50S94.7Very high93.6Very high0 Ų034.7 Ų34.70%018%0.176CC..Hα-helixtrans-61-39.3176.8-63.10000112.2F39 V40 D46 D48 Y54F39-S50 VanDerWaalsContact CB-OG 3.26Å; F39-S50 WeakPolarHBondContact CB-OG 3.35Å; F39-S50 WeakPolarHBondContact CD2-O 3.1Å; V40-S50 WeakPolarHBondContact CG2-OG 3.26Å; D46-S50 VanDerWaalsContact O-CB 3.24Å; D46-S50 WeakPolarHBondContact O-CB 3.31Å; D46-S50 PolarHBondContact O-N 3.19Å; D46-S50 PolarHBondContact O-OG 2.78Å; D48-S50 VanDerWaalsContact C-N 3.32Å; D48-S50 PolarHBondContact O-N 3.03Å; S50-Y54 WeakPolarHBondContact O-CB 3.27Å; S50-Y54 PolarHBondContact O-N 2.9Å; S50-Y54 VanDerWaalsContact O-N 3.16Å
51T95.3Very high93.8Very high0 Ų034.1 Ų34.10%017%0.172CC..Hα-helixtrans-68.1-45.3175.5-61.30000110.5K47 D48 L49 I53 Y54 H55 R289 V624 A628K47-T51 WeakPolarHBondContact O-CB 2.96Å; K47-T51 PolarHBondContact O-N 3.34Å; K47-T51 VanDerWaalsContact O-N 3.12Å; K47-T51 PolarHBondContact O-OG1 2.81Å; D48-T51 CarbonylContact O-C 3.54Å; D48-T51 WeakPolarHBondContact O-CA 3.38Å; D48-T51 WeakPolarHBondContact O-CB 3Å; D48-T51 PolarHBondContact O-N 3.48Å; D48-T51 VanDerWaalsContact O-N 3.08Å; L49-T51 VanDerWaalsContact C-N 3.29Å; L49-T51 PolarHBondContact O-N 2.91Å; T51-I53 PolarHBondContact O-N 2.9Å; T51-Y54 WeakPolarHBondContact O-CB 3.43Å; T51-Y54 PolarHBondContact O-N 2.77Å; T51-H55 PolarHBondContact O-CD2 3.04Å; T51-H55 PolarHBondContact O-N 2.81Å; T51-R289 HydrophobicContact CG2-CG 4.18Å; T51-V624 HydrophobicContact CG2-CG1 4.29Å; T51-A628 HydrophobicContact CG2-CB 4.09Å
52A95.3Very high94.1Very high5 Ų534.9 Ų34.94%0.04117%0.172CC..Hα-helixtrans-59.8-47.5179.700000112.3D48 L49 H55 A56 L625 E629D48-A52 WeakPolarHBondContact O-CB 3.45Å; D48-A52 PolarHBondContact O-N 2.84Å; L49-A52 PolarHBondContact O-N 3.26Å; A52-H55 PolarHBondContact O-N 2.96Å; A52-A56 WeakPolarHBondContact O-CB 3.34Å; A52-A56 PolarHBondContact O-N 3.33Å; A52-L625 HydrophobicContact CB-CG 4.36Å; A52-E629 HydrophobicContact CB-CG 3.74Å; A52-E629 WeakPolarHBondContact CB-OE1 2.96Å
53I96.2Very high94.4Very high42 Ų4237 Ų3722%0.21518%0.183CC..Hα-helixtrans-68.3-37.8179.3-62.1-63000111.8F39 W45 L49 T51 H55 A56 F57 M115F39-I53 HydrophobicContact CE1-CG2 4.46Å; F39-I53 HydrophobicContact CE2-CB 4.15Å; F39-I53 HydrophobicContact CE2-CG2 3.85Å; F39-I53 HydrophobicContact CZ-CB 4.49Å; F39-I53 HydrophobicContact CZ-CG2 3.72Å; W45-I53 HydrophobicContact CE3-CG1 4.47Å; W45-I53 HydrophobicContact CH2-CG1 4.48Å; W45-I53 HydrophobicContact CZ3-CB 4.19Å; W45-I53 HydrophobicContact CZ3-CG1 3.84Å; W45-I53 HydrophobicContact CZ3-CG2 4.13Å; L49-I53 HydrophobicContact CD1-CD1 4.44Å; L49-I53 HydrophobicContact CD1-CG1 4.02Å; L49-I53 HydrophobicContact CG-CG1 4.47Å; L49-I53 WeakPolarHBondContact O-CG1 3.2Å; L49-I53 PolarHBondContact O-N 3.45Å; T51-I53 PolarHBondContact O-N 2.9Å; I53-H55 VanDerWaalsContact C-N 3.33Å; I53-H55 PolarHBondContact O-N 2.89Å; I53-A56 PolarHBondContact O-N 2.94Å; I53-F57 WeakPolarHBondContact O-CB 3.44Å; I53-F57 PolarHBondContact O-N 2.87Å; I53-M115 HydrophobicContact CG2-CE 3.96Å; I53-M115 HydrophobicContact CG2-SD 3.94Å
54Y97.3Very high94.5Very high3 Ų336.8 Ų36.81%0.01218%0.182CC..Hα-helixtrans-56.8-47.8173.1179-84.8000111.5K32 L35 T36 S50 T51 F57 S58 G287K32-Y54 WeakPolarHBondContact CE-OH 3.42Å; K32-Y54 HydrophobicContact CG-CE2 3.89Å; K32-Y54 WeakPolarHBondContact CG-OH 3.34Å; K32-Y54 WeakPolarHBondContact O-CE2 3.48Å; L35-Y54 HydrophobicContact CB-CD2 4.18Å; L35-Y54 HydrophobicContact CB-CE2 4.4Å; L35-Y54 HydrophobicContact CD2-CD2 4.11Å; L35-Y54 HydrophobicContact CG-CD2 4.41Å; T36-Y54 WeakPolarHBondContact OG1-CD2 3.26Å; S50-Y54 WeakPolarHBondContact O-CB 3.27Å; S50-Y54 PolarHBondContact O-N 2.9Å; S50-Y54 VanDerWaalsContact O-N 3.16Å; T51-Y54 WeakPolarHBondContact O-CB 3.43Å; T51-Y54 PolarHBondContact O-N 2.77Å; Y54-F57 PolarHBondContact O-N 2.93Å; Y54-S58 WeakPolarHBondContact O-CB 3.37Å; Y54-S58 PolarHBondContact O-N 3.07Å; Y54-G287 WeakPolarHBondContact OH-CA 3.3Å
55H97.3Very high94.5Very high0 Ų029.2 Ų29.20%015%0.149CC..Hα-helixtrans-73.5-33.2179.4-73.1-67.3000112.6T51 A52 I53 F57 S58 G59 D284 S288 N621 V624T51-H55 PolarHBondContact O-CD2 3.04Å; T51-H55 PolarHBondContact O-N 2.81Å; A52-H55 PolarHBondContact O-N 2.96Å; I53-H55 VanDerWaalsContact C-N 3.33Å; I53-H55 PolarHBondContact O-N 2.89Å; H55-F57 VanDerWaalsContact C-N 3.33Å; H55-F57 PolarHBondContact O-N 2.98Å; H55-S58 PolarHBondContact O-N 3.45Å; H55-G59 PolarHBondContact O-N 2.81Å; H55-D284 PolarHBondContact CE1-O 3.31Å; H55-S288 PolarHBondContact NE2-OG 2.88Å; H55-N621 HydrophobicContact CB-CB 4.22Å; H55-N621 PolarHBondContact ND1-OD1 2.91Å; H55-N621 WeakPolarHBondContact O-CB 3.44Å; H55-V624 HydrophobicContact CB-CB 4.4Å; H55-V624 WeakPolarHBondContact CD2-CG1 3.38Å; H55-V624 WeakPolarHBondContact NE2-CG1 3.44Å
56A97.1Very high94.4Very high41 Ų4129.2 Ų29.234%0.33915%0.152SC..Hα-helixtrans-58.2-47.6170.500000111.1A52 I53 G59 L60 L625A52-A56 WeakPolarHBondContact O-CB 3.34Å; A52-A56 PolarHBondContact O-N 3.33Å; I53-A56 PolarHBondContact O-N 2.94Å; A56-G59 PolarHBondContact O-N 3.15Å; A56-L60 WeakPolarHBondContact O-CB 3.41Å; A56-L60 PolarHBondContact O-N 2.98Å; A56-L625 HydrophobicContact CB-CD1 3.8Å
57F97.6Very high94.3Very high9 Ų929.2 Ų29.24%0.03915%0.151CC..Hα-helixtrans-61.1-49.6176.2164.6-104.9000111.9Y28 M31 L35 I53 Y54 H55 G59 L60 C61 L118 I121 A122Y28-F57 HydrophobicContact CE2-CZ 4.36Å; M31-F57 HydrophobicContact CE-CE1 3.94Å; M31-F57 HydrophobicContact CE-CE2 4.41Å; M31-F57 HydrophobicContact CE-CZ 3.56Å; L35-F57 HydrophobicContact CD2-CD1 3.87Å; L35-F57 HydrophobicContact CD2-CE1 4.36Å; L35-F57 HydrophobicContact CD2-CG 4.42Å; I53-F57 WeakPolarHBondContact O-CB 3.44Å; I53-F57 PolarHBondContact O-N 2.87Å; Y54-F57 PolarHBondContact O-N 2.93Å; H55-F57 VanDerWaalsContact C-N 3.33Å; H55-F57 PolarHBondContact O-N 2.98Å; F57-G59 PolarHBondContact O-N 3.19Å; F57-L60 PolarHBondContact O-N 3.01Å; F57-C61 WeakPolarHBondContact CE2-SG 3.49Å; F57-C61 WeakPolarHBondContact CZ-SG 3.27Å; F57-C61 PolarHBondContact O-N 3.09Å; F57-C61 PolarHBondContact O-SG 2.79Å; F57-L118 HydrophobicContact CD2-CB 3.96Å; F57-L118 HydrophobicContact CD2-CD2 3.88Å; F57-L118 HydrophobicContact CD2-CG 4.45Å; F57-L118 HydrophobicContact CE2-CD2 4.05Å; F57-L118 WeakPolarHBondContact CE2-O 3.44Å; F57-L118 HydrophobicContact CG-CD2 4.16Å; F57-L118 HydrophobicContact CZ-CD2 4.48Å; F57-I121 HydrophobicContact CE2-CB 4.2Å; F57-I121 HydrophobicContact CE2-CG2 3.59Å; F57-I121 HydrophobicContact CZ-CG2 3.66Å; F57-A122 HydrophobicContact CD2-CB 4.06Å; F57-A122 HydrophobicContact CE2-CB 3.94Å
58S96.6Very high94.3Very high0 Ų025.3 Ų25.30%013%0.134CC..Hα-helixtrans-61.2-45.2178.8-172.30000111.1K32 Y54 H55 L60 C61 Y62 N621K32-S58 PolarHBondContact NZ-OG 3.02Å; Y54-S58 WeakPolarHBondContact O-CB 3.37Å; Y54-S58 PolarHBondContact O-N 3.07Å; H55-S58 PolarHBondContact O-N 3.45Å; S58-L60 VanDerWaalsContact C-N 3.33Å; S58-L60 PolarHBondContact O-N 2.91Å; S58-C61 WeakPolarHBondContact O-CB 3.48Å; S58-C61 PolarHBondContact O-N 2.79Å; S58-C61 VanDerWaalsContact O-N 3.14Å; S58-Y62 WeakPolarHBondContact O-CD2 3.38Å; S58-Y62 PolarHBondContact O-N 2.79Å; S58-N621 VanDerWaalsContact CB-OD1 3.24Å; S58-N621 WeakPolarHBondContact CB-OD1 3.43Å; S58-N621 PolarHBondContact OG-OD1 3.25Å
59G96.8Very high93.9Very high6 Ų624 Ų246%0.06213%0.131CC..Hα-helixtrans-57.3-44.7175.400000112.4H55 A56 F57 C61 Y62 F63 A618H55-G59 PolarHBondContact O-N 2.81Å; A56-G59 PolarHBondContact O-N 3.15Å; F57-G59 PolarHBondContact O-N 3.19Å; G59-C61 PolarHBondContact O-N 2.93Å; G59-Y62 PolarHBondContact O-N 3.08Å; G59-F63 WeakPolarHBondContact O-CB 3.34Å; G59-F63 PolarHBondContact O-N 3.16Å; G59-A618 WeakPolarHBondContact O-CB 3.15Å
60L96.3Very high93.5Very high56 Ų5623.6 Ų23.629%0.29313%0.131SC..Hα-helixtrans-63.9-38.7176.4-171.562000112.4A56 F57 S58 Y62 F63 T64 A122A56-L60 WeakPolarHBondContact O-CB 3.41Å; A56-L60 PolarHBondContact O-N 2.98Å; F57-L60 PolarHBondContact O-N 3.01Å; S58-L60 VanDerWaalsContact C-N 3.33Å; S58-L60 PolarHBondContact O-N 2.91Å; L60-Y62 PolarHBondContact O-N 3.36Å; L60-F63 PolarHBondContact O-N 3.06Å; L60-T64 HydrophobicContact CD1-CG2 3.74Å; L60-T64 HydrophobicContact CG-CG2 4.02Å; L60-T64 WeakPolarHBondContact O-CB 3.48Å; L60-T64 WeakPolarHBondContact O-CG2 3.39Å; L60-T64 PolarHBondContact O-N 2.86Å; L60-T64 PolarHBondContact O-OG1 3.48Å; L60-A122 HydrophobicContact CB-CB 3.98Å; L60-A122 HydrophobicContact CD2-CB 3.64Å; L60-A122 HydrophobicContact CG-CB 3.68Å
61C95.8Very high93.2Very high0 Ų026.2 Ų26.20%014%0.144CC..Hα-helixtrans-62.4-27.5175.6-67.10000113.6Y28 F57 S58 G59 P65 T125 G126Y28-C61 HydrophobicContact CE2-CB 4.49Å; F57-C61 WeakPolarHBondContact CE2-SG 3.49Å; F57-C61 WeakPolarHBondContact CZ-SG 3.27Å; F57-C61 PolarHBondContact O-N 3.09Å; F57-C61 PolarHBondContact O-SG 2.79Å; S58-C61 WeakPolarHBondContact O-CB 3.48Å; S58-C61 PolarHBondContact O-N 2.79Å; S58-C61 VanDerWaalsContact O-N 3.14Å; G59-C61 PolarHBondContact O-N 2.93Å; C61-P65 WeakPolarHBondContact O-CD 3.33Å; C61-T125 HydrophobicContact CB-CG2 4.02Å; C61-G126 VanDerWaalsContact O-CA 3.32Å; C61-G126 WeakPolarHBondContact O-CA 3.42Å
62Y94.9Very high92.7Very high35 Ų3526.2 Ų26.214%0.13714%0.144CC..Hα-helixtrans-98.2-14.8179.2-73.3-70.7000113.6S58 G59 L60 P65 L614 V617S58-Y62 WeakPolarHBondContact O-CD2 3.38Å; S58-Y62 PolarHBondContact O-N 2.79Å; G59-Y62 PolarHBondContact O-N 3.08Å; L60-Y62 PolarHBondContact O-N 3.36Å; Y62-P65 VanDerWaalsContact C-CD 3.41Å; Y62-P65 WeakPolarHBondContact O-CD 3.05Å; Y62-L614 HydrophobicContact CD1-CD2 3.98Å; Y62-L614 HydrophobicContact CE1-CD2 4.27Å; Y62-V617 HydrophobicContact CD1-CB 4.09Å; Y62-V617 HydrophobicContact CD1-CG1 4.04Å; Y62-V617 HydrophobicContact CD1-CG2 4.41Å; Y62-V617 HydrophobicContact CD2-CB 4.16Å; Y62-V617 HydrophobicContact CD2-CG1 3.46Å; Y62-V617 VanDerWaalsContact CD2-CG1 3.46Å; Y62-V617 HydrophobicContact CE1-CG1 4.2Å; Y62-V617 HydrophobicContact CE2-CG1 3.64Å; Y62-V617 HydrophobicContact CG-CB 3.86Å; Y62-V617 HydrophobicContact CG-CG1 3.68Å
63F94.6Very high92.1Very high96 Ų9627.8 Ų27.842%0.42115%0.152SC..Hα-helixtrans-84-44.4172.4-179.9-96.7000113G59 L60 P65 I66 L615 A618G59-F63 WeakPolarHBondContact O-CB 3.34Å; G59-F63 PolarHBondContact O-N 3.16Å; L60-F63 PolarHBondContact O-N 3.06Å; F63-P65 VanDerWaalsContact C-N 3.34Å; F63-P65 WeakPolarHBondContact O-CD 3.27Å; F63-I66 PolarHBondContact O-N 2.92Å; F63-L615 HydrophobicContact CD2-CD1 3.71Å; F63-L615 HydrophobicContact CE2-CD1 4.14Å; F63-A618 HydrophobicContact CB-CB 4.1Å
64T93.8Very high91.4Very high3 Ų328.4 Ų28.42%0.01816%0.16CC..THydrogen-bonded Turntrans-62.8-18.1-17850.90000116.9L60 I66 L67 G68 A122 L123 G126L60-T64 HydrophobicContact CD1-CG2 3.74Å; L60-T64 HydrophobicContact CG-CG2 4.02Å; L60-T64 WeakPolarHBondContact O-CB 3.48Å; L60-T64 WeakPolarHBondContact O-CG2 3.39Å; L60-T64 PolarHBondContact O-N 2.86Å; L60-T64 PolarHBondContact O-OG1 3.48Å; T64-I66 PolarHBondContact O-N 2.82Å; T64-L67 HydrophobicContact CG2-CD1 4.36Å; T64-L67 WeakPolarHBondContact O-CB 3.36Å; T64-L67 PolarHBondContact O-N 2.98Å; T64-G68 PolarHBondContact O-N 3.36Å; T64-A122 PolarHBondContact OG1-O 2.99Å; T64-L123 HydrophobicContact CG2-CD2 3.76Å; T64-G126 WeakPolarHBondContact OG1-CA 3.2Å
65P91.3Very high90.7Very high2 Ų237.6 Ų37.61%0.01320%0.195CC..Hα-helixtrans-52-32.8167-3037000114.5C61 Y62 F63 L67 G68 A69 G126 P130 L614C61-P65 WeakPolarHBondContact O-CD 3.33Å; Y62-P65 VanDerWaalsContact C-CD 3.41Å; Y62-P65 WeakPolarHBondContact O-CD 3.05Å; F63-P65 VanDerWaalsContact C-N 3.34Å; F63-P65 WeakPolarHBondContact O-CD 3.27Å; P65-L67 VanDerWaalsContact C-N 3.29Å; P65-L67 PolarHBondContact O-N 2.99Å; P65-G68 PolarHBondContact O-N 3.12Å; P65-A69 WeakPolarHBondContact O-CB 3.48Å; P65-A69 PolarHBondContact O-N 3.3Å; P65-G126 WeakPolarHBondContact CA-O 3.38Å; P65-G126 WeakPolarHBondContact CG-O 3.29Å; P65-P130 HydrophobicContact CB-CG 4.31Å; P65-L614 HydrophobicContact CB-CD1 3.79Å; P65-L614 HydrophobicContact CG-CD1 3.98Å
66I88.2Confident90.1Very high40 Ų4039.4 Ų39.421%0.20520%0.204CC..Hα-helixtrans-60.9-43.2175.8-64169.6000110.3F63 T64 V70 L220 A611 L615F63-I66 PolarHBondContact O-N 2.92Å; T64-I66 PolarHBondContact O-N 2.82Å; I66-V70 VanDerWaalsContact O-CG2 3.32Å; I66-V70 WeakPolarHBondContact O-CG2 3.4Å; I66-V70 PolarHBondContact O-N 2.66Å; I66-V70 VanDerWaalsContact O-N 3.1Å; I66-L220 HydrophobicContact CG2-CD2 4Å; I66-A611 HydrophobicContact CG1-CB 4.29Å; I66-L615 HydrophobicContact CD1-CD1 4.1Å; I66-L615 HydrophobicContact CD1-CD2 4.47Å
67L88.5Confident89.6Confident85 Ų8537.8 Ų37.845%0.44519%0.191SC..Hα-helixtrans-66.7-44177.7-57.2176.4000111T64 P65 A69 V70 I71T64-L67 HydrophobicContact CG2-CD1 4.36Å; T64-L67 WeakPolarHBondContact O-CB 3.36Å; T64-L67 PolarHBondContact O-N 2.98Å; P65-L67 VanDerWaalsContact C-N 3.29Å; P65-L67 PolarHBondContact O-N 2.99Å; L67-A69 PolarHBondContact O-N 2.73Å; L67-V70 PolarHBondContact O-N 3.01Å; L67-I71 WeakPolarHBondContact O-CB 3.37Å; L67-I71 WeakPolarHBondContact O-CD1 3.35Å; L67-I71 WeakPolarHBondContact O-CG1 3.43Å; L67-I71 PolarHBondContact O-N 3.14Å
68G87.7Confident89.1Confident1 Ų138.9 Ų38.91%0.0120%0.196CC..Hα-helixtrans-57.7-46.6176.900000112.9T64 P65 I71 A72 G127T64-G68 PolarHBondContact O-N 3.36Å; P65-G68 PolarHBondContact O-N 3.12Å; G68-I71 PolarHBondContact O-N 3.35Å; G68-A72 WeakPolarHBondContact O-CB 3.2Å; G68-A72 PolarHBondContact O-N 3.27Å; G68-G127 WeakPolarHBondContact CA-O 3.41Å
69A84.4Confident88.8Confident25 Ų2540.3 Ų40.321%0.20720%0.202CC..Hα-helixtrans-62.3-47.6177.100000111.8P65 L67 I71 A72 D73 P130P65-A69 WeakPolarHBondContact O-CB 3.48Å; P65-A69 PolarHBondContact O-N 3.3Å; L67-A69 PolarHBondContact O-N 2.73Å; A69-I71 VanDerWaalsContact C-N 3.34Å; A69-I71 PolarHBondContact O-N 3.14Å; A69-A72 PolarHBondContact O-N 3.13Å; A69-D73 WeakPolarHBondContact O-CB 3.29Å; A69-D73 PolarHBondContact O-N 3.47Å; A69-P130 HydrophobicContact CB-CB 4.29Å; A69-P130 HydrophobicContact CB-CG 4.21Å
70V84.7Confident88.6Confident47 Ų4745.5 Ų45.529%0.28522%0.223SC..Hα-helixtrans-60.1-43.4178.41710000111.6I66 L67 S74 L220I66-V70 VanDerWaalsContact O-CG2 3.32Å; I66-V70 WeakPolarHBondContact O-CG2 3.4Å; I66-V70 PolarHBondContact O-N 2.66Å; I66-V70 VanDerWaalsContact O-N 3.1Å; L67-V70 PolarHBondContact O-N 3.01Å; V70-S74 WeakPolarHBondContact O-CB 3.19Å; V70-S74 PolarHBondContact O-N 3.24Å; V70-S74 PolarHBondContact O-OG 2.56Å; V70-L220 HydrophobicContact CG2-CD2 4.06Å
71I87.3Confident88.5Confident54 Ų5442.9 Ų42.928%0.27721%0.209SC..Hα-helixtrans-64.3-44.1178.3-68166.1000111L67 G68 A69 W75 L76 T81L67-I71 WeakPolarHBondContact O-CB 3.37Å; L67-I71 WeakPolarHBondContact O-CD1 3.35Å; L67-I71 WeakPolarHBondContact O-CG1 3.43Å; L67-I71 PolarHBondContact O-N 3.14Å; G68-I71 PolarHBondContact O-N 3.35Å; A69-I71 VanDerWaalsContact C-N 3.34Å; A69-I71 PolarHBondContact O-N 3.14Å; I71-W75 PolarHBondContact O-N 3.47Å; I71-W75 VanDerWaalsContact O-N 3.15Å; I71-L76 HydrophobicContact CG2-CB 4.25Å; I71-L76 HydrophobicContact CG2-CD1 3.42Å; I71-L76 VanDerWaalsContact CG2-CD1 3.42Å; I71-L76 HydrophobicContact CG2-CG 3.87Å; I71-L76 PolarHBondContact O-N 2.99Å; I71-T81 HydrophobicContact CG2-CG2 4.19Å
72A85.1Confident88.4Confident1 Ų142.9 Ų42.91%0.00821%0.209CC..Iπ-helixtrans-64.9-47.8178.400000112.7G68 A69 G77 K78 T81G68-A72 WeakPolarHBondContact O-CB 3.2Å; G68-A72 PolarHBondContact O-N 3.27Å; A69-A72 PolarHBondContact O-N 3.13Å; A72-G77 WeakPolarHBondContact O-CA 3.44Å; A72-G77 PolarHBondContact O-N 3.1Å; A72-K78 HydrophobicContact CB-CG 4.43Å; A72-T81 WeakPolarHBondContact CA-OG1 3.39Å; A72-T81 HydrophobicContact CB-CG2 4.11Å; A72-T81 PolarHBondContact N-OG1 3.41Å
73D82.8Confident88.4Confident37 Ų3742.5 Ų42.520%0.19821%0.209CC..Iπ-helixtrans-80.4-29.1-171.8-66.5-17.4000112.5A69 P215 Q216 G217A69-D73 WeakPolarHBondContact O-CB 3.29Å; A69-D73 PolarHBondContact O-N 3.47Å; D73-P215 VanDerWaalsContact O-CB 3.26Å; D73-P215 WeakPolarHBondContact O-CB 3.42Å; D73-Q216 PolarHBondContact O-N 3.16Å; D73-G217 PolarHBondContact O-N 3.5Å
74S82.3Confident88.5Confident55 Ų5544 Ų4439%0.38521%0.213SC..Iπ-helixtrans-98.1-32.6-174.2-45.10000114.3V70 N218V70-S74 WeakPolarHBondContact O-CB 3.19Å; V70-S74 PolarHBondContact O-N 3.24Å; V70-S74 PolarHBondContact O-OG 2.56Å; S74-N218 WeakPolarHBondContact OG-CB 3.45Å
75W81.9Confident88.6Confident197 Ų19745.3 Ų45.375%0.74622%0.22SC*.Iπ-helixtrans-128.6-60.3-166-174.325.2000114.5I71I71-W75 PolarHBondContact O-N 3.47Å; I71-W75 VanDerWaalsContact O-N 3.15Å
76L84.7Confident88.9Confident38 Ų3845.2 Ų45.220%0.19922%0.22CC..Iπ-helixtrans-96.4-23.9-164.7-64.3-179.9000113.7I71 K80 Y84I71-L76 HydrophobicContact CG2-CB 4.25Å; I71-L76 HydrophobicContact CG2-CD1 3.42Å; I71-L76 VanDerWaalsContact CG2-CD1 3.42Å; I71-L76 HydrophobicContact CG2-CG 3.87Å; I71-L76 PolarHBondContact O-N 2.99Å; L76-K80 HydrophobicContact CB-CB 4.06Å; L76-K80 WeakPolarHBondContact O-CB 3.39Å; L76-K80 WeakPolarHBondContact O-CD 3.33Å; L76-Y84 HydrophobicContact CD1-CD2 3.99Å
77G86.1Confident89.4Confident7 Ų746.6 Ų46.67%0.07223%0.227CC..  trans76.7151.3-16600000111.9A72 F79 K80 T81A72-G77 WeakPolarHBondContact O-CA 3.44Å; A72-G77 PolarHBondContact O-N 3.1Å; G77-F79 VanDerWaalsContact C-N 3.33Å; G77-F79 PolarHBondContact O-N 2.69Å; G77-K80 PolarHBondContact O-N 2.69Å; G77-T81 PolarHBondContact O-N 3.43Å; G77-T81 VanDerWaalsContact O-N 3.08Å; G77-T81 PolarHBondContact O-OG1 3Å; G77-T81 VanDerWaalsContact O-OG1 3.11Å
78K86.9Confident89.8Confident32 Ų3244.6 Ų44.614%0.13922%0.218CC..Hα-helixtrans-50.2-47.4-174.3-61.4177.7-170.7169.70113.3A72 K80 T81 I82 A134 F135 D138A72-K78 HydrophobicContact CB-CG 4.43Å; K78-K80 PolarHBondContact O-N 2.83Å; K78-T81 PolarHBondContact O-N 2.78Å; K78-I82 WeakPolarHBondContact O-CD1 2.94Å; K78-I82 VanDerWaalsContact O-CG1 3.22Å; K78-I82 WeakPolarHBondContact O-CG1 3.32Å; K78-I82 PolarHBondContact O-N 3Å; K78-A134 HydrophobicContact CD-CB 4.24Å; K78-F135 HydrophobicContact CB-CB 4.42Å; K78-F135 HydrophobicContact CB-CD2 4.12Å; K78-D138 IonicContact NZ-OD1 3.5Å; K78-D138 IonicContact NZ-OD2 3.67Å; K78-D138 PolarHBondContact NZ-OD2 3.29Å
79F91.8Very high90.3Very high30 Ų3044.5 Ų44.513%0.13222%0.217CC..Hα-helixtrans-60.3-48.2-176.8176.6-105.3000113.2G77 I82 I83 F135 F203 Y210 K212G77-F79 VanDerWaalsContact C-N 3.33Å; G77-F79 PolarHBondContact O-N 2.69Å; F79-I82 PolarHBondContact O-N 3.08Å; F79-I83 HydrophobicContact CD1-CD1 4.33Å; F79-I83 HydrophobicContact CE1-CD1 3.6Å; F79-I83 HydrophobicContact CE2-CD1 3.84Å; F79-I83 HydrophobicContact CZ-CD1 3.32Å; F79-I83 HydrophobicContact CZ-CG1 4.44Å; F79-I83 PolarHBondContact O-N 3.16Å; F79-F135 HydrophobicContact CB-CE2 3.79Å; F79-F135 HydrophobicContact CB-CZ 4.05Å; F79-F135 HydrophobicContact CD2-CE1 4.25Å; F79-F135 HydrophobicContact CD2-CE2 4.29Å; F79-F135 AromaticContact CD2-CZ 3.66Å; F79-F135 HydrophobicContact CD2-CZ 3.66Å; F79-F135 HydrophobicContact CG-CE2 4.48Å; F79-F135 HydrophobicContact CG-CZ 4.26Å; F79-F203 AromaticContact CD2-CE1 3.7Å; F79-F203 HydrophobicContact CD2-CE1 3.7Å; F79-F203 AromaticContact CD2-CZ 3.97Å; F79-F203 HydrophobicContact CD2-CZ 3.97Å; F79-F203 HydrophobicContact CE2-CD1 4.37Å; F79-F203 AromaticContact CE2-CE1 3.69Å; F79-F203 HydrophobicContact CE2-CE1 3.69Å; F79-F203 HydrophobicContact CE2-CZ 4.27Å; F79-Y210 AromaticContact CD2-CD2 3.85Å; F79-Y210 HydrophobicContact CD2-CD2 3.85Å; F79-Y210 HydrophobicContact CD2-CE2 4.35Å; F79-Y210 AromaticContact CE2-CD2 3.53Å; F79-Y210 HydrophobicContact CE2-CD2 3.53Å; F79-Y210 AromaticContact CE2-CE2 3.81Å; F79-Y210 HydrophobicContact CE2-CE2 3.81Å; F79-K212 HydrophobicContact CB-CG 4.34Å; F79-K212 HydrophobicContact CD1-CD 4.03Å; F79-K212 HydrophobicContact CE1-CD 4.38Å; F79-K212 HydrophobicContact CG-CD 4.27Å; F79-K212 HydrophobicContact CG-CG 4.27Å
80K92.7Very high91Very high115 Ų11544.3 Ų44.350%0.521%0.213SC..Hα-helixtrans-70.7-39-179.5-68.3-174.9-176174.70111.1L76 G77 K78 I82 I83 Y84L76-K80 HydrophobicContact CB-CB 4.06Å; L76-K80 WeakPolarHBondContact O-CB 3.39Å; L76-K80 WeakPolarHBondContact O-CD 3.33Å; G77-K80 PolarHBondContact O-N 2.69Å; K78-K80 PolarHBondContact O-N 2.83Å; K80-I82 VanDerWaalsContact C-N 3.33Å; K80-I82 PolarHBondContact O-N 3.06Å; K80-I83 PolarHBondContact O-N 3.39Å; K80-Y84 HydrophobicContact CB-CD2 4.17Å; K80-Y84 HydrophobicContact CB-CE2 4Å; K80-Y84 WeakPolarHBondContact O-CD2 3.15Å; K80-Y84 PolarHBondContact O-N 2.95Å
81T92.4Very high91.6Very high0 Ų046 Ų460%022%0.22CC..Hα-helixtrans-57.7-45.9174.6-58.90000111.6I71 A72 G77 K78 I83 Y84 L85I71-T81 HydrophobicContact CG2-CG2 4.19Å; A72-T81 WeakPolarHBondContact CA-OG1 3.39Å; A72-T81 HydrophobicContact CB-CG2 4.11Å; A72-T81 PolarHBondContact N-OG1 3.41Å; G77-T81 PolarHBondContact O-N 3.43Å; G77-T81 VanDerWaalsContact O-N 3.08Å; G77-T81 PolarHBondContact O-OG1 3Å; G77-T81 VanDerWaalsContact O-OG1 3.11Å; K78-T81 PolarHBondContact O-N 2.78Å; T81-I83 PolarHBondContact O-N 3.03Å; T81-Y84 PolarHBondContact O-N 2.93Å; T81-L85 HydrophobicContact CG2-CD1 3.51Å; T81-L85 HydrophobicContact CG2-CG 4.27Å; T81-L85 WeakPolarHBondContact O-CB 3.27Å; T81-L85 WeakPolarHBondContact O-CG 3.08Å; T81-L85 PolarHBondContact O-N 2.69Å
82I93.9Very high92.2Very high0 Ų043.4 Ų43.40%021%0.207CC..Hα-helixtrans-57.9-47.9176.8-67.4161.9000110.5K78 F79 K80 S86 C131 V132 F135 F203K78-I82 WeakPolarHBondContact O-CD1 2.94Å; K78-I82 VanDerWaalsContact O-CG1 3.22Å; K78-I82 WeakPolarHBondContact O-CG1 3.32Å; K78-I82 PolarHBondContact O-N 3Å; F79-I82 PolarHBondContact O-N 3.08Å; K80-I82 VanDerWaalsContact C-N 3.33Å; K80-I82 PolarHBondContact O-N 3.06Å; I82-S86 WeakPolarHBondContact O-CB 3.42Å; I82-S86 PolarHBondContact O-N 3.22Å; I82-S86 PolarHBondContact O-OG 3.1Å; I82-C131 HydrophobicContact CD1-CB 3.91Å; I82-C131 HydrophobicContact CG1-CB 3.55Å; I82-V132 HydrophobicContact CD1-CG2 4.03Å; I82-V132 HydrophobicContact CG1-CG2 3.98Å; I82-V132 HydrophobicContact CG2-CG2 4.21Å; I82-F135 HydrophobicContact CD1-CB 3.88Å; I82-F135 HydrophobicContact CD1-CD1 4.22Å; I82-F135 HydrophobicContact CD1-CG 4.05Å; I82-F203 HydrophobicContact CB-CE1 3.99Å; I82-F203 HydrophobicContact CB-CZ 4.11Å; I82-F203 HydrophobicContact CD1-CE2 4.45Å; I82-F203 HydrophobicContact CD1-CZ 3.83Å; I82-F203 HydrophobicContact CG2-CD1 3.94Å; I82-F203 HydrophobicContact CG2-CE1 3.54Å; I82-F203 HydrophobicContact CG2-CE2 4.22Å; I82-F203 HydrophobicContact CG2-CG 4.44Å; I82-F203 HydrophobicContact CG2-CZ 3.7Å
83I96Very high92.8Very high27 Ų2743.4 Ų43.414%0.13821%0.206CC..Hα-helixtrans-63.2-53.8-179.5-71.2177.1000111.7F79 K80 T81 L85 S86 I87 F203 I204F79-I83 HydrophobicContact CD1-CD1 4.33Å; F79-I83 HydrophobicContact CE1-CD1 3.6Å; F79-I83 HydrophobicContact CE2-CD1 3.84Å; F79-I83 HydrophobicContact CZ-CD1 3.32Å; F79-I83 HydrophobicContact CZ-CG1 4.44Å; F79-I83 PolarHBondContact O-N 3.16Å; K80-I83 PolarHBondContact O-N 3.39Å; T81-I83 PolarHBondContact O-N 3.03Å; I83-L85 PolarHBondContact O-N 3.26Å; I83-S86 PolarHBondContact O-N 2.56Å; I83-I87 HydrophobicContact CG2-CD1 4Å; I83-I87 WeakPolarHBondContact O-CG1 3.49Å; I83-I87 PolarHBondContact O-N 3.17Å; I83-F203 HydrophobicContact CG1-CD1 4.05Å; I83-F203 HydrophobicContact CG1-CE1 4.09Å; I83-I204 HydrophobicContact CD1-CG1 4.09Å; I83-I204 HydrophobicContact CG1-CG1 4.28Å
84Y96.5Very high93.5Very high129 Ų12945 Ų4551%0.50622%0.217SC..Hα-helixtrans-64.4-42.4-174.5-70.3-58.6000112.3L76 K80 T81 I87 V88L76-Y84 HydrophobicContact CD1-CD2 3.99Å; K80-Y84 HydrophobicContact CB-CD2 4.17Å; K80-Y84 HydrophobicContact CB-CE2 4Å; K80-Y84 WeakPolarHBondContact O-CD2 3.15Å; K80-Y84 PolarHBondContact O-N 2.95Å; T81-Y84 PolarHBondContact O-N 2.93Å; Y84-I87 PolarHBondContact O-N 2.87Å; Y84-V88 WeakPolarHBondContact O-CG2 3.5Å; Y84-V88 PolarHBondContact O-N 3.46Å; Y84-V88 VanDerWaalsContact O-N 3.17Å
85L96.2Very high94.2Very high29 Ų2943.6 Ų43.615%0.15221%0.206CC..Hα-helixtrans-73.6-29178.3-63.2177.5000111.9T81 I83 V88 Y89 G124 I128T81-L85 HydrophobicContact CG2-CD1 3.51Å; T81-L85 HydrophobicContact CG2-CG 4.27Å; T81-L85 WeakPolarHBondContact O-CB 3.27Å; T81-L85 WeakPolarHBondContact O-CG 3.08Å; T81-L85 PolarHBondContact O-N 2.69Å; I83-L85 PolarHBondContact O-N 3.26Å; L85-V88 PolarHBondContact O-N 2.84Å; L85-Y89 WeakPolarHBondContact O-CB 3.25Å; L85-Y89 PolarHBondContact O-N 2.95Å; L85-G124 WeakPolarHBondContact O-CA 3.45Å; L85-I128 HydrophobicContact CB-CG2 3.69Å
86S97.2Very high94.9Very high1 Ų134.2 Ų34.21%0.00717%0.171CC..Hα-helixtrans-67.9-33.4170-62.90000112.7I82 I83 Y89 V90I82-S86 WeakPolarHBondContact O-CB 3.42Å; I82-S86 PolarHBondContact O-N 3.22Å; I82-S86 PolarHBondContact O-OG 3.1Å; I83-S86 PolarHBondContact O-N 2.56Å; S86-Y89 WeakPolarHBondContact O-CB 3.5Å; S86-Y89 PolarHBondContact O-N 3.24Å; S86-V90 WeakPolarHBondContact O-CG2 3.37Å; S86-V90 PolarHBondContact O-N 3.43Å
87I98.1Very high95.4Very high69 Ų6933.3 Ų33.335%0.35417%0.168SC..Hα-helixtrans-63.9-47.1172.4-69.4164.8000110.2I83 Y84 Y89 V90 I91 L200I83-I87 HydrophobicContact CG2-CD1 4Å; I83-I87 WeakPolarHBondContact O-CG1 3.49Å; I83-I87 PolarHBondContact O-N 3.17Å; Y84-I87 PolarHBondContact O-N 2.87Å; I87-Y89 PolarHBondContact O-N 2.96Å; I87-V90 PolarHBondContact O-N 2.72Å; I87-I91 HydrophobicContact CG2-CD1 3.98Å; I87-I91 WeakPolarHBondContact O-CG1 3.44Å; I87-I91 PolarHBondContact O-N 2.8Å; I87-L200 HydrophobicContact CG1-CD2 3.72Å
88V98.1Very high95.8Very high42 Ų4235.8 Ų35.826%0.25518%0.181SC..Hα-helixtrans-57.1-41173.9174.50000110.5Y84 L85 I91 G92 L120 L123Y84-V88 WeakPolarHBondContact O-CG2 3.5Å; Y84-V88 PolarHBondContact O-N 3.46Å; Y84-V88 VanDerWaalsContact O-N 3.17Å; L85-V88 PolarHBondContact O-N 2.84Å; V88-I91 PolarHBondContact O-N 3.08Å; V88-G92 PolarHBondContact O-N 3.21Å; V88-L120 HydrophobicContact CG1-CB 4.22Å; V88-L120 HydrophobicContact CG1-CD2 3.99Å; V88-L123 HydrophobicContact CG1-CB 4.49Å
89Y97.9Very high96.1Very high0 Ų034.3 Ų34.30%018%0.175CC..Hα-helixtrans-62.2-47.7177.8-158.3175.7000112.3E24 Y28 L85 S86 I87 I91 G92 H93 I121 T125 I128 M196E24-Y89 HydrophobicContact CG-CD1 4.47Å; E24-Y89 HydrophobicContact CG-CE1 3.81Å; Y28-Y89 WeakPolarHBondContact CB-OH 3.44Å; L85-Y89 WeakPolarHBondContact O-CB 3.25Å; L85-Y89 PolarHBondContact O-N 2.95Å; S86-Y89 WeakPolarHBondContact O-CB 3.5Å; S86-Y89 PolarHBondContact O-N 3.24Å; I87-Y89 PolarHBondContact O-N 2.96Å; Y89-I91 PolarHBondContact O-N 2.85Å; Y89-G92 PolarHBondContact O-N 2.79Å; Y89-H93 AromaticContact CD2-CD2 3.46Å; Y89-H93 VanDerWaalsContact CD2-CD2 3.46Å; Y89-H93 WeakPolarHBondContact CD2-CD2 3.5Å; Y89-H93 AromaticContact CD2-NE2 3.76Å; Y89-H93 AromaticContact CE2-CD2 3.25Å; Y89-H93 WeakPolarHBondContact CE2-CD2 3.33Å; Y89-H93 AromaticContact CE2-NE2 3.01Å; Y89-H93 WeakPolarHBondContact CE2-NE2 3.49Å; Y89-H93 AromaticContact CZ-NE2 3.57Å; Y89-H93 PolarHBondContact O-N 3.34Å; Y89-I121 HydrophobicContact CD2-CB 4.21Å; Y89-I121 HydrophobicContact CD2-CG1 4.12Å; Y89-I121 HydrophobicContact CD2-CG2 4.23Å; Y89-I121 HydrophobicContact CE2-CB 4.03Å; Y89-I121 HydrophobicContact CE2-CG1 4.08Å; Y89-I121 HydrophobicContact CE2-CG2 3.55Å; Y89-T125 VanDerWaalsContact CE1-CB 3.44Å; Y89-I128 HydrophobicContact CD1-CD1 3.98Å; Y89-I128 HydrophobicContact CE1-CD1 4.25Å; Y89-M196 HydrophobicContact CD1-CE 3.75Å; Y89-M196 HydrophobicContact CD1-CG 4.31Å; Y89-M196 HydrophobicContact CD1-SD 3.66Å; Y89-M196 HydrophobicContact CE1-CE 4.39Å; Y89-M196 HydrophobicContact CE1-SD 3.81Å; Y89-M196 HydrophobicContact CG-CE 4.3Å; Y89-M196 HydrophobicContact CG-CG 4.25Å; Y89-M196 HydrophobicContact CG-SD 4.19Å
90V98.4Very high96.2Very high20 Ų2033 Ų3312%0.12117%0.169CC..Hα-helixtrans-58.2-47.5175.5165.80000111S86 I87 G92 H93 V94 M196 V197 L200S86-V90 WeakPolarHBondContact O-CG2 3.37Å; S86-V90 PolarHBondContact O-N 3.43Å; I87-V90 PolarHBondContact O-N 2.72Å; V90-G92 VanDerWaalsContact C-N 3.3Å; V90-G92 PolarHBondContact O-N 2.86Å; V90-H93 PolarHBondContact O-N 2.96Å; V90-V94 HydrophobicContact CG1-CG2 4.35Å; V90-V94 WeakPolarHBondContact O-CG2 3.5Å; V90-V94 PolarHBondContact O-N 2.89Å; V90-M196 HydrophobicContact CG2-CB 4.31Å; V90-M196 HydrophobicContact CG2-CG 3.78Å; V90-V197 HydrophobicContact CG1-CG2 3.55Å; V90-V197 HydrophobicContact CG2-CG2 4.15Å; V90-L200 HydrophobicContact CG2-CB 4.44Å; V90-L200 HydrophobicContact CG2-CD2 4.09Å
91I98.4Very high96.2Very high83 Ų8329.5 Ų29.543%0.42616%0.156SC..Hα-helixtrans-58.8-45.6178.2-66.1167.4000110.1I87 V88 Y89 H93 V94 V95 L120I87-I91 HydrophobicContact CG2-CD1 3.98Å; I87-I91 WeakPolarHBondContact O-CG1 3.44Å; I87-I91 PolarHBondContact O-N 2.8Å; V88-I91 PolarHBondContact O-N 3.08Å; Y89-I91 PolarHBondContact O-N 2.85Å; I91-H93 VanDerWaalsContact C-N 3.34Å; I91-H93 PolarHBondContact O-N 3.06Å; I91-V94 PolarHBondContact O-N 3.14Å; I91-V95 HydrophobicContact CG2-CG2 4.15Å; I91-V95 WeakPolarHBondContact O-CB 3.29Å; I91-V95 VanDerWaalsContact O-CG2 3.25Å; I91-V95 WeakPolarHBondContact O-CG2 3.35Å; I91-V95 PolarHBondContact O-N 2.68Å; I91-L120 HydrophobicContact CG2-CD1 3.84Å
92G98.3Very high96Very high0 Ų032.1 Ų32.10%017%0.173CC..Hα-helixtrans-57.7-44.1177.300000113.2V88 Y89 V90 K96 G117V88-G92 PolarHBondContact O-N 3.21Å; Y89-G92 PolarHBondContact O-N 2.79Å; V90-G92 VanDerWaalsContact C-N 3.3Å; V90-G92 PolarHBondContact O-N 2.86Å; G92-K96 WeakPolarHBondContact O-CB 3.38Å; G92-K96 PolarHBondContact O-N 2.95Å; G92-G117 WeakPolarHBondContact O-CA 3.4Å
93H98.1Very high95.8Very high1 Ų137.5 Ų37.51%0.00521%0.206CC..Hα-helixtrans-65.4-43.1176.1-90.3-65.6000113.3S27 Y89 V90 I91 K96 S97 A193S27-H93 PolarHBondContact OG-CE1 2.94Å; S27-H93 PolarHBondContact OG-NE2 3.06Å; Y89-H93 AromaticContact CD2-CD2 3.46Å; Y89-H93 VanDerWaalsContact CD2-CD2 3.46Å; Y89-H93 WeakPolarHBondContact CD2-CD2 3.5Å; Y89-H93 AromaticContact CD2-NE2 3.76Å; Y89-H93 AromaticContact CE2-CD2 3.25Å; Y89-H93 WeakPolarHBondContact CE2-CD2 3.33Å; Y89-H93 AromaticContact CE2-NE2 3.01Å; Y89-H93 WeakPolarHBondContact CE2-NE2 3.49Å; Y89-H93 AromaticContact CZ-NE2 3.57Å; Y89-H93 PolarHBondContact O-N 3.34Å; V90-H93 PolarHBondContact O-N 2.96Å; I91-H93 VanDerWaalsContact C-N 3.34Å; I91-H93 PolarHBondContact O-N 3.06Å; H93-K96 PolarHBondContact O-N 2.91Å; H93-S97 WeakPolarHBondContact O-CB 3.24Å; H93-S97 PolarHBondContact O-N 2.9Å; H93-A193 HydrophobicContact CB-CB 3.7Å
94V97.8Very high95.5Very high69 Ų6938.2 Ų38.242%0.41821%0.211SC..Hα-helixtrans-62.3-48.4176.7171.20000110.4V90 I91 K96 S97 V98V90-V94 HydrophobicContact CG1-CG2 4.35Å; V90-V94 WeakPolarHBondContact O-CG2 3.5Å; V90-V94 PolarHBondContact O-N 2.89Å; I91-V94 PolarHBondContact O-N 3.14Å; V94-K96 VanDerWaalsContact C-N 3.31Å; V94-K96 PolarHBondContact O-N 3.32Å; V94-S97 PolarHBondContact O-N 3.04Å; V94-V98 HydrophobicContact CG1-CG2 4.38Å; V94-V98 WeakPolarHBondContact O-CB 3.36Å; V94-V98 VanDerWaalsContact O-CG2 3.31Å; V94-V98 WeakPolarHBondContact O-CG2 3.35Å; V94-V98 PolarHBondContact O-N 3.06Å
95V97.4Very high95.1Very high27 Ų2734.7 Ų34.716%0.16421%0.214CC..Hα-helixtrans-57.4-45.2176.2168.60000110.9I91 V98 G99 L113 F116I91-V95 HydrophobicContact CG2-CG2 4.15Å; I91-V95 WeakPolarHBondContact O-CB 3.29Å; I91-V95 VanDerWaalsContact O-CG2 3.25Å; I91-V95 WeakPolarHBondContact O-CG2 3.35Å; I91-V95 PolarHBondContact O-N 2.68Å; V95-V98 PolarHBondContact O-N 3.27Å; V95-G99 PolarHBondContact O-N 3.47Å; V95-L113 HydrophobicContact CG1-CB 4.32Å; V95-L113 HydrophobicContact CG1-CD2 4.1Å; V95-L113 WeakPolarHBondContact CG1-O 3.25Å; V95-F116 HydrophobicContact CG1-CD1 4.02Å
96K95.4Very high94.8Very high0 Ų037.3 Ų37.30%023%0.228CC..Hα-helixtrans-64.8-40.2179.7-177.165.2-176.3810112.8Y38 G92 H93 V94 A100 S114 L118 I121 F189Y38-K96 VanDerWaalsContact CD1-NZ 3.33Å; Y38-K96 PolarHBondContact OH-NZ 2.88Å; G92-K96 WeakPolarHBondContact O-CB 3.38Å; G92-K96 PolarHBondContact O-N 2.95Å; H93-K96 PolarHBondContact O-N 2.91Å; V94-K96 VanDerWaalsContact C-N 3.31Å; V94-K96 PolarHBondContact O-N 3.32Å; K96-A100 PolarHBondContact O-N 3.45Å; K96-S114 VanDerWaalsContact CE-OG 3.24Å; K96-S114 WeakPolarHBondContact CE-OG 3.41Å; K96-L118 HydrophobicContact CD-CG 4.43Å; K96-I121 HydrophobicContact CB-CD1 4.16Å; K96-F189 HydrophobicContact CG-CD1 4.4Å; K96-F189 HydrophobicContact CG-CD2 4.48Å; K96-F189 HydrophobicContact CG-CG 4.28Å
97S95.8Very high94.5Very high19 Ų1941.5 Ų41.513%0.13325%0.254CS..Hα-helixtrans-67.8-44.3177.4176.20000111.4H93 V94 G99 A100 A186 G190H93-S97 WeakPolarHBondContact O-CB 3.24Å; H93-S97 PolarHBondContact O-N 2.9Å; V94-S97 PolarHBondContact O-N 3.04Å; S97-G99 VanDerWaalsContact C-N 3.32Å; S97-G99 PolarHBondContact O-N 3.12Å; S97-A100 PolarHBondContact O-N 2.91Å; S97-A100 VanDerWaalsContact O-N 3.1Å; S97-A186 PolarHBondContact OG-O 3.1Å; S97-A186 VanDerWaalsContact OG-O 3.06Å; S97-G190 WeakPolarHBondContact OG-CA 3.42Å; S97-G190 PolarHBondContact OG-N 3.12Å
98V94.9Very high94.2Very high59 Ų5943.6 Ų43.636%0.35827%0.266SS..Hα-helixtrans-61.7-41.2174.8170.90000111.3V94 V95 A100 I101 V104V94-V98 HydrophobicContact CG1-CG2 4.38Å; V94-V98 WeakPolarHBondContact O-CB 3.36Å; V94-V98 VanDerWaalsContact O-CG2 3.31Å; V94-V98 WeakPolarHBondContact O-CG2 3.35Å; V94-V98 PolarHBondContact O-N 3.06Å; V95-V98 PolarHBondContact O-N 3.27Å; V98-A100 PolarHBondContact O-N 3.1Å; V98-A100 VanDerWaalsContact O-N 3.17Å; V98-I101 WeakPolarHBondContact O-CB 3.3Å; V98-I101 PolarHBondContact O-N 2.85Å; V98-I101 VanDerWaalsContact O-N 3.09Å; V98-V104 HydrophobicContact CG1-CG1 4.14Å; V98-V104 HydrophobicContact CG1-CG2 4.29Å
99G93.5Very high94Very high0 Ų044.5 Ų44.50%027%0.271CS..THydrogen-bonded Turntrans-63.7-16.5176.300000114.4V95 S97 H110V95-G99 PolarHBondContact O-N 3.47Å; S97-G99 VanDerWaalsContact C-N 3.32Å; S97-G99 PolarHBondContact O-N 3.12Å; G99-H110 PolarHBondContact O-ND1 3Å
100A93.1Very high93.8Very high2 Ų245.3 Ų45.32%0.01728%0.275CS..THydrogen-bonded Turntrans-96.28176.200000113.6Y38 K96 S97 V98 F189Y38-A100 HydrophobicContact CE2-CB 3.84Å; K96-A100 PolarHBondContact O-N 3.45Å; S97-A100 PolarHBondContact O-N 2.91Å; S97-A100 VanDerWaalsContact O-N 3.1Å; V98-A100 PolarHBondContact O-N 3.1Å; V98-A100 VanDerWaalsContact O-N 3.17Å; A100-F189 HydrophobicContact CB-CD2 3.72Å; A100-F189 HydrophobicContact CB-CE2 4.15Å
101I93.6Very high93.7Very high42 Ų4246.5 Ų46.522%0.21528%0.28CS..SBendtrans-88.5119.6172.7-61172.7000108.4V98 T103 V104 H110 F180 A186V98-I101 WeakPolarHBondContact O-CB 3.3Å; V98-I101 PolarHBondContact O-N 2.85Å; V98-I101 VanDerWaalsContact O-N 3.09Å; I101-T103 WeakPolarHBondContact CG2-OG1 3.19Å; I101-T103 PolarHBondContact O-N 3.45Å; I101-V104 HydrophobicContact CB-CG2 3.78Å; I101-V104 HydrophobicContact CG2-CG2 3.95Å; I101-V104 PolarHBondContact O-N 3.28Å; I101-H110 PolarHBondContact O-CE1 3.34Å; I101-F180 HydrophobicContact CG2-CE1 4.39Å; I101-F180 HydrophobicContact CG2-CE2 4.23Å; I101-F180 HydrophobicContact CG2-CZ 3.95Å; I101-A186 HydrophobicContact CG1-CB 3.88Å
102P88.4Confident93.5Very high55 Ų5544.5 Ų44.536%0.35728%0.28SS..THydrogen-bonded Turntrans-58.2-24.9-174.3-28.436000115.8Y42 V104 F180Y42-P102 HydrophobicContact CE2-CG 4.2Å; Y42-P102 WeakPolarHBondContact OH-CA 3.46Å; P102-V104 VanDerWaalsContact C-N 3.29Å; P102-V104 PolarHBondContact O-N 2.92Å; P102-F180 HydrophobicContact CG-CB 3.92Å; P102-F180 HydrophobicContact CG-CD2 4.18Å; P102-F180 HydrophobicContact CG-CG 4.21Å
103T88.4Confident93.5Very high114 Ų11446.8 Ų46.870%0.69929%0.292SS*.THydrogen-bonded Turntrans-82.5-2.9-179.260.30000113.8I101 G105I101-T103 WeakPolarHBondContact CG2-OG1 3.19Å; I101-T103 PolarHBondContact O-N 3.45Å; T103-G105 PolarHBondContact O-N 3.07Å
104V89.1Confident93.3Very high41 Ų4146.7 Ų46.725%0.24829%0.292CS..SBendtrans-94.485.6-174.5-178.70000111V98 I101 P102 H110 L113V98-V104 HydrophobicContact CG1-CG1 4.14Å; V98-V104 HydrophobicContact CG1-CG2 4.29Å; I101-V104 HydrophobicContact CB-CG2 3.78Å; I101-V104 HydrophobicContact CG2-CG2 3.95Å; I101-V104 PolarHBondContact O-N 3.28Å; P102-V104 VanDerWaalsContact C-N 3.29Å; P102-V104 PolarHBondContact O-N 2.92Å; V104-H110 PolarHBondContact O-CE1 3.15Å; V104-L113 HydrophobicContact CG1-CD1 3.9Å
105G88.6Confident93.2Very high55 Ų5545.6 Ų45.657%0.56728%0.282SS*.SBendtrans79.9-159173.700000113.9T103T103-G105 PolarHBondContact O-N 3.07Å
106N91.5Very high93.2Very high84 Ų8449.9 Ų49.945%0.44930%0.299SS..  trans-101.1-177.5175.272.7-15.6000110.6D108 V109 H110N106-D108 VanDerWaalsContact C-N 3.25Å; N106-D108 PolarHBondContact ND2-OD2 3.11Å; N106-D108 PolarHBondContact O-N 3.04Å; N106-D108 PolarHBondContact OD1-N 2.91Å; N106-V109 WeakPolarHBondContact O-CB 3.37Å; N106-V109 PolarHBondContact O-N 3.43Å; N106-V109 WeakPolarHBondContact OD1-CG2 3.25Å; N106-V109 PolarHBondContact OD1-N 3.44Å; N106-H110 PolarHBondContact O-CD2 3.36Å; N106-H110 PolarHBondContact O-N 3.37Å
107T89.7Confident93.4Very high89 Ų8949.9 Ų49.955%0.54630%0.299SS..Hα-helixtrans-51.3-41.8176.8-48.50000113.1V109 H110 I111T107-V109 VanDerWaalsContact C-N 3.33Å; T107-V109 PolarHBondContact O-N 3.41Å; T107-H110 PolarHBondContact O-N 3.11Å; T107-I111 HydrophobicContact CG2-CD1 4.09Å; T107-I111 WeakPolarHBondContact O-CG1 3.4Å; T107-I111 PolarHBondContact O-N 3.46Å
108D92.2Very high93.5Very high114 Ų11449.2 Ų49.261%0.6129%0.294SS*.Hα-helixtrans-65.2-38179.9-53.2-43.3000112.1N106 I111 G112N106-D108 VanDerWaalsContact C-N 3.25Å; N106-D108 PolarHBondContact ND2-OD2 3.11Å; N106-D108 PolarHBondContact O-N 3.04Å; N106-D108 PolarHBondContact OD1-N 2.91Å; D108-I111 PolarHBondContact O-N 3.14Å; D108-G112 PolarHBondContact O-N 2.93Å
109V94.4Very high93.6Very high60 Ų6050.3 Ų50.336%0.36430%0.297SS..Hα-helixtrans-66.2-43175.1173.20000110.7N106 T107 I111 G112 L113N106-V109 WeakPolarHBondContact O-CB 3.37Å; N106-V109 PolarHBondContact O-N 3.43Å; N106-V109 WeakPolarHBondContact OD1-CG2 3.25Å; N106-V109 PolarHBondContact OD1-N 3.44Å; T107-V109 VanDerWaalsContact C-N 3.33Å; T107-V109 PolarHBondContact O-N 3.41Å; V109-I111 VanDerWaalsContact C-N 3.33Å; V109-I111 PolarHBondContact O-N 3.46Å; V109-G112 PolarHBondContact O-N 3.09Å; V109-L113 HydrophobicContact CG1-CD1 3.73Å; V109-L113 HydrophobicContact CG1-CG 4.15Å; V109-L113 WeakPolarHBondContact O-CB 3.36Å; V109-L113 VanDerWaalsContact O-CG 3.31Å; V109-L113 WeakPolarHBondContact O-CG 3.29Å; V109-L113 PolarHBondContact O-N 3.46Å
110H93.6Very high93.8Very high18 Ų1851.5 Ų51.58%0.08330%0.303CS..Hα-helixtrans-59.2-44.3174.7-66.9-54.1000112Y42 L43 G99 I101 V104 N106 T107 S114Y42-H110 HydrophobicContact CE1-CB 4.42Å; L43-H110 HydrophobicContact CD2-CB 4.04Å; G99-H110 PolarHBondContact O-ND1 3Å; I101-H110 PolarHBondContact O-CE1 3.34Å; V104-H110 PolarHBondContact O-CE1 3.15Å; N106-H110 PolarHBondContact O-CD2 3.36Å; N106-H110 PolarHBondContact O-N 3.37Å; T107-H110 PolarHBondContact O-N 3.11Å; H110-S114 WeakPolarHBondContact O-CB 3.24Å; H110-S114 PolarHBondContact O-N 3.39Å
111I94.8Very high94.1Very high45 Ų4551.4 Ų51.423%0.23130%0.302CS..Hα-helixtrans-63.1-50.4176.4-68.7168.8000110.3L43 W45 T107 D108 V109 L113 S114 M115L43-I111 HydrophobicContact CD1-CG1 4.42Å; L43-I111 HydrophobicContact CD2-CG1 4.14Å; W45-I111 HydrophobicContact CH2-CG2 4.45Å; W45-I111 HydrophobicContact CZ2-CB 4.45Å; W45-I111 HydrophobicContact CZ2-CD1 4.23Å; W45-I111 HydrophobicContact CZ2-CG1 3.92Å; W45-I111 HydrophobicContact CZ2-CG2 3.82Å; T107-I111 HydrophobicContact CG2-CD1 4.09Å; T107-I111 WeakPolarHBondContact O-CG1 3.4Å; T107-I111 PolarHBondContact O-N 3.46Å; D108-I111 PolarHBondContact O-N 3.14Å; V109-I111 VanDerWaalsContact C-N 3.33Å; V109-I111 PolarHBondContact O-N 3.46Å; I111-L113 PolarHBondContact O-N 3.42Å; I111-S114 PolarHBondContact O-N 3.1Å; I111-M115 HydrophobicContact CG2-CG 4.36Å; I111-M115 WeakPolarHBondContact O-CG 3.23Å; I111-M115 PolarHBondContact O-N 3.43Å
112G96Very high94.3Very high40 Ų4049.4 Ų49.441%0.41229%0.292SS..Hα-helixtrans-60.1-48-178.300000112.9D108 V109 S114 M115 F116D108-G112 PolarHBondContact O-N 2.93Å; V109-G112 PolarHBondContact O-N 3.09Å; G112-S114 VanDerWaalsContact C-N 3.35Å; G112-M115 PolarHBondContact O-N 2.9Å; G112-F116 VanDerWaalsContact O-CB 3.27Å; G112-F116 WeakPolarHBondContact O-CB 3.14Å; G112-F116 PolarHBondContact O-N 3.17Å
113L96.4Very high94.7Very high48 Ų4849.8 Ų49.825%0.25129%0.291SS..Hα-helixtrans-63.7-40.6175.6-68.9175000111.5V95 V104 V109 I111 G117V95-L113 HydrophobicContact CG1-CB 4.32Å; V95-L113 HydrophobicContact CG1-CD2 4.1Å; V95-L113 WeakPolarHBondContact CG1-O 3.25Å; V104-L113 HydrophobicContact CG1-CD1 3.9Å; V109-L113 HydrophobicContact CG1-CD1 3.73Å; V109-L113 HydrophobicContact CG1-CG 4.15Å; V109-L113 WeakPolarHBondContact O-CB 3.36Å; V109-L113 VanDerWaalsContact O-CG 3.31Å; V109-L113 WeakPolarHBondContact O-CG 3.29Å; V109-L113 PolarHBondContact O-N 3.46Å; I111-L113 PolarHBondContact O-N 3.42Å; L113-G117 PolarHBondContact O-N 3.29Å
114S94.6Very high95.1Very high0 Ų044.3 Ų44.30%026%0.257CS..Hα-helixtrans-62.1-49.2177.8-176.10000111.9Y38 K96 H110 I111 G112 G117 L118Y38-S114 WeakPolarHBondContact CE1-OG 3.13Å; K96-S114 VanDerWaalsContact CE-OG 3.24Å; K96-S114 WeakPolarHBondContact CE-OG 3.41Å; H110-S114 WeakPolarHBondContact O-CB 3.24Å; H110-S114 PolarHBondContact O-N 3.39Å; I111-S114 PolarHBondContact O-N 3.1Å; G112-S114 VanDerWaalsContact C-N 3.35Å; S114-G117 PolarHBondContact O-N 2.72Å; S114-L118 VanDerWaalsContact O-CG 3.31Å; S114-L118 WeakPolarHBondContact O-CG 3.38Å; S114-L118 PolarHBondContact O-N 3.17Å
115M96.6Very high95.3Very high46 Ų4642.4 Ų42.423%0.22725%0.246CC..Hα-helixtrans-66.4-44-179.6-67-54.49700111.8F39 W45 I53 I111 G112 G117 L118 I119F39-M115 HydrophobicContact CE1-CE 4.13Å; W45-M115 HydrophobicContact CH2-CE 3.6Å; W45-M115 HydrophobicContact CH2-SD 4Å; W45-M115 HydrophobicContact CZ3-CE 3.98Å; I53-M115 HydrophobicContact CG2-CE 3.96Å; I53-M115 HydrophobicContact CG2-SD 3.94Å; I111-M115 HydrophobicContact CG2-CG 4.36Å; I111-M115 WeakPolarHBondContact O-CG 3.23Å; I111-M115 PolarHBondContact O-N 3.43Å; G112-M115 PolarHBondContact O-N 2.9Å; M115-G117 PolarHBondContact O-N 2.88Å; M115-L118 HydrophobicContact CE-CD1 3.71Å; M115-L118 PolarHBondContact O-N 3.16Å; M115-I119 WeakPolarHBondContact O-CG1 3.4Å; M115-I119 PolarHBondContact O-N 3.29Å
116F97.8Very high95.5Very high116 Ų11639.8 Ų39.851%0.50922%0.219SC..Hα-helixtrans-61.6-45.3176.4-175-118.6000111.4V95 G112 L118 I119 L120V95-F116 HydrophobicContact CG1-CD1 4.02Å; G112-F116 VanDerWaalsContact O-CB 3.27Å; G112-F116 WeakPolarHBondContact O-CB 3.14Å; G112-F116 PolarHBondContact O-N 3.17Å; F116-L118 PolarHBondContact O-N 3.42Å; F116-I119 PolarHBondContact O-N 3.11Å; F116-L120 HydrophobicContact CD1-CD1 4.08Å; F116-L120 HydrophobicContact CE1-CD1 3.59Å; F116-L120 HydrophobicContact CE1-CG 4.37Å; F116-L120 HydrophobicContact CE2-CD1 4.36Å; F116-L120 HydrophobicContact CE2-CD2 4.32Å; F116-L120 HydrophobicContact CE2-CG 4.33Å; F116-L120 HydrophobicContact CZ-CD1 3.75Å; F116-L120 HydrophobicContact CZ-CD2 4.24Å; F116-L120 HydrophobicContact CZ-CG 4.19Å; F116-L120 WeakPolarHBondContact O-CG 3.33Å; F116-L120 PolarHBondContact O-N 2.98Å; F116-L120 VanDerWaalsContact O-N 3.1Å
117G97.8Very high95.5Very high0 Ų035.9 Ų35.90%020%0.198CC..Hα-helixtrans-57.7-46.9175.400000112.7G92 L113 S114 M115 I119 L120 I121G92-G117 WeakPolarHBondContact O-CA 3.4Å; L113-G117 PolarHBondContact O-N 3.29Å; S114-G117 PolarHBondContact O-N 2.72Å; M115-G117 PolarHBondContact O-N 2.88Å; G117-I119 PolarHBondContact O-N 3.41Å; G117-L120 PolarHBondContact O-N 3.25Å; G117-I121 WeakPolarHBondContact O-CB 3.35Å; G117-I121 WeakPolarHBondContact O-CG1 3.32Å; G117-I121 PolarHBondContact O-N 2.97Å
118L97.9Very high95.6Very high6 Ų631.7 Ų31.73%0.03117%0.173CC..Hα-helixtrans-63.8-38.9179-72.2173.4000113.2M31 L35 F39 F57 K96 S114 M115 F116 I121 A122M31-L118 HydrophobicContact SD-CD2 4.11Å; L35-L118 HydrophobicContact CD1-CD1 4.32Å; L35-L118 HydrophobicContact CD1-CD2 4Å; L35-L118 HydrophobicContact CD2-CD1 4.48Å; L35-L118 HydrophobicContact CD2-CD2 3.94Å; F39-L118 HydrophobicContact CE1-CD1 4.03Å; F39-L118 HydrophobicContact CZ-CD1 3.67Å; F57-L118 HydrophobicContact CD2-CB 3.96Å; F57-L118 HydrophobicContact CD2-CD2 3.88Å; F57-L118 HydrophobicContact CD2-CG 4.45Å; F57-L118 HydrophobicContact CE2-CD2 4.05Å; F57-L118 WeakPolarHBondContact CE2-O 3.44Å; F57-L118 HydrophobicContact CG-CD2 4.16Å; F57-L118 HydrophobicContact CZ-CD2 4.48Å; K96-L118 HydrophobicContact CD-CG 4.43Å; S114-L118 VanDerWaalsContact O-CG 3.31Å; S114-L118 WeakPolarHBondContact O-CG 3.38Å; S114-L118 PolarHBondContact O-N 3.17Å; M115-L118 HydrophobicContact CE-CD1 3.71Å; M115-L118 PolarHBondContact O-N 3.16Å; F116-L118 PolarHBondContact O-N 3.42Å; L118-I121 PolarHBondContact O-N 2.86Å; L118-A122 WeakPolarHBondContact O-CB 3Å; L118-A122 PolarHBondContact O-N 2.85Å
119I98.3Very high95.4Very high82 Ų8228.1 Ų28.142%0.42115%0.151SC..Hα-helixtrans-63-46.4175.6-69.3165.9000110.4M115 F116 G117 A122 L123M115-I119 WeakPolarHBondContact O-CG1 3.4Å; M115-I119 PolarHBondContact O-N 3.29Å; F116-I119 PolarHBondContact O-N 3.11Å; G117-I119 PolarHBondContact O-N 3.41Å; I119-A122 PolarHBondContact O-N 3.34Å; I119-L123 HydrophobicContact CG2-CD1 4.04Å; I119-L123 VanDerWaalsContact O-CG 3.31Å; I119-L123 WeakPolarHBondContact O-CG 3.44Å; I119-L123 PolarHBondContact O-N 2.67Å
120L98.3Very high94.8Very high25 Ų2527.3 Ų27.313%0.13115%0.148CC..Hα-helixtrans-63.5-42.2177.6-65.9-178.1000112V88 I91 F116 G117 A122 L123 G124V88-L120 HydrophobicContact CG1-CB 4.22Å; V88-L120 HydrophobicContact CG1-CD2 3.99Å; I91-L120 HydrophobicContact CG2-CD1 3.84Å; F116-L120 HydrophobicContact CD1-CD1 4.08Å; F116-L120 HydrophobicContact CE1-CD1 3.59Å; F116-L120 HydrophobicContact CE1-CG 4.37Å; F116-L120 HydrophobicContact CE2-CD1 4.36Å; F116-L120 HydrophobicContact CE2-CD2 4.32Å; F116-L120 HydrophobicContact CE2-CG 4.33Å; F116-L120 HydrophobicContact CZ-CD1 3.75Å; F116-L120 HydrophobicContact CZ-CD2 4.24Å; F116-L120 HydrophobicContact CZ-CG 4.19Å; F116-L120 WeakPolarHBondContact O-CG 3.33Å; F116-L120 PolarHBondContact O-N 2.98Å; F116-L120 VanDerWaalsContact O-N 3.1Å; G117-L120 PolarHBondContact O-N 3.25Å; L120-A122 VanDerWaalsContact C-N 3.35Å; L120-L123 PolarHBondContact O-N 2.89Å; L120-G124 PolarHBondContact O-N 2.76Å
121I98.3Very high94.4Very high0 Ų026.6 Ų26.60%014%0.144CC..Hα-helixtrans-58.7-47.5174-72.9167000110.1M31 F57 Y89 K96 G117 L118 L123 G124 T125M31-I121 HydrophobicContact CE-CD1 4.22Å; M31-I121 HydrophobicContact CE-CG2 3.61Å; F57-I121 HydrophobicContact CE2-CB 4.2Å; F57-I121 HydrophobicContact CE2-CG2 3.59Å; F57-I121 HydrophobicContact CZ-CG2 3.66Å; Y89-I121 HydrophobicContact CD2-CB 4.21Å; Y89-I121 HydrophobicContact CD2-CG1 4.12Å; Y89-I121 HydrophobicContact CD2-CG2 4.23Å; Y89-I121 HydrophobicContact CE2-CB 4.03Å; Y89-I121 HydrophobicContact CE2-CG1 4.08Å; Y89-I121 HydrophobicContact CE2-CG2 3.55Å; K96-I121 HydrophobicContact CB-CD1 4.16Å; G117-I121 WeakPolarHBondContact O-CB 3.35Å; G117-I121 WeakPolarHBondContact O-CG1 3.32Å; G117-I121 PolarHBondContact O-N 2.97Å; L118-I121 PolarHBondContact O-N 2.86Å; I121-L123 PolarHBondContact O-N 3.12Å; I121-G124 PolarHBondContact O-N 2.79Å; I121-T125 WeakPolarHBondContact O-CG2 3.37Å; I121-T125 PolarHBondContact O-N 2.94Å
122A97.5Very high94.2Very high0 Ų024.6 Ų24.60%014%0.135CC..Hα-helixtrans-62.3-44.3-179.300000112.2F57 L60 T64 L118 I119 L120 G124 G126F57-A122 HydrophobicContact CD2-CB 4.06Å; F57-A122 HydrophobicContact CE2-CB 3.94Å; L60-A122 HydrophobicContact CB-CB 3.98Å; L60-A122 HydrophobicContact CD2-CB 3.64Å; L60-A122 HydrophobicContact CG-CB 3.68Å; T64-A122 PolarHBondContact OG1-O 2.99Å; L118-A122 WeakPolarHBondContact O-CB 3Å; L118-A122 PolarHBondContact O-N 2.85Å; I119-A122 PolarHBondContact O-N 3.34Å; L120-A122 VanDerWaalsContact C-N 3.35Å; A122-G124 VanDerWaalsContact C-N 3.34Å; A122-G126 PolarHBondContact O-N 3.47Å
123L96.6Very high93.6Very high62 Ų6224.3 Ų24.333%0.32513%0.128SC..Hα-helixtrans-62.2-41.4174.3-69.4170.3000112.1T64 V88 I119 L120 I121 G127T64-L123 HydrophobicContact CG2-CD2 3.76Å; V88-L123 HydrophobicContact CG1-CB 4.49Å; I119-L123 HydrophobicContact CG2-CD1 4.04Å; I119-L123 VanDerWaalsContact O-CG 3.31Å; I119-L123 WeakPolarHBondContact O-CG 3.44Å; I119-L123 PolarHBondContact O-N 2.67Å; L120-L123 PolarHBondContact O-N 2.89Å; I121-L123 PolarHBondContact O-N 3.12Å; L123-G127 WeakPolarHBondContact O-CA 3.48Å; L123-G127 PolarHBondContact O-N 2.68Å
124G96.6Very high92.9Very high0 Ų023.7 Ų23.70%013%0.13CC..Hα-helixtrans-63.8-64.4178.300000112.5L85 L120 I121 A122 G126 G127 I128L85-G124 WeakPolarHBondContact O-CA 3.45Å; L120-G124 PolarHBondContact O-N 2.76Å; I121-G124 PolarHBondContact O-N 2.79Å; A122-G124 VanDerWaalsContact C-N 3.34Å; G124-G126 PolarHBondContact O-N 3.35Å; G124-G127 PolarHBondContact O-N 2.68Å; G124-I128 WeakPolarHBondContact O-CG1 3.21Å; G124-I128 WeakPolarHBondContact O-CG2 3.45Å; G124-I128 PolarHBondContact O-N 2.91Å; G124-I128 VanDerWaalsContact O-N 3.12Å
125T95Very high92.5Very high0 Ų023.8 Ų23.80%013%0.13CC..Hα-helixtrans-61.2-46.9-177.5-169.40000112E24 Y28 C61 Y89 I121 G127 I128 K129E24-T125 PolarHBondContact OE1-OG1 2.82Å; Y28-T125 HydrophobicContact CD2-CG2 4.02Å; Y28-T125 HydrophobicContact CE2-CG2 3.94Å; C61-T125 HydrophobicContact CB-CG2 4.02Å; Y89-T125 VanDerWaalsContact CE1-CB 3.44Å; I121-T125 WeakPolarHBondContact O-CG2 3.37Å; I121-T125 PolarHBondContact O-N 2.94Å; T125-G127 VanDerWaalsContact C-N 3.32Å; T125-G127 PolarHBondContact O-N 2.74Å; T125-I128 VanDerWaalsContact O-CG1 3.32Å; T125-I128 WeakPolarHBondContact O-CG1 3.35Å; T125-I128 PolarHBondContact O-N 3.37Å; T125-K129 VanDerWaalsContact O-CG 3.29Å; T125-K129 WeakPolarHBondContact O-CG 3.39Å; T125-K129 PolarHBondContact O-N 2.9Å; T125-K129 VanDerWaalsContact O-N 3.11Å
126G91.8Very high92Very high0 Ų021.6 Ų21.60%012%0.12CC..Hα-helixtrans-65.2-40.5-179.200000111.3C61 T64 P65 A122 G124 I128 K129 P130C61-G126 VanDerWaalsContact O-CA 3.32Å; C61-G126 WeakPolarHBondContact O-CA 3.42Å; T64-G126 WeakPolarHBondContact OG1-CA 3.2Å; P65-G126 WeakPolarHBondContact CA-O 3.38Å; P65-G126 WeakPolarHBondContact CG-O 3.29Å; A122-G126 PolarHBondContact O-N 3.47Å; G124-G126 PolarHBondContact O-N 3.35Å; G126-I128 PolarHBondContact O-N 2.77Å; G126-K129 PolarHBondContact O-N 2.88Å; G126-P130 VanDerWaalsContact O-CD 3.25Å; G126-P130 WeakPolarHBondContact O-CD 3.29Å
127G91.4Very high91.3Very high2 Ų216.4 Ų16.42%0.02110%0.099CC..Hα-helixtrans-60.9-38.3177.400000115.4G68 L123 G124 T125G68-G127 WeakPolarHBondContact CA-O 3.41Å; L123-G127 WeakPolarHBondContact O-CA 3.48Å; L123-G127 PolarHBondContact O-N 2.68Å; G124-G127 PolarHBondContact O-N 2.68Å; T125-G127 VanDerWaalsContact C-N 3.32Å; T125-G127 PolarHBondContact O-N 2.74Å
128I92.7Very high90.6Very high2 Ų218.6 Ų18.61%0.0111%0.111CC..Hα-helixtrans-84.4-27.8-179.166.2178.2000113.5E24 L85 Y89 G124 T125 G126 P130 C131 V132E24-I128 HydrophobicContact CG-CD1 3.84Å; L85-I128 HydrophobicContact CB-CG2 3.69Å; Y89-I128 HydrophobicContact CD1-CD1 3.98Å; Y89-I128 HydrophobicContact CE1-CD1 4.25Å; G124-I128 WeakPolarHBondContact O-CG1 3.21Å; G124-I128 WeakPolarHBondContact O-CG2 3.45Å; G124-I128 PolarHBondContact O-N 2.91Å; G124-I128 VanDerWaalsContact O-N 3.12Å; T125-I128 VanDerWaalsContact O-CG1 3.32Å; T125-I128 WeakPolarHBondContact O-CG1 3.35Å; T125-I128 PolarHBondContact O-N 3.37Å; G126-I128 PolarHBondContact O-N 2.77Å; I128-P130 VanDerWaalsContact C-CD 3.5Å; I128-C131 WeakPolarHBondContact O-CA 3.5Å; I128-C131 WeakPolarHBondContact O-CB 3.25Å; I128-C131 PolarHBondContact O-N 2.7Å; I128-V132 HydrophobicContact CB-CG2 4.14Å; I128-V132 PolarHBondContact O-N 3.19Å; I128-V132 VanDerWaalsContact O-N 3.09Å
129K86.8Confident90.1Very high38 Ų3818.8 Ų18.817%0.16511%0.111CC..Hα-helixtrans-45.1-51.9-178.2-89.3176.3-174.6-170.30114.8T125 G126 C131T125-K129 VanDerWaalsContact O-CG 3.29Å; T125-K129 WeakPolarHBondContact O-CG 3.39Å; T125-K129 PolarHBondContact O-N 2.9Å; T125-K129 VanDerWaalsContact O-N 3.11Å; G126-K129 PolarHBondContact O-N 2.88Å; K129-C131 PolarHBondContact O-N 2.65Å
130P82.8Confident89.4Confident44 Ų4415.3 Ų15.329%0.2869%0.093SC..Hα-helixtrans-72.4-16.7-178.630.4-36.4000112.9P65 A69 G126 I128P65-P130 HydrophobicContact CB-CG 4.31Å; A69-P130 HydrophobicContact CB-CB 4.29Å; A69-P130 HydrophobicContact CB-CG 4.21Å; G126-P130 VanDerWaalsContact O-CD 3.25Å; G126-P130 WeakPolarHBondContact O-CD 3.29Å; I128-P130 VanDerWaalsContact C-CD 3.5Å
131C85.3Confident88.5Confident2 Ų218.1 Ų18.11%0.01411%0.108CC..Hα-helixtrans-92.8-42.5-171.6-58.60000112.8I82 I128 K129 A134 F135I82-C131 HydrophobicContact CD1-CB 3.91Å; I82-C131 HydrophobicContact CG1-CB 3.55Å; I128-C131 WeakPolarHBondContact O-CA 3.5Å; I128-C131 WeakPolarHBondContact O-CB 3.25Å; I128-C131 PolarHBondContact O-N 2.7Å; K129-C131 PolarHBondContact O-N 2.65Å; C131-A134 PolarHBondContact O-N 3.13Å; C131-F135 WeakPolarHBondContact O-CB 3.45Å; C131-F135 PolarHBondContact O-N 3.43Å
132V89.1Confident87.3Confident4 Ų426.3 Ų26.32%0.02415%0.147CC..Hα-helixtrans-66.9-49.8-168.1177.70000112.4I17 E21 I82 I128 A134 F135 G136 F155I17-V132 HydrophobicContact CG2-CG1 4.42Å; E21-V132 WeakPolarHBondContact OE2-CG1 3.46Å; I82-V132 HydrophobicContact CD1-CG2 4.03Å; I82-V132 HydrophobicContact CG1-CG2 3.98Å; I82-V132 HydrophobicContact CG2-CG2 4.21Å; I128-V132 HydrophobicContact CB-CG2 4.14Å; I128-V132 PolarHBondContact O-N 3.19Å; I128-V132 VanDerWaalsContact O-N 3.09Å; V132-A134 VanDerWaalsContact C-N 3.34Å; V132-A134 PolarHBondContact O-N 3Å; V132-F135 PolarHBondContact O-N 2.89Å; V132-G136 PolarHBondContact O-N 3.42Å; V132-F155 HydrophobicContact CG1-CE2 4.27Å; V132-F155 HydrophobicContact CG1-CZ 4.33Å
133A83.4Confident86.1Confident33 Ų3334.6 Ų34.627%0.27319%0.185SC..Hα-helixtrans-62.7-42179.400000111.7G136 G137 F155A133-G136 PolarHBondContact O-N 2.95Å; A133-G137 PolarHBondContact O-N 3.21Å; A133-G137 VanDerWaalsContact O-N 3.08Å; A133-F155 HydrophobicContact CB-CE1 4.01Å; A133-F155 HydrophobicContact CB-CZ 4.06Å
134A82.5Confident85.2Confident36 Ų3633.7 Ų33.730%0.29818%0.179SC..Hα-helixtrans-64.4-45176.300000111.5K78 C131 V132 G136 G137 D138K78-A134 HydrophobicContact CD-CB 4.24Å; C131-A134 PolarHBondContact O-N 3.13Å; V132-A134 VanDerWaalsContact C-N 3.34Å; V132-A134 PolarHBondContact O-N 3Å; A134-G136 VanDerWaalsContact C-N 3.31Å; A134-G136 PolarHBondContact O-N 2.79Å; A134-G137 PolarHBondContact O-N 3.33Å; A134-D138 PolarHBondContact O-N 3.17Å
135F87Confident84Confident1 Ų138.6 Ų38.60%0.00421%0.205CC..Hα-helixtrans-63.2-36.5178.1-175.3-105.6000112.6I17 K78 F79 I82 C131 V132 D138 Q139 F203 Y210I17-F135 HydrophobicContact CD1-CD1 4.27Å; I17-F135 HydrophobicContact CD1-CE1 4.42Å; K78-F135 HydrophobicContact CB-CB 4.42Å; K78-F135 HydrophobicContact CB-CD2 4.12Å; F79-F135 HydrophobicContact CB-CE2 3.79Å; F79-F135 HydrophobicContact CB-CZ 4.05Å; F79-F135 HydrophobicContact CD2-CE1 4.25Å; F79-F135 HydrophobicContact CD2-CE2 4.29Å; F79-F135 AromaticContact CD2-CZ 3.66Å; F79-F135 HydrophobicContact CD2-CZ 3.66Å; F79-F135 HydrophobicContact CG-CE2 4.48Å; F79-F135 HydrophobicContact CG-CZ 4.26Å; I82-F135 HydrophobicContact CD1-CB 3.88Å; I82-F135 HydrophobicContact CD1-CD1 4.22Å; I82-F135 HydrophobicContact CD1-CG 4.05Å; C131-F135 WeakPolarHBondContact O-CB 3.45Å; C131-F135 PolarHBondContact O-N 3.43Å; V132-F135 PolarHBondContact O-N 2.89Å; F135-D138 PolarHBondContact O-N 3.47Å; F135-Q139 WeakPolarHBondContact O-CG 3.45Å; F135-Q139 PolarHBondContact O-NE2 2.83Å; F135-F203 AromaticContact CD1-CE2 3.91Å; F135-F203 HydrophobicContact CD1-CE2 3.91Å; F135-F203 AromaticContact CD1-CZ 3.79Å; F135-F203 HydrophobicContact CD1-CZ 3.79Å; F135-F203 AromaticContact CE1-CE2 3.83Å; F135-F203 HydrophobicContact CE1-CE2 3.83Å; F135-F203 AromaticContact CE1-CZ 3.55Å; F135-F203 HydrophobicContact CE1-CZ 3.55Å; F135-F203 HydrophobicContact CZ-CZ 4.34Å; F135-Y210 AromaticContact CE1-CD1 3.9Å; F135-Y210 HydrophobicContact CE1-CD1 3.9Å; F135-Y210 AromaticContact CE1-CD2 3.8Å; F135-Y210 HydrophobicContact CE1-CD2 3.8Å; F135-Y210 HydrophobicContact CE1-CE1 4.3Å; F135-Y210 HydrophobicContact CE1-CE2 4.17Å; F135-Y210 AromaticContact CE1-CG 3.68Å; F135-Y210 HydrophobicContact CE1-CG 3.68Å; F135-Y210 HydrophobicContact CZ-CD1 4.25Å; F135-Y210 AromaticContact CZ-CD2 3.77Å; F135-Y210 HydrophobicContact CZ-CD2 3.77Å; F135-Y210 AromaticContact CZ-CG 3.62Å; F135-Y210 HydrophobicContact CZ-CG 3.62Å
136G85.8Confident83.1Confident0 Ų046.8 Ų46.80%024%0.24CC..Hα-helixtrans-65.6-41.7173.300000113V132 A133 A134 D138 Q139V132-G136 PolarHBondContact O-N 3.42Å; A133-G136 PolarHBondContact O-N 2.95Å; A134-G136 VanDerWaalsContact C-N 3.31Å; A134-G136 PolarHBondContact O-N 2.79Å; G136-D138 VanDerWaalsContact C-N 3.31Å; G136-D138 PolarHBondContact O-N 2.73Å; G136-Q139 WeakPolarHBondContact O-CB 3.4Å; G136-Q139 PolarHBondContact O-N 3.26Å
137G81.6Confident82.6Confident7 Ų748.7 Ų48.77%0.07225%0.249CC..Hα-helixtrans-61.3-38.1173.400000113.2A133 A134 Q139 F140A133-G137 PolarHBondContact O-N 3.21Å; A133-G137 VanDerWaalsContact O-N 3.08Å; A134-G137 PolarHBondContact O-N 3.33Å; G137-Q139 PolarHBondContact O-N 3.49Å; G137-Q139 VanDerWaalsContact O-N 3.14Å; G137-F140 PolarHBondContact O-N 3.39Å
138D83.8Confident81.8Confident47 Ų4751.9 Ų51.925%0.25126%0.26SS..THydrogen-bonded Turntrans-66.3-11.4179.9-64.5-21.3000113.7K78 A134 F135 G136 F140K78-D138 IonicContact NZ-OD1 3.5Å; K78-D138 IonicContact NZ-OD2 3.67Å; K78-D138 PolarHBondContact NZ-OD2 3.29Å; A134-D138 PolarHBondContact O-N 3.17Å; F135-D138 PolarHBondContact O-N 3.47Å; G136-D138 VanDerWaalsContact C-N 3.31Å; G136-D138 PolarHBondContact O-N 2.73Å; D138-F140 VanDerWaalsContact C-N 3.3Å
139Q87.8Confident81Confident10 Ų1057.7 Ų57.75%0.04729%0.288CS..THydrogen-bonded Turntrans-77.4-15.9178.2-56.4-47.7-65.300113.5P11 I14 I17 F135 G136 G137 Y210 K211P11-Q139 WeakPolarHBondContact CG-O 3.28Å; I14-Q139 HydrophobicContact CD1-CB 3.73Å; I14-Q139 HydrophobicContact CD1-CG 4.04Å; I17-Q139 HydrophobicContact CD1-CG 3.65Å; F135-Q139 WeakPolarHBondContact O-CG 3.45Å; F135-Q139 PolarHBondContact O-NE2 2.83Å; G136-Q139 WeakPolarHBondContact O-CB 3.4Å; G136-Q139 PolarHBondContact O-N 3.26Å; G137-Q139 PolarHBondContact O-N 3.49Å; G137-Q139 VanDerWaalsContact O-N 3.14Å; Q139-Y210 VanDerWaalsContact OE1-CA 3.27Å; Q139-K211 PolarHBondContact NE2-O 3.28Å; Q139-K211 VanDerWaalsContact NE2-O 3.13Å
140F84.3Confident80.7Confident8 Ų862.2 Ų62.24%0.03531%0.307CS..SBendtrans-94139.9177.5-63.3-88.7000110.5Y10 P11 I14 G137 D138 E147 R148 F151Y10-F140 AromaticContact CD1-CE1 3.92Å; Y10-F140 HydrophobicContact CD1-CE1 3.92Å; Y10-F140 AromaticContact CD1-CZ 3.9Å; Y10-F140 HydrophobicContact CD1-CZ 3.9Å; Y10-F140 AromaticContact CE1-CE1 3.98Å; Y10-F140 HydrophobicContact CE1-CE1 3.98Å; Y10-F140 AromaticContact CE1-CZ 3.82Å; Y10-F140 HydrophobicContact CE1-CZ 3.82Å; P11-F140 HydrophobicContact CG-CD1 4.4Å; P11-F140 HydrophobicContact CG-CE1 4.42Å; I14-F140 HydrophobicContact CD1-CD2 4.3Å; I14-F140 HydrophobicContact CD1-CE2 3.43Å; I14-F140 VanDerWaalsContact CD1-CE2 3.43Å; I14-F140 HydrophobicContact CD1-CZ 3.71Å; I14-F140 HydrophobicContact CG1-CE2 3.97Å; I14-F140 HydrophobicContact CG1-CZ 3.69Å; G137-F140 PolarHBondContact O-N 3.39Å; D138-F140 VanDerWaalsContact C-N 3.3Å; F140-E147 HydrophobicContact CD1-CB 4.15Å; F140-E147 HydrophobicContact CE1-CB 4.02Å; F140-R148 HydrophobicContact CB-CB 4.24Å; F140-R148 HydrophobicContact CB-CG 4.32Å; F140-R148 HydrophobicContact CD2-CB 4.25Å; F140-R148 HydrophobicContact CD2-CG 4.04Å; F140-R148 HydrophobicContact CG-CB 4.11Å; F140-R148 HydrophobicContact CG-CG 4.29Å; F140-F151 HydrophobicContact CE2-CB 3.53Å; F140-F151 AromaticContact CE2-CD1 3.87Å; F140-F151 HydrophobicContact CE2-CD1 3.87Å; F140-F151 HydrophobicContact CE2-CD2 4.09Å; F140-F151 AromaticContact CE2-CG 3.54Å; F140-F151 HydrophobicContact CE2-CG 3.54Å; F140-F151 HydrophobicContact CZ-CB 3.51Å; F140-F151 HydrophobicContact CZ-CD2 4.33Å; F140-F151 AromaticContact CZ-CG 3.93Å; F140-F151 HydrophobicContact CZ-CG 3.93Å
141D78.9Confident80.7Confident84 Ų8460.1 Ų60.145%0.44929%0.294SS..  trans-70.6157.1170.7-63-43.3000110.9E143 H144 R148 K211D141-E143 PolarHBondContact O-N 3.26Å; D141-H144 PolarHBondContact O-N 3.45Å; D141-H144 VanDerWaalsContact O-N 3.12Å; D141-R148 PolarHBondContact O-NH2 3.5Å; D141-K211 IonicContact OD1-NZ 3.7Å; D141-K211 PolarHBondContact OD1-NZ 3.06Å
142E72Confident80.5Confident173 Ų17364.3 Ų64.381%0.80831%0.312SS*.THydrogen-bonded Turntrans-58.9-29.4-174.1-67.4-167.3168.200113.6H144 I145 R148E142-H144 VanDerWaalsContact C-N 3.32Å; E142-H144 PolarHBondContact O-N 3.37Å; E142-I145 WeakPolarHBondContact O-CG1 3.43Å; E142-R148 VanDerWaalsContact CA-NH2 3.35Å
143E72.8Confident80.2Confident174 Ų17467.9 Ų67.981%0.81334%0.337SS*.THydrogen-bonded Turntrans-74.6-18.9-179.5-60.2176.4-177.200113.5D141 I145D141-E143 PolarHBondContact O-N 3.26Å; E143-I145 PolarHBondContact O-N 3.18Å
144H77.2Confident80.3Confident42 Ų4269 Ų6919%0.19434%0.338CS..  trans-97.154.5-174.2-64.2-43.7000112.9D141 E142 K146 E147 R148D141-H144 PolarHBondContact O-N 3.45Å; D141-H144 VanDerWaalsContact O-N 3.12Å; E142-H144 VanDerWaalsContact C-N 3.32Å; E142-H144 PolarHBondContact O-N 3.37Å; H144-K146 PolarHBondContact O-N 3.01Å; H144-E147 HydrophobicContact CB-CB 4.43Å; H144-R148 WeakPolarHBondContact O-CB 3.41Å; H144-R148 PolarHBondContact O-N 3.07Å; H144-R148 VanDerWaalsContact O-N 3.15Å
145I72.8Confident80.5Confident104 Ų10468 Ų6853%0.53333%0.327SS..Hα-helixtrans-63.4-40.9-176.2-58.7175.7000111.7E142 E143 R148 Q149E142-I145 WeakPolarHBondContact O-CG1 3.43Å; E143-I145 PolarHBondContact O-N 3.18Å; I145-R148 PolarHBondContact O-N 3.27Å; I145-Q149 WeakPolarHBondContact O-CG 3.22Å; I145-Q149 PolarHBondContact O-N 3.14Å
146K76.5Confident80.3Confident171 Ų17172.5 Ų72.574%0.74334%0.344SS*.Hα-helixtrans-66.9-44.3-177.7-70.3-177.8179176.90112.1H144 R148 Q149 K150H144-K146 PolarHBondContact O-N 3.01Å; K146-R148 VanDerWaalsContact C-N 3.32Å; K146-R148 PolarHBondContact O-N 3.22Å; K146-Q149 PolarHBondContact O-N 2.98Å; K146-K150 PolarHBondContact O-N 2.94Å; K146-K150 VanDerWaalsContact O-N 3.11Å
147E80.3Confident80.4Confident41 Ų4178.1 Ų78.119%0.19237%0.372CS..Hα-helixtrans-65-38.1177.4-6786.9162.400111.6N9 Y10 F140 H144 K150 F151N9-E147 HydrophobicContact CB-CG 4.07Å; N9-E147 WeakPolarHBondContact CB-OE1 3.44Å; N9-E147 PolarHBondContact ND2-OE1 3.17Å; Y10-E147 HydrophobicContact CE2-CB 4.19Å; Y10-E147 HydrophobicContact CE2-CG 4.19Å; Y10-E147 PolarHBondContact OH-O 3.49Å; F140-E147 HydrophobicContact CD1-CB 4.15Å; F140-E147 HydrophobicContact CE1-CB 4.02Å; H144-E147 HydrophobicContact CB-CB 4.43Å; E147-K150 PolarHBondContact O-N 3.48Å; E147-F151 PolarHBondContact O-N 2.69Å
148R74.4Confident80.8Confident68 Ų6878.3 Ų78.326%0.25737%0.372SS..Hα-helixtrans-64-42.5175.5-166.8-172.1-49.4-163.5-1.9112.4F140 D141 E142 H144 I145 K146 F151 F152F140-R148 HydrophobicContact CB-CB 4.24Å; F140-R148 HydrophobicContact CB-CG 4.32Å; F140-R148 HydrophobicContact CD2-CB 4.25Å; F140-R148 HydrophobicContact CD2-CG 4.04Å; F140-R148 HydrophobicContact CG-CB 4.11Å; F140-R148 HydrophobicContact CG-CG 4.29Å; D141-R148 PolarHBondContact O-NH2 3.5Å; E142-R148 VanDerWaalsContact CA-NH2 3.35Å; H144-R148 WeakPolarHBondContact O-CB 3.41Å; H144-R148 PolarHBondContact O-N 3.07Å; H144-R148 VanDerWaalsContact O-N 3.15Å; I145-R148 PolarHBondContact O-N 3.27Å; K146-R148 VanDerWaalsContact C-N 3.32Å; K146-R148 PolarHBondContact O-N 3.22Å; R148-F151 WeakPolarHBondContact O-CB 3.43Å; R148-F151 PolarHBondContact O-N 3.4Å; R148-F152 HydrophobicContact CG-CD2 4.42Å; R148-F152 HydrophobicContact CG-CE2 3.96Å; R148-F152 WeakPolarHBondContact O-CD2 3.31Å; R148-F152 PolarHBondContact O-N 2.98Å
149Q75.2Confident81.1Confident125 Ų12577.9 Ų77.958%0.58437%0.37SS*.Hα-helixtrans-60.6-47174.1-74.7174.9-1700111.3I145 K146 F151 F152 S153I145-Q149 WeakPolarHBondContact O-CG 3.22Å; I145-Q149 PolarHBondContact O-N 3.14Å; K146-Q149 PolarHBondContact O-N 2.98Å; Q149-F151 VanDerWaalsContact C-N 3.29Å; Q149-F151 PolarHBondContact O-N 2.83Å; Q149-F152 PolarHBondContact O-N 2.86Å; Q149-F152 VanDerWaalsContact O-N 3.13Å; Q149-S153 PolarHBondContact O-N 3.42Å; Q149-S153 PolarHBondContact O-OG 3.12Å
150K80.8Confident81Confident132 Ų13277.9 Ų77.957%0.57437%0.37SS*.Hα-helixtrans-65.8-30.4178.2-179.5179.1-176.2177.90112.5Y10 K146 E147 S153 I154Y10-K150 WeakPolarHBondContact OH-CB 3.39Å; Y10-K150 WeakPolarHBondContact OH-CD 3.09Å; Y10-K150 WeakPolarHBondContact OH-CG 3.41Å; K146-K150 PolarHBondContact O-N 2.94Å; K146-K150 VanDerWaalsContact O-N 3.11Å; E147-K150 PolarHBondContact O-N 3.48Å; K150-S153 PolarHBondContact O-N 2.92Å; K150-I154 WeakPolarHBondContact O-CG1 3.33Å; K150-I154 PolarHBondContact O-N 3.33Å; K150-I154 VanDerWaalsContact O-N 3.09Å
151F83.8Confident81.4Confident1 Ų179.3 Ų79.30%0.00438%0.383CS..Hα-helixtrans-59.2-47.9169160.1-102.1000112.1Y10 I14 I17 V18 F140 E147 R148 Q149 S153 I154 F155Y10-F151 HydrophobicContact CE1-CB 4.23Å; Y10-F151 PolarHBondContact OH-N 3.02Å; I14-F151 HydrophobicContact CD1-CD2 4.02Å; I14-F151 HydrophobicContact CD1-CE2 4.02Å; I14-F151 HydrophobicContact CG2-CD2 3.54Å; I14-F151 HydrophobicContact CG2-CE2 3.85Å; I17-F151 HydrophobicContact CG2-CZ 4.4Å; V18-F151 HydrophobicContact CG2-CD2 4.47Å; V18-F151 HydrophobicContact CG2-CE2 4.11Å; F140-F151 HydrophobicContact CE2-CB 3.53Å; F140-F151 AromaticContact CE2-CD1 3.87Å; F140-F151 HydrophobicContact CE2-CD1 3.87Å; F140-F151 HydrophobicContact CE2-CD2 4.09Å; F140-F151 AromaticContact CE2-CG 3.54Å; F140-F151 HydrophobicContact CE2-CG 3.54Å; F140-F151 HydrophobicContact CZ-CB 3.51Å; F140-F151 HydrophobicContact CZ-CD2 4.33Å; F140-F151 AromaticContact CZ-CG 3.93Å; F140-F151 HydrophobicContact CZ-CG 3.93Å; E147-F151 PolarHBondContact O-N 2.69Å; R148-F151 WeakPolarHBondContact O-CB 3.43Å; R148-F151 PolarHBondContact O-N 3.4Å; Q149-F151 VanDerWaalsContact C-N 3.29Å; Q149-F151 PolarHBondContact O-N 2.83Å; F151-S153 PolarHBondContact O-N 3.24Å; F151-I154 PolarHBondContact O-N 3.11Å; F151-I154 VanDerWaalsContact O-N 3.08Å; F151-F155 HydrophobicContact CE2-CB 4.49Å; F151-F155 HydrophobicContact CE2-CD2 4.27Å; F151-F155 HydrophobicContact CZ-CB 4.37Å; F151-F155 AromaticContact CZ-CD2 3.89Å; F151-F155 HydrophobicContact CZ-CD2 3.89Å; F151-F155 HydrophobicContact CZ-CG 4.36Å; F151-F155 WeakPolarHBondContact O-CB 3.36Å; F151-F155 PolarHBondContact O-N 3.04Å
152F80.1Confident82.1Confident90 Ų9075.3 Ų75.340%0.39536%0.362SS..Hα-helixtrans-62.4-32.8178.6-75-65.6000112.5R148 Q149 F155 Y156R148-F152 HydrophobicContact CG-CD2 4.42Å; R148-F152 HydrophobicContact CG-CE2 3.96Å; R148-F152 WeakPolarHBondContact O-CD2 3.31Å; R148-F152 PolarHBondContact O-N 2.98Å; Q149-F152 PolarHBondContact O-N 2.86Å; Q149-F152 VanDerWaalsContact O-N 3.13Å; F152-F155 PolarHBondContact O-N 2.97Å; F152-Y156 WeakPolarHBondContact O-CB 3.48Å; F152-Y156 PolarHBondContact O-N 3.43Å
153S82.8Confident83.1Confident79 Ų7967.7 Ų67.755%0.55233%0.327SS*.Hα-helixtrans-64.6-43.5171.3-51.60000112.6Q149 K150 F151 F155 Y156 M157Q149-S153 PolarHBondContact O-N 3.42Å; Q149-S153 PolarHBondContact O-OG 3.12Å; K150-S153 PolarHBondContact O-N 2.92Å; F151-S153 PolarHBondContact O-N 3.24Å; S153-F155 VanDerWaalsContact C-N 3.35Å; S153-Y156 PolarHBondContact O-N 3.46Å; S153-M157 PolarHBondContact O-N 2.96Å
154I86.1Confident84.1Confident55 Ų5561 Ų6128%0.28230%0.299SS..Hα-helixtrans-64.8-42175.9-66.4166.5000110.6V18 K150 F151 Y156 M157 S158V18-I154 HydrophobicContact CG1-CG2 4.04Å; V18-I154 HydrophobicContact CG2-CG2 4.14Å; K150-I154 WeakPolarHBondContact O-CG1 3.33Å; K150-I154 PolarHBondContact O-N 3.33Å; K150-I154 VanDerWaalsContact O-N 3.09Å; F151-I154 PolarHBondContact O-N 3.11Å; F151-I154 VanDerWaalsContact O-N 3.08Å; I154-Y156 PolarHBondContact O-N 3.42Å; I154-M157 HydrophobicContact CG1-CE 4.47Å; I154-M157 WeakPolarHBondContact O-CB 3.24Å; I154-M157 PolarHBondContact O-N 3.18Å; I154-S158 PolarHBondContact O-N 3.04Å; I154-S158 PolarHBondContact O-OG 3.29Å
155F85.6Confident84.9Confident17 Ų1762.2 Ų62.28%0.07531%0.306CS..Hα-helixtrans-59.9-45.7176.6-169.7-96.8000111.3I17 E21 V132 A133 F151 F152 S153 M157 S158 I159I17-F155 HydrophobicContact CG2-CE2 4.48Å; E21-F155 HydrophobicContact CB-CD2 4.17Å; E21-F155 HydrophobicContact CB-CE2 3.63Å; E21-F155 HydrophobicContact CB-CZ 4.18Å; E21-F155 HydrophobicContact CG-CD2 4Å; E21-F155 HydrophobicContact CG-CE1 4.12Å; E21-F155 HydrophobicContact CG-CE2 3.4Å; E21-F155 VanDerWaalsContact CG-CE2 3.4Å; E21-F155 HydrophobicContact CG-CZ 3.47Å; E21-F155 VanDerWaalsContact CG-CZ 3.47Å; E21-F155 VanDerWaalsContact OE2-CZ 3.25Å; E21-F155 WeakPolarHBondContact OE2-CZ 3.33Å; V132-F155 HydrophobicContact CG1-CE2 4.27Å; V132-F155 HydrophobicContact CG1-CZ 4.33Å; A133-F155 HydrophobicContact CB-CE1 4.01Å; A133-F155 HydrophobicContact CB-CZ 4.06Å; F151-F155 HydrophobicContact CE2-CB 4.49Å; F151-F155 HydrophobicContact CE2-CD2 4.27Å; F151-F155 HydrophobicContact CZ-CB 4.37Å; F151-F155 AromaticContact CZ-CD2 3.89Å; F151-F155 HydrophobicContact CZ-CD2 3.89Å; F151-F155 HydrophobicContact CZ-CG 4.36Å; F151-F155 WeakPolarHBondContact O-CB 3.36Å; F151-F155 PolarHBondContact O-N 3.04Å; F152-F155 PolarHBondContact O-N 2.97Å; S153-F155 VanDerWaalsContact C-N 3.35Å; F155-M157 PolarHBondContact O-N 3.02Å; F155-S158 WeakPolarHBondContact CA-OG 3.36Å; F155-S158 PolarHBondContact O-N 3.02Å; F155-S158 PolarHBondContact O-OG 2.88Å; F155-I159 HydrophobicContact CD1-CD1 3.72Å; F155-I159 HydrophobicContact CE1-CD1 3.62Å; F155-I159 HydrophobicContact CE1-CG1 4.46Å; F155-I159 WeakPolarHBondContact O-CG1 3.48Å; F155-I159 PolarHBondContact O-N 2.93Å
156Y84.6Confident86Confident94 Ų9457.3 Ų57.337%0.36928%0.281SS..Hα-helixtrans-61.7-41.4174.7-177.4-100.1000112.7F152 S153 I154 I159 N160 I320F152-Y156 WeakPolarHBondContact O-CB 3.48Å; F152-Y156 PolarHBondContact O-N 3.43Å; S153-Y156 PolarHBondContact O-N 3.46Å; I154-Y156 PolarHBondContact O-N 3.42Å; Y156-I159 PolarHBondContact O-N 3.17Å; Y156-N160 WeakPolarHBondContact CD1-ND2 3.45Å; Y156-N160 WeakPolarHBondContact CE1-ND2 3.47Å; Y156-N160 PolarHBondContact O-N 2.97Å; Y156-N160 VanDerWaalsContact O-N 3.16Å; Y156-N160 PolarHBondContact O-ND2 3.01Å; Y156-I320 WeakPolarHBondContact OH-CG2 3.12Å
157M86.6Confident86.9Confident118 Ų11849.3 Ų49.358%0.58125%0.246SC*.Hα-helixtrans-63.2-40.4174.8-179.7175.448.200111.8S153 I154 F155 I159 N160 A161S153-M157 PolarHBondContact O-N 2.96Å; I154-M157 HydrophobicContact CG1-CE 4.47Å; I154-M157 WeakPolarHBondContact O-CB 3.24Å; I154-M157 PolarHBondContact O-N 3.18Å; F155-M157 PolarHBondContact O-N 3.02Å; M157-I159 VanDerWaalsContact C-N 3.34Å; M157-I159 PolarHBondContact O-N 3.38Å; M157-N160 PolarHBondContact O-N 2.86Å; M157-A161 VanDerWaalsContact O-CB 3.29Å; M157-A161 WeakPolarHBondContact O-CB 3.24Å; M157-A161 PolarHBondContact O-N 3.31Å
158S90.9Very high87.5Confident11 Ų1150.4 Ų50.48%0.07725%0.253CS..Hα-helixtrans-63.9-36.8175.652.60000113.3I154 F155 G162I154-S158 PolarHBondContact O-N 3.04Å; I154-S158 PolarHBondContact O-OG 3.29Å; F155-S158 WeakPolarHBondContact CA-OG 3.36Å; F155-S158 PolarHBondContact O-N 3.02Å; F155-S158 PolarHBondContact O-OG 2.88Å; S158-G162 PolarHBondContact O-N 3.45Å
159I88.8Confident88.6Confident38 Ų3850.3 Ų50.320%0.19526%0.257CS..Hα-helixtrans-61.6-52.1175.7-70.9163.2000110.5E21 R25 F155 Y156 M157 G162 S163E21-I159 HydrophobicContact CG-CG1 3.94Å; R25-I159 HydrophobicContact CG-CB 4.35Å; R25-I159 HydrophobicContact CG-CG1 3.93Å; R25-I159 HydrophobicContact CG-CG2 4.4Å; F155-I159 HydrophobicContact CD1-CD1 3.72Å; F155-I159 HydrophobicContact CE1-CD1 3.62Å; F155-I159 HydrophobicContact CE1-CG1 4.46Å; F155-I159 WeakPolarHBondContact O-CG1 3.48Å; F155-I159 PolarHBondContact O-N 2.93Å; Y156-I159 PolarHBondContact O-N 3.17Å; M157-I159 VanDerWaalsContact C-N 3.34Å; M157-I159 PolarHBondContact O-N 3.38Å; I159-G162 PolarHBondContact O-N 3Å; I159-S163 WeakPolarHBondContact O-CB 3.41Å; I159-S163 PolarHBondContact O-N 3.18Å
160N87.4Confident89.5Confident11 Ų1144.3 Ų44.36%0.05923%0.229CC..Hα-helixtrans-65.8-41.4-178.4-73.5-76.3000111.7Y156 M157 G162 S163 V164 L321Y156-N160 WeakPolarHBondContact CD1-ND2 3.45Å; Y156-N160 WeakPolarHBondContact CE1-ND2 3.47Å; Y156-N160 PolarHBondContact O-N 2.97Å; Y156-N160 VanDerWaalsContact O-N 3.16Å; Y156-N160 PolarHBondContact O-ND2 3.01Å; M157-N160 PolarHBondContact O-N 2.86Å; N160-G162 PolarHBondContact O-N 3.44Å; N160-S163 PolarHBondContact O-N 3.05Å; N160-V164 WeakPolarHBondContact O-CB 3.49Å; N160-V164 VanDerWaalsContact O-CG2 3.3Å; N160-V164 WeakPolarHBondContact O-CG2 3.38Å; N160-V164 PolarHBondContact O-N 3.42Å; N160-L321 HydrophobicContact CB-CD1 4.17Å; N160-L321 HydrophobicContact CB-CD2 3.86Å; N160-L321 HydrophobicContact CB-CG 4.21Å
161A92.3Very high90.2Very high38 Ų3838 Ų3831%0.31420%0.202SC..Hα-helixtrans-61-44.6175.900000112F22 M157 L165F22-A161 HydrophobicContact CD2-CB 4.34Å; F22-A161 HydrophobicContact CE2-CB 4.12Å; M157-A161 VanDerWaalsContact O-CB 3.29Å; M157-A161 WeakPolarHBondContact O-CB 3.24Å; M157-A161 PolarHBondContact O-N 3.31Å; A161-L165 WeakPolarHBondContact O-CB 3.5Å; A161-L165 VanDerWaalsContact O-CG 3.31Å; A161-L165 WeakPolarHBondContact O-CG 3.38Å; A161-L165 PolarHBondContact O-N 3.09Å
162G93.4Very high90.6Very high0 Ų040.8 Ų40.80%022%0.216CC..Hα-helixtrans-61.3-43.7174.900000112.1S158 I159 N160 S166S158-G162 PolarHBondContact O-N 3.45Å; I159-G162 PolarHBondContact O-N 3Å; N160-G162 PolarHBondContact O-N 3.44Å; G162-S166 WeakPolarHBondContact O-CB 3.46Å; G162-S166 PolarHBondContact O-N 3.31Å; G162-S166 PolarHBondContact O-OG 2.97Å
163S92.3Very high91.3Very high12 Ų1238.1 Ų38.18%0.08421%0.206CC..Hα-helixtrans-62.5-49.3177.5-173.20000112.6I159 N160 S166 T167I159-S163 WeakPolarHBondContact O-CB 3.41Å; I159-S163 PolarHBondContact O-N 3.18Å; N160-S163 PolarHBondContact O-N 3.05Å; S163-S166 PolarHBondContact O-N 2.92Å; S163-S166 PolarHBondContact O-OG 3.17Å; S163-T167 WeakPolarHBondContact O-CB 3.3Å; S163-T167 WeakPolarHBondContact O-CG2 3.4Å; S163-T167 PolarHBondContact O-N 3.21Å; S163-T167 PolarHBondContact O-OG1 3.07Å
164V93.6Very high91.8Very high34 Ų3434.4 Ų34.421%0.20618%0.18CC..Hα-helixtrans-60.2-51.5178.1165.50000110.9N160 S166 T167 L168 L314 A317N160-V164 WeakPolarHBondContact O-CB 3.49Å; N160-V164 VanDerWaalsContact O-CG2 3.3Å; N160-V164 WeakPolarHBondContact O-CG2 3.38Å; N160-V164 PolarHBondContact O-N 3.42Å; V164-S166 PolarHBondContact O-N 3.5Å; V164-T167 PolarHBondContact O-OG1 3.25Å; V164-L168 WeakPolarHBondContact O-CB 3.37Å; V164-L168 PolarHBondContact O-N 3.21Å; V164-L168 VanDerWaalsContact O-N 3.11Å; V164-L314 HydrophobicContact CB-CD1 3.77Å; V164-L314 HydrophobicContact CG1-CD1 3.42Å; V164-L314 VanDerWaalsContact CG1-CD1 3.42Å; V164-L314 HydrophobicContact CG2-CD1 3.96Å; V164-L314 WeakPolarHBondContact O-CD1 2.98Å; V164-A317 HydrophobicContact CG2-CB 3.68Å
165L95.6Very high91.8Very high68 Ų6832.5 Ų32.536%0.35617%0.174SC..Hα-helixtrans-66.5-38.8-176.7-69175.2000112.1F22 F26 A161 L168 I169F22-L165 HydrophobicContact CE2-CD1 4Å; F22-L165 HydrophobicContact CZ-CD1 3.83Å; F26-L165 HydrophobicContact CD2-CB 4.1Å; F26-L165 HydrophobicContact CE2-CB 3.95Å; A161-L165 WeakPolarHBondContact O-CB 3.5Å; A161-L165 VanDerWaalsContact O-CG 3.31Å; A161-L165 WeakPolarHBondContact O-CG 3.38Å; A161-L165 PolarHBondContact O-N 3.09Å; L165-L168 PolarHBondContact O-N 3.3Å; L165-I169 HydrophobicContact CB-CD1 4.35Å; L165-I169 VanDerWaalsContact O-CB 3.26Å; L165-I169 WeakPolarHBondContact O-CB 3.31Å; L165-I169 VanDerWaalsContact O-CG1 3.25Å; L165-I169 WeakPolarHBondContact O-CG1 3.23Å; L165-I169 PolarHBondContact O-N 3.08Å
166S95.7Very high91.8Very high0 Ų036.4 Ų36.40%020%0.195CC..Hα-helixtrans-70.5-42.9-179.561.90000113F26 Y29 G30 G162 S163 V164 L168 I169 T170F26-S166 WeakPolarHBondContact O-CB 3.39Å; Y29-S166 VanDerWaalsContact CB-OG 3.26Å; Y29-S166 WeakPolarHBondContact CB-OG 3.45Å; G30-S166 PolarHBondContact N-OG 3.29Å; G162-S166 WeakPolarHBondContact O-CB 3.46Å; G162-S166 PolarHBondContact O-N 3.31Å; G162-S166 PolarHBondContact O-OG 2.97Å; S163-S166 PolarHBondContact O-N 2.92Å; S163-S166 PolarHBondContact O-OG 3.17Å; V164-S166 PolarHBondContact O-N 3.5Å; S166-L168 PolarHBondContact O-N 2.92Å; S166-I169 PolarHBondContact O-N 3.36Å; S166-T170 VanDerWaalsContact O-CB 3.28Å; S166-T170 WeakPolarHBondContact O-CB 3.17Å; S166-T170 PolarHBondContact O-N 2.88Å; S166-T170 PolarHBondContact O-OG1 3.5Å
167T94.3Very high92Very high3 Ų334.5 Ų34.52%0.01819%0.193CC..Hα-helixtrans-68.8-18.9175.753.40000113.4A33 S163 V164 P171 Q313A33-T167 HydrophobicContact CB-CG2 4.24Å; S163-T167 WeakPolarHBondContact O-CB 3.3Å; S163-T167 WeakPolarHBondContact O-CG2 3.4Å; S163-T167 PolarHBondContact O-N 3.21Å; S163-T167 PolarHBondContact O-OG1 3.07Å; V164-T167 PolarHBondContact O-OG1 3.25Å; T167-P171 WeakPolarHBondContact O-CD 3.35Å; T167-P171 WeakPolarHBondContact O-CG 3.3Å; T167-Q313 HydrophobicContact CG2-CB 4.29Å
168L94.3Very high91.8Very high65 Ų6535 Ų3534%0.3419%0.192SC..Hα-helixtrans-84.7-53.5170.5-179.564.6000112.1V164 L165 S166 I172 Q311 L314V164-L168 WeakPolarHBondContact O-CB 3.37Å; V164-L168 PolarHBondContact O-N 3.21Å; V164-L168 VanDerWaalsContact O-N 3.11Å; L165-L168 PolarHBondContact O-N 3.3Å; S166-L168 PolarHBondContact O-N 2.92Å; L168-I172 HydrophobicContact CD1-CD1 4.25Å; L168-I172 HydrophobicContact CG-CD1 4.3Å; L168-I172 VanDerWaalsContact O-CD1 3.29Å; L168-I172 WeakPolarHBondContact O-CD1 3.47Å; L168-I172 VanDerWaalsContact O-CG1 3.31Å; L168-I172 WeakPolarHBondContact O-CG1 3.29Å; L168-Q311 PolarHBondContact O-NE2 3.24Å; L168-L314 HydrophobicContact CB-CD2 4.48Å; L168-L314 HydrophobicContact CD1-CD2 4.29Å
169I95.6Very high91.5Very high65 Ų6536 Ų3633%0.33320%0.199SC..Hα-helixtrans-78.3-42.9-168.2-65.9169.5000112F26 L165 S166 I172 L173F26-I169 HydrophobicContact CE2-CD1 4.22Å; F26-I169 HydrophobicContact CZ-CB 4.26Å; F26-I169 HydrophobicContact CZ-CG2 4.37Å; L165-I169 HydrophobicContact CB-CD1 4.35Å; L165-I169 VanDerWaalsContact O-CB 3.26Å; L165-I169 WeakPolarHBondContact O-CB 3.31Å; L165-I169 VanDerWaalsContact O-CG1 3.25Å; L165-I169 WeakPolarHBondContact O-CG1 3.23Å; L165-I169 PolarHBondContact O-N 3.08Å; S166-I169 PolarHBondContact O-N 3.36Å; I169-I172 WeakPolarHBondContact O-CB 3.18Å; I169-I172 PolarHBondContact O-N 3.02Å; I169-I172 VanDerWaalsContact O-N 3.12Å; I169-L173 HydrophobicContact CG2-CD1 3.88Å; I169-L173 HydrophobicContact CG2-CG 4.09Å; I169-L173 WeakPolarHBondContact O-CG 3.39Å; I169-L173 PolarHBondContact O-N 3.08Å
170T95.9Very high91.2Very high0 Ų040.1 Ų40.10%022%0.215CC..Hα-helixtrans-64.2-42.9-173.9-59.10000112.9G30 V34 S166 I172 L173 R174 A188G30-T170 VanDerWaalsContact O-CG2 3.31Å; G30-T170 WeakPolarHBondContact O-CG2 3.28Å; V34-T170 HydrophobicContact CG1-CG2 3.84Å; V34-T170 HydrophobicContact CG2-CG2 4.28Å; S166-T170 VanDerWaalsContact O-CB 3.28Å; S166-T170 WeakPolarHBondContact O-CB 3.17Å; S166-T170 PolarHBondContact O-N 2.88Å; S166-T170 PolarHBondContact O-OG1 3.5Å; T170-I172 VanDerWaalsContact C-N 3.32Å; T170-I172 PolarHBondContact O-N 3.44Å; T170-L173 PolarHBondContact O-N 3.36Å; T170-R174 PolarHBondContact O-N 3.32Å; T170-A188 HydrophobicContact CG2-CB 3.99Å; T170-A188 WeakPolarHBondContact CG2-O 3.46Å
171P94.3Very high90.3Very high0 Ų042.9 Ų42.90%025%0.246CC..Hα-helixtrans-60.3-35.3170-31.641.1000115V34 T167 R174 G175 K308 D310 Q311V34-P171 HydrophobicContact CG1-CG 4.13Å; T167-P171 WeakPolarHBondContact O-CD 3.35Å; T167-P171 WeakPolarHBondContact O-CG 3.3Å; P171-R174 PolarHBondContact O-N 3.48Å; P171-G175 PolarHBondContact O-N 3.41Å; P171-K308 HydrophobicContact CB-CD 4.4Å; P171-K308 VanDerWaalsContact O-CD 3.23Å; P171-K308 WeakPolarHBondContact O-CD 3.38Å; P171-D310 WeakPolarHBondContact CB-OD2 3.32Å; P171-D310 HydrophobicContact CG-CB 4.28Å; P171-Q311 HydrophobicContact CB-CG 3.51Å; P171-Q311 HydrophobicContact CG-CG 3.91Å
172I93Very high89.7Confident59 Ų5946.5 Ų46.530%0.30326%0.26SS..Hα-helixtrans-62.5-47.4174.5-71.9168.9000109.6L168 I169 T170 R174 G175 D176 Q311L168-I172 HydrophobicContact CD1-CD1 4.25Å; L168-I172 HydrophobicContact CG-CD1 4.3Å; L168-I172 VanDerWaalsContact O-CD1 3.29Å; L168-I172 WeakPolarHBondContact O-CD1 3.47Å; L168-I172 VanDerWaalsContact O-CG1 3.31Å; L168-I172 WeakPolarHBondContact O-CG1 3.29Å; I169-I172 WeakPolarHBondContact O-CB 3.18Å; I169-I172 PolarHBondContact O-N 3.02Å; I169-I172 VanDerWaalsContact O-N 3.12Å; T170-I172 VanDerWaalsContact C-N 3.32Å; T170-I172 PolarHBondContact O-N 3.44Å; I172-R174 VanDerWaalsContact C-N 3.26Å; I172-R174 PolarHBondContact O-N 3.37Å; I172-G175 PolarHBondContact O-N 3.43Å; I172-D176 HydrophobicContact CG2-CB 4.39Å; I172-D176 WeakPolarHBondContact CG2-OD2 3.22Å; I172-D176 WeakPolarHBondContact O-CB 3.35Å; I172-D176 PolarHBondContact O-N 3Å; I172-Q311 VanDerWaalsContact CG1-NE2 3.32Å
173L93.9Very high89.2Confident34 Ų3447.6 Ų47.618%0.17827%0.266CS..Hα-helixtrans-63-32178.2-65.9174.3000113.1I169 T170 L187 V191I169-L173 HydrophobicContact CG2-CD1 3.88Å; I169-L173 HydrophobicContact CG2-CG 4.09Å; I169-L173 WeakPolarHBondContact O-CG 3.39Å; I169-L173 PolarHBondContact O-N 3.08Å; T170-L173 PolarHBondContact O-N 3.36Å; L173-L187 HydrophobicContact CB-CD2 4.37Å; L173-L187 HydrophobicContact CB-CG 4.45Å; L173-L187 HydrophobicContact CD2-CD2 4.08Å; L173-V191 HydrophobicContact CD1-CB 4Å; L173-V191 HydrophobicContact CD1-CG1 4.21Å; L173-V191 HydrophobicContact CD1-CG2 3.67Å
174R93.1Very high89.1Confident1 Ų147.2 Ų47.20%0.00426%0.263CS..Hα-helixtrans-68.1-55.6174.5173.2-161.650.275.2-9.7111.4T170 P171 I172 D183 C184 Y185 A188 D310 D477T170-R174 PolarHBondContact O-N 3.32Å; P171-R174 PolarHBondContact O-N 3.48Å; I172-R174 VanDerWaalsContact C-N 3.26Å; I172-R174 PolarHBondContact O-N 3.37Å; R174-D183 IonicContact NH1-OD2 3.23Å; R174-D183 PolarHBondContact NH1-OD2 2.87Å; R174-D183 VanDerWaalsContact NH1-OD2 3.17Å; R174-D183 CarbonylContact O-C 3.58Å; R174-C184 PolarHBondContact O-N 3Å; R174-Y185 VanDerWaalsContact CD-CE1 3.44Å; R174-Y185 HydrophobicContact CG-CD1 4.07Å; R174-Y185 HydrophobicContact CG-CE1 3.8Å; R174-Y185 HydrophobicContact CG-CE2 4.41Å; R174-Y185 HydrophobicContact CG-CG 4.5Å; R174-A188 HydrophobicContact CB-CB 3.83Å; R174-D310 IonicContact CZ-OD1 2.72Å; R174-D310 IonicContact CZ-OD2 3.65Å; R174-D310 IonicContact NE-OD2 2.73Å; R174-D310 PolarHBondContact NE-OD2 2.9Å; R174-D310 VanDerWaalsContact NH2-CG 3.28Å; R174-D310 IonicContact NH2-OD1 3.19Å; R174-D310 PolarHBondContact NH2-OD1 3.48Å; R174-D310 IonicContact NH2-OD2 3.74Å; R174-D310 PolarHBondContact NH2-OD2 2.82Å; R174-D477 IonicContact NH1-OD1 3.19Å; R174-D477 PolarHBondContact NH1-OD1 3.34Å
175G85.7Confident89Confident15 Ų1546 Ų4616%0.15526%0.255CS..Hα-helixtrans-94-27.4-166.100000116.1P171 I172P171-G175 PolarHBondContact O-N 3.41Å; I172-G175 PolarHBondContact O-N 3.43Å
176D87.2Confident88.9Confident99 Ų9943.3 Ų43.353%0.52924%0.243SC..THydrogen-bonded Turntrans-92.5-14.6-178.5-63.2-30.8000113.1I172 K308I172-D176 HydrophobicContact CG2-CB 4.39Å; I172-D176 WeakPolarHBondContact CG2-OD2 3.22Å; I172-D176 WeakPolarHBondContact O-CB 3.35Å; I172-D176 PolarHBondContact O-N 3Å; D176-K308 VanDerWaalsContact OD1-CE 3.3Å; D176-K308 WeakPolarHBondContact OD1-CE 3.3Å; D176-K308 IonicContact OD1-NZ 3.95Å; D176-K308 PolarHBondContact OD1-NZ 2.94Å; D176-K308 IonicContact OD2-NZ 3.18Å; D176-K308 PolarHBondContact OD2-NZ 3.12Å
177V87.8Confident88.9Confident53 Ų5346.3 Ų46.332%0.32126%0.259SS..SBendtrans-107.3124.2177.2-175.60000108.7C184 L187V177-C184 HydrophobicContact CB-CB 4.34Å; V177-C184 HydrophobicContact CG1-CB 4.38Å; V177-C184 WeakPolarHBondContact O-CB 3.11Å; V177-C184 PolarHBondContact O-N 2.99Å; V177-L187 HydrophobicContact CB-CD2 4.32Å; V177-L187 HydrophobicContact CG1-CD2 4.06Å; V177-L187 HydrophobicContact CG2-CD2 4.35Å
178K83.6Confident88.9Confident130 Ų13046.1 Ų46.157%0.56526%0.258SS*.EExtended strand (participates in β ladder)trans-91.1127.9172.8-62.6-62.5-179.3-177.10110.5D182 D183K178-D182 CarbonylContact C-O 3.5Å; K178-D182 VanDerWaalsContact CA-O 3.32Å; K178-D182 WeakPolarHBondContact CA-O 3.18Å; K178-D183 IonicContact NZ-OD1 2.75Å; K178-D183 PolarHBondContact NZ-OD1 3.3Å
179C83.3Confident89Confident31 Ų3143 Ų4321%0.20924%0.242CC..EExtended strand (participates in β ladder)trans-130.9136.7174.4-61.50000109.1G181 D182 C184C179-G181 PolarHBondContact O-N 3.34Å; C179-G181 VanDerWaalsContact O-N 3.08Å; C179-D182 PolarHBondContact N-O 3.19Å; C179-D182 PolarHBondContact O-N 2.96Å; C179-D182 VanDerWaalsContact O-N 3.11Å; C179-D182 VanDerWaalsContact O-O 3.06Å; C179-C184 HydrophobicContact CB-CB 3.53Å; C179-C184 WeakPolarHBondContact CB-SG 3.47Å; C179-C184 WeakPolarHBondContact SG-CB 3.42Å; C179-C184 CovalentContact SG-SG 2.02Å; C179-C184 PolarHBondContact SG-SG 3.2Å
180F82.7Confident89.1Confident124 Ų12441 Ų4154%0.54424%0.236SC..THydrogen-bonded Turntrans57.323.5177.6-45.8-75.8000114.4I101 P102 A186I101-F180 HydrophobicContact CG2-CE1 4.39Å; I101-F180 HydrophobicContact CG2-CE2 4.23Å; I101-F180 HydrophobicContact CG2-CZ 3.95Å; P102-F180 HydrophobicContact CG-CB 3.92Å; P102-F180 HydrophobicContact CG-CD2 4.18Å; P102-F180 HydrophobicContact CG-CG 4.21Å; F180-A186 HydrophobicContact CE2-CB 4.36Å
181G69.5Low89.2Confident69 Ų6943 Ų4371%0.71125%0.248SC*.THydrogen-bonded Turntrans96.4-13-179.600000115.2C179C179-G181 PolarHBondContact O-N 3.34Å; C179-G181 VanDerWaalsContact O-N 3.08Å
182D78.5Confident89.3Confident114 Ų11443 Ų4361%0.6125%0.248SC*.EExtended strand (participates in β ladder)trans-132.7-175-173.8-72.8-47.3000112.5K178 C179K178-D182 CarbonylContact C-O 3.5Å; K178-D182 VanDerWaalsContact CA-O 3.32Å; K178-D182 WeakPolarHBondContact CA-O 3.18Å; C179-D182 PolarHBondContact N-O 3.19Å; C179-D182 PolarHBondContact O-N 2.96Å; C179-D182 VanDerWaalsContact O-N 3.11Å; C179-D182 VanDerWaalsContact O-O 3.06Å
183D82.6Confident89.5Confident24 Ų2440.5 Ų40.513%0.12824%0.237CC..EExtended strand (participates in β ladder)trans-54.4135.2170.6-90.729.4000112.3R174 K178 Y185R174-D183 IonicContact NH1-OD2 3.23Å; R174-D183 PolarHBondContact NH1-OD2 2.87Å; R174-D183 VanDerWaalsContact NH1-OD2 3.17Å; R174-D183 CarbonylContact O-C 3.58Å; K178-D183 IonicContact NZ-OD1 2.75Å; K178-D183 PolarHBondContact NZ-OD1 3.3Å; D183-Y185 HydrophobicContact CB-CD2 4.46Å; D183-Y185 HydrophobicContact CB-CE2 4.23Å; D183-Y185 PolarHBondContact O-N 2.83Å
184C90.4Very high89.7Confident3 Ų341.6 Ų41.62%0.0225%0.251CS..  trans-89.769.4-167.4-162.90000114R174 V177 C179 A186 L187 A188R174-C184 PolarHBondContact O-N 3Å; V177-C184 HydrophobicContact CB-CB 4.34Å; V177-C184 HydrophobicContact CG1-CB 4.38Å; V177-C184 WeakPolarHBondContact O-CB 3.11Å; V177-C184 PolarHBondContact O-N 2.99Å; C179-C184 HydrophobicContact CB-CB 3.53Å; C179-C184 WeakPolarHBondContact CB-SG 3.47Å; C179-C184 WeakPolarHBondContact SG-CB 3.42Å; C179-C184 CovalentContact SG-SG 2.02Å; C179-C184 PolarHBondContact SG-SG 3.2Å; C184-A186 VanDerWaalsContact C-N 3.29Å; C184-A186 PolarHBondContact O-N 3.28Å; C184-L187 HydrophobicContact CB-CB 4.24Å; C184-L187 PolarHBondContact O-N 2.79Å; C184-L187 WeakPolarHBondContact SG-CB 3.35Å; C184-A188 PolarHBondContact O-N 3.49Å; C184-A188 VanDerWaalsContact O-N 3.1Å
185Y92.7Very high89.9Confident8 Ų843.5 Ų43.53%0.03126%0.261CS..Hα-helixtrans-61.1-34.9173.8-76.2-77.4000113.4L37 Y38 S41 Y42 R174 D183 L187 A188 F189L37-Y185 VanDerWaalsContact C-OH 3.26Å; L37-Y185 WeakPolarHBondContact CB-OH 3.35Å; L37-Y185 PolarHBondContact O-OH 2.94Å; Y38-Y185 VanDerWaalsContact CA-CE1 3.47Å; Y38-Y185 AromaticContact CD2-CD1 3.65Å; Y38-Y185 HydrophobicContact CD2-CD1 3.65Å; Y38-Y185 HydrophobicContact CD2-CD2 4.39Å; Y38-Y185 HydrophobicContact CD2-CE1 4.2Å; Y38-Y185 AromaticContact CD2-CG 3.75Å; Y38-Y185 HydrophobicContact CD2-CG 3.75Å; Y38-Y185 HydrophobicContact CG-CD1 4.18Å; Y38-Y185 HydrophobicContact CG-CE1 4.42Å; S41-Y185 PolarHBondContact OG-OH 2.93Å; Y42-Y185 HydrophobicContact CD2-CD2 4.11Å; Y42-Y185 HydrophobicContact CG-CD2 4.45Å; R174-Y185 VanDerWaalsContact CD-CE1 3.44Å; R174-Y185 HydrophobicContact CG-CD1 4.07Å; R174-Y185 HydrophobicContact CG-CE1 3.8Å; R174-Y185 HydrophobicContact CG-CE2 4.41Å; R174-Y185 HydrophobicContact CG-CG 4.5Å; D183-Y185 HydrophobicContact CB-CD2 4.46Å; D183-Y185 HydrophobicContact CB-CE2 4.23Å; D183-Y185 PolarHBondContact O-N 2.83Å; Y185-L187 VanDerWaalsContact C-N 3.32Å; Y185-L187 PolarHBondContact O-N 3.45Å; Y185-A188 PolarHBondContact O-N 2.96Å; Y185-F189 HydrophobicContact CD1-CE2 4.12Å; Y185-F189 HydrophobicContact CD1-CZ 4.44Å; Y185-F189 WeakPolarHBondContact O-CD2 3.34Å; Y185-F189 PolarHBondContact O-N 3.26Å
186A93.4Very high90.5Very high13 Ų1342.8 Ų42.811%0.10725%0.253CS..Hα-helixtrans-56.9-43.717700000112.4S97 I101 F180 C184 G190S97-A186 PolarHBondContact OG-O 3.1Å; S97-A186 VanDerWaalsContact OG-O 3.06Å; I101-A186 HydrophobicContact CG1-CB 3.88Å; F180-A186 HydrophobicContact CE2-CB 4.36Å; C184-A186 VanDerWaalsContact C-N 3.29Å; C184-A186 PolarHBondContact O-N 3.28Å; A186-G190 WeakPolarHBondContact O-CA 3.48Å; A186-G190 PolarHBondContact O-N 2.88Å
187L94.2Very high91Very high62 Ų6241.3 Ų41.333%0.32525%0.248SC..Hα-helixtrans-72.6-42176.9-178.165000111.6L173 V177 C184 Y185 F189 G190 V191L173-L187 HydrophobicContact CB-CD2 4.37Å; L173-L187 HydrophobicContact CB-CG 4.45Å; L173-L187 HydrophobicContact CD2-CD2 4.08Å; V177-L187 HydrophobicContact CB-CD2 4.32Å; V177-L187 HydrophobicContact CG1-CD2 4.06Å; V177-L187 HydrophobicContact CG2-CD2 4.35Å; C184-L187 HydrophobicContact CB-CB 4.24Å; C184-L187 PolarHBondContact O-N 2.79Å; C184-L187 WeakPolarHBondContact SG-CB 3.35Å; Y185-L187 VanDerWaalsContact C-N 3.32Å; Y185-L187 PolarHBondContact O-N 3.45Å; L187-F189 PolarHBondContact O-N 2.98Å; L187-G190 PolarHBondContact O-N 2.88Å; L187-V191 HydrophobicContact CD1-CG2 3.94Å; L187-V191 HydrophobicContact CG-CG2 4.4Å; L187-V191 PolarHBondContact O-N 3.33Å
188A95.6Very high91.4Very high0 Ų041.9 Ų41.90%025%0.251CS..Hα-helixtrans-58.6-33.8177.500000112.4T170 R174 C184 Y185 P192T170-A188 HydrophobicContact CG2-CB 3.99Å; T170-A188 WeakPolarHBondContact CG2-O 3.46Å; R174-A188 HydrophobicContact CB-CB 3.83Å; C184-A188 PolarHBondContact O-N 3.49Å; C184-A188 VanDerWaalsContact O-N 3.1Å; Y185-A188 PolarHBondContact O-N 2.96Å; A188-P192 WeakPolarHBondContact O-CD 3.28Å; A188-P192 VanDerWaalsContact O-CG 3.23Å; A188-P192 WeakPolarHBondContact O-CG 3.32Å
189F97.1Very high92Very high0 Ų035.7 Ų35.70%022%0.224CC..Hα-helixtrans-87.4-27.8171.1-63.8-50.8000113.9M31 V34 L35 Y38 K96 A100 Y185 L187 A193M31-F189 HydrophobicContact CB-CD1 4.39Å; M31-F189 HydrophobicContact CG-CD1 3.69Å; M31-F189 HydrophobicContact CG-CE1 3.86Å; V34-F189 HydrophobicContact CG2-CD1 4.21Å; V34-F189 HydrophobicContact CG2-CE1 3.52Å; V34-F189 HydrophobicContact CG2-CZ 3.92Å; L35-F189 HydrophobicContact CD1-CZ 4.45Å; Y38-F189 HydrophobicContact CD1-CE2 4.28Å; Y38-F189 HydrophobicContact CD1-CZ 4.24Å; Y38-F189 AromaticContact CD2-CE2 3.49Å; Y38-F189 HydrophobicContact CD2-CE2 3.49Å; Y38-F189 VanDerWaalsContact CD2-CE2 3.49Å; Y38-F189 HydrophobicContact CD2-CZ 4.03Å; Y38-F189 AromaticContact CE2-CE2 3.85Å; Y38-F189 HydrophobicContact CE2-CE2 3.85Å; Y38-F189 AromaticContact CG-CE2 3.69Å; Y38-F189 HydrophobicContact CG-CE2 3.69Å; Y38-F189 AromaticContact CG-CZ 3.74Å; Y38-F189 HydrophobicContact CG-CZ 3.74Å; K96-F189 HydrophobicContact CG-CD1 4.4Å; K96-F189 HydrophobicContact CG-CD2 4.48Å; K96-F189 HydrophobicContact CG-CG 4.28Å; A100-F189 HydrophobicContact CB-CD2 3.72Å; A100-F189 HydrophobicContact CB-CE2 4.15Å; Y185-F189 HydrophobicContact CD1-CE2 4.12Å; Y185-F189 HydrophobicContact CD1-CZ 4.44Å; Y185-F189 WeakPolarHBondContact O-CD2 3.34Å; Y185-F189 PolarHBondContact O-N 3.26Å; L187-F189 PolarHBondContact O-N 2.98Å; F189-A193 PolarHBondContact O-N 3.33Å; F189-A193 VanDerWaalsContact O-N 3.14Å
190G96.7Very high92.7Very high21 Ų2135.2 Ų35.222%0.21622%0.22CC..Hα-helixtrans-70.4-38.1-178.600000113.7S97 A186 L187 A193 A194S97-G190 WeakPolarHBondContact OG-CA 3.42Å; S97-G190 PolarHBondContact OG-N 3.12Å; A186-G190 WeakPolarHBondContact O-CA 3.48Å; A186-G190 PolarHBondContact O-N 2.88Å; L187-G190 PolarHBondContact O-N 2.88Å; G190-A193 WeakPolarHBondContact O-CB 3.37Å; G190-A193 PolarHBondContact O-N 3.39Å; G190-A194 PolarHBondContact O-N 3.03Å
191V97.1Very high93.4Very high42 Ų4231 Ų3126%0.25521%0.208SC..Hα-helixtrans-64.2-48.7176.3170.70000112.1F26 L173 L187 A193 A194 L195F26-V191 HydrophobicContact CE1-CG1 4.19Å; L173-V191 HydrophobicContact CD1-CB 4Å; L173-V191 HydrophobicContact CD1-CG1 4.21Å; L173-V191 HydrophobicContact CD1-CG2 3.67Å; L187-V191 HydrophobicContact CD1-CG2 3.94Å; L187-V191 HydrophobicContact CG-CG2 4.4Å; L187-V191 PolarHBondContact O-N 3.33Å; V191-A193 VanDerWaalsContact C-N 3.3Å; V191-A193 PolarHBondContact O-N 3.3Å; V191-A194 PolarHBondContact O-N 3.18Å; V191-L195 HydrophobicContact CG1-CD1 4.24Å; V191-L195 PolarHBondContact O-N 2.71Å
192P97.3Very high94.6Very high0 Ų029.2 Ų29.20%018%0.183CC..Hα-helixtrans-49.7-47.7165.9-32.838.8000113.2S27 M31 A188 A194 L195 M196S27-P192 VanDerWaalsContact OG-C 3.31Å; S27-P192 WeakPolarHBondContact OG-CB 3.18Å; S27-P192 PolarHBondContact OG-O 3.44Å; M31-P192 HydrophobicContact CB-CB 4.34Å; M31-P192 HydrophobicContact CB-CG 4.43Å; A188-P192 WeakPolarHBondContact O-CD 3.28Å; A188-P192 VanDerWaalsContact O-CG 3.23Å; A188-P192 WeakPolarHBondContact O-CG 3.32Å; P192-A194 PolarHBondContact O-N 3.11Å; P192-L195 PolarHBondContact O-N 3.05Å; P192-M196 PolarHBondContact O-N 3.11Å
193A97.7Very high95.4Very high8 Ų823.9 Ų23.97%0.06615%0.154CC..Hα-helixtrans-58.4-46.7178.900000112.6H93 F189 G190 V191 M196 V197H93-A193 HydrophobicContact CB-CB 3.7Å; F189-A193 PolarHBondContact O-N 3.33Å; F189-A193 VanDerWaalsContact O-N 3.14Å; G190-A193 WeakPolarHBondContact O-CB 3.37Å; G190-A193 PolarHBondContact O-N 3.39Å; V191-A193 VanDerWaalsContact C-N 3.3Å; V191-A193 PolarHBondContact O-N 3.3Å; A193-M196 PolarHBondContact O-N 3.35Å; A193-V197 WeakPolarHBondContact O-CG2 3.4Å; A193-V197 PolarHBondContact O-N 3.43Å
194A97.8Very high96.1Very high56 Ų5626 Ų2646%0.46317%0.165SC..Hα-helixtrans-62.3-42.917700000111.7G190 V191 P192 M196 V197 V198G190-A194 PolarHBondContact O-N 3.03Å; V191-A194 PolarHBondContact O-N 3.18Å; P192-A194 PolarHBondContact O-N 3.11Å; A194-M196 VanDerWaalsContact C-N 3.34Å; A194-M196 PolarHBondContact O-N 3.06Å; A194-V197 WeakPolarHBondContact O-CB 3.44Å; A194-V197 PolarHBondContact O-N 2.9Å; A194-V198 WeakPolarHBondContact O-CG2 3.25Å; A194-V198 PolarHBondContact O-N 3.35Å
195L97.1Very high96.3Very high42 Ų4233.4 Ų33.422%0.2220%0.197CC..Hα-helixtrans-66.5-34.6176.7-75.3173.1000112.6C23 F26 V191 P192 V198 A199C23-L195 WeakPolarHBondContact CB-O 3.39Å; F26-L195 HydrophobicContact CB-CD1 4.21Å; F26-L195 HydrophobicContact CD1-CD1 3.15Å; F26-L195 HydrophobicContact CD2-CD1 4.19Å; F26-L195 HydrophobicContact CE1-CD1 3.44Å; F26-L195 VanDerWaalsContact CE1-CD1 3.44Å; F26-L195 HydrophobicContact CE2-CD1 4.39Å; F26-L195 HydrophobicContact CG-CD1 3.58Å; F26-L195 HydrophobicContact CZ-CD1 4.06Å; V191-L195 HydrophobicContact CG1-CD1 4.24Å; V191-L195 PolarHBondContact O-N 2.71Å; P192-L195 PolarHBondContact O-N 3.05Å; L195-V198 WeakPolarHBondContact O-CB 3.26Å; L195-V198 PolarHBondContact O-N 3.17Å; L195-A199 WeakPolarHBondContact O-CB 3.47Å; L195-A199 PolarHBondContact O-N 2.67Å
196M97.6Very high96.3Very high0 Ų033 Ų330%020%0.196CC..Hα-helixtrans-67.6-36.4173.7-16961.3-140.600112E24 Y89 V90 P192 A193 A194 V198 A199 L200E24-M196 HydrophobicContact CB-SD 4.05Å; E24-M196 HydrophobicContact CG-CE 4.3Å; E24-M196 HydrophobicContact CG-SD 3.8Å; Y89-M196 HydrophobicContact CD1-CE 3.75Å; Y89-M196 HydrophobicContact CD1-CG 4.31Å; Y89-M196 HydrophobicContact CD1-SD 3.66Å; Y89-M196 HydrophobicContact CE1-CE 4.39Å; Y89-M196 HydrophobicContact CE1-SD 3.81Å; Y89-M196 HydrophobicContact CG-CE 4.3Å; Y89-M196 HydrophobicContact CG-CG 4.25Å; Y89-M196 HydrophobicContact CG-SD 4.19Å; V90-M196 HydrophobicContact CG2-CB 4.31Å; V90-M196 HydrophobicContact CG2-CG 3.78Å; P192-M196 PolarHBondContact O-N 3.11Å; A193-M196 PolarHBondContact O-N 3.35Å; A194-M196 VanDerWaalsContact C-N 3.34Å; A194-M196 PolarHBondContact O-N 3.06Å; M196-V198 VanDerWaalsContact C-N 3.35Å; M196-A199 HydrophobicContact CE-CB 4.3Å; M196-A199 WeakPolarHBondContact O-CB 3.29Å; M196-A199 PolarHBondContact O-N 3.46Å; M196-A199 HydrophobicContact SD-CB 4.33Å; M196-L200 PolarHBondContact O-N 3.38Å
197V98.1Very high96.2Very high67 Ų6734.2 Ų34.241%0.40620%0.203SC..Hα-helixtrans-61.8-44.6170.7172.60000110.6V90 A193 A194 L200 A201V90-V197 HydrophobicContact CG1-CG2 3.55Å; V90-V197 HydrophobicContact CG2-CG2 4.15Å; A193-V197 WeakPolarHBondContact O-CG2 3.4Å; A193-V197 PolarHBondContact O-N 3.43Å; A194-V197 WeakPolarHBondContact O-CB 3.44Å; A194-V197 PolarHBondContact O-N 2.9Å; V197-L200 PolarHBondContact O-N 3.1Å; V197-A201 WeakPolarHBondContact O-CB 3.46Å; V197-A201 PolarHBondContact O-N 3.32Å
198V97.4Very high96Very high66 Ų6634.9 Ų34.940%0.423%0.225SC..Hα-helixtrans-60.9-44.3175.3171.60000110.9A194 L195 M196 L200 A201 V202A194-V198 WeakPolarHBondContact O-CG2 3.25Å; A194-V198 PolarHBondContact O-N 3.35Å; L195-V198 WeakPolarHBondContact O-CB 3.26Å; L195-V198 PolarHBondContact O-N 3.17Å; M196-V198 VanDerWaalsContact C-N 3.35Å; V198-L200 PolarHBondContact O-N 2.96Å; V198-A201 PolarHBondContact O-N 3.29Å; V198-V202 HydrophobicContact CG1-CG2 4.09Å; V198-V202 WeakPolarHBondContact O-CB 3.48Å; V198-V202 VanDerWaalsContact O-CG2 3.24Å; V198-V202 WeakPolarHBondContact O-CG2 3.4Å; V198-V202 PolarHBondContact O-N 3.34Å
199A96.4Very high95.8Very high0 Ų038 Ų380%024%0.241CC..Hα-helixtrans-55.5-5117700000111.2N20 C23 L195 M196 V202 F203N20-A199 PolarHBondContact OD1-O 2.94Å; C23-A199 HydrophobicContact CB-CB 3.67Å; L195-A199 WeakPolarHBondContact O-CB 3.47Å; L195-A199 PolarHBondContact O-N 2.67Å; M196-A199 HydrophobicContact CE-CB 4.3Å; M196-A199 WeakPolarHBondContact O-CB 3.29Å; M196-A199 PolarHBondContact O-N 3.46Å; M196-A199 HydrophobicContact SD-CB 4.33Å; A199-V202 PolarHBondContact O-N 3.42Å; A199-F203 WeakPolarHBondContact O-CB 3.39Å; A199-F203 PolarHBondContact O-N 2.95Å
200L96.9Very high95.5Very high21 Ų2138.9 Ų38.911%0.1124%0.244CC..Hα-helixtrans-60.9-46.9177.8176.757.6000112.2I87 V90 M196 V197 V198 F203 I204I87-L200 HydrophobicContact CG1-CD2 3.72Å; V90-L200 HydrophobicContact CG2-CB 4.44Å; V90-L200 HydrophobicContact CG2-CD2 4.09Å; M196-L200 PolarHBondContact O-N 3.38Å; V197-L200 PolarHBondContact O-N 3.1Å; V198-L200 PolarHBondContact O-N 2.96Å; L200-F203 PolarHBondContact O-N 3.41Å; L200-I204 HydrophobicContact CD1-CD1 3.65Å; L200-I204 HydrophobicContact CD1-CG1 4.06Å; L200-I204 HydrophobicContact CG-CD1 3.87Å; L200-I204 VanDerWaalsContact O-CG1 3.31Å; L200-I204 WeakPolarHBondContact O-CG1 3.39Å; L200-I204 PolarHBondContact O-N 3.43Å
201A97.3Very high95.1Very high36 Ų3642.7 Ų42.730%0.29825%0.254SS..Hα-helixtrans-61.5-48.1-179.900000111.5V197 V198 F203 I204 F205V197-A201 WeakPolarHBondContact O-CB 3.46Å; V197-A201 PolarHBondContact O-N 3.32Å; V198-A201 PolarHBondContact O-N 3.29Å; A201-F203 VanDerWaalsContact C-N 3.33Å; A201-F203 PolarHBondContact O-N 3.18Å; A201-I204 PolarHBondContact O-N 3.33Å; A201-F205 HydrophobicContact CB-CE2 4.16Å; A201-F205 WeakPolarHBondContact O-CD2 3.36Å; A201-F205 WeakPolarHBondContact O-CG 3.46Å; A201-F205 PolarHBondContact O-N 3.31Å
202V95.8Very high94.7Very high31 Ų3145.9 Ų45.919%0.18827%0.265CS..Hα-helixtrans-58.9-45.1176.41710000110.7F16 V19 V198 A199 I204 F205 G206F16-V202 HydrophobicContact CB-CG1 4.16Å; F16-V202 HydrophobicContact CD1-CG1 3.91Å; F16-V202 VanDerWaalsContact CD1-O 3.28Å; F16-V202 WeakPolarHBondContact CD1-O 3.32Å; V19-V202 HydrophobicContact CB-CG1 4.04Å; V19-V202 HydrophobicContact CG1-CG1 3.94Å; V19-V202 HydrophobicContact CG1-CG2 4.22Å; V198-V202 HydrophobicContact CG1-CG2 4.09Å; V198-V202 WeakPolarHBondContact O-CB 3.48Å; V198-V202 VanDerWaalsContact O-CG2 3.24Å; V198-V202 WeakPolarHBondContact O-CG2 3.4Å; V198-V202 PolarHBondContact O-N 3.34Å; A199-V202 PolarHBondContact O-N 3.42Å; V202-I204 PolarHBondContact O-N 3.06Å; V202-F205 PolarHBondContact O-N 2.92Å; V202-G206 PolarHBondContact O-N 2.73Å
203F95.3Very high93.8Very high1 Ų148 Ų480%0.00428%0.278CS..Hα-helixtrans-61.3-44177.9-170.2-100000111.8I17 N20 F79 I82 I83 F135 A199 L200 A201 G206 Y210I17-F203 HydrophobicContact CG1-CE2 4.28Å; N20-F203 HydrophobicContact CB-CB 4.27Å; N20-F203 HydrophobicContact CB-CD2 4.33Å; F79-F203 AromaticContact CD2-CE1 3.7Å; F79-F203 HydrophobicContact CD2-CE1 3.7Å; F79-F203 AromaticContact CD2-CZ 3.97Å; F79-F203 HydrophobicContact CD2-CZ 3.97Å; F79-F203 HydrophobicContact CE2-CD1 4.37Å; F79-F203 AromaticContact CE2-CE1 3.69Å; F79-F203 HydrophobicContact CE2-CE1 3.69Å; F79-F203 HydrophobicContact CE2-CZ 4.27Å; I82-F203 HydrophobicContact CB-CE1 3.99Å; I82-F203 HydrophobicContact CB-CZ 4.11Å; I82-F203 HydrophobicContact CD1-CE2 4.45Å; I82-F203 HydrophobicContact CD1-CZ 3.83Å; I82-F203 HydrophobicContact CG2-CD1 3.94Å; I82-F203 HydrophobicContact CG2-CE1 3.54Å; I82-F203 HydrophobicContact CG2-CE2 4.22Å; I82-F203 HydrophobicContact CG2-CG 4.44Å; I82-F203 HydrophobicContact CG2-CZ 3.7Å; I83-F203 HydrophobicContact CG1-CD1 4.05Å; I83-F203 HydrophobicContact CG1-CE1 4.09Å; F135-F203 AromaticContact CD1-CE2 3.91Å; F135-F203 HydrophobicContact CD1-CE2 3.91Å; F135-F203 AromaticContact CD1-CZ 3.79Å; F135-F203 HydrophobicContact CD1-CZ 3.79Å; F135-F203 AromaticContact CE1-CE2 3.83Å; F135-F203 HydrophobicContact CE1-CE2 3.83Å; F135-F203 AromaticContact CE1-CZ 3.55Å; F135-F203 HydrophobicContact CE1-CZ 3.55Å; F135-F203 HydrophobicContact CZ-CZ 4.34Å; A199-F203 WeakPolarHBondContact O-CB 3.39Å; A199-F203 PolarHBondContact O-N 2.95Å; L200-F203 PolarHBondContact O-N 3.41Å; A201-F203 VanDerWaalsContact C-N 3.33Å; A201-F203 PolarHBondContact O-N 3.18Å; F203-G206 PolarHBondContact O-N 3.27Å; F203-Y210 HydrophobicContact CD2-CE2 4.35Å; F203-Y210 HydrophobicContact CE1-CE2 4.37Å; F203-Y210 HydrophobicContact CE2-CE2 4.16Å; F203-Y210 HydrophobicContact CZ-CE2 4.17Å; F203-Y210 WeakPolarHBondContact O-CE2 3.36Å; F203-Y210 PolarHBondContact O-OH 3.37Å
204I95.8Very high92.9Very high69 Ų6952.5 Ų52.535%0.35431%0.306SS..Hα-helixtrans-65.1-39.3177.5-69.3169.6000111.8I83 L200 A201 V202 G206 S207I83-I204 HydrophobicContact CD1-CG1 4.09Å; I83-I204 HydrophobicContact CG1-CG1 4.28Å; L200-I204 HydrophobicContact CD1-CD1 3.65Å; L200-I204 HydrophobicContact CD1-CG1 4.06Å; L200-I204 HydrophobicContact CG-CD1 3.87Å; L200-I204 VanDerWaalsContact O-CG1 3.31Å; L200-I204 WeakPolarHBondContact O-CG1 3.39Å; L200-I204 PolarHBondContact O-N 3.43Å; A201-I204 PolarHBondContact O-N 3.33Å; V202-I204 PolarHBondContact O-N 3.06Å; I204-G206 PolarHBondContact O-N 2.52Å; I204-S207 WeakPolarHBondContact O-CB 3.46Å; I204-S207 PolarHBondContact O-N 3.32Å; I204-S207 PolarHBondContact O-OG 3.04Å
205F95.1Very high92Very high159 Ų15952.9 Ų52.970%0.69730%0.304SS*.Hα-helixtrans-60.5-33.6177.1-73-50.5000112.6F16 A201 V202 S207F16-F205 HydrophobicContact CD1-CB 4.47Å; F16-F205 HydrophobicContact CE1-CB 4.16Å; A201-F205 HydrophobicContact CB-CE2 4.16Å; A201-F205 WeakPolarHBondContact O-CD2 3.36Å; A201-F205 WeakPolarHBondContact O-CG 3.46Å; A201-F205 PolarHBondContact O-N 3.31Å; V202-F205 PolarHBondContact O-N 2.92Å; F205-S207 PolarHBondContact O-N 3.23Å
206G91.9Very high90.7Very high0 Ų058 Ų580%033%0.327CS..G310 helixtrans-72-6.1173.300000115V202 F203 I204 G208 M209 Y210V202-G206 PolarHBondContact O-N 2.73Å; F203-G206 PolarHBondContact O-N 3.27Å; I204-G206 PolarHBondContact O-N 2.52Å; G206-G208 VanDerWaalsContact C-N 3.28Å; G206-G208 PolarHBondContact O-N 3.08Å; G206-G208 VanDerWaalsContact O-N 3.12Å; G206-M209 WeakPolarHBondContact O-CA 3.48Å; G206-M209 WeakPolarHBondContact O-CB 3.37Å; G206-M209 PolarHBondContact O-N 2.98Å; G206-Y210 WeakPolarHBondContact O-CD2 3.48Å; G206-Y210 WeakPolarHBondContact O-CE2 3.37Å; G206-Y210 PolarHBondContact O-N 2.74Å
207S92.4Very high89.5Confident38 Ų3859.7 Ų59.727%0.26634%0.344SS..G310 helixtrans-58.6-30.5-169.264.60000115.7I204 F205 M209 K212I204-S207 WeakPolarHBondContact O-CB 3.46Å; I204-S207 PolarHBondContact O-N 3.32Å; I204-S207 PolarHBondContact O-OG 3.04Å; F205-S207 PolarHBondContact O-N 3.23Å; S207-M209 PolarHBondContact O-N 2.97Å; S207-K212 WeakPolarHBondContact O-CE 3.48Å; S207-K212 PolarHBondContact O-NZ 2.82Å
208G90.6Very high88.4Confident76 Ų7659.6 Ų59.678%0.78434%0.341SS*.G310 helixtrans-75-12.4176.100000113.8G206G206-G208 VanDerWaalsContact C-N 3.28Å; G206-G208 PolarHBondContact O-N 3.08Å; G206-G208 VanDerWaalsContact O-N 3.12Å
209M89.9Confident87.3Confident66 Ų6658.4 Ų58.433%0.32533%0.334SS..THydrogen-bonded Turntrans-110-11.5-173.1-55.9-179.163.300113.2K3 T12 F16 G206 S207K3-M209 HydrophobicContact CB-CE 4.03Å; T12-M209 VanDerWaalsContact CB-CE 3.42Å; T12-M209 HydrophobicContact CG2-CE 3.61Å; F16-M209 HydrophobicContact CE2-SD 3.87Å; F16-M209 HydrophobicContact CZ-SD 4.43Å; G206-M209 WeakPolarHBondContact O-CA 3.48Å; G206-M209 WeakPolarHBondContact O-CB 3.37Å; G206-M209 PolarHBondContact O-N 2.98Å; S207-M209 PolarHBondContact O-N 2.97Å
210Y92.1Very high86.4Confident17 Ų1761 Ų617%0.06735%0.348CS..  trans-79.1141.9-178.3-58.5-46.1000113.5F16 I17 F79 F135 Q139 F203 G206 K212F16-Y210 HydrophobicContact CB-CE1 4.45Å; F16-Y210 VanDerWaalsContact CB-OH 3.25Å; F16-Y210 WeakPolarHBondContact CB-OH 3.35Å; I17-Y210 HydrophobicContact CD1-CD1 4.24Å; I17-Y210 HydrophobicContact CD1-CE1 3.9Å; I17-Y210 HydrophobicContact CG1-CE1 3.86Å; F79-Y210 AromaticContact CD2-CD2 3.85Å; F79-Y210 HydrophobicContact CD2-CD2 3.85Å; F79-Y210 HydrophobicContact CD2-CE2 4.35Å; F79-Y210 AromaticContact CE2-CD2 3.53Å; F79-Y210 HydrophobicContact CE2-CD2 3.53Å; F79-Y210 AromaticContact CE2-CE2 3.81Å; F79-Y210 HydrophobicContact CE2-CE2 3.81Å; F135-Y210 AromaticContact CE1-CD1 3.9Å; F135-Y210 HydrophobicContact CE1-CD1 3.9Å; F135-Y210 AromaticContact CE1-CD2 3.8Å; F135-Y210 HydrophobicContact CE1-CD2 3.8Å; F135-Y210 HydrophobicContact CE1-CE1 4.3Å; F135-Y210 HydrophobicContact CE1-CE2 4.17Å; F135-Y210 AromaticContact CE1-CG 3.68Å; F135-Y210 HydrophobicContact CE1-CG 3.68Å; F135-Y210 HydrophobicContact CZ-CD1 4.25Å; F135-Y210 AromaticContact CZ-CD2 3.77Å; F135-Y210 HydrophobicContact CZ-CD2 3.77Å; F135-Y210 AromaticContact CZ-CG 3.62Å; F135-Y210 HydrophobicContact CZ-CG 3.62Å; Q139-Y210 VanDerWaalsContact OE1-CA 3.27Å; F203-Y210 HydrophobicContact CD2-CE2 4.35Å; F203-Y210 HydrophobicContact CE1-CE2 4.37Å; F203-Y210 HydrophobicContact CE2-CE2 4.16Å; F203-Y210 HydrophobicContact CZ-CE2 4.17Å; F203-Y210 WeakPolarHBondContact O-CE2 3.36Å; F203-Y210 PolarHBondContact O-OH 3.37Å; G206-Y210 WeakPolarHBondContact O-CD2 3.48Å; G206-Y210 WeakPolarHBondContact O-CE2 3.37Å; G206-Y210 PolarHBondContact O-N 2.74Å; Y210-K212 PolarHBondContact O-N 3.33Å
211K87.6Confident85.6Confident101 Ų10160.7 Ų60.744%0.43935%0.35SS..  trans-76115.2161.2-168.7171178-178.30108.2Q139 D141Q139-K211 PolarHBondContact NE2-O 3.28Å; Q139-K211 VanDerWaalsContact NE2-O 3.13Å; D141-K211 IonicContact OD1-NZ 3.7Å; D141-K211 PolarHBondContact OD1-NZ 3.06Å
212K89.2Confident84.9Confident110 Ų11063.2 Ų63.248%0.47836%0.355SS..  trans-107.2105.6-177.4-63.2170.4-169.3165.40109F79 S207 Y210F79-K212 HydrophobicContact CB-CG 4.34Å; F79-K212 HydrophobicContact CD1-CD 4.03Å; F79-K212 HydrophobicContact CE1-CD 4.38Å; F79-K212 HydrophobicContact CG-CD 4.27Å; F79-K212 HydrophobicContact CG-CG 4.27Å; S207-K212 WeakPolarHBondContact O-CE 3.48Å; S207-K212 PolarHBondContact O-NZ 2.82Å; Y210-K212 PolarHBondContact O-N 3.33Å
213T77.6Confident84.3Confident45 Ų4562.2 Ų62.228%0.27635%0.349SS..PPolyproline II helixtrans-80.5145.4177.553.20000111.2
214P78.8Confident83.9Confident101 Ų10165.8 Ų65.866%0.65637%0.373SS*.PPolyproline II helixtrans-66.7159.7173.329.3-34.3000111.4
215P79.2Confident83.6Confident65 Ų6569.5 Ų69.542%0.42239%0.387SS..PPolyproline II helixtrans-59.3136.2174-18.530.7000111.4D73D73-P215 VanDerWaalsContact O-CB 3.26Å; D73-P215 WeakPolarHBondContact O-CB 3.42Å
216Q69.6Low83.2Confident150 Ų15061.9 Ų61.970%0.70135%0.354SS*.  trans-95.54.1-173.4-69.2-177.1-14.600114D73D73-Q216 PolarHBondContact O-N 3.16Å
217G72.1Confident83Confident34 Ų3463.6 Ų63.635%0.35136%0.362SS..  trans87.2164.9179.600000113.4D73 V219D73-G217 PolarHBondContact O-N 3.5Å; G217-V219 PolarHBondContact O-N 2.82Å; G217-V219 VanDerWaalsContact O-N 3.14Å
218N74.3Confident82.8Confident66 Ų6663.6 Ų63.635%0.35337%0.369SS..  trans-88.280.9-170.5-166.6-6.5000112.9S74 L220 G221 E222S74-N218 WeakPolarHBondContact OG-CB 3.45Å; N218-L220 VanDerWaalsContact C-N 3.27Å; N218-L220 PolarHBondContact O-N 3.23Å; N218-L220 PolarHBondContact OD1-N 3.22Å; N218-G221 PolarHBondContact O-N 2.86Å; N218-G221 VanDerWaalsContact O-N 3.11Å; N218-G221 PolarHBondContact OD1-N 3.12Å; N218-E222 PolarHBondContact O-N 3.28Å
219V75.9Confident82.8Confident40 Ų4062.7 Ų62.724%0.24234%0.343CS..Hα-helixtrans-55.3-42.1176.2-179.50000111.4G217 G221 E222 V223 V608G217-V219 PolarHBondContact O-N 2.82Å; G217-V219 VanDerWaalsContact O-N 3.14Å; V219-G221 VanDerWaalsContact C-N 3.34Å; V219-G221 PolarHBondContact O-N 3.23Å; V219-E222 PolarHBondContact O-N 3.12Å; V219-V223 VanDerWaalsContact O-CG2 3.32Å; V219-V223 WeakPolarHBondContact O-CG2 3.46Å; V219-V223 PolarHBondContact O-N 3.14Å; V219-V608 HydrophobicContact CG1-CG2 4.14Å
220L76.9Confident82.7Confident55 Ų5559.6 Ų59.629%0.28833%0.328SS..Hα-helixtrans-63.1-41.5178.3-17665.6000111.7I66 V70 N218 E222 V223 C224 V608I66-L220 HydrophobicContact CG2-CD2 4Å; V70-L220 HydrophobicContact CG2-CD2 4.06Å; N218-L220 VanDerWaalsContact C-N 3.27Å; N218-L220 PolarHBondContact O-N 3.23Å; N218-L220 PolarHBondContact OD1-N 3.22Å; L220-E222 VanDerWaalsContact C-N 3.34Å; L220-V223 PolarHBondContact O-N 2.95Å; L220-C224 WeakPolarHBondContact O-CB 3.35Å; L220-C224 PolarHBondContact O-N 2.99Å; L220-C224 PolarHBondContact O-SG 3.02Å; L220-C224 VanDerWaalsContact O-SG 3.34Å; L220-V608 HydrophobicContact CD1-CG1 4.04Å; L220-V608 HydrophobicContact CD1-CG2 4.43Å
221G80.5Confident82.4Confident15 Ų1563 Ų6316%0.15535%0.346CS..Hα-helixtrans-63.7-38.3175.900000112.8N218 V219 K225N218-G221 PolarHBondContact O-N 2.86Å; N218-G221 VanDerWaalsContact O-N 3.11Å; N218-G221 PolarHBondContact OD1-N 3.12Å; V219-G221 VanDerWaalsContact C-N 3.34Å; V219-G221 PolarHBondContact O-N 3.23Å; G221-K225 WeakPolarHBondContact O-CB 3.47Å; G221-K225 WeakPolarHBondContact O-CG 3.31Å; G221-K225 PolarHBondContact O-N 3.41Å
222E81.5Confident82.4Confident89 Ų8964.9 Ų64.942%0.41635%0.354SS..Hα-helixtrans-65.7-45.1175.6-168.6175.6-176.700111.8N218 V219 L220 C224 K225 C226 L259N218-E222 PolarHBondContact O-N 3.28Å; V219-E222 PolarHBondContact O-N 3.12Å; L220-E222 VanDerWaalsContact C-N 3.34Å; E222-C224 PolarHBondContact O-N 3.48Å; E222-K225 PolarHBondContact O-N 2.94Å; E222-C226 WeakPolarHBondContact O-CB 3.25Å; E222-C226 PolarHBondContact O-N 3.02Å; E222-L259 HydrophobicContact CG-CD2 4.11Å
223V84.4Confident82.3Confident10 Ų1061 Ų616%0.06134%0.339CS..Hα-helixtrans-57.6-49.7174.3172.60000111V219 L220 K225 C226 I227 I263 M605V219-V223 VanDerWaalsContact O-CG2 3.32Å; V219-V223 WeakPolarHBondContact O-CG2 3.46Å; V219-V223 PolarHBondContact O-N 3.14Å; L220-V223 PolarHBondContact O-N 2.95Å; V223-K225 PolarHBondContact O-N 3.3Å; V223-C226 PolarHBondContact O-N 3.48Å; V223-I227 HydrophobicContact CG1-CD1 3.81Å; V223-I227 WeakPolarHBondContact O-CG1 2.97Å; V223-I227 PolarHBondContact O-N 2.83Å; V223-I263 HydrophobicContact CG1-CD1 4.39Å; V223-I263 HydrophobicContact CG1-CG1 4.22Å; V223-I263 HydrophobicContact CG1-CG2 4.43Å; V223-I263 HydrophobicContact CG2-CD1 4.42Å; V223-I263 HydrophobicContact CG2-CG1 4.19Å; V223-M605 HydrophobicContact CG2-CE 3.81Å; V223-M605 HydrophobicContact CG2-SD 4.1Å
224C86.3Confident82.5Confident76 Ų7665 Ų6551%0.51435%0.349SS..Hα-helixtrans-62.1-41.6179-72.50000112.6L220 E222 G228L220-C224 WeakPolarHBondContact O-CB 3.35Å; L220-C224 PolarHBondContact O-N 2.99Å; L220-C224 PolarHBondContact O-SG 3.02Å; L220-C224 VanDerWaalsContact O-SG 3.34Å; E222-C224 PolarHBondContact O-N 3.48Å; C224-G228 PolarHBondContact O-N 3.02Å
225K88.7Confident82.7Confident146 Ų14670.2 Ų70.264%0.63536%0.356SS*.Hα-helixtrans-66.9-38.5176.6-74.3172.4-176.6176.40112.2G221 E222 V223 F229 Y255G221-K225 WeakPolarHBondContact O-CB 3.47Å; G221-K225 WeakPolarHBondContact O-CG 3.31Å; G221-K225 PolarHBondContact O-N 3.41Å; E222-K225 PolarHBondContact O-N 2.94Å; V223-K225 PolarHBondContact O-N 3.3Å; K225-F229 VanDerWaalsContact O-CB 3.24Å; K225-F229 WeakPolarHBondContact O-CB 3.5Å; K225-F229 PolarHBondContact O-N 3.37Å; K225-Y255 WeakPolarHBondContact CB-OH 3.36Å
226C87.4Confident82.7Confident0 Ų071.9 Ų71.90%036%0.361CS..Hα-helixtrans-64.1-47.6175.7-176.50000111.1E222 V223 F229 A230 Y255 I263E222-C226 WeakPolarHBondContact O-CB 3.25Å; E222-C226 PolarHBondContact O-N 3.02Å; V223-C226 PolarHBondContact O-N 3.48Å; C226-F229 PolarHBondContact O-N 3.29Å; C226-A230 PolarHBondContact O-N 3.2Å; C226-Y255 HydrophobicContact CB-CD1 4.13Å; C226-Y255 HydrophobicContact CB-CD2 4.18Å; C226-Y255 HydrophobicContact CB-CE1 4.1Å; C226-Y255 HydrophobicContact CB-CE2 4.15Å; C226-Y255 HydrophobicContact CB-CG 4.16Å; C226-I263 HydrophobicContact CB-CD1 3.69Å
227I87.8Confident82.7Confident35 Ų3566 Ų6618%0.17934%0.337CS..Hα-helixtrans-61.6-48.1176.5-68.4168.9000110.9V223 F229 A230 I231 W247 L248 I263 L267V223-I227 HydrophobicContact CG1-CD1 3.81Å; V223-I227 WeakPolarHBondContact O-CG1 2.97Å; V223-I227 PolarHBondContact O-N 2.83Å; I227-F229 VanDerWaalsContact C-N 3.33Å; I227-F229 PolarHBondContact O-N 3.4Å; I227-A230 PolarHBondContact O-N 3.49Å; I227-I231 HydrophobicContact CG2-CD1 3.77Å; I227-I231 HydrophobicContact CG2-CG1 4.47Å; I227-I231 WeakPolarHBondContact O-CG1 3.41Å; I227-I231 PolarHBondContact O-N 3.22Å; I227-W247 HydrophobicContact CG2-CH2 4.06Å; I227-W247 HydrophobicContact CG2-CZ3 4.22Å; I227-L248 HydrophobicContact CG1-CD1 4.06Å; I227-I263 HydrophobicContact CD1-CG2 4.05Å; I227-I263 HydrophobicContact CG1-CG2 3.98Å; I227-L267 HydrophobicContact CD1-CD1 4.44Å; I227-L267 HydrophobicContact CD1-CD2 4.26Å
228G88.9Confident82Confident39 Ų3969.1 Ų69.140%0.40235%0.353SS..Hα-helixtrans-61.7-39.7178.800000112.9C224 I231 K232C224-G228 PolarHBondContact O-N 3.02Å; G228-I231 PolarHBondContact O-N 3.43Å; G228-K232 VanDerWaalsContact O-CB 3.32Å; G228-K232 WeakPolarHBondContact O-CB 3.25Å; G228-K232 PolarHBondContact O-N 3.02Å
229F89.4Confident81.1Confident57 Ų5775 Ų7525%0.2538%0.376CS..Hα-helixtrans-64.2-45.6174.1-177.3-92.8000111.7K225 C226 I227 I231 K232 N233 A251 K254 Y255K225-F229 VanDerWaalsContact O-CB 3.24Å; K225-F229 WeakPolarHBondContact O-CB 3.5Å; K225-F229 PolarHBondContact O-N 3.37Å; C226-F229 PolarHBondContact O-N 3.29Å; I227-F229 VanDerWaalsContact C-N 3.33Å; I227-F229 PolarHBondContact O-N 3.4Å; F229-I231 VanDerWaalsContact C-N 3.35Å; F229-I231 PolarHBondContact O-N 3.45Å; F229-K232 PolarHBondContact O-N 2.95Å; F229-N233 HydrophobicContact CE1-CB 4.47Å; F229-N233 VanDerWaalsContact O-CB 3.27Å; F229-N233 WeakPolarHBondContact O-CB 3.31Å; F229-N233 PolarHBondContact O-N 3.23Å; F229-A251 HydrophobicContact CD1-CB 4.29Å; F229-K254 HydrophobicContact CD1-CB 4.18Å; F229-K254 HydrophobicContact CD2-CD 3.94Å; F229-K254 HydrophobicContact CE1-CB 3.66Å; F229-K254 HydrophobicContact CE2-CB 4.3Å; F229-K254 HydrophobicContact CE2-CD 3.79Å; F229-K254 HydrophobicContact CG-CD 4.38Å; F229-K254 HydrophobicContact CZ-CB 3.72Å; F229-K254 HydrophobicContact CZ-CD 4.11Å; F229-Y255 HydrophobicContact CB-CE2 3.88Å; F229-Y255 HydrophobicContact CD1-CD2 4.29Å; F229-Y255 HydrophobicContact CD1-CE2 4.09Å; F229-Y255 HydrophobicContact CG-CE2 4.02Å
230A87.6Confident80.3Confident0 Ų078.5 Ų78.50%039%0.393CS..Hα-helixtrans-58.7-44.4176.400000112.3C226 I227 R234 W247 L248 W250 A251C226-A230 PolarHBondContact O-N 3.2Å; I227-A230 PolarHBondContact O-N 3.49Å; A230-R234 VanDerWaalsContact O-CB 3.23Å; A230-R234 WeakPolarHBondContact O-CB 3.37Å; A230-R234 PolarHBondContact O-N 3.08Å; A230-W247 HydrophobicContact CB-CE3 4.45Å; A230-W247 HydrophobicContact CB-CZ3 4.35Å; A230-L248 HydrophobicContact CB-CD1 3.86Å; A230-W250 HydrophobicContact CB-CB 4.45Å; A230-A251 HydrophobicContact CB-CB 3.98Å
231I87.7Confident79.4Confident88 Ų8880 Ų8045%0.45142%0.422SS..Hα-helixtrans-65.2-46.5178.8-66.9168.3000110.7I227 G228 F229 R234 W235 W247I227-I231 HydrophobicContact CG2-CD1 3.77Å; I227-I231 HydrophobicContact CG2-CG1 4.47Å; I227-I231 WeakPolarHBondContact O-CG1 3.41Å; I227-I231 PolarHBondContact O-N 3.22Å; G228-I231 PolarHBondContact O-N 3.43Å; F229-I231 VanDerWaalsContact C-N 3.35Å; F229-I231 PolarHBondContact O-N 3.45Å; I231-R234 PolarHBondContact O-N 3.02Å; I231-W235 PolarHBondContact O-N 3.2Å; I231-W247 HydrophobicContact CD1-CZ3 4.47Å; I231-W247 HydrophobicContact CG1-CE3 4.4Å; I231-W247 HydrophobicContact CG1-CZ3 3.99Å
232K87.4Confident78.6Confident141 Ų14185.1 Ų85.161%0.61345%0.445SS*.Hα-helixtrans-61-45.8178.1-176.4179.5179.7-179.70111.5G228 F229 W235 N236G228-K232 VanDerWaalsContact O-CB 3.32Å; G228-K232 WeakPolarHBondContact O-CB 3.25Å; G228-K232 PolarHBondContact O-N 3.02Å; F229-K232 PolarHBondContact O-N 2.95Å; K232-W235 PolarHBondContact O-N 2.74Å; K232-N236 WeakPolarHBondContact O-CB 3.29Å; K232-N236 PolarHBondContact O-N 3.02Å
233N85.4Confident77.9Confident28 Ų2890.8 Ų90.815%0.1547%0.468CS..Hα-helixtrans-67.7-41.2-179.4-159.830.8000110.9F229 W235 N236 S237 W250 D253F229-N233 HydrophobicContact CE1-CB 4.47Å; F229-N233 VanDerWaalsContact O-CB 3.27Å; F229-N233 WeakPolarHBondContact O-CB 3.31Å; F229-N233 PolarHBondContact O-N 3.23Å; N233-W235 VanDerWaalsContact C-N 3.33Å; N233-W235 PolarHBondContact O-N 2.97Å; N233-N236 PolarHBondContact O-N 3.46Å; N233-S237 VanDerWaalsContact O-CB 3.25Å; N233-S237 WeakPolarHBondContact O-CB 3.32Å; N233-S237 PolarHBondContact O-N 2.95Å; N233-S237 PolarHBondContact O-OG 2.75Å; N233-S237 PolarHBondContact OD1-OG 2.78Å; N233-W250 HydrophobicContact CB-CB 4.3Å; N233-W250 PolarHBondContact ND2-O 3.48Å; N233-D253 PolarHBondContact ND2-OD2 3.39Å
234R83.4Confident77.4Confident130 Ų13094.7 Ų94.749%0.49148%0.482SS..Hα-helixtrans-58-43172.3-177.6179.9-179.6-167.60.3112.4A230 I231 S238 W247 W250A230-R234 VanDerWaalsContact O-CB 3.23Å; A230-R234 WeakPolarHBondContact O-CB 3.37Å; A230-R234 PolarHBondContact O-N 3.08Å; I231-R234 PolarHBondContact O-N 3.02Å; R234-S238 WeakPolarHBondContact O-CB 3.4Å; R234-S238 PolarHBondContact O-N 3.35Å; R234-W247 VanDerWaalsContact NH1-CB 3.32Å; R234-W250 HydrophobicContact CB-CB 4.44Å; R234-W250 HydrophobicContact CB-CD2 4.27Å; R234-W250 HydrophobicContact CB-CG 3.95Å
235W82.1Confident76.9Confident211 Ų211101.2 Ų101.280%0.79950%0.501SS*.Hα-helixtrans-68.3-40.9179.5-164-65.7000112I231 K232 N233I231-W235 PolarHBondContact O-N 3.2Å; K232-W235 PolarHBondContact O-N 2.74Å; N233-W235 VanDerWaalsContact C-N 3.33Å; N233-W235 PolarHBondContact O-N 2.97Å
236N79.3Confident76.6Confident99 Ų9997.2 Ų97.253%0.52949%0.485SS..Hα-helixtrans-72.9-40.4-179.8-73.2-10.1000112.8K232 N233K232-N236 WeakPolarHBondContact O-CB 3.29Å; K232-N236 PolarHBondContact O-N 3.02Å; N233-N236 PolarHBondContact O-N 3.46Å
237S69.8Low76.5Confident27 Ų27100.8 Ų100.819%0.18950%0.499CS..Hα-helixtrans-91.3-1.3-176.9-58.80000113.9N233 K239 D240N233-S237 VanDerWaalsContact O-CB 3.25Å; N233-S237 WeakPolarHBondContact O-CB 3.32Å; N233-S237 PolarHBondContact O-N 2.95Å; N233-S237 PolarHBondContact O-OG 2.75Å; N233-S237 PolarHBondContact OD1-OG 2.78Å; S237-K239 PolarHBondContact O-N 3.19Å; S237-D240 PolarHBondContact O-N 2.73Å
238S56.8Low76.4Confident99 Ų9999.1 Ų99.169%0.69249%0.49SS*.THydrogen-bonded Turntrans-60.1-9.2169.8-174.30000113.1R234R234-S238 WeakPolarHBondContact O-CB 3.4Å; R234-S238 PolarHBondContact O-N 3.35Å
239K56Low76.3Confident191 Ų19198 Ų9883%0.8347%0.474SS*.THydrogen-bonded Turntrans-87-21.1172.7-67.1-176.7177.5-178.70113.7S237S237-K239 PolarHBondContact O-N 3.19Å
240D58.4Low76Confident112 Ų11296.3 Ų96.360%0.59947%0.467SS*.SBendtrans-106.7123.6177.7-71.3-34.7000109.2S237 L242S237-D240 PolarHBondContact O-N 2.73Å; D240-L242 PolarHBondContact O-N 2.72Å
241G58.3Low76Confident88 Ų8896.3 Ų96.391%0.90747%0.467SS*.  trans-6322.7-16400000119.4K243G241-K243 PolarHBondContact O-N 2.72Å
242L63.2Low75.8Confident122 Ų12295 Ų9564%0.63946%0.459SS*.  trans-77102.9175.9-78.5157.5000111.2D240 R244 W250D240-L242 PolarHBondContact O-N 2.72Å; L242-R244 PolarHBondContact O-N 2.97Å; L242-W250 HydrophobicContact CB-CH2 4.3Å; L242-W250 VanDerWaalsContact O-CH2 3.23Å; L242-W250 WeakPolarHBondContact O-CH2 3.14Å; L242-W250 WeakPolarHBondContact O-CZ2 3.22Å
243K67.3Low75.6Confident208 Ų20893.1 Ų93.190%0.90446%0.455SS*.  trans-86.7108172.5-69.1-172.6179.7179.50110.9G241G241-K243 PolarHBondContact O-N 2.72Å
244R73.6Confident75.6Confident91 Ų9198.2 Ų98.234%0.34348%0.476SS..  trans-81.8151.6168.2-59.2-74-172.5154.24.8110.9L242 D249 W250 E252 D253L242-R244 PolarHBondContact O-N 2.97Å; R244-D249 HydrophobicContact CB-CB 3.97Å; R244-D249 HydrophobicContact CG-CB 4.3Å; R244-W250 HydrophobicContact CG-CD2 4.17Å; R244-W250 HydrophobicContact CG-CG 4.5Å; R244-W250 HydrophobicContact CG-CZ2 4.2Å; R244-E252 IonicContact CZ-OE2 3.45Å; R244-E252 IonicContact NH1-OE2 3.8Å; R244-E252 PolarHBondContact NH1-OE2 3.04Å; R244-D253 IonicContact NH2-OD1 3.14Å; R244-D253 PolarHBondContact NH2-OD1 3.27Å
245K77.4Confident75.9Confident213 Ų21393.6 Ų93.693%0.92646%0.459SS*.SBendtrans-69.9-37.6-177.3-72-176.6-178.7177.60112.9
246H82.4Confident76.1Confident62 Ų6287.4 Ų87.429%0.28745%0.446SS..SBendtrans-125148.3175.6-169.6-90.8000110.8L248 D249H246-L248 WeakPolarHBondContact ND1-CB 3.43Å; H246-L248 PolarHBondContact ND1-N 2.89Å; H246-L248 VanDerWaalsContact ND1-N 3.12Å; H246-L248 PolarHBondContact O-N 3.22Å; H246-D249 WeakPolarHBondContact CB-OD2 3.3Å; H246-D249 PolarHBondContact N-OD2 3.49Å; H246-D249 VanDerWaalsContact O-CB 3.32Å; H246-D249 WeakPolarHBondContact O-CB 3.39Å; H246-D249 PolarHBondContact O-N 3.45Å; H246-D249 VanDerWaalsContact O-N 3.09Å
247W84.4Confident76.4Confident76 Ų7688.5 Ų88.529%0.28845%0.446SS..G310 helixtrans-66.9-21.9-176.867.2-94.5000114I227 A230 I231 R234 D249 W250 L267I227-W247 HydrophobicContact CG2-CH2 4.06Å; I227-W247 HydrophobicContact CG2-CZ3 4.22Å; A230-W247 HydrophobicContact CB-CE3 4.45Å; A230-W247 HydrophobicContact CB-CZ3 4.35Å; I231-W247 HydrophobicContact CD1-CZ3 4.47Å; I231-W247 HydrophobicContact CG1-CE3 4.4Å; I231-W247 HydrophobicContact CG1-CZ3 3.99Å; R234-W247 VanDerWaalsContact NH1-CB 3.32Å; W247-D249 VanDerWaalsContact C-N 3.32Å; W247-W250 VanDerWaalsContact O-CD1 3.23Å; W247-L267 HydrophobicContact CH2-CD1 3.93Å; W247-L267 HydrophobicContact CZ2-CD1 3.71Å
248L86.6Confident77.1Confident0 Ų092.8 Ų92.80%046%0.458CS..G310 helixtrans-79.7-14.1176.2-159.572.6000112.9I227 A230 H246 W250 A251 I260 I263 K264I227-L248 HydrophobicContact CG1-CD1 4.06Å; A230-L248 HydrophobicContact CB-CD1 3.86Å; H246-L248 WeakPolarHBondContact ND1-CB 3.43Å; H246-L248 PolarHBondContact ND1-N 2.89Å; H246-L248 VanDerWaalsContact ND1-N 3.12Å; H246-L248 PolarHBondContact O-N 3.22Å; L248-W250 PolarHBondContact O-N 3.09Å; L248-W250 VanDerWaalsContact O-N 3.16Å; L248-A251 WeakPolarHBondContact O-CB 3.11Å; L248-A251 PolarHBondContact O-N 3.43Å; L248-I260 HydrophobicContact CB-CG2 4.39Å; L248-I260 HydrophobicContact CD2-CG2 3.99Å; L248-I260 WeakPolarHBondContact CD2-O 3.28Å; L248-I260 HydrophobicContact CG-CG2 4.07Å; L248-I263 HydrophobicContact CD1-CG2 4.44Å; L248-I263 HydrophobicContact CD2-CB 3.73Å; L248-I263 HydrophobicContact CD2-CG2 3.49Å; L248-I263 VanDerWaalsContact CD2-CG2 3.49Å; L248-K264 HydrophobicContact CB-CG 4.41Å; L248-K264 HydrophobicContact CD2-CG 3.84Å
249D86.2Confident78.5Confident14 Ų1488.9 Ų88.98%0.07543%0.429CS..G310 helixtrans-68.6-14.1178.8-58.2-17.7000111.9R244 H246 W247 A251 E252 K264R244-D249 HydrophobicContact CB-CB 3.97Å; R244-D249 HydrophobicContact CG-CB 4.3Å; H246-D249 WeakPolarHBondContact CB-OD2 3.3Å; H246-D249 PolarHBondContact N-OD2 3.49Å; H246-D249 VanDerWaalsContact O-CB 3.32Å; H246-D249 WeakPolarHBondContact O-CB 3.39Å; H246-D249 PolarHBondContact O-N 3.45Å; H246-D249 VanDerWaalsContact O-N 3.09Å; W247-D249 VanDerWaalsContact C-N 3.32Å; D249-A251 PolarHBondContact O-N 3.21Å; D249-E252 VanDerWaalsContact O-CB 3.3Å; D249-E252 WeakPolarHBondContact O-CB 3.46Å; D249-E252 VanDerWaalsContact O-CG 3.27Å; D249-E252 WeakPolarHBondContact O-CG 3.41Å; D249-E252 PolarHBondContact O-N 3.14Å; D249-K264 WeakPolarHBondContact OD1-CE 3.46Å; D249-K264 IonicContact OD1-NZ 2.67Å; D249-K264 PolarHBondContact OD1-NZ 3.16Å
250W82.6Confident79.9Confident23 Ų2379.8 Ų79.89%0.08739%0.389CS..G310 helixtrans-67.2-7170.8-68.293000113.3A230 N233 R234 L242 R244 W247 L248A230-W250 HydrophobicContact CB-CB 4.45Å; N233-W250 HydrophobicContact CB-CB 4.3Å; N233-W250 PolarHBondContact ND2-O 3.48Å; R234-W250 HydrophobicContact CB-CB 4.44Å; R234-W250 HydrophobicContact CB-CD2 4.27Å; R234-W250 HydrophobicContact CB-CG 3.95Å; L242-W250 HydrophobicContact CB-CH2 4.3Å; L242-W250 VanDerWaalsContact O-CH2 3.23Å; L242-W250 WeakPolarHBondContact O-CH2 3.14Å; L242-W250 WeakPolarHBondContact O-CZ2 3.22Å; R244-W250 HydrophobicContact CG-CD2 4.17Å; R244-W250 HydrophobicContact CG-CG 4.5Å; R244-W250 HydrophobicContact CG-CZ2 4.2Å; W247-W250 VanDerWaalsContact O-CD1 3.23Å; L248-W250 PolarHBondContact O-N 3.09Å; L248-W250 VanDerWaalsContact O-N 3.16Å
251A87Confident81.3Confident0 Ų076.9 Ų76.90%037%0.372CS..G310 helixtrans-88.8-8169.500000114.2F229 A230 L248 D249 D253 K254 Y255 I260F229-A251 HydrophobicContact CD1-CB 4.29Å; A230-A251 HydrophobicContact CB-CB 3.98Å; L248-A251 WeakPolarHBondContact O-CB 3.11Å; L248-A251 PolarHBondContact O-N 3.43Å; D249-A251 PolarHBondContact O-N 3.21Å; A251-D253 PolarHBondContact O-N 3.44Å; A251-D253 VanDerWaalsContact O-N 3.09Å; A251-K254 PolarHBondContact O-N 2.89Å; A251-Y255 HydrophobicContact CB-CD2 4.03Å; A251-Y255 PolarHBondContact O-N 3.26Å; A251-I260 HydrophobicContact CB-CD1 3.91Å; A251-I260 HydrophobicContact CB-CG1 4.17Å
252E84.9Confident82.7Confident61 Ų6173.5 Ų73.529%0.28533%0.333SS..THydrogen-bonded Turntrans-58.7-25.2-178.4-74.2179.1179.600112.9R244 D249 K254 K257 I260R244-E252 IonicContact CZ-OE2 3.45Å; R244-E252 IonicContact NH1-OE2 3.8Å; R244-E252 PolarHBondContact NH1-OE2 3.04Å; D249-E252 VanDerWaalsContact O-CB 3.3Å; D249-E252 WeakPolarHBondContact O-CB 3.46Å; D249-E252 VanDerWaalsContact O-CG 3.27Å; D249-E252 WeakPolarHBondContact O-CG 3.41Å; D249-E252 PolarHBondContact O-N 3.14Å; E252-K254 PolarHBondContact O-N 3.23Å; E252-K257 HydrophobicContact CG-CG 4.48Å; E252-I260 HydrophobicContact CB-CD1 4.22Å; E252-I260 HydrophobicContact CG-CD1 3.65Å
253D82.5Confident83.9Confident101 Ų10167.7 Ų67.754%0.5430%0.303SS..THydrogen-bonded Turntrans-68.2-16.6179.5-53.1-26.1000113N233 R244 A251N233-D253 PolarHBondContact ND2-OD2 3.39Å; R244-D253 IonicContact NH2-OD1 3.14Å; R244-D253 PolarHBondContact NH2-OD1 3.27Å; A251-D253 PolarHBondContact O-N 3.44Å; A251-D253 VanDerWaalsContact O-N 3.09Å
254K86.4Confident85Confident135 Ų13558.6 Ų58.659%0.58726%0.263SS*.THydrogen-bonded Turntrans-133.8-25.8-175-176.3170.7180174.50114.6F229 A251 E252F229-K254 HydrophobicContact CD1-CB 4.18Å; F229-K254 HydrophobicContact CD2-CD 3.94Å; F229-K254 HydrophobicContact CE1-CB 3.66Å; F229-K254 HydrophobicContact CE2-CB 4.3Å; F229-K254 HydrophobicContact CE2-CD 3.79Å; F229-K254 HydrophobicContact CG-CD 4.38Å; F229-K254 HydrophobicContact CZ-CB 3.72Å; F229-K254 HydrophobicContact CZ-CD 4.11Å; A251-K254 PolarHBondContact O-N 2.89Å; E252-K254 PolarHBondContact O-N 3.23Å
255Y88Confident85.7Confident33 Ų3354.9 Ų54.913%0.12925%0.25CC..SBendtrans-120.5147.6-172.9-66.3-86.9000111.5K225 C226 F229 A251 L259K225-Y255 WeakPolarHBondContact CB-OH 3.36Å; C226-Y255 HydrophobicContact CB-CD1 4.13Å; C226-Y255 HydrophobicContact CB-CD2 4.18Å; C226-Y255 HydrophobicContact CB-CE1 4.1Å; C226-Y255 HydrophobicContact CB-CE2 4.15Å; C226-Y255 HydrophobicContact CB-CG 4.16Å; F229-Y255 HydrophobicContact CB-CE2 3.88Å; F229-Y255 HydrophobicContact CD1-CD2 4.29Å; F229-Y255 HydrophobicContact CD1-CE2 4.09Å; F229-Y255 HydrophobicContact CG-CE2 4.02Å; A251-Y255 HydrophobicContact CB-CD2 4.03Å; A251-Y255 PolarHBondContact O-N 3.26Å; Y255-L259 HydrophobicContact CD1-CD2 3.83Å; Y255-L259 HydrophobicContact CG-CD2 4.46Å
256P87.3Confident86.2Confident80 Ų8044.9 Ų44.952%0.51921%0.206SC..  trans-65.1142.6-17824.9-31.9000111.3R258 L259 I260P256-R258 PolarHBondContact O-N 3.47Å; P256-R258 VanDerWaalsContact O-N 3.17Å; P256-L259 HydrophobicContact CG-CB 3.84Å; P256-L259 WeakPolarHBondContact O-CB 3.4Å; P256-L259 PolarHBondContact O-N 2.78Å; P256-I260 PolarHBondContact O-N 3.32Å
257K85.3Confident86.5Confident122 Ų12244 Ų4453%0.5320%0.203SC..Hα-helixtrans-55.2-37-178.8-71.1179-177.4166.50112.6E252 I260 Q261 Y672E252-K257 HydrophobicContact CG-CG 4.48Å; K257-I260 PolarHBondContact O-N 2.99Å; K257-Q261 WeakPolarHBondContact O-CG 3.14Å; K257-Q261 PolarHBondContact O-N 2.92Å; K257-Y672 HydrophobicContact CB-CE1 4.31Å
258R85.3Confident86.8Confident117 Ų11745.8 Ų45.844%0.44221%0.21SC..Hα-helixtrans-56.7-52.1175.5178.9178.2170.5176.2-2.2111.7P256 I260 Q261 E262 Y672P256-R258 PolarHBondContact O-N 3.47Å; P256-R258 VanDerWaalsContact O-N 3.17Å; R258-I260 VanDerWaalsContact C-N 3.29Å; R258-I260 PolarHBondContact O-N 2.88Å; R258-Q261 PolarHBondContact O-N 3.12Å; R258-Q261 VanDerWaalsContact O-N 3.15Å; R258-E262 HydrophobicContact CG-CG 4.42Å; R258-E262 IonicContact CZ-OE1 2.91Å; R258-E262 IonicContact NE-OE1 2.76Å; R258-E262 PolarHBondContact NE-OE1 2.99Å; R258-E262 IonicContact NH2-OE1 2.6Å; R258-E262 WeakPolarHBondContact O-CG 3.29Å; R258-E262 PolarHBondContact O-N 2.02Å; R258-Y672 HydrophobicContact CB-CG 4.33Å
259L85.1Confident87.1Confident17 Ų1745.8 Ų45.89%0.08921%0.21CC..Hα-helixtrans-59.3-42.4179-179.469.9000111E222 Y255 P256 Q261 E262 I263 M605E222-L259 HydrophobicContact CG-CD2 4.11Å; Y255-L259 HydrophobicContact CD1-CD2 3.83Å; Y255-L259 HydrophobicContact CG-CD2 4.46Å; P256-L259 HydrophobicContact CG-CB 3.84Å; P256-L259 WeakPolarHBondContact O-CB 3.4Å; P256-L259 PolarHBondContact O-N 2.78Å; L259-Q261 VanDerWaalsContact C-N 3.34Å; L259-Q261 PolarHBondContact O-N 3.42Å; L259-E262 PolarHBondContact O-N 3.08Å; L259-I263 HydrophobicContact CD1-CD1 4.35Å; L259-I263 HydrophobicContact CG-CD1 3.97Å; L259-I263 VanDerWaalsContact O-CG1 3.24Å; L259-I263 WeakPolarHBondContact O-CG1 3.48Å; L259-I263 PolarHBondContact O-N 3.32Å; L259-M605 HydrophobicContact CD1-CE 3.35Å
260I86.4Confident87.4Confident0 Ų047.8 Ų47.80%022%0.221CC..Hα-helixtrans-61.1-42.3177.8-64.6171.2000111.2L248 A251 E252 P256 K257 R258 K264L248-I260 HydrophobicContact CB-CG2 4.39Å; L248-I260 HydrophobicContact CD2-CG2 3.99Å; L248-I260 WeakPolarHBondContact CD2-O 3.28Å; L248-I260 HydrophobicContact CG-CG2 4.07Å; A251-I260 HydrophobicContact CB-CD1 3.91Å; A251-I260 HydrophobicContact CB-CG1 4.17Å; E252-I260 HydrophobicContact CB-CD1 4.22Å; E252-I260 HydrophobicContact CG-CD1 3.65Å; P256-I260 PolarHBondContact O-N 3.32Å; K257-I260 PolarHBondContact O-N 2.99Å; R258-I260 VanDerWaalsContact C-N 3.29Å; R258-I260 PolarHBondContact O-N 2.88Å; I260-K264 WeakPolarHBondContact O-CG 3.47Å; I260-K264 PolarHBondContact O-N 3.47Å
261Q87.8Confident87.8Confident52 Ų5250.4 Ų50.424%0.24324%0.239CC..Hα-helixtrans-69.7-40.7176.7-64.3-62.4-22.500112.5K257 R258 L259 I263 K264 M265 L668 Y672K257-Q261 WeakPolarHBondContact O-CG 3.14Å; K257-Q261 PolarHBondContact O-N 2.92Å; R258-Q261 PolarHBondContact O-N 3.12Å; R258-Q261 VanDerWaalsContact O-N 3.15Å; L259-Q261 VanDerWaalsContact C-N 3.34Å; L259-Q261 PolarHBondContact O-N 3.42Å; Q261-I263 VanDerWaalsContact C-N 3.32Å; Q261-I263 PolarHBondContact O-N 2.99Å; Q261-K264 WeakPolarHBondContact O-CB 3.23Å; Q261-K264 PolarHBondContact O-N 3.43Å; Q261-K264 VanDerWaalsContact O-N 3.16Å; Q261-M265 PolarHBondContact O-N 3.49Å; Q261-L668 HydrophobicContact CB-CD1 4.23Å; Q261-L668 HydrophobicContact CB-CD2 4Å; Q261-Y672 HydrophobicContact CB-CE2 4.42Å; Q261-Y672 HydrophobicContact CG-CE2 4.03Å
262E87.6Confident88.1Confident16 Ų1650.7 Ų50.78%0.07524%0.241CC..Hα-helixtrans-58.7-44174.1-70.1179.7177.800110.6R258 L259 K264 M265 V266 P602 S604 M605 L668R258-E262 HydrophobicContact CG-CG 4.42Å; R258-E262 IonicContact CZ-OE1 2.91Å; R258-E262 IonicContact NE-OE1 2.76Å; R258-E262 PolarHBondContact NE-OE1 2.99Å; R258-E262 IonicContact NH2-OE1 2.6Å; R258-E262 WeakPolarHBondContact O-CG 3.29Å; R258-E262 PolarHBondContact O-N 2.02Å; L259-E262 PolarHBondContact O-N 3.08Å; E262-K264 PolarHBondContact O-N 2.88Å; E262-M265 WeakPolarHBondContact O-CB 3.44Å; E262-M265 PolarHBondContact O-N 2.89Å; E262-V266 WeakPolarHBondContact O-CG2 3.1Å; E262-V266 PolarHBondContact O-N 3.46Å; E262-P602 HydrophobicContact CB-CB 4.05Å; E262-P602 HydrophobicContact CB-CG 3.81Å; E262-P602 HydrophobicContact CG-CB 3.81Å; E262-P602 HydrophobicContact CG-CG 4.01Å; E262-S604 VanDerWaalsContact CD-OG 3.27Å; E262-S604 PolarHBondContact OE2-OG 2.82Å; E262-M605 HydrophobicContact CB-CE 3.92Å; E262-M605 HydrophobicContact CB-SD 4.06Å; E262-L668 HydrophobicContact CG-CD2 4.36Å
263I88.8Confident88.6Confident1 Ų148.3 Ų48.31%0.00523%0.229CC..Hα-helixtrans-63.5-40.6175-65.3169.1000111.5V223 C226 I227 L248 L259 Q261 M265 V266 L267 M605V223-I263 HydrophobicContact CG1-CD1 4.39Å; V223-I263 HydrophobicContact CG1-CG1 4.22Å; V223-I263 HydrophobicContact CG1-CG2 4.43Å; V223-I263 HydrophobicContact CG2-CD1 4.42Å; V223-I263 HydrophobicContact CG2-CG1 4.19Å; C226-I263 HydrophobicContact CB-CD1 3.69Å; I227-I263 HydrophobicContact CD1-CG2 4.05Å; I227-I263 HydrophobicContact CG1-CG2 3.98Å; L248-I263 HydrophobicContact CD1-CG2 4.44Å; L248-I263 HydrophobicContact CD2-CB 3.73Å; L248-I263 HydrophobicContact CD2-CG2 3.49Å; L248-I263 VanDerWaalsContact CD2-CG2 3.49Å; L259-I263 HydrophobicContact CD1-CD1 4.35Å; L259-I263 HydrophobicContact CG-CD1 3.97Å; L259-I263 VanDerWaalsContact O-CG1 3.24Å; L259-I263 WeakPolarHBondContact O-CG1 3.48Å; L259-I263 PolarHBondContact O-N 3.32Å; Q261-I263 VanDerWaalsContact C-N 3.32Å; Q261-I263 PolarHBondContact O-N 2.99Å; I263-M265 VanDerWaalsContact C-N 3.29Å; I263-M265 PolarHBondContact O-N 3.36Å; I263-V266 PolarHBondContact O-N 2.95Å; I263-L267 HydrophobicContact CG2-CD1 3.77Å; I263-L267 HydrophobicContact CG2-CG 4.09Å; I263-L267 WeakPolarHBondContact O-CB 3.39Å; I263-L267 VanDerWaalsContact O-CG 3.3Å; I263-L267 WeakPolarHBondContact O-CG 3.28Å; I263-L267 PolarHBondContact O-N 2.89Å; I263-M605 HydrophobicContact CG1-CE 3.84Å; I263-M605 HydrophobicContact CG1-SD 4.25Å
264K89.4Confident89.2Confident17 Ų1749.3 Ų49.37%0.07423%0.233CC..Hα-helixtrans-59.7-40.2174.9-73.6172-169.4168.40111.9L248 D249 I260 Q261 E262 R268L248-K264 HydrophobicContact CB-CG 4.41Å; L248-K264 HydrophobicContact CD2-CG 3.84Å; D249-K264 WeakPolarHBondContact OD1-CE 3.46Å; D249-K264 IonicContact OD1-NZ 2.67Å; D249-K264 PolarHBondContact OD1-NZ 3.16Å; I260-K264 WeakPolarHBondContact O-CG 3.47Å; I260-K264 PolarHBondContact O-N 3.47Å; Q261-K264 WeakPolarHBondContact O-CB 3.23Å; Q261-K264 PolarHBondContact O-N 3.43Å; Q261-K264 VanDerWaalsContact O-N 3.16Å; E262-K264 PolarHBondContact O-N 2.88Å; K264-R268 WeakPolarHBondContact O-CG 3.4Å; K264-R268 PolarHBondContact O-N 2.95Å; K264-R268 VanDerWaalsContact O-N 3.1Å
265M87.8Confident89.7Confident12 Ų1243.5 Ų43.56%0.05921%0.209CC..Hα-helixtrans-62.2-50.4175.9-70.2178.861.500111Q261 E262 I263 L267 R268 V269 P602 V663 P665 L668Q261-M265 PolarHBondContact O-N 3.49Å; E262-M265 WeakPolarHBondContact O-CB 3.44Å; E262-M265 PolarHBondContact O-N 2.89Å; I263-M265 VanDerWaalsContact C-N 3.29Å; I263-M265 PolarHBondContact O-N 3.36Å; M265-L267 VanDerWaalsContact C-N 3.34Å; M265-L267 PolarHBondContact O-N 3.27Å; M265-R268 WeakPolarHBondContact O-CB 3.38Å; M265-R268 PolarHBondContact O-N 3.02Å; M265-V269 PolarHBondContact O-N 3.02Å; M265-P602 HydrophobicContact CB-CG 4.24Å; M265-P602 HydrophobicContact CE-CG 4.35Å; M265-P602 HydrophobicContact SD-CG 4.2Å; M265-V663 HydrophobicContact CE-CB 3.93Å; M265-V663 HydrophobicContact CE-CG1 3.57Å; M265-V663 HydrophobicContact CG-CB 4.44Å; M265-V663 HydrophobicContact CG-CG1 3.97Å; M265-V663 HydrophobicContact SD-CG1 3.71Å; M265-P665 HydrophobicContact CE-CB 4.13Å; M265-P665 HydrophobicContact CE-CG 3.86Å; M265-L668 HydrophobicContact CG-CD2 4.45Å; M265-L668 HydrophobicContact SD-CB 4.46Å; M265-L668 HydrophobicContact SD-CD2 3.34Å; M265-L668 WeakPolarHBondContact SD-CD2 3.33Å; M265-L668 HydrophobicContact SD-CG 4.43Å
266V88.6Confident90.1Very high3 Ų342 Ų422%0.01820%0.203CC..Hα-helixtrans-57.9-47.7178.7174.80000110.8E262 I263 R268 V269 L270 P602 M605 V608 L609E262-V266 WeakPolarHBondContact O-CG2 3.1Å; E262-V266 PolarHBondContact O-N 3.46Å; I263-V266 PolarHBondContact O-N 2.95Å; V266-R268 VanDerWaalsContact C-N 3.31Å; V266-R268 PolarHBondContact O-N 2.73Å; V266-V269 PolarHBondContact O-N 3.48Å; V266-V269 VanDerWaalsContact O-N 3.09Å; V266-L270 HydrophobicContact CG1-CD1 3.81Å; V266-L270 HydrophobicContact CG1-CG 4.08Å; V266-L270 WeakPolarHBondContact O-CG 3.34Å; V266-L270 PolarHBondContact O-N 3.24Å; V266-P602 HydrophobicContact CG2-CG 4.29Å; V266-M605 HydrophobicContact CG2-CB 3.76Å; V266-M605 HydrophobicContact CG2-CG 4.33Å; V266-M605 HydrophobicContact CG2-SD 3.64Å; V266-V608 HydrophobicContact CG1-CG1 4.32Å; V266-L609 HydrophobicContact CB-CD1 4.32Å; V266-L609 HydrophobicContact CG1-CD1 4.16Å; V266-L609 HydrophobicContact CG2-CD1 4.11Å
267L89.7Confident90.6Very high43 Ų4338.9 Ų38.923%0.22518%0.183CC..Hα-helixtrans-60.9-36.9179.6-73.1173.3000112.8I227 W247 I263 M265 V269 L270 V271I227-L267 HydrophobicContact CD1-CD1 4.44Å; I227-L267 HydrophobicContact CD1-CD2 4.26Å; W247-L267 HydrophobicContact CH2-CD1 3.93Å; W247-L267 HydrophobicContact CZ2-CD1 3.71Å; I263-L267 HydrophobicContact CG2-CD1 3.77Å; I263-L267 HydrophobicContact CG2-CG 4.09Å; I263-L267 WeakPolarHBondContact O-CB 3.39Å; I263-L267 VanDerWaalsContact O-CG 3.3Å; I263-L267 WeakPolarHBondContact O-CG 3.28Å; I263-L267 PolarHBondContact O-N 2.89Å; M265-L267 VanDerWaalsContact C-N 3.34Å; M265-L267 PolarHBondContact O-N 3.27Å; L267-V269 VanDerWaalsContact C-N 3.31Å; L267-V269 PolarHBondContact O-N 2.97Å; L267-L270 HydrophobicContact CD2-CD1 4.47Å; L267-L270 PolarHBondContact O-N 2.96Å; L267-V271 VanDerWaalsContact O-CG2 3.31Å; L267-V271 WeakPolarHBondContact O-CG2 3.49Å; L267-V271 PolarHBondContact O-N 3.1Å
268R90.7Very high91.1Very high114 Ų11433.7 Ų33.743%0.4316%0.161SC..Hα-helixtrans-61.4-40.4174.6-74.8176.7-174-174.34.4112K264 M265 V266 L272 Y660 T661K264-R268 WeakPolarHBondContact O-CG 3.4Å; K264-R268 PolarHBondContact O-N 2.95Å; K264-R268 VanDerWaalsContact O-N 3.1Å; M265-R268 WeakPolarHBondContact O-CB 3.38Å; M265-R268 PolarHBondContact O-N 3.02Å; V266-R268 VanDerWaalsContact C-N 3.31Å; V266-R268 PolarHBondContact O-N 2.73Å; R268-L272 PolarHBondContact O-N 3.35Å; R268-Y660 HydrophobicContact CB-CE2 4.27Å; R268-T661 PolarHBondContact NH1-OG1 2.76Å
269V91.7Very high91.7Very high0 Ų028.1 Ų28.10%014%0.14CC..Hα-helixtrans-72.3-41.5177.1-173.90000111.1M265 V266 L267 V271 L272 Y273 F596 Q600 L609 Y660M265-V269 PolarHBondContact O-N 3.02Å; V266-V269 PolarHBondContact O-N 3.48Å; V266-V269 VanDerWaalsContact O-N 3.09Å; L267-V269 VanDerWaalsContact C-N 3.31Å; L267-V269 PolarHBondContact O-N 2.97Å; V269-V271 VanDerWaalsContact C-N 3.26Å; V269-V271 PolarHBondContact O-N 3.26Å; V269-L272 WeakPolarHBondContact O-CA 3.5Å; V269-L272 WeakPolarHBondContact O-CB 3.41Å; V269-L272 PolarHBondContact O-N 3.3Å; V269-Y273 HydrophobicContact CG1-CD1 4.27Å; V269-Y273 HydrophobicContact CG1-CE1 3.69Å; V269-Y273 WeakPolarHBondContact O-CD1 3.15Å; V269-Y273 PolarHBondContact O-N 3.36Å; V269-Y273 VanDerWaalsContact O-N 3.15Å; V269-F596 HydrophobicContact CG1-CE1 4.14Å; V269-Q600 HydrophobicContact CG2-CB 3.83Å; V269-L609 HydrophobicContact CB-CD1 4.01Å; V269-L609 HydrophobicContact CB-CD2 4.3Å; V269-L609 HydrophobicContact CB-CG 4.49Å; V269-L609 HydrophobicContact CG1-CD1 4.27Å; V269-L609 HydrophobicContact CG1-CD2 3.67Å; V269-L609 HydrophobicContact CG1-CG 4.35Å; V269-L609 HydrophobicContact CG2-CD1 4.16Å; V269-Y660 WeakPolarHBondContact CG2-OH 3.4Å
270L91.8Very high92.3Very high56 Ų5628 Ų2829%0.29314%0.138SC..Hα-helixtrans-62.4-32.3176.6-67.7178.4000112.6V266 L267 L272 Y273V266-L270 HydrophobicContact CG1-CD1 3.81Å; V266-L270 HydrophobicContact CG1-CG 4.08Å; V266-L270 WeakPolarHBondContact O-CG 3.34Å; V266-L270 PolarHBondContact O-N 3.24Å; L267-L270 HydrophobicContact CD2-CD1 4.47Å; L267-L270 PolarHBondContact O-N 2.96Å; L270-L272 VanDerWaalsContact C-N 3.35Å; L270-Y273 HydrophobicContact CD2-CD2 3.8Å; L270-Y273 HydrophobicContact CD2-CE2 4.09Å; L270-Y273 WeakPolarHBondContact O-CB 3.42Å; L270-Y273 PolarHBondContact O-N 3.04Å; L270-Y273 VanDerWaalsContact O-N 3.11Å
271V92.9Very high92.8Very high79 Ų7928 Ų2848%0.47914%0.138SC..Hα-helixtrans-63.8-41.2171.71690000110.9L267 V269 Y273 I274 M656L267-V271 VanDerWaalsContact O-CG2 3.31Å; L267-V271 WeakPolarHBondContact O-CG2 3.49Å; L267-V271 PolarHBondContact O-N 3.1Å; V269-V271 VanDerWaalsContact C-N 3.26Å; V269-V271 PolarHBondContact O-N 3.26Å; V271-Y273 PolarHBondContact O-N 2.9Å; V271-I274 HydrophobicContact CG1-CD1 4.44Å; V271-I274 WeakPolarHBondContact O-CB 3.06Å; V271-I274 WeakPolarHBondContact O-CG1 3.28Å; V271-I274 PolarHBondContact O-N 3.4Å; V271-M656 HydrophobicContact CG1-CE 3.96Å; V271-M656 WeakPolarHBondContact O-CE 3.23Å
272L93.4Very high93.3Very high6 Ų625.5 Ų25.53%0.03113%0.127CC..Hα-helixtrans-63.9-20.1173-79.3-177.5000113.6R268 V269 L270 P275 L345 F596 M656 Y660R268-L272 PolarHBondContact O-N 3.35Å; V269-L272 WeakPolarHBondContact O-CA 3.5Å; V269-L272 WeakPolarHBondContact O-CB 3.41Å; V269-L272 PolarHBondContact O-N 3.3Å; L270-L272 VanDerWaalsContact C-N 3.35Å; L272-P275 WeakPolarHBondContact O-CD 3.39Å; L272-L345 HydrophobicContact CD1-CD1 4.31Å; L272-L345 HydrophobicContact CD1-CD2 4.03Å; L272-F596 HydrophobicContact CD1-CE1 4.08Å; L272-F596 HydrophobicContact CD1-CZ 3.94Å; L272-M656 HydrophobicContact CD2-CB 3.89Å; L272-Y660 HydrophobicContact CD1-CD1 4.19Å; L272-Y660 HydrophobicContact CD1-CD2 3.18Å; L272-Y660 HydrophobicContact CD1-CE1 4.38Å; L272-Y660 HydrophobicContact CD1-CE2 3.41Å; L272-Y660 VanDerWaalsContact CD1-CE2 3.41Å; L272-Y660 HydrophobicContact CD1-CG 3.59Å; L272-Y660 HydrophobicContact CD2-CD2 4.3Å; L272-Y660 HydrophobicContact CG-CD2 3.7Å; L272-Y660 HydrophobicContact CG-CE2 4.07Å; L272-Y660 HydrophobicContact CG-CG 4.38Å
273Y94.7Very high93.8Very high10 Ų1025.8 Ų25.84%0.03913%0.128CC..Hα-helixtrans-77.8-22.2179-74.53.1000114.3V269 L270 V271 P275 L276 P277 S597 L609 W613 T616V269-Y273 HydrophobicContact CG1-CD1 4.27Å; V269-Y273 HydrophobicContact CG1-CE1 3.69Å; V269-Y273 WeakPolarHBondContact O-CD1 3.15Å; V269-Y273 PolarHBondContact O-N 3.36Å; V269-Y273 VanDerWaalsContact O-N 3.15Å; L270-Y273 HydrophobicContact CD2-CD2 3.8Å; L270-Y273 HydrophobicContact CD2-CE2 4.09Å; L270-Y273 WeakPolarHBondContact O-CB 3.42Å; L270-Y273 PolarHBondContact O-N 3.04Å; L270-Y273 VanDerWaalsContact O-N 3.11Å; V271-Y273 PolarHBondContact O-N 2.9Å; Y273-P275 VanDerWaalsContact C-N 3.33Å; Y273-L276 HydrophobicContact CD1-CD1 3.42Å; Y273-L276 VanDerWaalsContact CD1-CD1 3.42Å; Y273-L276 HydrophobicContact CD1-CG 4.49Å; Y273-L276 HydrophobicContact CE1-CD1 4Å; Y273-L276 HydrophobicContact CG-CD1 3.98Å; Y273-L276 VanDerWaalsContact O-CB 3.32Å; Y273-L276 WeakPolarHBondContact O-CB 3.4Å; Y273-L276 WeakPolarHBondContact O-CG 3.32Å; Y273-L276 PolarHBondContact O-N 3.4Å; Y273-P277 VanDerWaalsContact O-CD 3.29Å; Y273-P277 WeakPolarHBondContact O-CD 3.17Å; Y273-S597 WeakPolarHBondContact OH-CB 3.38Å; Y273-S597 PolarHBondContact OH-OG 3.12Å; Y273-L609 HydrophobicContact CE2-CD2 4.18Å; Y273-L609 WeakPolarHBondContact OH-CD2 3.5Å; Y273-W613 AromaticContact CE1-CE3 3.81Å; Y273-W613 HydrophobicContact CE1-CE3 3.81Å; Y273-W613 HydrophobicContact CE1-CZ3 4.2Å; Y273-W613 HydrophobicContact CE2-CB 4.01Å; Y273-W613 HydrophobicContact CE2-CE3 4.34Å; Y273-W613 AromaticContact CZ-CE3 3.69Å; Y273-T616 HydrophobicContact CD2-CG2 4.05Å; Y273-T616 HydrophobicContact CG-CG2 4.11Å
274I95.2Very high94.1Very high123 Ų12326.2 Ų26.263%0.63113%0.13SC*.THydrogen-bonded Turntrans-48.3-45.2-177.5-64.9171.8000113.6V271 P277V271-I274 HydrophobicContact CG1-CD1 4.44Å; V271-I274 WeakPolarHBondContact O-CB 3.06Å; V271-I274 WeakPolarHBondContact O-CG1 3.28Å; V271-I274 PolarHBondContact O-N 3.4Å; I274-P277 WeakPolarHBondContact O-CD 3.44Å
275P96Very high94.4Very high13 Ų1325.4 Ų25.48%0.08413%0.126CC..THydrogen-bonded Turntrans-76.2-18.8176.926.8-36.4000115.3L272 Y273 M278 V649 F653 M656L272-P275 WeakPolarHBondContact O-CD 3.39Å; Y273-P275 VanDerWaalsContact C-N 3.33Å; P275-M278 PolarHBondContact O-N 3.46Å; P275-V649 HydrophobicContact CB-CG1 3.57Å; P275-V649 VanDerWaalsContact O-CG1 3.23Å; P275-V649 WeakPolarHBondContact O-CG1 3.49Å; P275-F653 HydrophobicContact CB-CB 4.33Å; P275-F653 HydrophobicContact CG-CB 4.1Å; P275-F653 HydrophobicContact CG-CD2 3.73Å; P275-F653 HydrophobicContact CG-CG 4.41Å; P275-M656 HydrophobicContact CG-SD 4.07Å
276L95.9Very high94.8Very high1 Ų125.4 Ų25.41%0.00513%0.126CC..THydrogen-bonded Turntrans-64-29.6-171.7-55.3-174.2000116.3Y273 M278 F279 M348 F589 W613 T616 F653Y273-L276 HydrophobicContact CD1-CD1 3.42Å; Y273-L276 VanDerWaalsContact CD1-CD1 3.42Å; Y273-L276 HydrophobicContact CD1-CG 4.49Å; Y273-L276 HydrophobicContact CE1-CD1 4Å; Y273-L276 HydrophobicContact CG-CD1 3.98Å; Y273-L276 VanDerWaalsContact O-CB 3.32Å; Y273-L276 WeakPolarHBondContact O-CB 3.4Å; Y273-L276 WeakPolarHBondContact O-CG 3.32Å; Y273-L276 PolarHBondContact O-N 3.4Å; L276-M278 PolarHBondContact O-N 3.42Å; L276-F279 WeakPolarHBondContact O-CB 3.49Å; L276-F279 PolarHBondContact O-N 3.14Å; L276-M348 HydrophobicContact CD1-CE 4.06Å; L276-M348 HydrophobicContact CD2-CE 3.83Å; L276-F589 HydrophobicContact CB-CZ 3.88Å; L276-F589 HydrophobicContact CD1-CZ 4.44Å; L276-F589 HydrophobicContact CD2-CE2 3.59Å; L276-F589 HydrophobicContact CD2-CZ 3.51Å; L276-F589 HydrophobicContact CG-CZ 4.11Å; L276-W613 HydrophobicContact CD1-CE3 4.17Å; L276-W613 HydrophobicContact CD1-CH2 4.48Å; L276-W613 HydrophobicContact CD1-CZ3 3.68Å; L276-T616 HydrophobicContact CB-CG2 4.21Å; L276-F653 HydrophobicContact CD2-CD2 4Å; L276-F653 HydrophobicContact CD2-CE2 3.74Å; L276-F653 HydrophobicContact CD2-CZ 4.42Å
277P97.8Very high95Very high14 Ų1425.4 Ų25.49%0.09113%0.127CC..Hα-helixtrans-50.7-31.8175.9-3136.9000114.3Y273 I274 F279 W280 A281 T616 F619 G620 I623Y273-P277 VanDerWaalsContact O-CD 3.29Å; Y273-P277 WeakPolarHBondContact O-CD 3.17Å; I274-P277 WeakPolarHBondContact O-CD 3.44Å; P277-F279 VanDerWaalsContact C-N 3.3Å; P277-F279 PolarHBondContact O-N 3.23Å; P277-W280 PolarHBondContact O-N 3.5Å; P277-A281 PolarHBondContact O-N 3.39Å; P277-T616 WeakPolarHBondContact CA-O 3.39Å; P277-F619 HydrophobicContact CB-CB 3.94Å; P277-F619 HydrophobicContact CG-CB 3.93Å; P277-G620 WeakPolarHBondContact O-CA 3.33Å; P277-I623 HydrophobicContact CB-CD1 3.9Å
278M97.2Very high95.3Very high14 Ų1423.3 Ų23.37%0.06912%0.116CC..Hα-helixtrans-62.1-37.5179.8-16365-113.100112.4P275 L276 W280 A281 L282 I623 F642 L645 L646 V649P275-M278 PolarHBondContact O-N 3.46Å; L276-M278 PolarHBondContact O-N 3.42Å; M278-W280 VanDerWaalsContact C-N 3.34Å; M278-W280 PolarHBondContact O-N 3.04Å; M278-A281 HydrophobicContact CE-CB 3.81Å; M278-A281 PolarHBondContact O-N 3.41Å; M278-L282 HydrophobicContact CE-CD1 3.41Å; M278-L282 VanDerWaalsContact CE-CD1 3.41Å; M278-L282 WeakPolarHBondContact O-CD1 3.3Å; M278-L282 PolarHBondContact O-N 3.03Å; M278-I623 HydrophobicContact CE-CG2 4.44Å; M278-F642 HydrophobicContact CE-CD1 3.36Å; M278-F642 HydrophobicContact CE-CE1 3.75Å; M278-L645 HydrophobicContact CE-CB 4.36Å; M278-L645 HydrophobicContact SD-CB 4.04Å; M278-L646 HydrophobicContact CB-CD1 4.02Å; M278-L646 HydrophobicContact CG-CB 4.21Å; M278-L646 HydrophobicContact CG-CD1 3.87Å; M278-V649 HydrophobicContact CB-CB 4.18Å; M278-V649 HydrophobicContact CB-CG1 3.93Å; M278-V649 HydrophobicContact CB-CG2 3.97Å; M278-V649 HydrophobicContact CG-CB 4.18Å; M278-V649 HydrophobicContact CG-CG1 4.47Å; M278-V649 HydrophobicContact CG-CG2 3.85Å
279F97.9Very high95.5Very high0 Ų018.1 Ų18.10%010%0.096CC..Hα-helixtrans-62.4-44.9175.8178.2-87.9000110.9L276 P277 A281 L282 F283 M352 A355 E586 F589 L646L276-F279 WeakPolarHBondContact O-CB 3.49Å; L276-F279 PolarHBondContact O-N 3.14Å; P277-F279 VanDerWaalsContact C-N 3.3Å; P277-F279 PolarHBondContact O-N 3.23Å; F279-A281 VanDerWaalsContact C-N 3.32Å; F279-A281 PolarHBondContact O-N 3.33Å; F279-L282 PolarHBondContact O-N 3Å; F279-L282 VanDerWaalsContact O-N 3.15Å; F279-F283 HydrophobicContact CD1-CB 4.42Å; F279-F283 HydrophobicContact CE1-CB 4.14Å; F279-F283 HydrophobicContact CE1-CD2 4.38Å; F279-F283 HydrophobicContact CE1-CG 4.42Å; F279-F283 WeakPolarHBondContact O-CB 3.34Å; F279-F283 PolarHBondContact O-N 3.45Å; F279-M352 HydrophobicContact CB-CG 4.5Å; F279-M352 HydrophobicContact CD2-CG 4.06Å; F279-A355 HydrophobicContact CD2-CB 3.96Å; F279-A355 HydrophobicContact CE2-CB 3.65Å; F279-E586 HydrophobicContact CZ-CB 4.45Å; F279-F589 HydrophobicContact CB-CD1 4.23Å; F279-F589 HydrophobicContact CB-CD2 4.4Å; F279-F589 HydrophobicContact CB-CE1 3.7Å; F279-F589 HydrophobicContact CB-CE2 3.87Å; F279-F589 HydrophobicContact CB-CZ 3.46Å; F279-F589 VanDerWaalsContact CB-CZ 3.46Å; F279-F589 AromaticContact CD1-CD1 3.25Å; F279-F589 HydrophobicContact CD1-CD1 3.25Å; F279-F589 AromaticContact CD1-CE1 3.31Å; F279-F589 HydrophobicContact CD1-CE1 3.31Å; F279-F589 AromaticContact CD1-CG 3.95Å; F279-F589 HydrophobicContact CD1-CG 3.95Å; F279-F589 HydrophobicContact CD1-CZ 4.03Å; F279-F589 HydrophobicContact CD2-CB 4.15Å; F279-F589 AromaticContact CD2-CD1 3.94Å; F279-F589 HydrophobicContact CD2-CD1 3.94Å; F279-F589 AromaticContact CD2-CD2 3.93Å; F279-F589 HydrophobicContact CD2-CD2 3.93Å; F279-F589 HydrophobicContact CD2-CE1 4.27Å; F279-F589 HydrophobicContact CD2-CE2 4.24Å; F279-F589 AromaticContact CD2-CG 3.74Å; F279-F589 HydrophobicContact CD2-CG 3.74Å; F279-F589 HydrophobicContact CD2-CZ 4.39Å; F279-F589 HydrophobicContact CE1-CB 4.28Å; F279-F589 AromaticContact CE1-CD1 3.47Å; F279-F589 HydrophobicContact CE1-CD1 3.47Å; F279-F589 VanDerWaalsContact CE1-CD1 3.47Å; F279-F589 HydrophobicContact CE1-CE1 4.02Å; F279-F589 HydrophobicContact CE1-CG 4.06Å; F279-F589 HydrophobicContact CE2-CB 3.73Å; F279-F589 HydrophobicContact CE2-CD1 4.11Å; F279-F589 HydrophobicContact CE2-CD2 4.38Å; F279-F589 AromaticContact CE2-CG 3.83Å; F279-F589 HydrophobicContact CE2-CG 3.83Å; F279-F589 AromaticContact CG-CD1 3.52Å; F279-F589 HydrophobicContact CG-CD1 3.52Å; F279-F589 HydrophobicContact CG-CD2 4.05Å; F279-F589 AromaticContact CG-CE1 3.48Å; F279-F589 HydrophobicContact CG-CE1 3.48Å; F279-F589 VanDerWaalsContact CG-CE1 3.48Å; F279-F589 AromaticContact CG-CE2 4Å; F279-F589 HydrophobicContact CG-CE2 4Å; F279-F589 AromaticContact CG-CG 3.81Å; F279-F589 HydrophobicContact CG-CG 3.81Å; F279-F589 AromaticContact CG-CZ 3.7Å; F279-F589 HydrophobicContact CG-CZ 3.7Å; F279-F589 HydrophobicContact CZ-CB 3.82Å; F279-F589 AromaticContact CZ-CD1 3.9Å; F279-F589 HydrophobicContact CZ-CD1 3.9Å; F279-F589 HydrophobicContact CZ-CG 4.01Å; F279-L646 HydrophobicContact CB-CD1 4.4Å
280W97.5Very high95.7Very high14 Ų1418.1 Ų18.15%0.05310%0.096CC..Hα-helixtrans-67.5-33179.7-63.1118.2000113.1P277 M278 L282 F283 D284 F589 S590 W613 T616 V617P277-W280 PolarHBondContact O-N 3.5Å; M278-W280 VanDerWaalsContact C-N 3.34Å; M278-W280 PolarHBondContact O-N 3.04Å; W280-L282 PolarHBondContact O-N 3.35Å; W280-F283 HydrophobicContact CE3-CB 4.05Å; W280-F283 AromaticContact CE3-CD1 3.77Å; W280-F283 HydrophobicContact CE3-CD1 3.77Å; W280-F283 HydrophobicContact CE3-CG 4.06Å; W280-F283 AromaticContact CZ3-CD1 3.73Å; W280-F283 HydrophobicContact CZ3-CD1 3.73Å; W280-F283 HydrophobicContact CZ3-CE1 4.1Å; W280-F283 HydrophobicContact CZ3-CG 4.11Å; W280-F283 PolarHBondContact O-N 3.36Å; W280-D284 PolarHBondContact O-N 3.12Å; W280-F589 HydrophobicContact CZ2-CE1 4.3Å; W280-S590 WeakPolarHBondContact CH2-OG 3.41Å; W280-W613 AromaticContact CZ2-CE2 3.92Å; W280-W613 AromaticContact CZ2-CZ2 3.67Å; W280-W613 HydrophobicContact CZ2-CZ2 3.67Å; W280-W613 AromaticContact CZ2-NE1 3.84Å; W280-T616 PolarHBondContact NE1-OG1 3.46Å; W280-T616 VanDerWaalsContact NE1-OG1 3.13Å; W280-V617 HydrophobicContact CB-CG1 4.34Å; W280-V617 HydrophobicContact CD2-CB 4.33Å; W280-V617 HydrophobicContact CD2-CG1 4.21Å; W280-V617 HydrophobicContact CD2-CG2 3.78Å; W280-V617 HydrophobicContact CE3-CG1 4.31Å; W280-V617 HydrophobicContact CE3-CG2 4.35Å; W280-V617 HydrophobicContact CG-CB 4.16Å; W280-V617 HydrophobicContact CG-CG1 4.22Å; W280-V617 HydrophobicContact CG-CG2 4Å; W280-V617 HydrophobicContact CZ2-CG2 4.03Å
281A97.4Very high95.9Very high0 Ų015.5 Ų15.50%08%0.082CC..Hα-helixtrans-61.3-31.617300000112.5P277 M278 F279 Q285 G620 I623 V624 F642P277-A281 PolarHBondContact O-N 3.39Å; M278-A281 HydrophobicContact CE-CB 3.81Å; M278-A281 PolarHBondContact O-N 3.41Å; F279-A281 VanDerWaalsContact C-N 3.32Å; F279-A281 PolarHBondContact O-N 3.33Å; A281-Q285 WeakPolarHBondContact O-CG 3.4Å; A281-Q285 PolarHBondContact O-NE2 3.06Å; A281-G620 WeakPolarHBondContact CA-O 3.28Å; A281-G620 VanDerWaalsContact CB-O 3.25Å; A281-G620 WeakPolarHBondContact CB-O 3.36Å; A281-I623 HydrophobicContact CB-CB 4.14Å; A281-I623 HydrophobicContact CB-CG2 4.18Å; A281-V624 HydrophobicContact CB-CG2 3.79Å; A281-V624 WeakPolarHBondContact O-CG2 3.46Å; A281-F642 HydrophobicContact CB-CE1 4.07Å
282L97.7Very high95.9Very high0 Ų011.8 Ų11.80%06%0.06CC..Hα-helixtrans-79.9-46.2171.6-85.778.7000111M278 F279 W280 D284 Q285 F359 F642 L646M278-L282 HydrophobicContact CE-CD1 3.41Å; M278-L282 VanDerWaalsContact CE-CD1 3.41Å; M278-L282 WeakPolarHBondContact O-CD1 3.3Å; M278-L282 PolarHBondContact O-N 3.03Å; F279-L282 PolarHBondContact O-N 3Å; F279-L282 VanDerWaalsContact O-N 3.15Å; W280-L282 PolarHBondContact O-N 3.35Å; L282-D284 PolarHBondContact O-N 3.45Å; L282-Q285 PolarHBondContact O-N 3.33Å; L282-F359 HydrophobicContact CB-CD2 3.97Å; L282-F359 HydrophobicContact CB-CE2 3.41Å; L282-F359 VanDerWaalsContact CB-CE2 3.41Å; L282-F359 HydrophobicContact CB-CZ 3.73Å; L282-F359 HydrophobicContact CD2-CB 4.07Å; L282-F359 HydrophobicContact CD2-CD1 4.04Å; L282-F359 HydrophobicContact CD2-CD2 3.36Å; L282-F359 HydrophobicContact CD2-CE1 4.35Å; L282-F359 HydrophobicContact CD2-CE2 3.74Å; L282-F359 HydrophobicContact CD2-CG 3.52Å; L282-F359 HydrophobicContact CD2-CZ 4.22Å; L282-F359 HydrophobicContact CG-CD1 4.14Å; L282-F359 HydrophobicContact CG-CD2 3.74Å; L282-F359 HydrophobicContact CG-CE1 3.96Å; L282-F359 HydrophobicContact CG-CE2 3.55Å; L282-F359 HydrophobicContact CG-CG 4.03Å; L282-F359 HydrophobicContact CG-CZ 3.66Å; L282-F359 WeakPolarHBondContact O-CE2 3.5Å; L282-F359 VanDerWaalsContact O-CZ 3.3Å; L282-F359 WeakPolarHBondContact O-CZ 3.28Å; L282-F642 HydrophobicContact CD1-CB 3.87Å; L282-F642 HydrophobicContact CD1-CD1 3.75Å; L282-F642 HydrophobicContact CD1-CG 4.26Å; L282-F642 HydrophobicContact CD2-CB 4.4Å; L282-F642 HydrophobicContact CG-CB 4Å; L282-F642 HydrophobicContact CG-CD1 4.45Å; L282-L646 HydrophobicContact CD1-CB 4.09Å; L282-L646 HydrophobicContact CD1-CD2 4.31Å; L282-L646 HydrophobicContact CD2-CB 4.06Å; L282-L646 HydrophobicContact CD2-CD2 3.63Å; L282-L646 HydrophobicContact CD2-CG 4.47Å; L282-L646 HydrophobicContact CG-CD2 4.41Å
283F97.3Very high95.9Very high22 Ų2211.5 Ų11.510%0.0966%0.058CC..Hα-helixtrans-59.3-46-174.2-178.4-97.8000113.4F279 W280 Q285 Q286 L582 E586F279-F283 HydrophobicContact CD1-CB 4.42Å; F279-F283 HydrophobicContact CE1-CB 4.14Å; F279-F283 HydrophobicContact CE1-CD2 4.38Å; F279-F283 HydrophobicContact CE1-CG 4.42Å; F279-F283 WeakPolarHBondContact O-CB 3.34Å; F279-F283 PolarHBondContact O-N 3.45Å; W280-F283 HydrophobicContact CE3-CB 4.05Å; W280-F283 AromaticContact CE3-CD1 3.77Å; W280-F283 HydrophobicContact CE3-CD1 3.77Å; W280-F283 HydrophobicContact CE3-CG 4.06Å; W280-F283 AromaticContact CZ3-CD1 3.73Å; W280-F283 HydrophobicContact CZ3-CD1 3.73Å; W280-F283 HydrophobicContact CZ3-CE1 4.1Å; W280-F283 HydrophobicContact CZ3-CG 4.11Å; W280-F283 PolarHBondContact O-N 3.36Å; F283-Q285 PolarHBondContact O-N 3.19Å; F283-Q286 WeakPolarHBondContact O-CG 3.11Å; F283-Q286 PolarHBondContact O-NE2 3.32Å; F283-L582 HydrophobicContact CD2-CD1 4.36Å; F283-L582 HydrophobicContact CD2-CD2 4.38Å; F283-L582 HydrophobicContact CD2-CG 4.12Å; F283-E586 HydrophobicContact CD2-CB 4.39Å; F283-E586 HydrophobicContact CE2-CB 3.95Å; F283-E586 HydrophobicContact CE2-CG 3.85Å; F283-E586 WeakPolarHBondContact CE2-OE2 3.49Å; F283-E586 HydrophobicContact CZ-CG 4.27Å; F283-E586 WeakPolarHBondContact CZ-OE1 3.44Å; F283-E586 WeakPolarHBondContact CZ-OE2 3.37Å
284D95.9Very high95.9Very high9 Ų911 Ų115%0.0486%0.056CC..G310 helixtrans-75.1-9-174.6-90-42.3000113.8K32 H55 W280 L282 Q286 N621K32-D284 IonicContact NZ-OD1 3.34Å; K32-D284 PolarHBondContact NZ-OD1 3.29Å; H55-D284 PolarHBondContact CE1-O 3.31Å; W280-D284 PolarHBondContact O-N 3.12Å; L282-D284 PolarHBondContact O-N 3.45Å; D284-Q286 PolarHBondContact O-N 3.47Å; D284-N621 PolarHBondContact OD2-ND2 3.31Å; D284-N621 PolarHBondContact OD2-OD1 2.75Å
285Q95.9Very high95.7Very high0 Ų05.4 Ų5.40%03%0.028CC..G310 helixtrans-70-11.5177.3-73.5-177.245.200114A281 L282 F283 G287 S288 R289 W290 F359 V624 F642A281-Q285 WeakPolarHBondContact O-CG 3.4Å; A281-Q285 PolarHBondContact O-NE2 3.06Å; L282-Q285 PolarHBondContact O-N 3.33Å; F283-Q285 PolarHBondContact O-N 3.19Å; Q285-G287 PolarHBondContact O-N 3.26Å; Q285-S288 CarbonylContact O-C 3.54Å; Q285-S288 PolarHBondContact O-N 3.49Å; Q285-S288 VanDerWaalsContact O-N 3.12Å; Q285-R289 PolarHBondContact O-N 3.17Å; Q285-W290 PolarHBondContact O-N 3.16Å; Q285-W290 VanDerWaalsContact O-N 3.12Å; Q285-F359 HydrophobicContact CB-CZ 4.07Å; Q285-F359 HydrophobicContact CG-CZ 4.36Å; Q285-V624 HydrophobicContact CG-CG1 4.22Å; Q285-V624 HydrophobicContact CG-CG2 4.33Å; Q285-F642 VanDerWaalsContact NE2-CD2 3.3Å; Q285-F642 VanDerWaalsContact NE2-CE2 3.31Å
286Q95.3Very high95.5Very high13 Ų135.6 Ų5.66%0.0613%0.027CC..G310 helixtrans-54.1-37174.6-69.5176.77700112.5F283 D284 W290 T291 Y579 L582F283-Q286 WeakPolarHBondContact O-CG 3.11Å; F283-Q286 PolarHBondContact O-NE2 3.32Å; D284-Q286 PolarHBondContact O-N 3.47Å; Q286-W290 HydrophobicContact CB-CE3 4.29Å; Q286-W290 HydrophobicContact CG-CD2 4.2Å; Q286-W290 HydrophobicContact CG-CE3 3.68Å; Q286-W290 HydrophobicContact CG-CH2 4.39Å; Q286-W290 HydrophobicContact CG-CZ3 3.78Å; Q286-T291 PolarHBondContact O-OG1 3.05Å; Q286-Y579 HydrophobicContact CB-CE1 4.12Å; Q286-Y579 HydrophobicContact CG-CE1 3.96Å; Q286-Y579 PolarHBondContact O-OH 3.33Å; Q286-Y579 VanDerWaalsContact OE1-CD1 3.27Å; Q286-L582 HydrophobicContact CG-CD2 3.46Å; Q286-L582 VanDerWaalsContact CG-CD2 3.46Å; Q286-L582 VanDerWaalsContact NE2-CD2 3.29Å
287G93.3Very high95.3Very high2 Ų25.5 Ų5.52%0.0213%0.027CC..G310 helixtrans-92.9-0.5-178.700000115.3T36 Y54 Q285T36-G287 PolarHBondContact OG1-O 2.87Å; Y54-G287 WeakPolarHBondContact OH-CA 3.3Å; Q285-G287 PolarHBondContact O-N 3.26Å
288S95.3Very high95Very high0 Ų06.2 Ų6.20%03%0.029CC..THydrogen-bonded Turntrans-121.8-92.5178.160.50000110.7H55 Q285 W290 T291 L292H55-S288 PolarHBondContact NE2-OG 2.88Å; Q285-S288 CarbonylContact O-C 3.54Å; Q285-S288 PolarHBondContact O-N 3.49Å; Q285-S288 VanDerWaalsContact O-N 3.12Å; S288-W290 VanDerWaalsContact C-N 3.31Å; S288-W290 PolarHBondContact O-N 2.74Å; S288-T291 WeakPolarHBondContact O-CA 3.38Å; S288-T291 WeakPolarHBondContact O-CB 3.24Å; S288-T291 PolarHBondContact O-N 3.06Å; S288-L292 PolarHBondContact O-N 3.17Å
289R94.9Very high94.7Very high5 Ų55.8 Ų5.82%0.0193%0.028CC..Hα-helixtrans-57-38.6-175.3-66.7-60.2-160.5-167.66113.2D48 T51 Q285 L292 Q293 Q635 E638 F639D48-R289 IonicContact OD1-CZ 3.47Å; D48-R289 IonicContact OD1-NH1 3.88Å; D48-R289 PolarHBondContact OD1-NH1 2.83Å; D48-R289 IonicContact OD1-NH2 2.72Å; D48-R289 PolarHBondContact OD1-NH2 3.5Å; T51-R289 HydrophobicContact CG2-CG 4.18Å; Q285-R289 PolarHBondContact O-N 3.17Å; R289-L292 CarbonylContact O-C 3.5Å; R289-L292 PolarHBondContact O-N 2.73Å; R289-Q293 PolarHBondContact O-N 3.45Å; R289-Q635 PolarHBondContact O-NE2 3.32Å; R289-E638 IonicContact CZ-OE1 3.14Å; R289-E638 IonicContact CZ-OE2 3.68Å; R289-E638 IonicContact NE-OE1 2.69Å; R289-E638 PolarHBondContact NE-OE1 2.98Å; R289-E638 IonicContact NE-OE2 3.14Å; R289-E638 PolarHBondContact NE-OE2 3.41Å; R289-E638 IonicContact NH2-OE1 3.66Å; R289-E638 IonicContact NH2-OE2 3.67Å; R289-E638 PolarHBondContact NH2-OE2 3.08Å; R289-F639 HydrophobicContact CB-CE1 3.59Å; R289-F639 HydrophobicContact CB-CZ 3.84Å; R289-F639 HydrophobicContact CG-CE1 4.31Å
290W96.6Very high94.1Very high0 Ų06.1 Ų6.10%03%0.03CC..Hα-helixtrans-71.4-32178.4-70.217.8000112.6Q285 Q286 S288 Q293 A294 F359 A362 Q575 Q578 Y579 L582 F639Q285-W290 PolarHBondContact O-N 3.16Å; Q285-W290 VanDerWaalsContact O-N 3.12Å; Q286-W290 HydrophobicContact CB-CE3 4.29Å; Q286-W290 HydrophobicContact CG-CD2 4.2Å; Q286-W290 HydrophobicContact CG-CE3 3.68Å; Q286-W290 HydrophobicContact CG-CH2 4.39Å; Q286-W290 HydrophobicContact CG-CZ3 3.78Å; S288-W290 VanDerWaalsContact C-N 3.31Å; S288-W290 PolarHBondContact O-N 2.74Å; W290-Q293 WeakPolarHBondContact O-CB 3.18Å; W290-Q293 PolarHBondContact O-N 3.37Å; W290-A294 PolarHBondContact O-N 3.35Å; W290-F359 HydrophobicContact CZ2-CD2 4.19Å; W290-F359 AromaticContact CZ2-CE2 3.9Å; W290-F359 HydrophobicContact CZ2-CE2 3.9Å; W290-A362 HydrophobicContact CZ2-CB 4.37Å; W290-Q575 PolarHBondContact O-NE2 3.34Å; W290-Q578 HydrophobicContact CE3-CG 4.24Å; W290-Q578 HydrophobicContact CH2-CB 3.75Å; W290-Q578 HydrophobicContact CH2-CG 3.88Å; W290-Q578 WeakPolarHBondContact CH2-O 3.25Å; W290-Q578 HydrophobicContact CZ2-CB 4.12Å; W290-Q578 HydrophobicContact CZ2-CG 4.32Å; W290-Q578 HydrophobicContact CZ3-CB 4.21Å; W290-Q578 HydrophobicContact CZ3-CG 3.84Å; W290-Y579 HydrophobicContact CE3-CD1 4.21Å; W290-Y579 AromaticContact CE3-CD2 3.97Å; W290-Y579 HydrophobicContact CE3-CD2 3.97Å; W290-Y579 AromaticContact CE3-CE1 3.89Å; W290-Y579 HydrophobicContact CE3-CE1 3.89Å; W290-Y579 AromaticContact CE3-CE2 3.61Å; W290-Y579 HydrophobicContact CE3-CE2 3.61Å; W290-Y579 HydrophobicContact CE3-CG 4.25Å; W290-Y579 AromaticContact CE3-CZ 3.57Å; W290-Y579 AromaticContact CZ3-CD1 3.83Å; W290-Y579 HydrophobicContact CZ3-CD1 3.83Å; W290-Y579 AromaticContact CZ3-CD2 3.87Å; W290-Y579 HydrophobicContact CZ3-CD2 3.87Å; W290-Y579 AromaticContact CZ3-CE1 3.98Å; W290-Y579 HydrophobicContact CZ3-CE1 3.98Å; W290-Y579 AromaticContact CZ3-CE2 4Å; W290-Y579 HydrophobicContact CZ3-CE2 4Å; W290-Y579 AromaticContact CZ3-CG 3.78Å; W290-Y579 HydrophobicContact CZ3-CG 3.78Å; W290-L582 HydrophobicContact CH2-CB 3.92Å; W290-L582 HydrophobicContact CH2-CD2 3.38Å; W290-L582 HydrophobicContact CH2-CG 4.29Å; W290-L582 HydrophobicContact CZ2-CD2 3.91Å; W290-L582 HydrophobicContact CZ3-CD2 3.86Å; W290-F639 AromaticContact CD1-CE1 3.83Å; W290-F639 AromaticContact CD1-CZ 3.66Å; W290-F639 AromaticContact NE1-CE1 3.98Å
291T95.3Very high93.5Very high0 Ų08.9 Ų8.90%04%0.043CC..Hα-helixtrans-66.4-42.2171.2-60.90000110.1L37 Q286 S288 Q293 A294 T295 P309 D310 Q313L37-T291 HydrophobicContact CD1-CG2 4.39Å; L37-T291 HydrophobicContact CD2-CG2 4.1Å; L37-T291 HydrophobicContact CG-CG2 4.07Å; Q286-T291 PolarHBondContact O-OG1 3.05Å; S288-T291 WeakPolarHBondContact O-CA 3.38Å; S288-T291 WeakPolarHBondContact O-CB 3.24Å; S288-T291 PolarHBondContact O-N 3.06Å; T291-Q293 VanDerWaalsContact C-N 3.31Å; T291-Q293 PolarHBondContact O-N 3.3Å; T291-A294 WeakPolarHBondContact O-CB 3.42Å; T291-A294 PolarHBondContact O-N 3.18Å; T291-A294 VanDerWaalsContact O-N 3.11Å; T291-T295 WeakPolarHBondContact O-CG2 3.47Å; T291-T295 PolarHBondContact O-N 3.38Å; T291-T295 VanDerWaalsContact O-N 3.12Å; T291-P309 HydrophobicContact CG2-CB 4.33Å; T291-D310 HydrophobicContact CG2-CB 4.12Å; T291-Q313 PolarHBondContact OG1-NE2 3.48Å
292L93Very high92.6Very high1 Ų111.6 Ų11.61%0.0057%0.071CC..Hα-helixtrans-69.3-23.3174.9-64.4175.7000114.5T36 V40 K47 S288 R289 T295 R296T36-L292 HydrophobicContact CG2-CD1 4.22Å; T36-L292 HydrophobicContact CG2-CD2 3.9Å; T36-L292 HydrophobicContact CG2-CG 3.9Å; V40-L292 HydrophobicContact CG2-CD2 4.08Å; K47-L292 HydrophobicContact CB-CD1 3.92Å; K47-L292 HydrophobicContact CD-CD1 4.49Å; K47-L292 HydrophobicContact CG-CD1 4.12Å; K47-L292 HydrophobicContact CG-CD2 4.4Å; S288-L292 PolarHBondContact O-N 3.17Å; R289-L292 CarbonylContact O-C 3.5Å; R289-L292 PolarHBondContact O-N 2.73Å; L292-T295 PolarHBondContact O-OG1 3.49Å; L292-R296 PolarHBondContact O-NE 2.91Å; L292-R296 PolarHBondContact O-NH2 3.15Å
293Q94.9Very high91.3Very high0 Ų020.3 Ų20.30%011%0.112CC..Hα-helixtrans-69.4-47.2166.6172.6175.676.200109.8R289 W290 T291 T295 R296 M297 A362 V365 E366 Q578R289-Q293 PolarHBondContact O-N 3.45Å; W290-Q293 WeakPolarHBondContact O-CB 3.18Å; W290-Q293 PolarHBondContact O-N 3.37Å; T291-Q293 VanDerWaalsContact C-N 3.31Å; T291-Q293 PolarHBondContact O-N 3.3Å; Q293-T295 VanDerWaalsContact C-N 3.32Å; Q293-T295 PolarHBondContact O-N 3.11Å; Q293-R296 PolarHBondContact O-N 3.04Å; Q293-R296 VanDerWaalsContact O-N 3.09Å; Q293-M297 HydrophobicContact CG-SD 4.14Å; Q293-M297 WeakPolarHBondContact O-CG 3.48Å; Q293-A362 PolarHBondContact NE2-O 3.13Å; Q293-A362 VanDerWaalsContact NE2-O 3.12Å; Q293-V365 HydrophobicContact CG-CG1 4.41Å; Q293-E366 VanDerWaalsContact CG-OE2 3.22Å; Q293-E366 WeakPolarHBondContact CG-OE2 3.24Å; Q293-E366 PolarHBondContact NE2-OE2 3.26Å; Q293-Q578 VanDerWaalsContact OE1-NE2 3.14Å
294A93.8Very high90Very high0 Ų025.1 Ų25.10%015%0.148CC..Hα-helixtrans-62.5-32.7-177.500000113.7W290 T291 R296 M297 L299 P309 I572W290-A294 PolarHBondContact O-N 3.35Å; T291-A294 WeakPolarHBondContact O-CB 3.42Å; T291-A294 PolarHBondContact O-N 3.18Å; T291-A294 VanDerWaalsContact O-N 3.11Å; A294-R296 PolarHBondContact O-N 3.34Å; A294-R296 VanDerWaalsContact O-N 3.11Å; A294-M297 WeakPolarHBondContact O-CB 3.26Å; A294-M297 PolarHBondContact O-N 2.94Å; A294-L299 WeakPolarHBondContact O-CD2 3.46Å; A294-P309 HydrophobicContact CB-CB 3.72Å; A294-I572 HydrophobicContact CB-CD1 4.12Å; A294-I572 HydrophobicContact CB-CG1 4.45Å
295T91.3Very high89.3Confident5 Ų530.8 Ų30.83%0.03117%0.172CC..THydrogen-bonded Turntrans-59.8-22.1175.462.10000113.5L37 T291 L292 Q293 P309 E476L37-T295 HydrophobicContact CD2-CG2 3.64Å; T291-T295 WeakPolarHBondContact O-CG2 3.47Å; T291-T295 PolarHBondContact O-N 3.38Å; T291-T295 VanDerWaalsContact O-N 3.12Å; L292-T295 PolarHBondContact O-OG1 3.49Å; Q293-T295 VanDerWaalsContact C-N 3.32Å; Q293-T295 PolarHBondContact O-N 3.11Å; T295-P309 HydrophobicContact CG2-CB 3.91Å; T295-P309 HydrophobicContact CG2-CG 3.91Å; T295-E476 VanDerWaalsContact CB-O 3.25Å; T295-E476 WeakPolarHBondContact CB-O 3.49Å; T295-E476 HydrophobicContact CG2-CB 4.41Å; T295-E476 VanDerWaalsContact CG2-O 3.26Å; T295-E476 WeakPolarHBondContact CG2-O 3.43Å
296R91.5Very high88.8Confident17 Ų1733.8 Ų33.86%0.06419%0.191CC..THydrogen-bonded Turntrans-102.612.9-179.8-64174.1-72.5143.56.6112.8L292 Q293 A294 E366 V369 V373 N568L292-R296 PolarHBondContact O-NE 2.91Å; L292-R296 PolarHBondContact O-NH2 3.15Å; Q293-R296 PolarHBondContact O-N 3.04Å; Q293-R296 VanDerWaalsContact O-N 3.09Å; A294-R296 PolarHBondContact O-N 3.34Å; A294-R296 VanDerWaalsContact O-N 3.11Å; R296-E366 IonicContact CZ-OE1 3.79Å; R296-E366 IonicContact NH1-OE1 2.73Å; R296-E366 PolarHBondContact NH1-OE1 3Å; R296-E366 IonicContact NH2-OE1 2.92Å; R296-E366 PolarHBondContact NH2-OE1 3.31Å; R296-E366 IonicContact NH2-OE2 3.06Å; R296-E366 PolarHBondContact NH2-OE2 3.06Å; R296-V369 HydrophobicContact CB-CG1 3.43Å; R296-V369 VanDerWaalsContact CB-CG1 3.43Å; R296-V373 HydrophobicContact CB-CG2 4.49Å; R296-V373 HydrophobicContact CG-CG2 4.4Å; R296-N568 VanDerWaalsContact C-ND2 3.26Å; R296-N568 PolarHBondContact O-ND2 3.49Å; R296-N568 PolarHBondContact O-OD1 3.42Å
297M92.6Very high88.6Confident0 Ų034.7 Ų34.70%020%0.196CC..SBendtrans-104.7166.1178.2-62.4-178.785.100111.3Q293 A294 L299 V365 V369 N568 V570 H571 I572 W574 Q575Q293-M297 HydrophobicContact CG-SD 4.14Å; Q293-M297 WeakPolarHBondContact O-CG 3.48Å; A294-M297 WeakPolarHBondContact O-CB 3.26Å; A294-M297 PolarHBondContact O-N 2.94Å; M297-L299 PolarHBondContact O-N 3.48Å; M297-V365 HydrophobicContact CE-CG1 3.6Å; M297-V365 HydrophobicContact SD-CG1 4.24Å; M297-V369 HydrophobicContact CE-CG2 4.48Å; M297-V369 HydrophobicContact CG-CG2 3.78Å; M297-V369 HydrophobicContact SD-CG2 4.49Å; M297-N568 PolarHBondContact O-ND2 3.43Å; M297-V570 CarbonylContact C-O 3.55Å; M297-V570 WeakPolarHBondContact CA-O 3.41Å; M297-V570 WeakPolarHBondContact CB-O 3.42Å; M297-V570 HydrophobicContact CE-CB 4.38Å; M297-V570 HydrophobicContact CE-CG1 3.62Å; M297-H571 VanDerWaalsContact CE-O 3.27Å; M297-H571 WeakPolarHBondContact CE-O 3.47Å; M297-I572 HydrophobicContact CB-CB 4.28Å; M297-I572 HydrophobicContact SD-CG1 4.49Å; M297-W574 HydrophobicContact CE-CB 4.1Å; M297-Q575 HydrophobicContact CE-CG 4.05Å; M297-Q575 HydrophobicContact SD-CG 3.64Å
298N91Very high88.4Confident28 Ų2835.6 Ų35.615%0.1520%0.199CC..BIsolated β-bridgetrans-77.1118.2170.2-179.8-10.5000109A300 F542 N568 V570 I572N298-A300 WeakPolarHBondContact OD1-CB 3.29Å; N298-A300 PolarHBondContact OD1-N 3.39Å; N298-F542 WeakPolarHBondContact OD1-CD2 3.28Å; N298-N568 HydrophobicContact CB-CB 4.45Å; N298-V570 PolarHBondContact N-O 3.14Å; N298-I572 WeakPolarHBondContact O-CB 3.48Å; N298-I572 WeakPolarHBondContact O-CG2 3.37Å; N298-I572 PolarHBondContact O-N 2.72Å
299L89.9Confident88.3Confident6 Ų635.7 Ų35.73%0.03120%0.2CC..  trans-89.6-4.9-173.1-53.3-177.9000113.6A294 M297 T306 I307 P309 D477 F542 I572A294-L299 WeakPolarHBondContact O-CD2 3.46Å; M297-L299 PolarHBondContact O-N 3.48Å; L299-T306 WeakPolarHBondContact O-CA 3.49Å; L299-I307 PolarHBondContact O-N 3.12Å; L299-P309 HydrophobicContact CD1-CG 4.23Å; L299-P309 HydrophobicContact CD2-CG 4.12Å; L299-D477 WeakPolarHBondContact CD1-O 3.42Å; L299-F542 HydrophobicContact CB-CD2 4.38Å; L299-F542 HydrophobicContact CB-CE1 4.33Å; L299-F542 HydrophobicContact CB-CE2 3.95Å; L299-F542 HydrophobicContact CB-CZ 3.92Å; L299-I572 HydrophobicContact CD2-CD1 3.74Å
300A85.9Confident88.2Confident7 Ų735.5 Ų35.56%0.05820%0.199CC..EExtended strand (participates in β ladder)trans-85.5125.1-173.500000112.8N298 F542 H571N298-A300 WeakPolarHBondContact OD1-CB 3.29Å; N298-A300 PolarHBondContact OD1-N 3.39Å; A300-F542 HydrophobicContact CB-CD2 4.46Å; A300-F542 HydrophobicContact CB-CE2 3.57Å; A300-F542 HydrophobicContact CB-CZ 4.4Å; A300-H571 PolarHBondContact O-CD2 3.11Å; A300-H571 PolarHBondContact O-NE2 3.01Å
301F85.4Confident88.1Confident71 Ų7136.3 Ų36.331%0.31120%0.203SC..EExtended strand (participates in β ladder)trans-102.287.1162.5-78.7-100.1000108.7F305 I307 H571 I572 A573F301-F305 HydrophobicContact CB-CB 4.31Å; F301-F305 HydrophobicContact CB-CD1 3.74Å; F301-F305 HydrophobicContact CD2-CD1 4.5Å; F301-F305 HydrophobicContact CG-CD1 4.24Å; F301-F305 PolarHBondContact N-O 3.08Å; F301-I307 HydrophobicContact CD2-CB 4.33Å; F301-I307 HydrophobicContact CD2-CD1 3.77Å; F301-I307 HydrophobicContact CD2-CG1 3.73Å; F301-I307 HydrophobicContact CE2-CB 4.08Å; F301-I307 HydrophobicContact CE2-CD1 3.3Å; F301-I307 HydrophobicContact CE2-CG1 3.67Å; F301-I307 HydrophobicContact CZ-CD1 3.77Å; F301-H571 AromaticContact CD1-CE1 3.98Å; F301-H571 AromaticContact CE1-CE1 3.67Å; F301-H571 AromaticContact CE2-CE1 3.76Å; F301-H571 AromaticContact CZ-CE1 3.56Å; F301-I572 HydrophobicContact CD2-CG2 4.35Å; F301-I572 HydrophobicContact CE2-CG2 3.46Å; F301-I572 VanDerWaalsContact CE2-CG2 3.46Å; F301-I572 HydrophobicContact CZ-CG2 4.09Å; F301-A573 HydrophobicContact CE1-CB 4.4Å; F301-A573 HydrophobicContact CZ-CB 4.14Å
302G78Confident88.1Confident57 Ų5736.6 Ų36.659%0.58820%0.204SC*.THydrogen-bonded Turntrans75.8-153.3-17200000112.4
303E69.9Low88.1Confident184 Ų18437.8 Ų37.886%0.8621%0.21SC*.THydrogen-bonded Turntrans-87.6-26-173.1-65.4-172.4171.100114.1
304S69.8Low88Confident122 Ų12239.3 Ų39.385%0.85322%0.218SC*.THydrogen-bonded Turntrans-119.6-13.5-168.6-48.10000115.4
305F82.3Confident88.1Confident128 Ų12841.1 Ų41.156%0.56123%0.227SC*.EExtended strand (participates in β ladder)trans-110.8125.1-177.9-171.4-116.8000110.6F301 I307F301-F305 HydrophobicContact CB-CB 4.31Å; F301-F305 HydrophobicContact CB-CD1 3.74Å; F301-F305 HydrophobicContact CD2-CD1 4.5Å; F301-F305 HydrophobicContact CG-CD1 4.24Å; F301-F305 PolarHBondContact N-O 3.08Å; F305-I307 HydrophobicContact CD1-CG1 4.23Å; F305-I307 HydrophobicContact CE1-CD1 3.83Å; F305-I307 HydrophobicContact CE1-CG1 3.5Å; F305-I307 HydrophobicContact CZ-CD1 4.48Å; F305-I307 HydrophobicContact CZ-CG1 3.99Å
306T85.3Confident88.1Confident64 Ų6441.9 Ų41.939%0.39323%0.231SC..EExtended strand (participates in β ladder)trans-123.5132.9177.857.50000109.3L299 F542L299-T306 WeakPolarHBondContact O-CA 3.49Å; T306-F542 HydrophobicContact CG2-CZ 3.8Å
307I89.9Confident88Confident32 Ų3241.2 Ų41.216%0.16423%0.229CC..  trans-101126.4174.7-64.2-170.2000108.2L299 F301 F305 Q311 M312 I572L299-I307 PolarHBondContact O-N 3.12Å; F301-I307 HydrophobicContact CD2-CB 4.33Å; F301-I307 HydrophobicContact CD2-CD1 3.77Å; F301-I307 HydrophobicContact CD2-CG1 3.73Å; F301-I307 HydrophobicContact CE2-CB 4.08Å; F301-I307 HydrophobicContact CE2-CD1 3.3Å; F301-I307 HydrophobicContact CE2-CG1 3.67Å; F301-I307 HydrophobicContact CZ-CD1 3.77Å; F305-I307 HydrophobicContact CD1-CG1 4.23Å; F305-I307 HydrophobicContact CE1-CD1 3.83Å; F305-I307 HydrophobicContact CE1-CG1 3.5Å; F305-I307 HydrophobicContact CZ-CD1 4.48Å; F305-I307 HydrophobicContact CZ-CG1 3.99Å; I307-Q311 HydrophobicContact CG2-CB 3.96Å; I307-M312 HydrophobicContact CG2-SD 4.01Å; I307-I572 HydrophobicContact CG2-CD1 4.44Å
308K90.7Very high88Confident21 Ų2145.1 Ų45.19%0.09125%0.25CC..  trans-73.4147.5178-60.3176.3175.163.10110.4P171 D176 D310 Q311P171-K308 HydrophobicContact CB-CD 4.4Å; P171-K308 VanDerWaalsContact O-CD 3.23Å; P171-K308 WeakPolarHBondContact O-CD 3.38Å; D176-K308 VanDerWaalsContact OD1-CE 3.3Å; D176-K308 WeakPolarHBondContact OD1-CE 3.3Å; D176-K308 IonicContact OD1-NZ 3.95Å; D176-K308 PolarHBondContact OD1-NZ 2.94Å; D176-K308 IonicContact OD2-NZ 3.18Å; D176-K308 PolarHBondContact OD2-NZ 3.12Å; K308-D310 VanDerWaalsContact C-N 3.31Å; K308-D310 WeakPolarHBondContact CB-OD1 3.31Å; K308-D310 PolarHBondContact O-N 3.36Å; K308-Q311 HydrophobicContact CB-CG 4.05Å; K308-Q311 WeakPolarHBondContact O-CB 3.24Å; K308-Q311 PolarHBondContact O-N 3.04Å
309P92.3Very high88.2Confident2 Ų244.9 Ų44.91%0.01325%0.248CC..G310 helixtrans-52.6-44.5-175.5-30.637.7000114.5T291 A294 T295 L299 Q311 M312T291-P309 HydrophobicContact CG2-CB 4.33Å; A294-P309 HydrophobicContact CB-CB 3.72Å; T295-P309 HydrophobicContact CG2-CB 3.91Å; T295-P309 HydrophobicContact CG2-CG 3.91Å; L299-P309 HydrophobicContact CD1-CG 4.23Å; L299-P309 HydrophobicContact CD2-CG 4.12Å; P309-Q311 VanDerWaalsContact C-N 3.31Å; P309-Q311 PolarHBondContact O-N 3.41Å; P309-M312 PolarHBondContact O-N 3.05Å
310D93.2Very high88.2Confident0 Ų045.2 Ų45.20%025%0.25CC..G310 helixtrans-71.9-16.3179.649.4-16.2000114V34 L37 P171 R174 T291 K308 M312V34-D310 WeakPolarHBondContact CG1-OD2 3.26Å; L37-D310 HydrophobicContact CD1-CB 4.03Å; P171-D310 WeakPolarHBondContact CB-OD2 3.32Å; P171-D310 HydrophobicContact CG-CB 4.28Å; R174-D310 IonicContact CZ-OD1 2.72Å; R174-D310 IonicContact CZ-OD2 3.65Å; R174-D310 IonicContact NE-OD2 2.73Å; R174-D310 PolarHBondContact NE-OD2 2.9Å; R174-D310 VanDerWaalsContact NH2-CG 3.28Å; R174-D310 IonicContact NH2-OD1 3.19Å; R174-D310 PolarHBondContact NH2-OD1 3.48Å; R174-D310 IonicContact NH2-OD2 3.74Å; R174-D310 PolarHBondContact NH2-OD2 2.82Å; T291-D310 HydrophobicContact CG2-CB 4.12Å; K308-D310 VanDerWaalsContact C-N 3.31Å; K308-D310 WeakPolarHBondContact CB-OD1 3.31Å; K308-D310 PolarHBondContact O-N 3.36Å; D310-M312 VanDerWaalsContact C-N 3.28Å; D310-M312 PolarHBondContact O-N 3.39Å
311Q94.4Very high88.4Confident17 Ų1748.9 Ų48.98%0.07927%0.268CS..G310 helixtrans-73.7-17.4173.6-68.5-178.9-58.500113.1L168 P171 I172 I307 K308 P309 Q313 L314L168-Q311 PolarHBondContact O-NE2 3.24Å; P171-Q311 HydrophobicContact CB-CG 3.51Å; P171-Q311 HydrophobicContact CG-CG 3.91Å; I172-Q311 VanDerWaalsContact CG1-NE2 3.32Å; I307-Q311 HydrophobicContact CG2-CB 3.96Å; K308-Q311 HydrophobicContact CB-CG 4.05Å; K308-Q311 WeakPolarHBondContact O-CB 3.24Å; K308-Q311 PolarHBondContact O-N 3.04Å; P309-Q311 VanDerWaalsContact C-N 3.31Å; P309-Q311 PolarHBondContact O-N 3.41Å; Q311-Q313 PolarHBondContact O-N 2.91Å; Q311-Q313 VanDerWaalsContact O-N 3.14Å; Q311-L314 WeakPolarHBondContact O-CB 2.92Å; Q311-L314 PolarHBondContact O-N 3.4Å
312M94.1Very high88.7Confident7 Ų748.6 Ų48.63%0.03427%0.272CS..G310 helixtrans-62.3-22.4178.4-67.3-59.5-7400112.9I307 P309 D310 L314 L315 I572 Q575 Y579I307-M312 HydrophobicContact CG2-SD 4.01Å; P309-M312 PolarHBondContact O-N 3.05Å; D310-M312 VanDerWaalsContact C-N 3.28Å; D310-M312 PolarHBondContact O-N 3.39Å; M312-L314 PolarHBondContact O-N 2.84Å; M312-L315 HydrophobicContact CE-CD1 3.49Å; M312-L315 VanDerWaalsContact CE-CD1 3.49Å; M312-L315 WeakPolarHBondContact O-CB 3.15Å; M312-L315 WeakPolarHBondContact O-CG 3.49Å; M312-L315 PolarHBondContact O-N 3.29Å; M312-L315 HydrophobicContact SD-CD1 4.31Å; M312-I572 HydrophobicContact CE-CG1 4.01Å; M312-I572 HydrophobicContact CG-CD1 3.52Å; M312-I572 HydrophobicContact CG-CG1 3.9Å; M312-I572 HydrophobicContact SD-CD1 3.77Å; M312-I572 HydrophobicContact SD-CG1 3.83Å; M312-Q575 HydrophobicContact CE-CB 3.82Å; M312-Y579 HydrophobicContact CB-CE2 3.9Å
313Q93.6Very high89.6Confident26 Ų2647.7 Ų47.712%0.12125%0.252CS..G310 helixtrans-60.6-23.5173.7-62.3179.846.300113A33 T167 T291 Q311 L315 N316A33-Q313 PolarHBondContact O-NE2 2.72Å; A33-Q313 VanDerWaalsContact O-NE2 3.14Å; T167-Q313 HydrophobicContact CG2-CB 4.29Å; T291-Q313 PolarHBondContact OG1-NE2 3.48Å; Q311-Q313 PolarHBondContact O-N 2.91Å; Q311-Q313 VanDerWaalsContact O-N 3.14Å; Q313-L315 PolarHBondContact O-N 3Å; Q313-N316 PolarHBondContact O-N 3.5Å
314L93.9Very high90.5Very high32 Ų3240.4 Ų40.417%0.16822%0.22CC..Hα-helixtrans-55.9-34.9173174.462.7000112.4V164 L168 Q311 M312 N316 A317 L318V164-L314 HydrophobicContact CB-CD1 3.77Å; V164-L314 HydrophobicContact CG1-CD1 3.42Å; V164-L314 VanDerWaalsContact CG1-CD1 3.42Å; V164-L314 HydrophobicContact CG2-CD1 3.96Å; V164-L314 WeakPolarHBondContact O-CD1 2.98Å; L168-L314 HydrophobicContact CB-CD2 4.48Å; L168-L314 HydrophobicContact CD1-CD2 4.29Å; Q311-L314 WeakPolarHBondContact O-CB 2.92Å; Q311-L314 PolarHBondContact O-N 3.4Å; M312-L314 PolarHBondContact O-N 2.84Å; L314-N316 VanDerWaalsContact C-N 3.26Å; L314-N316 PolarHBondContact O-N 3.49Å; L314-A317 PolarHBondContact O-N 3.16Å; L314-L318 PolarHBondContact O-N 3.07Å; L314-L318 VanDerWaalsContact O-N 3.1Å
315L94.5Very high91.6Very high38 Ų3837.3 Ų37.320%0.19920%0.197CC..Hα-helixtrans-58.7-39.6-175.8-68.2179.1000111.5M312 Q313 A317 L318 L319 I576 Y579M312-L315 HydrophobicContact CE-CD1 3.49Å; M312-L315 VanDerWaalsContact CE-CD1 3.49Å; M312-L315 WeakPolarHBondContact O-CB 3.15Å; M312-L315 WeakPolarHBondContact O-CG 3.49Å; M312-L315 PolarHBondContact O-N 3.29Å; M312-L315 HydrophobicContact SD-CD1 4.31Å; Q313-L315 PolarHBondContact O-N 3Å; L315-A317 PolarHBondContact O-N 3.5Å; L315-L318 PolarHBondContact O-N 3.28Å; L315-L319 HydrophobicContact CB-CD1 4.24Å; L315-L319 WeakPolarHBondContact O-CB 3.26Å; L315-L319 WeakPolarHBondContact O-CD1 3.47Å; L315-L319 WeakPolarHBondContact O-CG 3.17Å; L315-L319 PolarHBondContact O-N 2.77Å; L315-I576 HydrophobicContact CD1-CG1 3.92Å; L315-Y579 HydrophobicContact CB-CD1 4.19Å; L315-Y579 HydrophobicContact CB-CG 4.09Å; L315-Y579 HydrophobicContact CD1-CD2 3.98Å; L315-Y579 HydrophobicContact CD1-CG 4.18Å
316N92.4Very high92.2Very high20 Ų2034.1 Ų34.111%0.10719%0.185CC..Hα-helixtrans-60-52.8-179.3-167.764.3000111.2Q313 L314 L318 L319 I320 Y579 T583 E586Q313-N316 PolarHBondContact O-N 3.5Å; L314-N316 VanDerWaalsContact C-N 3.26Å; L314-N316 PolarHBondContact O-N 3.49Å; N316-L318 VanDerWaalsContact C-N 3.33Å; N316-L318 PolarHBondContact O-N 3.43Å; N316-L319 PolarHBondContact O-N 3.26Å; N316-I320 VanDerWaalsContact O-CG1 3.29Å; N316-I320 WeakPolarHBondContact O-CG1 3.28Å; N316-I320 PolarHBondContact O-N 3.43Å; N316-Y579 HydrophobicContact CB-CD1 4.4Å; N316-T583 PolarHBondContact OD1-OG1 3.3Å; N316-E586 PolarHBondContact ND2-OE2 3.4Å; N316-E586 PolarHBondContact OD1-OE2 3.43Å
317A89.2Confident92.6Very high3 Ų331.7 Ų31.73%0.02517%0.169CC..Hα-helixtrans-63-39.2-178.700000112.4V164 L314 L315 L321V164-A317 HydrophobicContact CG2-CB 3.68Å; L314-A317 PolarHBondContact O-N 3.16Å; L315-A317 PolarHBondContact O-N 3.5Å; A317-L321 PolarHBondContact O-N 3.22Å
318L92.6Very high92.6Very high83 Ų8334.3 Ų34.344%0.43518%0.184SC..Hα-helixtrans-66.4-45.2176.5-172.8151.9000111.6L314 L315 N316 I320 L321 V322L314-L318 PolarHBondContact O-N 3.07Å; L314-L318 VanDerWaalsContact O-N 3.1Å; L315-L318 PolarHBondContact O-N 3.28Å; N316-L318 VanDerWaalsContact C-N 3.33Å; N316-L318 PolarHBondContact O-N 3.43Å; L318-I320 VanDerWaalsContact C-N 3.35Å; L318-I320 PolarHBondContact O-N 3.28Å; L318-L321 PolarHBondContact O-N 3.37Å; L318-V322 HydrophobicContact CD2-CG2 4.36Å; L318-V322 PolarHBondContact O-N 3.43Å
319L94.8Very high92.6Very high23 Ų2339.6 Ų39.612%0.1221%0.212CC..Hα-helixtrans-68.1-33-178.9-70.9169.3000111.9L315 N316 L321 V322 F323 A580 T583L315-L319 HydrophobicContact CB-CD1 4.24Å; L315-L319 WeakPolarHBondContact O-CB 3.26Å; L315-L319 WeakPolarHBondContact O-CD1 3.47Å; L315-L319 WeakPolarHBondContact O-CG 3.17Å; L315-L319 PolarHBondContact O-N 2.77Å; N316-L319 PolarHBondContact O-N 3.26Å; L319-L321 VanDerWaalsContact C-N 3.35Å; L319-L321 PolarHBondContact O-N 2.91Å; L319-V322 PolarHBondContact O-N 2.81Å; L319-F323 HydrophobicContact CB-CD2 4.37Å; L319-F323 HydrophobicContact CB-CE2 4.24Å; L319-F323 HydrophobicContact CD2-CE1 4.14Å; L319-F323 HydrophobicContact CD2-CE2 4.37Å; L319-F323 HydrophobicContact CD2-CZ 3.89Å; L319-F323 VanDerWaalsContact O-CB 3.22Å; L319-F323 WeakPolarHBondContact O-CB 3.34Å; L319-F323 VanDerWaalsContact O-CG 3.3Å; L319-F323 WeakPolarHBondContact O-CG 3.41Å; L319-F323 PolarHBondContact O-N 2.91Å; L319-A580 HydrophobicContact CD1-CB 4.33Å; L319-T583 HydrophobicContact CB-CG2 3.71Å
320I90.5Very high92.7Very high13 Ų1344 Ų447%0.06723%0.234CC..Hα-helixtrans-58-49172.6-70.9170.8000110.3Y156 N316 L318 V322 F323 V324 T583 E586Y156-I320 WeakPolarHBondContact OH-CG2 3.12Å; N316-I320 VanDerWaalsContact O-CG1 3.29Å; N316-I320 WeakPolarHBondContact O-CG1 3.28Å; N316-I320 PolarHBondContact O-N 3.43Å; L318-I320 VanDerWaalsContact C-N 3.35Å; L318-I320 PolarHBondContact O-N 3.28Å; I320-V322 PolarHBondContact O-N 3.25Å; I320-F323 PolarHBondContact O-N 3.36Å; I320-V324 HydrophobicContact CG2-CG2 3.93Å; I320-V324 WeakPolarHBondContact O-CB 3.46Å; I320-V324 VanDerWaalsContact O-CG2 3.28Å; I320-V324 WeakPolarHBondContact O-CG2 3.38Å; I320-V324 PolarHBondContact O-N 3.09Å; I320-T583 HydrophobicContact CB-CG2 4.34Å; I320-T583 HydrophobicContact CG1-CG2 3.52Å; I320-E586 VanDerWaalsContact CD1-OE2 3.28Å; I320-E586 WeakPolarHBondContact CD1-OE2 3.19Å
321L88.8Confident92.7Very high84 Ų8446.8 Ų46.844%0.4425%0.249SC..Hα-helixtrans-60.1-28.9-179.3-67.8173.9000112.7N160 A317 L318 L319 P325N160-L321 HydrophobicContact CB-CD1 4.17Å; N160-L321 HydrophobicContact CB-CD2 3.86Å; N160-L321 HydrophobicContact CB-CG 4.21Å; A317-L321 PolarHBondContact O-N 3.22Å; L318-L321 PolarHBondContact O-N 3.37Å; L319-L321 VanDerWaalsContact C-N 3.35Å; L319-L321 PolarHBondContact O-N 2.91Å; L321-P325 VanDerWaalsContact O-CD 3.22Å; L321-P325 WeakPolarHBondContact O-CD 3.31Å; L321-P325 WeakPolarHBondContact O-CG 3.13Å
322V93.5Very high92.5Very high65 Ų6547.4 Ų47.439%0.39425%0.25SS..Hα-helixtrans-86.5-43177.6176.80000111.6L318 L319 I320 P325 I326L318-V322 HydrophobicContact CD2-CG2 4.36Å; L318-V322 PolarHBondContact O-N 3.43Å; L319-V322 PolarHBondContact O-N 2.81Å; I320-V322 PolarHBondContact O-N 3.25Å; V322-P325 WeakPolarHBondContact O-CD 3.31Å; V322-P325 VanDerWaalsContact O-CG 3.31Å; V322-P325 WeakPolarHBondContact O-CG 3.44Å; V322-I326 HydrophobicContact CG1-CD1 3.64Å; V322-I326 WeakPolarHBondContact O-CD1 3.43Å; V322-I326 VanDerWaalsContact O-CG1 3.24Å; V322-I326 WeakPolarHBondContact O-CG1 3.45Å; V322-I326 PolarHBondContact O-N 3.38Å
323F94.9Very high92.3Very high37 Ų3750.1 Ų50.116%0.16227%0.269CS..Hα-helixtrans-76.9-37.6-173-73.4-4.7000112.9L319 I320 I326 F327 A580 T583 A584 V587L319-F323 HydrophobicContact CB-CD2 4.37Å; L319-F323 HydrophobicContact CB-CE2 4.24Å; L319-F323 HydrophobicContact CD2-CE1 4.14Å; L319-F323 HydrophobicContact CD2-CE2 4.37Å; L319-F323 HydrophobicContact CD2-CZ 3.89Å; L319-F323 VanDerWaalsContact O-CB 3.22Å; L319-F323 WeakPolarHBondContact O-CB 3.34Å; L319-F323 VanDerWaalsContact O-CG 3.3Å; L319-F323 WeakPolarHBondContact O-CG 3.41Å; L319-F323 PolarHBondContact O-N 2.91Å; I320-F323 PolarHBondContact O-N 3.36Å; F323-I326 HydrophobicContact CD1-CD1 4.41Å; F323-I326 PolarHBondContact O-N 2.66Å; F323-I326 VanDerWaalsContact O-N 3.13Å; F323-F327 HydrophobicContact CB-CD2 4.04Å; F323-F327 HydrophobicContact CB-CE2 4.22Å; F323-F327 HydrophobicContact CG-CE2 4.4Å; F323-F327 WeakPolarHBondContact O-CB 3.46Å; F323-F327 VanDerWaalsContact O-CD2 3.29Å; F323-F327 WeakPolarHBondContact O-CD2 3.23Å; F323-F327 PolarHBondContact O-N 3.11Å; F323-A580 HydrophobicContact CE2-CB 4.34Å; F323-A580 WeakPolarHBondContact CE2-O 3.36Å; F323-A580 HydrophobicContact CZ-CB 4.16Å; F323-T583 HydrophobicContact CD2-CG2 3.98Å; F323-T583 HydrophobicContact CE2-CG2 4.5Å; F323-A584 HydrophobicContact CD2-CB 4.16Å; F323-A584 HydrophobicContact CE2-CB 4.15Å; F323-V587 HydrophobicContact CB-CG2 4.06Å
324V90.6Very high92.2Very high32 Ų3253.5 Ų53.519%0.19429%0.287CS..Hα-helixtrans-50.7-56.3176.51710000112.1I320 I326 F327 D328 V587 I591I320-V324 HydrophobicContact CG2-CG2 3.93Å; I320-V324 WeakPolarHBondContact O-CB 3.46Å; I320-V324 VanDerWaalsContact O-CG2 3.28Å; I320-V324 WeakPolarHBondContact O-CG2 3.38Å; I320-V324 PolarHBondContact O-N 3.09Å; V324-I326 PolarHBondContact O-N 2.9Å; V324-F327 PolarHBondContact O-N 3.08Å; V324-D328 PolarHBondContact O-N 3.35Å; V324-V587 HydrophobicContact CG2-CG1 4.38Å; V324-V587 HydrophobicContact CG2-CG2 3.96Å; V324-I591 HydrophobicContact CG2-CD1 3.45Å; V324-I591 VanDerWaalsContact CG2-CD1 3.45Å
325P91.9Very high91.9Very high57 Ų5753.9 Ų53.937%0.3729%0.291SS..Hα-helixtrans-66.6-33.8178.425.3-33.4000113.1L321 V322 L329L321-P325 VanDerWaalsContact O-CD 3.22Å; L321-P325 WeakPolarHBondContact O-CD 3.31Å; L321-P325 WeakPolarHBondContact O-CG 3.13Å; V322-P325 WeakPolarHBondContact O-CD 3.31Å; V322-P325 VanDerWaalsContact O-CG 3.31Å; V322-P325 WeakPolarHBondContact O-CG 3.44Å; P325-L329 HydrophobicContact CB-CD1 4.27Å; P325-L329 WeakPolarHBondContact O-CB 3.35Å; P325-L329 VanDerWaalsContact O-CG 3.32Å; P325-L329 WeakPolarHBondContact O-CG 3.43Å; P325-L329 PolarHBondContact O-N 2.82Å
326I95.3Very high91.6Very high61 Ų6154.2 Ų54.231%0.31330%0.303SS..Hα-helixtrans-63.8-45.2176.3-71.3173000111V322 F323 V324 I330 I331V322-I326 HydrophobicContact CG1-CD1 3.64Å; V322-I326 WeakPolarHBondContact O-CD1 3.43Å; V322-I326 VanDerWaalsContact O-CG1 3.24Å; V322-I326 WeakPolarHBondContact O-CG1 3.45Å; V322-I326 PolarHBondContact O-N 3.38Å; F323-I326 HydrophobicContact CD1-CD1 4.41Å; F323-I326 PolarHBondContact O-N 2.66Å; F323-I326 VanDerWaalsContact O-N 3.13Å; V324-I326 PolarHBondContact O-N 2.9Å; I326-I330 WeakPolarHBondContact O-CA 3.15Å; I326-I330 VanDerWaalsContact O-CB 3.25Å; I326-I330 WeakPolarHBondContact O-CB 3.4Å; I326-I330 PolarHBondContact O-N 3.45Å; I326-I331 HydrophobicContact CG2-CD1 4.01Å; I326-I331 HydrophobicContact CG2-CG1 4.06Å; I326-I331 PolarHBondContact O-N 3.22Å
327F93.4Very high91.4Very high13 Ų1360 Ų606%0.05733%0.333CS..Iπ-helixtrans-66.1-45.8-179.6-88.4-93.8000111.2F323 V324 I331 Y332 A584 V587 M588F323-F327 HydrophobicContact CB-CD2 4.04Å; F323-F327 HydrophobicContact CB-CE2 4.22Å; F323-F327 HydrophobicContact CG-CE2 4.4Å; F323-F327 WeakPolarHBondContact O-CB 3.46Å; F323-F327 VanDerWaalsContact O-CD2 3.29Å; F323-F327 WeakPolarHBondContact O-CD2 3.23Å; F323-F327 PolarHBondContact O-N 3.11Å; V324-F327 PolarHBondContact O-N 3.08Å; F327-I331 HydrophobicContact CD1-CB 4.22Å; F327-I331 HydrophobicContact CD1-CD1 3.93Å; F327-I331 HydrophobicContact CD1-CG2 4.24Å; F327-I331 HydrophobicContact CD2-CD1 4.06Å; F327-I331 HydrophobicContact CE1-CD1 3.82Å; F327-I331 HydrophobicContact CE1-CG2 4.39Å; F327-I331 HydrophobicContact CE2-CD1 3.97Å; F327-I331 HydrophobicContact CG-CD1 4.06Å; F327-I331 HydrophobicContact CZ-CD1 3.85Å; F327-I331 PolarHBondContact O-N 3.5Å; F327-Y332 HydrophobicContact CB-CE2 3.99Å; F327-Y332 AromaticContact CD1-CE1 3.82Å; F327-Y332 HydrophobicContact CD1-CE1 3.82Å; F327-Y332 AromaticContact CD1-CZ 3.84Å; F327-Y332 WeakPolarHBondContact O-CB 3.29Å; F327-Y332 WeakPolarHBondContact O-CD2 3.44Å; F327-Y332 VanDerWaalsContact O-CG 3.22Å; F327-Y332 PolarHBondContact O-N 3.41Å; F327-A584 HydrophobicContact CE2-CB 4.07Å; F327-A584 HydrophobicContact CZ-CB 3.92Å; F327-V587 HydrophobicContact CB-CG1 4.05Å; F327-V587 HydrophobicContact CD2-CG1 4.16Å; F327-V587 HydrophobicContact CG-CG1 4.06Å; F327-M588 HydrophobicContact CD1-CG 4.07Å; F327-M588 HydrophobicContact CD1-SD 4.45Å; F327-M588 HydrophobicContact CE1-CG 3.69Å; F327-M588 HydrophobicContact CE1-SD 3.65Å; F327-M588 HydrophobicContact CZ-CG 4.36Å; F327-M588 HydrophobicContact CZ-SD 4.33Å
328D89Confident91.3Very high87 Ų8764.1 Ų64.147%0.46536%0.361SS..Iπ-helixtrans-73.2-41.4-176.9-74.1-24000113.9V324 Y332 P333V324-D328 PolarHBondContact O-N 3.35Å; D328-Y332 WeakPolarHBondContact OD1-CD2 3.4Å; D328-Y332 VanDerWaalsContact OD1-CE2 3.23Å; D328-Y332 WeakPolarHBondContact OD1-CE2 3.25Å; D328-P333 VanDerWaalsContact O-CD 3.28Å; D328-P333 WeakPolarHBondContact O-CD 3.39Å; D328-P333 WeakPolarHBondContact O-CG 3.45Å
329L91.9Very high91Very high132 Ų13271.2 Ų71.269%0.69138%0.382SS*.Iπ-helixtrans-93.5-22.9-173.1-56177.8000113.4P325P325-L329 HydrophobicContact CB-CD1 4.27Å; P325-L329 WeakPolarHBondContact O-CB 3.35Å; P325-L329 VanDerWaalsContact O-CG 3.32Å; P325-L329 WeakPolarHBondContact O-CG 3.43Å; P325-L329 PolarHBondContact O-N 2.82Å
330I94.1Very high90.5Very high93 Ų9374.9 Ų74.948%0.47740%0.401SS..Iπ-helixtrans-119.4-62.6-173.7-53.3174.3000110.6I326 P333 L334I326-I330 WeakPolarHBondContact O-CA 3.15Å; I326-I330 VanDerWaalsContact O-CB 3.25Å; I326-I330 WeakPolarHBondContact O-CB 3.4Å; I326-I330 PolarHBondContact O-N 3.45Å; I330-P333 WeakPolarHBondContact O-CD 3.26Å; I330-L334 HydrophobicContact CG2-CD1 3.67Å; I330-L334 HydrophobicContact CG2-CG 4.45Å; I330-L334 WeakPolarHBondContact O-CB 3.48Å; I330-L334 WeakPolarHBondContact O-CG 3.33Å; I330-L334 PolarHBondContact O-N 2.97Å
331I92.8Very high90.1Very high60 Ų6082.8 Ų82.831%0.30844%0.435SS..Iπ-helixtrans-67-52.9-169.4-59.3-174.8000112I326 F327 L334 V335I326-I331 HydrophobicContact CG2-CD1 4.01Å; I326-I331 HydrophobicContact CG2-CG1 4.06Å; I326-I331 PolarHBondContact O-N 3.22Å; F327-I331 HydrophobicContact CD1-CB 4.22Å; F327-I331 HydrophobicContact CD1-CD1 3.93Å; F327-I331 HydrophobicContact CD1-CG2 4.24Å; F327-I331 HydrophobicContact CD2-CD1 4.06Å; F327-I331 HydrophobicContact CE1-CD1 3.82Å; F327-I331 HydrophobicContact CE1-CG2 4.39Å; F327-I331 HydrophobicContact CE2-CD1 3.97Å; F327-I331 HydrophobicContact CG-CD1 4.06Å; F327-I331 HydrophobicContact CZ-CD1 3.85Å; F327-I331 PolarHBondContact O-N 3.5Å; I331-L334 PolarHBondContact O-N 2.95Å; I331-V335 HydrophobicContact CG2-CG2 4.34Å; I331-V335 WeakPolarHBondContact O-CG2 3.41Å; I331-V335 PolarHBondContact O-N 3.23Å
332Y90.6Very high89.9Confident29 Ų2981.5 Ų81.511%0.11443%0.427CS..Hα-helixtrans-62.9-42.8-177.6-58.5-35.1000112.8F327 D328 V335 G336 I342 K347F327-Y332 HydrophobicContact CB-CE2 3.99Å; F327-Y332 AromaticContact CD1-CE1 3.82Å; F327-Y332 HydrophobicContact CD1-CE1 3.82Å; F327-Y332 AromaticContact CD1-CZ 3.84Å; F327-Y332 WeakPolarHBondContact O-CB 3.29Å; F327-Y332 WeakPolarHBondContact O-CD2 3.44Å; F327-Y332 VanDerWaalsContact O-CG 3.22Å; F327-Y332 PolarHBondContact O-N 3.41Å; D328-Y332 WeakPolarHBondContact OD1-CD2 3.4Å; D328-Y332 VanDerWaalsContact OD1-CE2 3.23Å; D328-Y332 WeakPolarHBondContact OD1-CE2 3.25Å; Y332-V335 PolarHBondContact O-N 3.27Å; Y332-G336 PolarHBondContact O-N 3.41Å; Y332-I342 HydrophobicContact CD1-CD1 4.06Å; Y332-K347 HydrophobicContact CE1-CD 4.01Å; Y332-K347 HydrophobicContact CE1-CG 4.48Å; Y332-K347 HydrophobicContact CE2-CD 4.36Å; Y332-K347 VanDerWaalsContact CE2-NZ 3.25Å
333P90Very high89.7Confident64 Ų6480.8 Ų80.842%0.41642%0.423SS..Hα-helixtrans-60.2-44.1172.5-27.737.7000113.4D328 I330 V335 G336 L337D328-P333 VanDerWaalsContact O-CD 3.28Å; D328-P333 WeakPolarHBondContact O-CD 3.39Å; D328-P333 WeakPolarHBondContact O-CG 3.45Å; I330-P333 WeakPolarHBondContact O-CD 3.26Å; P333-V335 PolarHBondContact O-N 2.94Å; P333-G336 CarbonylContact O-C 3.56Å; P333-G336 WeakPolarHBondContact O-CA 3.43Å; P333-G336 PolarHBondContact O-N 3.28Å; P333-G336 VanDerWaalsContact O-N 3.1Å; P333-L337 PolarHBondContact O-N 3.39Å
334L90.8Very high89.5Confident97 Ų9781.1 Ų81.151%0.50843%0.43SS..Hα-helixtrans-62-42.8178.4-74175.4000112.3I330 I331 G336 L337 C338I330-L334 HydrophobicContact CG2-CD1 3.67Å; I330-L334 HydrophobicContact CG2-CG 4.45Å; I330-L334 WeakPolarHBondContact O-CB 3.48Å; I330-L334 WeakPolarHBondContact O-CG 3.33Å; I330-L334 PolarHBondContact O-N 2.97Å; I331-L334 PolarHBondContact O-N 2.95Å; L334-G336 VanDerWaalsContact C-N 3.26Å; L334-G336 PolarHBondContact O-N 3.06Å; L334-L337 HydrophobicContact CD2-CD1 4.09Å; L334-L337 WeakPolarHBondContact O-CB 3.46Å; L334-L337 PolarHBondContact O-N 3.2Å; L334-L337 VanDerWaalsContact O-N 3.14Å; L334-C338 PolarHBondContact O-N 3.06Å
335V89.4Confident89.7Confident41 Ų4179.9 Ų79.925%0.24842%0.422CS..Hα-helixtrans-67.3-32.1175.2-179.80000111.3I331 Y332 P333 L337 C338 I340 I342I331-V335 HydrophobicContact CG2-CG2 4.34Å; I331-V335 WeakPolarHBondContact O-CG2 3.41Å; I331-V335 PolarHBondContact O-N 3.23Å; Y332-V335 PolarHBondContact O-N 3.27Å; P333-V335 PolarHBondContact O-N 2.94Å; V335-L337 VanDerWaalsContact C-N 3.3Å; V335-L337 PolarHBondContact O-N 3.42Å; V335-C338 WeakPolarHBondContact O-CB 3.35Å; V335-C338 PolarHBondContact O-N 3.48Å; V335-C338 VanDerWaalsContact O-N 3.11Å; V335-I340 HydrophobicContact CG1-CB 3.84Å; V335-I340 HydrophobicContact CG1-CD1 4.35Å; V335-I340 HydrophobicContact CG1-CG2 4.19Å; V335-I342 HydrophobicContact CB-CD1 3.75Å; V335-I342 HydrophobicContact CB-CG1 4.47Å; V335-I342 HydrophobicContact CG1-CD1 3.53Å; V335-I342 HydrophobicContact CG1-CG1 3.8Å; V335-I342 HydrophobicContact CG2-CD1 4.28Å
336G86.4Confident89.7Confident44 Ų4484 Ų8445%0.45443%0.43SS..Hα-helixtrans-59.6-38.2170.300000113Y332 P333 L334 C338 R339Y332-G336 PolarHBondContact O-N 3.41Å; P333-G336 CarbonylContact O-C 3.56Å; P333-G336 WeakPolarHBondContact O-CA 3.43Å; P333-G336 PolarHBondContact O-N 3.28Å; P333-G336 VanDerWaalsContact O-N 3.1Å; L334-G336 VanDerWaalsContact C-N 3.26Å; L334-G336 PolarHBondContact O-N 3.06Å; G336-C338 PolarHBondContact O-N 3.03Å; G336-R339 PolarHBondContact O-N 3.13Å
337L88.4Confident89.7Confident141 Ų14182.7 Ų82.774%0.73842%0.422SS*.Hα-helixtrans-63.1-31.7173.9-64.2174.1000112.1P333 L334 V335 R339P333-L337 PolarHBondContact O-N 3.39Å; L334-L337 HydrophobicContact CD2-CD1 4.09Å; L334-L337 WeakPolarHBondContact O-CB 3.46Å; L334-L337 PolarHBondContact O-N 3.2Å; L334-L337 VanDerWaalsContact O-N 3.14Å; V335-L337 VanDerWaalsContact C-N 3.3Å; V335-L337 PolarHBondContact O-N 3.42Å; L337-R339 PolarHBondContact O-N 2.9Å; L337-R339 VanDerWaalsContact O-N 3.15Å
338C87.9Confident89.8Confident91 Ų9182.2 Ų82.262%0.61542%0.42SS*.THydrogen-bonded Turntrans-74.58.5173.8-61.60000114L334 V335 G336 I340L334-C338 PolarHBondContact O-N 3.06Å; V335-C338 WeakPolarHBondContact O-CB 3.35Å; V335-C338 PolarHBondContact O-N 3.48Å; V335-C338 VanDerWaalsContact O-N 3.11Å; G336-C338 PolarHBondContact O-N 3.03Å; C338-I340 HydrophobicContact CB-CD1 4.38Å; C338-I340 HydrophobicContact CB-CG1 4.41Å; C338-I340 PolarHBondContact O-N 3.49Å; C338-I340 VanDerWaalsContact O-N 3.17Å
339R85.3Confident90.1Very high232 Ų23278.6 Ų78.688%0.87540%0.402SS*.THydrogen-bonded Turntrans59.718.3-178.3-58.8-176175.9175.6-0.7114.9G336 L337G336-R339 PolarHBondContact O-N 3.13Å; L337-R339 PolarHBondContact O-N 2.9Å; L337-R339 VanDerWaalsContact O-N 3.15Å
340I85.4Confident90.3Very high99 Ų9974.9 Ų74.951%0.50839%0.385SS..  trans-88.2113.9176-60173.5000108.6V335 C338 I342V335-I340 HydrophobicContact CG1-CB 3.84Å; V335-I340 HydrophobicContact CG1-CD1 4.35Å; V335-I340 HydrophobicContact CG1-CG2 4.19Å; C338-I340 HydrophobicContact CB-CD1 4.38Å; C338-I340 HydrophobicContact CB-CG1 4.41Å; C338-I340 PolarHBondContact O-N 3.49Å; C338-I340 VanDerWaalsContact O-N 3.17Å; I340-I342 PolarHBondContact O-N 3.49Å
341K80.9Confident90.5Very high179 Ų17970.5 Ų70.578%0.77836%0.362SS*.  trans-73.4107.2172.1-70-173.3-179.3-178.40110T343 R346K341-T343 PolarHBondContact O-N 3.45Å; K341-R346 PolarHBondContact O-NH1 2.92Å
342I84.8Confident90.7Very high57 Ų5767.6 Ų67.629%0.29235%0.348SS..  trans-87.2104.4173.5-52.1-175.4000109.2Y332 V335 I340 K347Y332-I342 HydrophobicContact CD1-CD1 4.06Å; V335-I342 HydrophobicContact CB-CD1 3.75Å; V335-I342 HydrophobicContact CB-CG1 4.47Å; V335-I342 HydrophobicContact CG1-CD1 3.53Å; V335-I342 HydrophobicContact CG1-CG1 3.8Å; V335-I342 HydrophobicContact CG2-CD1 4.28Å; I340-I342 PolarHBondContact O-N 3.49Å; I342-K347 HydrophobicContact CG2-CB 4.46Å; I342-K347 HydrophobicContact CG2-CD 4.05Å; I342-K347 HydrophobicContact CG2-CG 3.23Å
343T90.3Very high91.1Very high50 Ų5069.8 Ų69.831%0.30736%0.36SS..  trans-81.3157.4170.760.40000110.9K341 L345 R346 K347K341-T343 PolarHBondContact O-N 3.45Å; T343-L345 VanDerWaalsContact C-N 3.3Å; T343-L345 PolarHBondContact O-N 2.87Å; T343-R346 WeakPolarHBondContact O-CB 3.46Å; T343-R346 PolarHBondContact O-N 3.12Å; T343-R346 WeakPolarHBondContact OG1-CD 3.24Å; T343-R346 VanDerWaalsContact OG1-CG 3.28Å; T343-R346 WeakPolarHBondContact OG1-CG 3.26Å; T343-R346 PolarHBondContact OG1-N 3.18Å; T343-K347 PolarHBondContact O-N 3.06Å
344P90.8Very high91.5Very high45 Ų4569.6 Ų69.629%0.29235%0.353SS..Hα-helixtrans-53.3-44.7177.6-28.635.9000113.3R346 K347 M348 T592 F596P344-R346 VanDerWaalsContact C-N 3.31Å; P344-R346 PolarHBondContact O-N 2.84Å; P344-K347 WeakPolarHBondContact O-CB 3.48Å; P344-K347 PolarHBondContact O-N 3.09Å; P344-K347 VanDerWaalsContact O-N 3.14Å; P344-M348 WeakPolarHBondContact O-CG 3.45Å; P344-M348 PolarHBondContact O-N 2.98Å; P344-T592 HydrophobicContact CB-CG2 3.68Å; P344-F596 HydrophobicContact CB-CB 4.1Å; P344-F596 HydrophobicContact CB-CD2 4.13Å; P344-F596 HydrophobicContact CB-CG 4.46Å
345L93.4Very high91.8Very high6 Ų665 Ų653%0.03133%0.329CS..Hα-helixtrans-64.5-33.5177.7-59.5177.8000112.8L272 T343 M348 A349 F596 F653 A657 Y660 Y662L272-L345 HydrophobicContact CD1-CD1 4.31Å; L272-L345 HydrophobicContact CD1-CD2 4.03Å; T343-L345 VanDerWaalsContact C-N 3.3Å; T343-L345 PolarHBondContact O-N 2.87Å; L345-M348 HydrophobicContact CD2-SD 4.21Å; L345-M348 PolarHBondContact O-N 3.47Å; L345-A349 PolarHBondContact O-N 3.19Å; L345-F596 HydrophobicContact CD2-CD1 4.31Å; L345-F596 HydrophobicContact CD2-CD2 4.34Å; L345-F596 HydrophobicContact CD2-CE1 3.95Å; L345-F596 HydrophobicContact CD2-CE2 3.98Å; L345-F596 HydrophobicContact CD2-CG 4.49Å; L345-F596 HydrophobicContact CD2-CZ 3.77Å; L345-F596 HydrophobicContact CG-CE2 4.22Å; L345-F596 HydrophobicContact CG-CZ 4.4Å; L345-F653 HydrophobicContact CD2-CZ 3.96Å; L345-F653 WeakPolarHBondContact O-CE1 3.48Å; L345-A657 HydrophobicContact CB-CB 3.88Å; L345-A657 HydrophobicContact CD1-CB 3.82Å; L345-A657 HydrophobicContact CG-CB 4.37Å; L345-Y660 HydrophobicContact CD1-CD1 3.86Å; L345-Y660 HydrophobicContact CD1-CG 4.09Å; L345-Y662 HydrophobicContact CD1-CE2 4.45Å; L345-Y662 WeakPolarHBondContact CG-OH 3.26Å
346R93.1Very high92.3Very high144 Ų14463.4 Ų63.454%0.54332%0.32SS..Hα-helixtrans-68.2-39.8173.1-75.6174.7179.8-176.4-4.3111.5K341 T343 P344 M348 A349 T350K341-R346 PolarHBondContact O-NH1 2.92Å; T343-R346 WeakPolarHBondContact O-CB 3.46Å; T343-R346 PolarHBondContact O-N 3.12Å; T343-R346 WeakPolarHBondContact OG1-CD 3.24Å; T343-R346 VanDerWaalsContact OG1-CG 3.28Å; T343-R346 WeakPolarHBondContact OG1-CG 3.26Å; T343-R346 PolarHBondContact OG1-N 3.18Å; P344-R346 VanDerWaalsContact C-N 3.31Å; P344-R346 PolarHBondContact O-N 2.84Å; R346-M348 VanDerWaalsContact C-N 3.32Å; R346-M348 PolarHBondContact O-N 3.43Å; R346-A349 PolarHBondContact O-N 2.96Å; R346-T350 PolarHBondContact O-N 3.37Å; R346-T350 PolarHBondContact O-OG1 2.89Å; R346-T350 VanDerWaalsContact O-OG1 3.05Å
347K94.3Very high92.8Very high33 Ų3365.9 Ų65.914%0.14332%0.322CS..Hα-helixtrans-58.3-47.1173.4-62.8-174.1178.4-177.50110.6Y332 I342 T343 P344 A349 T350 G351 M588 T592Y332-K347 HydrophobicContact CE1-CD 4.01Å; Y332-K347 HydrophobicContact CE1-CG 4.48Å; Y332-K347 HydrophobicContact CE2-CD 4.36Å; Y332-K347 VanDerWaalsContact CE2-NZ 3.25Å; I342-K347 HydrophobicContact CG2-CB 4.46Å; I342-K347 HydrophobicContact CG2-CD 4.05Å; I342-K347 HydrophobicContact CG2-CG 3.23Å; T343-K347 PolarHBondContact O-N 3.06Å; P344-K347 WeakPolarHBondContact O-CB 3.48Å; P344-K347 PolarHBondContact O-N 3.09Å; P344-K347 VanDerWaalsContact O-N 3.14Å; K347-A349 PolarHBondContact O-N 2.73Å; K347-T350 PolarHBondContact O-N 3.39Å; K347-G351 PolarHBondContact O-N 3.21Å; K347-M588 CarbonylContact C-O 3.54Å; K347-M588 HydrophobicContact CB-CE 4.41Å; K347-T592 HydrophobicContact CB-CG2 4.01Å; K347-T592 HydrophobicContact CD-CG2 3.9Å; K347-T592 HydrophobicContact CG-CG2 4.42Å
348M95.9Very high93.3Very high3 Ų359.1 Ų59.12%0.01529%0.287CS..Hα-helixtrans-59.8-44.6178.1-66175.771.200112L276 P344 L345 R346 T350 G351 M352 F589 W613 F653L276-M348 HydrophobicContact CD1-CE 4.06Å; L276-M348 HydrophobicContact CD2-CE 3.83Å; P344-M348 WeakPolarHBondContact O-CG 3.45Å; P344-M348 PolarHBondContact O-N 2.98Å; L345-M348 HydrophobicContact CD2-SD 4.21Å; L345-M348 PolarHBondContact O-N 3.47Å; R346-M348 VanDerWaalsContact C-N 3.32Å; R346-M348 PolarHBondContact O-N 3.43Å; M348-T350 PolarHBondContact O-N 3.41Å; M348-G351 PolarHBondContact O-N 3.33Å; M348-M352 PolarHBondContact O-N 3.47Å; M348-M352 VanDerWaalsContact O-N 3.08Å; M348-F589 HydrophobicContact CB-CD2 4.1Å; M348-F589 HydrophobicContact CE-CD2 4.41Å; M348-F589 HydrophobicContact CE-CE2 4.2Å; M348-W613 HydrophobicContact CE-CH2 4.31Å; M348-W613 HydrophobicContact CE-CZ3 4.16Å; M348-F653 HydrophobicContact CB-CE1 3.89Å; M348-F653 HydrophobicContact CB-CZ 3.98Å; M348-F653 HydrophobicContact CE-CE2 4.44Å; M348-F653 HydrophobicContact CE-CZ 4.02Å; M348-F653 HydrophobicContact SD-CZ 4.11Å
349A96.4Very high93.8Very high11 Ų1154.8 Ų54.89%0.09126%0.258CS..Hα-helixtrans-59.9-46.4175.400000112.1L345 R346 K347 G351 M352 I353 C650 F653L345-A349 PolarHBondContact O-N 3.19Å; R346-A349 PolarHBondContact O-N 2.96Å; K347-A349 PolarHBondContact O-N 2.73Å; A349-G351 VanDerWaalsContact C-N 3.3Å; A349-G351 PolarHBondContact O-N 2.93Å; A349-M352 HydrophobicContact CB-CE 4.47Å; A349-M352 PolarHBondContact O-N 2.57Å; A349-I353 PolarHBondContact O-N 2.72Å; A349-C650 PolarHBondContact O-SG 2.89Å; A349-C650 VanDerWaalsContact O-SG 3.39Å; A349-F653 HydrophobicContact CB-CD1 4.21Å; A349-F653 HydrophobicContact CB-CE1 4.35Å
350T95.9Very high94.4Very high54 Ų5445.3 Ų45.333%0.33123%0.232SC..Hα-helixtrans-62.4-37.1175.4-54.20000112.1R346 K347 M348 M352 I353 F354 M588R346-T350 PolarHBondContact O-N 3.37Å; R346-T350 PolarHBondContact O-OG1 2.89Å; R346-T350 VanDerWaalsContact O-OG1 3.05Å; K347-T350 PolarHBondContact O-N 3.39Å; M348-T350 PolarHBondContact O-N 3.41Å; T350-M352 VanDerWaalsContact C-N 3.32Å; T350-M352 PolarHBondContact O-N 2.91Å; T350-I353 WeakPolarHBondContact O-CB 3.12Å; T350-I353 PolarHBondContact O-N 2.82Å; T350-I353 VanDerWaalsContact O-N 3.09Å; T350-F354 HydrophobicContact CG2-CD2 3.88Å; T350-F354 HydrophobicContact CG2-CE2 3.68Å; T350-F354 WeakPolarHBondContact O-CD2 3.45Å; T350-F354 PolarHBondContact O-N 3.48Å; T350-M588 HydrophobicContact CG2-CE 3.54Å; T350-M588 HydrophobicContact CG2-SD 3.92Å
351G97.2Very high95Very high0 Ų041.6 Ų41.60%022%0.216CC..Hα-helixtrans-61.1-37.917500000113.1K347 M348 A349 I353 F354 A355 G585K347-G351 PolarHBondContact O-N 3.21Å; M348-G351 PolarHBondContact O-N 3.33Å; A349-G351 VanDerWaalsContact C-N 3.3Å; A349-G351 PolarHBondContact O-N 2.93Å; G351-I353 VanDerWaalsContact C-N 3.34Å; G351-I353 PolarHBondContact O-N 2.9Å; G351-F354 PolarHBondContact O-N 2.85Å; G351-A355 PolarHBondContact O-N 2.95Å; G351-G585 WeakPolarHBondContact O-CA 3.24Å
352M98.1Very high95.8Very high0 Ų033 Ų330%018%0.179CC..Hα-helixtrans-65.3-35.6172.4-69.5-174.8-75.200112.6F279 M348 A349 T350 A355 A356 F589 L646 V649 C650 F653F279-M352 HydrophobicContact CB-CG 4.5Å; F279-M352 HydrophobicContact CD2-CG 4.06Å; M348-M352 PolarHBondContact O-N 3.47Å; M348-M352 VanDerWaalsContact O-N 3.08Å; A349-M352 HydrophobicContact CB-CE 4.47Å; A349-M352 PolarHBondContact O-N 2.57Å; T350-M352 VanDerWaalsContact C-N 3.32Å; T350-M352 PolarHBondContact O-N 2.91Å; M352-A355 PolarHBondContact O-N 3.43Å; M352-A356 PolarHBondContact O-N 3.03Å; M352-F589 HydrophobicContact CG-CD2 3.75Å; M352-F589 HydrophobicContact CG-CE2 3.75Å; M352-F589 HydrophobicContact SD-CD2 4.49Å; M352-F589 HydrophobicContact SD-CE2 3.96Å; M352-L646 HydrophobicContact CB-CD1 4.07Å; M352-L646 HydrophobicContact CB-CD2 4.32Å; M352-L646 HydrophobicContact CB-CG 4.16Å; M352-L646 HydrophobicContact CG-CD1 3.97Å; M352-L646 VanDerWaalsContact O-CD2 3.24Å; M352-L646 WeakPolarHBondContact O-CD2 3.49Å; M352-L646 HydrophobicContact SD-CD1 4.05Å; M352-V649 HydrophobicContact SD-CG1 4.47Å; M352-C650 HydrophobicContact CB-CB 4.08Å; M352-C650 HydrophobicContact CE-CB 4.27Å; M352-C650 HydrophobicContact SD-CB 4.49Å; M352-F653 HydrophobicContact CE-CB 3.71Å; M352-F653 HydrophobicContact CE-CD1 3.28Å; M352-F653 HydrophobicContact CE-CE1 3.97Å; M352-F653 HydrophobicContact CE-CG 3.58Å
353I98.2Very high96.4Very high74 Ų7430.8 Ų30.838%0.37917%0.168SC..Hα-helixtrans-64-45.3173.8-61171.7000110.3A349 T350 G351 A355 A356 L357A349-I353 PolarHBondContact O-N 2.72Å; T350-I353 WeakPolarHBondContact O-CB 3.12Å; T350-I353 PolarHBondContact O-N 2.82Å; T350-I353 VanDerWaalsContact O-N 3.09Å; G351-I353 VanDerWaalsContact C-N 3.34Å; G351-I353 PolarHBondContact O-N 2.9Å; I353-A355 PolarHBondContact O-N 3.45Å; I353-A356 PolarHBondContact O-N 3.39Å; I353-L357 HydrophobicContact CG2-CD1 4.19Å; I353-L357 HydrophobicContact CG2-CG 4.43Å; I353-L357 WeakPolarHBondContact O-CG 3.32Å; I353-L357 PolarHBondContact O-N 3.22Å
354F98.3Very high96.7Very high60 Ų6034 Ų3426%0.26318%0.183SC..Hα-helixtrans-60.1-42.7176.4-85.7-73.3000112.6T350 G351 L357 A358 L581 A584 M588T350-F354 HydrophobicContact CG2-CD2 3.88Å; T350-F354 HydrophobicContact CG2-CE2 3.68Å; T350-F354 WeakPolarHBondContact O-CD2 3.45Å; T350-F354 PolarHBondContact O-N 3.48Å; G351-F354 PolarHBondContact O-N 2.85Å; F354-L357 PolarHBondContact O-N 3.34Å; F354-A358 PolarHBondContact O-N 3.13Å; F354-L581 HydrophobicContact CD1-CD2 3.79Å; F354-L581 HydrophobicContact CE1-CD2 4.16Å; F354-A584 HydrophobicContact CD1-CB 4.42Å; F354-M588 HydrophobicContact CD2-SD 3.74Å; F354-M588 HydrophobicContact CE2-SD 3.66Å
355A98.2Very high97Very high0 Ų032.5 Ų32.50%017%0.173CC..Hα-helixtrans-64.7-37.817500000112.6F279 G351 M352 I353 A358 F359 L582 L646F279-A355 HydrophobicContact CD2-CB 3.96Å; F279-A355 HydrophobicContact CE2-CB 3.65Å; G351-A355 PolarHBondContact O-N 2.95Å; M352-A355 PolarHBondContact O-N 3.43Å; I353-A355 PolarHBondContact O-N 3.45Å; A355-A358 WeakPolarHBondContact O-CB 3.41Å; A355-A358 PolarHBondContact O-N 3.43Å; A355-F359 PolarHBondContact O-N 3.33Å; A355-F359 VanDerWaalsContact O-N 3.17Å; A355-L582 HydrophobicContact CB-CD1 3.76Å; A355-L646 HydrophobicContact CB-CD2 3.58Å
356A98.3Very high97.1Very high8 Ų832.2 Ų32.27%0.06617%0.171CC..Hα-helixtrans-65.6-40.4173.900000112M352 I353 A358 F359 G360 L646 L647M352-A356 PolarHBondContact O-N 3.03Å; I353-A356 PolarHBondContact O-N 3.39Å; A356-A358 VanDerWaalsContact C-N 3.33Å; A356-A358 PolarHBondContact O-N 2.96Å; A356-F359 PolarHBondContact O-N 3.06Å; A356-G360 PolarHBondContact O-N 3.26Å; A356-L646 HydrophobicContact CB-CB 4.49Å; A356-L646 HydrophobicContact CB-CD2 4.37Å; A356-L647 HydrophobicContact CB-CD1 4.5Å; A356-L647 HydrophobicContact CB-CD2 3.68Å; A356-L647 HydrophobicContact CB-CG 3.74Å
357L98.4Very high97.1Very high96 Ų9628.6 Ų28.650%0.50316%0.162SC..Hα-helixtrans-64.3-36.7173.7-69.3173.2000112.1I353 F354 F359 G360 A361 L581I353-L357 HydrophobicContact CG2-CD1 4.19Å; I353-L357 HydrophobicContact CG2-CG 4.43Å; I353-L357 WeakPolarHBondContact O-CG 3.32Å; I353-L357 PolarHBondContact O-N 3.22Å; F354-L357 PolarHBondContact O-N 3.34Å; L357-F359 VanDerWaalsContact C-N 3.29Å; L357-F359 PolarHBondContact O-N 2.94Å; L357-G360 PolarHBondContact O-N 3.34Å; L357-A361 PolarHBondContact O-N 2.62Å; L357-L581 HydrophobicContact CB-CD1 4.24Å
358A98.4Very high97.1Very high0 Ų030.2 Ų30.20%017%0.172CC..Hα-helixtrans-58.9-41.9173.900000111.6F354 A355 A356 A361 A362 Q578 L581 L582F354-A358 PolarHBondContact O-N 3.13Å; A355-A358 WeakPolarHBondContact O-CB 3.41Å; A355-A358 PolarHBondContact O-N 3.43Å; A356-A358 VanDerWaalsContact C-N 3.33Å; A356-A358 PolarHBondContact O-N 2.96Å; A358-A361 WeakPolarHBondContact O-CB 3.47Å; A358-A361 PolarHBondContact O-N 3.29Å; A358-A362 PolarHBondContact O-N 3.43Å; A358-Q578 WeakPolarHBondContact CB-O 3.36Å; A358-Q578 WeakPolarHBondContact O-CB 3.37Å; A358-L581 HydrophobicContact CB-CB 3.66Å; A358-L582 HydrophobicContact CB-CB 3.81Å
359F98.1Very high96.9Very high0 Ų030.1 Ų30.10%017%0.171CC..Hα-helixtrans-71-32.9175.4-90.2-112000112.7L282 Q285 W290 A355 A356 L357 A362 T363 F639 F642L282-F359 HydrophobicContact CB-CD2 3.97Å; L282-F359 HydrophobicContact CB-CE2 3.41Å; L282-F359 VanDerWaalsContact CB-CE2 3.41Å; L282-F359 HydrophobicContact CB-CZ 3.73Å; L282-F359 HydrophobicContact CD2-CB 4.07Å; L282-F359 HydrophobicContact CD2-CD1 4.04Å; L282-F359 HydrophobicContact CD2-CD2 3.36Å; L282-F359 HydrophobicContact CD2-CE1 4.35Å; L282-F359 HydrophobicContact CD2-CE2 3.74Å; L282-F359 HydrophobicContact CD2-CG 3.52Å; L282-F359 HydrophobicContact CD2-CZ 4.22Å; L282-F359 HydrophobicContact CG-CD1 4.14Å; L282-F359 HydrophobicContact CG-CD2 3.74Å; L282-F359 HydrophobicContact CG-CE1 3.96Å; L282-F359 HydrophobicContact CG-CE2 3.55Å; L282-F359 HydrophobicContact CG-CG 4.03Å; L282-F359 HydrophobicContact CG-CZ 3.66Å; L282-F359 WeakPolarHBondContact O-CE2 3.5Å; L282-F359 VanDerWaalsContact O-CZ 3.3Å; L282-F359 WeakPolarHBondContact O-CZ 3.28Å; Q285-F359 HydrophobicContact CB-CZ 4.07Å; Q285-F359 HydrophobicContact CG-CZ 4.36Å; W290-F359 HydrophobicContact CZ2-CD2 4.19Å; W290-F359 AromaticContact CZ2-CE2 3.9Å; W290-F359 HydrophobicContact CZ2-CE2 3.9Å; A355-F359 PolarHBondContact O-N 3.33Å; A355-F359 VanDerWaalsContact O-N 3.17Å; A356-F359 PolarHBondContact O-N 3.06Å; L357-F359 VanDerWaalsContact C-N 3.29Å; L357-F359 PolarHBondContact O-N 2.94Å; F359-A362 PolarHBondContact O-N 3.5Å; F359-T363 PolarHBondContact O-N 3.18Å; F359-T363 PolarHBondContact O-OG1 3.11Å; F359-T363 VanDerWaalsContact O-OG1 3.07Å; F359-F639 HydrophobicContact CD1-CB 4.09Å; F359-F639 HydrophobicContact CD1-CD1 4.01Å; F359-F639 HydrophobicContact CD1-CG 4.36Å; F359-F639 WeakPolarHBondContact CD1-O 3.35Å; F359-F639 AromaticContact CE1-CD1 3.79Å; F359-F639 HydrophobicContact CE1-CD1 3.79Å; F359-F639 HydrophobicContact CE1-CE1 4.39Å; F359-F642 HydrophobicContact CD1-CB 3.77Å; F359-F642 HydrophobicContact CE1-CB 3.82Å; F359-F642 HydrophobicContact CE1-CG 4.33Å
360G97.8Very high96.6Very high32 Ų3231.1 Ų31.133%0.3318%0.177SC..Hα-helixtrans-59.5-44.2167.700000112.5A356 L357 T363 L364A356-G360 PolarHBondContact O-N 3.26Å; L357-G360 PolarHBondContact O-N 3.34Å; G360-T363 PolarHBondContact O-N 3.45Å; G360-L364 WeakPolarHBondContact O-CG 3.38Å; G360-L364 PolarHBondContact O-N 3.22Å; G360-L364 VanDerWaalsContact O-N 3.11Å
361A97.9Very high96.1Very high21 Ų2135.2 Ų35.217%0.17419%0.19CC..Hα-helixtrans-63.4-43.5173.700000111.7L357 A358 T363 L364 V365 Q578 L581L357-A361 PolarHBondContact O-N 2.62Å; A358-A361 WeakPolarHBondContact O-CB 3.47Å; A358-A361 PolarHBondContact O-N 3.29Å; A361-T363 VanDerWaalsContact C-N 3.34Å; A361-T363 PolarHBondContact O-N 3.45Å; A361-L364 WeakPolarHBondContact O-CB 3.19Å; A361-L364 PolarHBondContact O-N 3.21Å; A361-L364 VanDerWaalsContact O-N 3.16Å; A361-V365 WeakPolarHBondContact O-CG2 3.23Å; A361-V365 PolarHBondContact O-N 3.48Å; A361-Q578 HydrophobicContact CB-CB 4.12Å; A361-L581 HydrophobicContact CB-CD1 4.3Å
362A97.6Very high95.5Very high0 Ų035.7 Ų35.70%019%0.193CC..Hα-helixtrans-61.5-38.7176.400000112.9W290 Q293 A358 F359 V365 E366 Q578 F639W290-A362 HydrophobicContact CZ2-CB 4.37Å; Q293-A362 PolarHBondContact NE2-O 3.13Å; Q293-A362 VanDerWaalsContact NE2-O 3.12Å; A358-A362 PolarHBondContact O-N 3.43Å; F359-A362 PolarHBondContact O-N 3.5Å; A362-V365 PolarHBondContact O-N 2.81Å; A362-E366 WeakPolarHBondContact O-CB 3.45Å; A362-E366 PolarHBondContact O-N 3.47Å; A362-Q578 VanDerWaalsContact CA-OE1 3.23Å; A362-Q578 HydrophobicContact CB-CB 4.35Å; A362-F639 HydrophobicContact CB-CD2 3.98Å; A362-F639 HydrophobicContact CB-CE2 4.18Å; A362-F639 HydrophobicContact CB-CG 4.41Å
363T97.2Very high94.9Very high10 Ų1037.4 Ų37.46%0.06120%0.203CC..Hα-helixtrans-61.8-44.9172.4-640000111.5F359 G360 A361 V365 E366 I367 W636 F639 L640F359-T363 PolarHBondContact O-N 3.18Å; F359-T363 PolarHBondContact O-OG1 3.11Å; F359-T363 VanDerWaalsContact O-OG1 3.07Å; G360-T363 PolarHBondContact O-N 3.45Å; A361-T363 VanDerWaalsContact C-N 3.34Å; A361-T363 PolarHBondContact O-N 3.45Å; T363-V365 VanDerWaalsContact C-N 3.32Å; T363-V365 PolarHBondContact O-N 2.94Å; T363-E366 PolarHBondContact O-N 2.92Å; T363-I367 HydrophobicContact CG2-CD1 3.81Å; T363-I367 HydrophobicContact CG2-CG1 4.39Å; T363-I367 VanDerWaalsContact O-CG1 3.31Å; T363-I367 WeakPolarHBondContact O-CG1 3.29Å; T363-I367 PolarHBondContact O-N 3.05Å; T363-W636 HydrophobicContact CG2-CB 4.47Å; T363-W636 HydrophobicContact CG2-CE3 4.32Å; T363-F639 VanDerWaalsContact OG1-CB 3.24Å; T363-F639 WeakPolarHBondContact OG1-CB 3.44Å; T363-L640 HydrophobicContact CG2-CB 4.44Å; T363-L640 PolarHBondContact OG1-N 3.27Å
364L96.9Very high94.2Very high117 Ų11735.5 Ų35.561%0.61320%0.195SC*.Hα-helixtrans-62.4-39.7178.3-69.6174000112.1G360 A361 N368G360-L364 WeakPolarHBondContact O-CG 3.38Å; G360-L364 PolarHBondContact O-N 3.22Å; G360-L364 VanDerWaalsContact O-N 3.11Å; A361-L364 WeakPolarHBondContact O-CB 3.19Å; A361-L364 PolarHBondContact O-N 3.21Å; A361-L364 VanDerWaalsContact O-N 3.16Å; L364-N368 PolarHBondContact O-ND2 3.47Å
365V96.7Very high93.3Very high13 Ų1337.6 Ų37.68%0.07921%0.205CC..Hα-helixtrans-64.3-48.7174175.30000110.1Q293 M297 A361 A362 T363 I367 N368 V369 V570 W574Q293-V365 HydrophobicContact CG-CG1 4.41Å; M297-V365 HydrophobicContact CE-CG1 3.6Å; M297-V365 HydrophobicContact SD-CG1 4.24Å; A361-V365 WeakPolarHBondContact O-CG2 3.23Å; A361-V365 PolarHBondContact O-N 3.48Å; A362-V365 PolarHBondContact O-N 2.81Å; T363-V365 VanDerWaalsContact C-N 3.32Å; T363-V365 PolarHBondContact O-N 2.94Å; V365-I367 PolarHBondContact O-N 3.25Å; V365-N368 PolarHBondContact O-N 3.49Å; V365-V369 HydrophobicContact CG1-CG2 4.16Å; V365-V369 WeakPolarHBondContact O-CG2 3.38Å; V365-V369 PolarHBondContact O-N 3.21Å; V365-V570 HydrophobicContact CG1-CG1 4.46Å; V365-W574 HydrophobicContact CG2-CB 4.16Å; V365-W574 WeakPolarHBondContact CG2-O 3.38Å
366E95.6Very high92.6Very high1 Ų141.9 Ų41.91%0.00523%0.234CC..Hα-helixtrans-60.3-43.7-176.7-170.260.7-162.200112.7Q293 R296 A362 T363 N368 V369 V370 Q635 W636 F639Q293-E366 VanDerWaalsContact CG-OE2 3.22Å; Q293-E366 WeakPolarHBondContact CG-OE2 3.24Å; Q293-E366 PolarHBondContact NE2-OE2 3.26Å; R296-E366 IonicContact CZ-OE1 3.79Å; R296-E366 IonicContact NH1-OE1 2.73Å; R296-E366 PolarHBondContact NH1-OE1 3Å; R296-E366 IonicContact NH2-OE1 2.92Å; R296-E366 PolarHBondContact NH2-OE1 3.31Å; R296-E366 IonicContact NH2-OE2 3.06Å; R296-E366 PolarHBondContact NH2-OE2 3.06Å; A362-E366 WeakPolarHBondContact O-CB 3.45Å; A362-E366 PolarHBondContact O-N 3.47Å; T363-E366 PolarHBondContact O-N 2.92Å; E366-N368 PolarHBondContact O-N 3.32Å; E366-N368 VanDerWaalsContact O-N 3.16Å; E366-V369 PolarHBondContact O-N 3.26Å; E366-V369 VanDerWaalsContact O-N 3.08Å; E366-V370 HydrophobicContact CG-CG2 4.17Å; E366-V370 WeakPolarHBondContact O-CG2 3.29Å; E366-V370 PolarHBondContact O-N 3.48Å; E366-V370 WeakPolarHBondContact OE1-CG2 3.07Å; E366-Q635 HydrophobicContact CG-CB 4.42Å; E366-Q635 HydrophobicContact CG-CG 4.43Å; E366-W636 HydrophobicContact CB-CB 3.86Å; E366-W636 HydrophobicContact CG-CB 3.57Å; E366-F639 HydrophobicContact CB-CD2 4.17Å; E366-F639 HydrophobicContact CB-CE2 4.23Å; E366-F639 HydrophobicContact CG-CD2 4.47Å; E366-F639 HydrophobicContact CG-CE2 4.37Å
367I94.7Very high91.9Very high68 Ų6841.8 Ų41.835%0.34923%0.233SC..Hα-helixtrans-57.9-32177.7-72.3168.2000111.5T363 V365 W636T363-I367 HydrophobicContact CG2-CD1 3.81Å; T363-I367 HydrophobicContact CG2-CG1 4.39Å; T363-I367 VanDerWaalsContact O-CG1 3.31Å; T363-I367 WeakPolarHBondContact O-CG1 3.29Å; T363-I367 PolarHBondContact O-N 3.05Å; V365-I367 PolarHBondContact O-N 3.25Å; I367-W636 HydrophobicContact CD1-CE3 4.27Å; I367-W636 HydrophobicContact CG1-CB 4.12Å; I367-W636 HydrophobicContact CG1-CD2 4.21Å; I367-W636 HydrophobicContact CG1-CE3 4.34Å; I367-W636 HydrophobicContact CG1-CG 4.15Å
368N93.4Very high91.1Very high67 Ų6740.6 Ų40.636%0.35823%0.23SC..Hα-helixtrans-83.8-33.5177.4-72-70.3000112.7L364 V365 E366 K371 V570L364-N368 PolarHBondContact O-ND2 3.47Å; V365-N368 PolarHBondContact O-N 3.49Å; E366-N368 PolarHBondContact O-N 3.32Å; E366-N368 VanDerWaalsContact O-N 3.16Å; N368-K371 PolarHBondContact OD1-NZ 3.28Å; N368-V570 HydrophobicContact CB-CG2 3.81Å
369V91.6Very high90.4Very high0 Ų042.8 Ų42.80%025%0.249CC..Hα-helixtrans-63.9-45.8175.61680000111.2R296 M297 V365 E366 K371 T372 V570R296-V369 HydrophobicContact CB-CG1 3.43Å; R296-V369 VanDerWaalsContact CB-CG1 3.43Å; M297-V369 HydrophobicContact CE-CG2 4.48Å; M297-V369 HydrophobicContact CG-CG2 3.78Å; M297-V369 HydrophobicContact SD-CG2 4.49Å; V365-V369 HydrophobicContact CG1-CG2 4.16Å; V365-V369 WeakPolarHBondContact O-CG2 3.38Å; V365-V369 PolarHBondContact O-N 3.21Å; E366-V369 PolarHBondContact O-N 3.26Å; E366-V369 VanDerWaalsContact O-N 3.08Å; V369-K371 PolarHBondContact O-N 3.02Å; V369-K371 VanDerWaalsContact O-N 3.17Å; V369-T372 PolarHBondContact O-N 2.96Å; V369-T372 PolarHBondContact O-OG1 3.43Å; V369-T372 VanDerWaalsContact O-OG1 3.14Å; V369-V570 HydrophobicContact CG2-CB 4Å; V369-V570 HydrophobicContact CG2-CG1 4.24Å; V369-V570 HydrophobicContact CG2-CG2 4.11Å
370V89.3Confident89.9Confident33 Ų3346.7 Ų46.720%0.227%0.27CS..Hα-helixtrans-61.2-26.8-176.7172.60000112.7E366 T372 V373E366-V370 HydrophobicContact CG-CG2 4.17Å; E366-V370 WeakPolarHBondContact O-CG2 3.29Å; E366-V370 PolarHBondContact O-N 3.48Å; E366-V370 WeakPolarHBondContact OE1-CG2 3.07Å; V370-T372 PolarHBondContact O-N 2.94Å; V370-V373 WeakPolarHBondContact O-CB 3.22Å; V370-V373 PolarHBondContact O-N 3.49Å
371K87.1Confident89.6Confident139 Ų13948 Ų4860%0.60427%0.267SS*.THydrogen-bonded Turntrans-57.7-23.4178.7-69.3173.8-177.6169.90114.8N368 V369N368-K371 PolarHBondContact OD1-NZ 3.28Å; V369-K371 PolarHBondContact O-N 3.02Å; V369-K371 VanDerWaalsContact O-N 3.17Å
372T84Confident89.3Confident11 Ų1147 Ų477%0.06726%0.259CS..THydrogen-bonded Turntrans-101.7-1.4179.967.60000112.8V369 V370 K474 N569V369-T372 PolarHBondContact O-N 2.96Å; V369-T372 PolarHBondContact O-OG1 3.43Å; V369-T372 VanDerWaalsContact O-OG1 3.14Å; V370-T372 PolarHBondContact O-N 2.94Å; T372-K474 WeakPolarHBondContact O-CE 3.34Å; T372-K474 PolarHBondContact O-NZ 2.53Å; T372-K474 PolarHBondContact OG1-NZ 2.92Å; T372-K474 VanDerWaalsContact OG1-NZ 3.13Å; T372-N569 WeakPolarHBondContact CG2-OD1 3.25Å
373V84.8Confident89.1Confident36 Ų3647.6 Ų47.622%0.21826%0.262CS..PPolyproline II helixtrans-98.7131.6-177.3-177.70000107.9R296 V370 K474R296-V373 HydrophobicContact CB-CG2 4.49Å; R296-V373 HydrophobicContact CG-CG2 4.4Å; V370-V373 WeakPolarHBondContact O-CB 3.22Å; V370-V373 PolarHBondContact O-N 3.49Å; V373-K474 HydrophobicContact CG2-CD 4.48Å
374V84Confident88.8Confident34 Ų3447.1 Ų47.121%0.20626%0.259CS..PPolyproline II helixtrans-88.9117.3168.9-177.40000106.8L383 Y417 I472 V565V374-L383 HydrophobicContact CG1-CD1 3.85Å; V374-Y417 HydrophobicContact CG1-CD2 3.86Å; V374-Y417 HydrophobicContact CG1-CE2 4.42Å; V374-Y417 HydrophobicContact CG1-CG 4.42Å; V374-Y417 HydrophobicContact CG2-CD2 4.09Å; V374-Y417 HydrophobicContact CG2-CE2 4.35Å; V374-I472 HydrophobicContact CB-CB 4.18Å; V374-I472 HydrophobicContact CG1-CB 4.17Å; V374-I472 HydrophobicContact CG1-CD1 3.93Å; V374-I472 HydrophobicContact CG1-CG2 4.24Å; V374-V565 HydrophobicContact CG2-CG2 4.19Å
375E80.1Confident88.6Confident103 Ų10341.7 Ų41.748%0.48123%0.23SC..PPolyproline II helixtrans-74.1139.5176-67-169.916600110L383E375-L383 WeakPolarHBondContact O-CD1 3.35Å
376P81.8Confident88.4Confident91 Ų9141.2 Ų41.259%0.59123%0.228SC*.PPolyproline II helixtrans-56.1146.9173-23.733.7000111.8
377A83.8Confident88.1Confident6 Ų641.4 Ų41.45%0.0523%0.229CC..PPolyproline II helixtrans-61.8140.5178.500000110.7Q381 L383A377-Q381 HydrophobicContact CB-CB 4.47Å; A377-Q381 WeakPolarHBondContact CB-O 3.44Å; A377-L383 HydrophobicContact CB-CD1 4.45Å; A377-L383 HydrophobicContact CB-CG 3.92Å
378P83.3Confident88Confident70 Ų7038.2 Ų38.246%0.45521%0.212SC..PPolyproline II helixtrans-60.6171.6171.8-22.133000112.9Q381P378-Q381 PolarHBondContact O-N 3.05Å
379A82.9Confident87.9Confident46 Ų4636.2 Ų36.238%0.3820%0.201SC..THydrogen-bonded Turntrans-55.6146.7169.200000111.2Q381A379-Q381 PolarHBondContact O-N 3.38Å
380D87.6Confident87.8Confident83 Ų8336.2 Ų36.244%0.44420%0.201SC..THydrogen-bonded Turntrans62.711.5-176.5-54.8-54.3000115.6L422 G423 E448D380-L422 WeakPolarHBondContact O-CA 3.31Å; D380-L422 WeakPolarHBondContact O-CB 3.46Å; D380-L422 PolarHBondContact O-N 2.95Å; D380-G423 PolarHBondContact O-N 3.49Å; D380-G423 VanDerWaalsContact O-N 3.1Å; D380-E448 PolarHBondContact N-OE2 3.04Å
381Q90.7Very high87.7Confident60 Ų6039.3 Ų39.328%0.2822%0.217SC..EExtended strand (participates in β ladder)trans-131.7159.3-179.4-59.1-174.67.300111.7A377 P378 A379 L420 E448 R449A377-Q381 HydrophobicContact CB-CB 4.47Å; A377-Q381 WeakPolarHBondContact CB-O 3.44Å; P378-Q381 PolarHBondContact O-N 3.05Å; A379-Q381 PolarHBondContact O-N 3.38Å; Q381-L420 CarbonylContact C-O 3.58Å; Q381-L420 WeakPolarHBondContact CA-O 3.31Å; Q381-E448 CarbonylContact O-C 3.52Å; Q381-E448 VanDerWaalsContact O-CA 3.31Å; Q381-E448 WeakPolarHBondContact O-CA 3.48Å; Q381-R449 PolarHBondContact O-N 3.34Å
382S92.1Very high87.8Confident0 Ų033.9 Ų33.90%020%0.2CC..EExtended strand (participates in β ladder)trans-135.5161.4173.2177.70000109.8L420 K450 Y452S382-L420 PolarHBondContact N-O 2.81Å; S382-L420 WeakPolarHBondContact O-CA 3.47Å; S382-L420 WeakPolarHBondContact O-CB 3.19Å; S382-L420 PolarHBondContact O-N 3.27Å; S382-K450 WeakPolarHBondContact CA-O 3.21Å; S382-K450 PolarHBondContact OG-O 2.82Å; S382-Y452 VanDerWaalsContact OG-CD2 3.3Å; S382-Y452 WeakPolarHBondContact OG-CD2 3.43Å; S382-Y452 WeakPolarHBondContact OG-CE2 3.39Å
383L92.6Very high88.2Confident11 Ų1137.8 Ų37.86%0.05822%0.22CC..EExtended strand (participates in β ladder)trans-100.2137.6173.7-69.1167.1000110V374 E375 A377 Y417 E418 L419 K450 A451 Y452 I472V374-L383 HydrophobicContact CG1-CD1 3.85Å; E375-L383 WeakPolarHBondContact O-CD1 3.35Å; A377-L383 HydrophobicContact CB-CD1 4.45Å; A377-L383 HydrophobicContact CB-CG 3.92Å; L383-Y417 HydrophobicContact CB-CD1 3.86Å; L383-Y417 HydrophobicContact CB-CG 4.25Å; L383-E418 WeakPolarHBondContact CA-O 3.44Å; L383-L419 HydrophobicContact CD2-CD2 3.59Å; L383-L419 HydrophobicContact CD2-CG 4.12Å; L383-L419 HydrophobicContact CG-CD2 4.47Å; L383-K450 PolarHBondContact N-O 2.88Å; L383-A451 HydrophobicContact CB-CB 3.86Å; L383-A451 HydrophobicContact CD1-CB 4.28Å; L383-A451 CarbonylContact O-C 3.59Å; L383-A451 WeakPolarHBondContact O-CA 3.41Å; L383-Y452 PolarHBondContact O-N 3.5Å; L383-I472 HydrophobicContact CD1-CD1 3.71Å
384L92.3Very high88.5Confident0 Ų036 Ų360%021%0.21CC..EExtended strand (participates in β ladder)trans-132.3134.7-179.9177.264.7000111F404 E418 L420 F431 F446 Y452 L454L384-F404 HydrophobicContact CD2-CE2 3.85Å; L384-F404 HydrophobicContact CD2-CZ 4.37Å; L384-F404 HydrophobicContact CG-CE2 4.12Å; L384-F404 HydrophobicContact CG-CZ 4.15Å; L384-E418 PolarHBondContact N-O 3.47Å; L384-E418 PolarHBondContact O-N 3.28Å; L384-L420 HydrophobicContact CB-CB 4.43Å; L384-L420 HydrophobicContact CB-CD2 4.32Å; L384-L420 HydrophobicContact CD2-CD2 4.19Å; L384-F431 HydrophobicContact CD2-CE1 3.5Å; L384-F431 VanDerWaalsContact CD2-CE1 3.5Å; L384-F431 HydrophobicContact CD2-CZ 3.93Å; L384-F446 HydrophobicContact CD1-CE1 4.08Å; L384-F446 HydrophobicContact CD1-CZ 4.35Å; L384-Y452 WeakPolarHBondContact CA-O 3.43Å; L384-L454 HydrophobicContact CD1-CB 3.92Å
385Q92.4Very high88.9Confident3 Ų336.1 Ų36.11%0.01421%0.212CC..EExtended strand (participates in β ladder)trans-128.2162.8161.666.71790.400110.3F387 P414 Y417 Y452 S453 L454 D470 D564Q385-F387 VanDerWaalsContact NE2-CZ 3.26Å; Q385-P414 HydrophobicContact CB-CB 4.19Å; Q385-P414 HydrophobicContact CB-CG 4.43Å; Q385-Y417 HydrophobicContact CB-CD1 4.03Å; Q385-Y417 HydrophobicContact CB-CE1 4.11Å; Q385-Y417 VanDerWaalsContact CD-CZ 3.48Å; Q385-Y417 HydrophobicContact CG-CD1 4.05Å; Q385-Y417 HydrophobicContact CG-CE1 3.6Å; Q385-Y417 PolarHBondContact NE2-OH 2.86Å; Q385-Y417 VanDerWaalsContact NE2-OH 3.1Å; Q385-Y452 PolarHBondContact N-O 2.88Å; Q385-S453 VanDerWaalsContact CG-OG 3.29Å; Q385-S453 WeakPolarHBondContact CG-OG 3.36Å; Q385-S453 PolarHBondContact NE2-OG 3.3Å; Q385-S453 WeakPolarHBondContact O-CA 3.49Å; Q385-L454 PolarHBondContact O-N 2.89Å; Q385-D470 PolarHBondContact NE2-OD2 2.93Å; Q385-D564 PolarHBondContact NE2-OD1 3.38Å
386V91.4Very high89.4Confident4 Ų431.2 Ų31.22%0.02419%0.189CC..EExtended strand (participates in β ladder)trans-124.2128.5-176.3178.10000109.8V396 F404 I408 L454 V456V386-V396 HydrophobicContact CG1-CG2 3.94Å; V386-F404 HydrophobicContact CG2-CD1 4.32Å; V386-F404 HydrophobicContact CG2-CD2 4Å; V386-F404 HydrophobicContact CG2-CE1 4.04Å; V386-F404 HydrophobicContact CG2-CE2 3.69Å; V386-F404 HydrophobicContact CG2-CG 4.32Å; V386-F404 HydrophobicContact CG2-CZ 3.72Å; V386-I408 HydrophobicContact CB-CD1 3.61Å; V386-I408 HydrophobicContact CG1-CD1 3.52Å; V386-I408 HydrophobicContact CG2-CD1 4.33Å; V386-L454 WeakPolarHBondContact CA-O 3.37Å; V386-L454 HydrophobicContact CG2-CB 4.31Å; V386-L454 HydrophobicContact CG2-CD2 4.43Å; V386-V456 HydrophobicContact CG1-CG2 4.05Å
387F90.8Very high89.7Confident5 Ų533.2 Ų33.22%0.02219%0.189CC..EExtended strand (participates in β ladder)trans-105.6119.1172.9-68.4-47.6000110.6Q385 P414 S453 L454 I455 V456 M562 D564Q385-F387 VanDerWaalsContact NE2-CZ 3.26Å; F387-P414 HydrophobicContact CD1-CG 3.58Å; F387-P414 VanDerWaalsContact CE1-CD 3.44Å; F387-P414 HydrophobicContact CE1-CG 3.2Å; F387-P414 HydrophobicContact CZ-CG 4.15Å; F387-S453 WeakPolarHBondContact CE2-OG 3.44Å; F387-L454 PolarHBondContact N-O 3.37Å; F387-I455 HydrophobicContact CB-CG1 4.4Å; F387-I455 HydrophobicContact CD2-CG1 4.08Å; F387-V456 PolarHBondContact O-N 2.96Å; F387-M562 HydrophobicContact CD1-CE 4.37Å; F387-M562 HydrophobicContact CD1-SD 3.49Å; F387-M562 WeakPolarHBondContact CD1-SD 3.4Å; F387-M562 HydrophobicContact CE1-CB 4.39Å; F387-M562 HydrophobicContact CE1-SD 3.45Å; F387-M562 WeakPolarHBondContact CE1-SD 3.45Å; F387-M562 HydrophobicContact CG-SD 4.15Å; F387-M562 HydrophobicContact CZ-SD 4.12Å; F387-D564 VanDerWaalsContact CZ-OD1 3.31Å; F387-D564 WeakPolarHBondContact CZ-OD1 3.36Å
388N92.4Very high89.8Confident1 Ų133.4 Ų33.41%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-93.9110.2174.5-178.117000111.3A390 G392 V394 I408 K410 L411N388-A390 VanDerWaalsContact OD1-CB 3.31Å; N388-A390 WeakPolarHBondContact OD1-CB 3.15Å; N388-A390 PolarHBondContact OD1-N 3.41Å; N388-G392 PolarHBondContact ND2-O 2.93Å; N388-V394 HydrophobicContact CB-CG2 3.62Å; N388-I408 HydrophobicContact CB-CB 4.34Å; N388-I408 HydrophobicContact CB-CG2 3.75Å; N388-I408 PolarHBondContact ND2-O 3.15Å; N388-K410 PolarHBondContact ND2-N 2.99Å; N388-L411 PolarHBondContact O-N 3.44Å
389L90.7Very high89.3Confident25 Ų2532.9 Ų32.913%0.13119%0.19CC..  trans-105.80.6172.5-55-177.7000112.8L411 I455 V456 H457 F485 T487 V549 M562L389-L411 HydrophobicContact CD2-CD2 3.6Å; L389-I455 HydrophobicContact CD1-CG2 3.5Å; L389-I455 VanDerWaalsContact CD1-CG2 3.5Å; L389-I455 HydrophobicContact CG-CG2 4.05Å; L389-V456 WeakPolarHBondContact CA-O 3.23Å; L389-V456 WeakPolarHBondContact CB-O 3.31Å; L389-V456 PolarHBondContact N-O 3.21Å; L389-H457 HydrophobicContact CB-CB 4.16Å; L389-F485 HydrophobicContact CD1-CD1 3.75Å; L389-F485 HydrophobicContact CD1-CE1 3.3Å; L389-F485 HydrophobicContact CD1-CZ 4.25Å; L389-T487 HydrophobicContact CD1-CG2 4.1Å; L389-V549 HydrophobicContact CD1-CG1 4.31Å; L389-V549 HydrophobicContact CD2-CG1 3.87Å; L389-V549 HydrophobicContact CD2-CG2 4.44Å; L389-M562 HydrophobicContact CD2-CE 4.38Å
390A90.3Very high88.4Confident0 Ų035.1 Ų35.10%022%0.218CC..SBendtrans-71.6153.117600000111.4N388 G392 V394 K410 F435 E458 I463N388-A390 VanDerWaalsContact OD1-CB 3.31Å; N388-A390 WeakPolarHBondContact OD1-CB 3.15Å; N388-A390 PolarHBondContact OD1-N 3.41Å; A390-G392 PolarHBondContact O-N 3.33Å; A390-V394 HydrophobicContact CB-CG1 4.12Å; A390-K410 WeakPolarHBondContact O-CB 3.36Å; A390-K410 VanDerWaalsContact O-CG 3.28Å; A390-K410 WeakPolarHBondContact O-CG 3.46Å; A390-F435 HydrophobicContact CB-CD2 4.18Å; A390-F435 HydrophobicContact CB-CE2 3.7Å; A390-F435 HydrophobicContact CB-CZ 4.06Å; A390-E458 HydrophobicContact CB-CG 3.89Å; A390-I463 HydrophobicContact CB-CD1 3.83Å
391D87.6Confident87.5Confident98 Ų9833 Ų3352%0.52422%0.215SC..SBendtrans-81.762.4177.3-158.745000111K410 K436 E458D391-K410 IonicContact OD1-NZ 2.76Å; D391-K410 PolarHBondContact OD1-NZ 3.31Å; D391-K436 PolarHBondContact O-NZ 3.27Å; D391-E458 WeakPolarHBondContact CA-OE1 3.23Å; D391-E458 WeakPolarHBondContact CB-OE1 3.29Å; D391-E458 PolarHBondContact N-OE1 3.45Å
392G88.8Confident86.5Confident24 Ų2437.1 Ų37.125%0.24724%0.24CC..SBendtrans159.1172178.800000112.2N388 A390N388-G392 PolarHBondContact ND2-O 2.93Å; A390-G392 PolarHBondContact O-N 3.33Å
393D91.9Very high86Confident93 Ų9338.6 Ų38.650%0.49725%0.247SC..  trans-73.1139.1179.4-63.2-10.1000110.7P407 I408 K409D393-P407 HydrophobicContact CB-CB 4.13Å; D393-I408 WeakPolarHBondContact CA-O 3.13Å; D393-K409 WeakPolarHBondContact OD1-CA 2.97Å
394V91.8Very high85.5Confident0 Ų039.9 Ų39.90%025%0.253CS..EExtended strand (participates in β ladder)trans-118.1137.8176.7-63.60000110.3N388 A390 I408 V433 M434 F435 V456N388-V394 HydrophobicContact CB-CG2 3.62Å; A390-V394 HydrophobicContact CB-CG1 4.12Å; V394-I408 HydrophobicContact CG2-CB 4.09Å; V394-I408 PolarHBondContact N-O 3.39Å; V394-I408 PolarHBondContact O-N 3.42Å; V394-V433 HydrophobicContact CB-CG1 4.25Å; V394-V433 HydrophobicContact CG1-CG1 4.47Å; V394-M434 WeakPolarHBondContact CA-O 3.23Å; V394-F435 HydrophobicContact CG1-CB 4.34Å; V394-F435 HydrophobicContact CG1-CD2 3.77Å; V394-F435 HydrophobicContact CG1-CG 4.44Å; V394-V456 HydrophobicContact CG1-CG1 4.15Å
395S91Very high84.9Confident35 Ų3547.6 Ų47.625%0.24529%0.288CS..EExtended strand (participates in β ladder)trans-109.9122.9170.1-57.20000109V433 M434S395-V433 WeakPolarHBondContact O-CA 3.44Å; S395-M434 PolarHBondContact N-O 2.87Å; S395-M434 PolarHBondContact O-N 3.44Å
396V90.3Very high84.6Confident1 Ų153.8 Ų53.81%0.00632%0.322CS..EExtended strand (participates in β ladder)trans-109.2129.2-177.6-178.30000109.4V386 I408 F431 V433 L454V386-V396 HydrophobicContact CG1-CG2 3.94Å; V396-I408 HydrophobicContact CG2-CD1 4.46Å; V396-F431 HydrophobicContact CG1-CB 4.45Å; V396-F431 HydrophobicContact CG1-CD1 4.01Å; V396-V433 HydrophobicContact CG1-CG2 4.48Å; V396-V433 HydrophobicContact CG2-CG1 4.35Å; V396-V433 HydrophobicContact CG2-CG2 4.21Å; V396-L454 HydrophobicContact CG1-CD2 4.31Å
397K89Confident84.5Confident133 Ų13356.8 Ų56.858%0.57834%0.341SS*.EExtended strand (participates in β ladder)trans-120.3137.4173.5-67.3-177.3179.5178.10109.9F431 D432K397-F431 CarbonylContact O-C 3.58Å; K397-F431 WeakPolarHBondContact O-CA 3.32Å; K397-D432 PolarHBondContact N-O 2.79Å; K397-D432 PolarHBondContact O-N 3.2Å
398V86.8Confident84.5Confident10 Ų1057.4 Ų57.46%0.06135%0.345CS..EExtended strand (participates in β ladder)trans-101131.3176.5-169.50000109.1G400 G401 L403 L420 F431V398-G400 PolarHBondContact O-N 3.35Å; V398-G401 PolarHBondContact O-N 2.9Å; V398-L403 HydrophobicContact CG2-CB 4.22Å; V398-L403 HydrophobicContact CG2-CD1 4.26Å; V398-L420 HydrophobicContact CG1-CD1 3.97Å; V398-F431 HydrophobicContact CB-CD1 4.42Å; V398-F431 HydrophobicContact CB-CE1 4.28Å; V398-F431 HydrophobicContact CG1-CD1 4.42Å; V398-F431 HydrophobicContact CG1-CE1 3.99Å; V398-F431 HydrophobicContact CG1-CZ 4.38Å; V398-F431 HydrophobicContact CG2-CD1 3.71Å; V398-F431 HydrophobicContact CG2-CE1 3.49Å; V398-F431 VanDerWaalsContact CG2-CE1 3.49Å
399A71.6Confident84.5Confident58 Ų5863.4 Ų63.448%0.47937%0.371SS..THydrogen-bonded Turntrans-59.2112.1177.900000111.1R430A399-R430 HydrophobicContact CB-CB 4.39Å; A399-R430 WeakPolarHBondContact CB-O 3.42Å; A399-R430 PolarHBondContact N-O 3.02Å
400G64.8Low84.5Confident94 Ų9466.9 Ų66.997%0.96939%0.385SS*.THydrogen-bonded Turntrans98.28.7178.300000116.3V398V398-G400 PolarHBondContact O-N 3.35Å
401G68.6Low84.2Confident37 Ų3769 Ų6938%0.38140%0.396SS..SBendtrans-150.3169.3176.200000114.4V398V398-G401 PolarHBondContact O-N 2.9Å
402N69.2Low84.2Confident148 Ų14868.2 Ų68.279%0.79139%0.389SS*.  trans-11051.6176.8-72.8-21.4000111.3
403L80.8Confident84Confident31 Ų3171 Ų7116%0.16240%0.398CS..  trans-85.7146.7175.9-62.2175.1000110.3V398 E418 L420V398-L403 HydrophobicContact CG2-CB 4.22Å; V398-L403 HydrophobicContact CG2-CD1 4.26Å; L403-E418 HydrophobicContact CD2-CB 4.08Å; L403-E418 HydrophobicContact CD2-CG 4.48Å; L403-L420 HydrophobicContact CD1-CD1 3.72Å
404F82.6Confident83.5Confident38 Ų3867.9 Ų67.917%0.16738%0.383CS..  trans57.365.5179.4-48.5-74.5000114.8L384 V386 I408 E418L384-F404 HydrophobicContact CD2-CE2 3.85Å; L384-F404 HydrophobicContact CD2-CZ 4.37Å; L384-F404 HydrophobicContact CG-CE2 4.12Å; L384-F404 HydrophobicContact CG-CZ 4.15Å; V386-F404 HydrophobicContact CG2-CD1 4.32Å; V386-F404 HydrophobicContact CG2-CD2 4Å; V386-F404 HydrophobicContact CG2-CE1 4.04Å; V386-F404 HydrophobicContact CG2-CE2 3.69Å; V386-F404 HydrophobicContact CG2-CG 4.32Å; V386-F404 HydrophobicContact CG2-CZ 3.72Å; F404-I408 HydrophobicContact CD1-CD1 4.41Å; F404-E418 HydrophobicContact CD1-CG 4.4Å; F404-E418 HydrophobicContact CE1-CB 4.43Å; F404-E418 HydrophobicContact CE1-CG 3.74Å; F404-E418 HydrophobicContact CZ-CB 4.01Å; F404-E418 HydrophobicContact CZ-CG 3.82Å
405Q80.7Confident82.7Confident161 Ų16172.5 Ų72.575%0.75242%0.416SS*.  trans-69.6-34-176.4-64.4-175.59.100113.9
406D86.5Confident82.3Confident133 Ų13373.4 Ų73.471%0.71143%0.425SS*.SBendtrans-89.5143.1-178.3-65.2-47.2000111.4I408D406-I408 PolarHBondContact O-N 2.96Å
407P89.1Confident82.2Confident67 Ų6774.6 Ų74.644%0.43543%0.43SS..PPolyproline II helixtrans-58.2131.8171.6-22.132.5000111.4D393D393-P407 HydrophobicContact CB-CB 4.13Å
408I90.7Very high82.3Confident19 Ų1971.8 Ų71.810%0.09742%0.418CS..BIsolated β-bridgetrans-89.4122-179.1-56.1166.4000108V386 N388 D393 V394 V396 F404 D406 Q412V386-I408 HydrophobicContact CB-CD1 3.61Å; V386-I408 HydrophobicContact CG1-CD1 3.52Å; V386-I408 HydrophobicContact CG2-CD1 4.33Å; N388-I408 HydrophobicContact CB-CB 4.34Å; N388-I408 HydrophobicContact CB-CG2 3.75Å; N388-I408 PolarHBondContact ND2-O 3.15Å; D393-I408 WeakPolarHBondContact CA-O 3.13Å; V394-I408 HydrophobicContact CG2-CB 4.09Å; V394-I408 PolarHBondContact N-O 3.39Å; V394-I408 PolarHBondContact O-N 3.42Å; V396-I408 HydrophobicContact CG2-CD1 4.46Å; F404-I408 HydrophobicContact CD1-CD1 4.41Å; D406-I408 PolarHBondContact O-N 2.96Å; I408-Q412 HydrophobicContact CG2-CB 4.49Å
409K91.6Very high82.4Confident127 Ų12775.3 Ų75.355%0.55244%0.437SS*.PPolyproline II helixtrans-76.8156.8-179.6-60.3-179.6-179.6178.20111.6D393 L411 Q412D393-K409 WeakPolarHBondContact OD1-CA 2.97Å; K409-L411 PolarHBondContact O-N 3.45Å; K409-Q412 HydrophobicContact CB-CB 4.13Å; K409-Q412 VanDerWaalsContact O-CB 3.26Å; K409-Q412 WeakPolarHBondContact O-CB 3.24Å; K409-Q412 PolarHBondContact O-N 2.94Å
410K90.1Very high83.2Confident98 Ų9872.8 Ų72.843%0.42642%0.415SS..THydrogen-bonded Turntrans-54.9128.4174.6-178.4-177.8-168.2179.80110.8N388 A390 D391 Q412N388-K410 PolarHBondContact ND2-N 2.99Å; A390-K410 WeakPolarHBondContact O-CB 3.36Å; A390-K410 VanDerWaalsContact O-CG 3.28Å; A390-K410 WeakPolarHBondContact O-CG 3.46Å; D391-K410 IonicContact OD1-NZ 2.76Å; D391-K410 PolarHBondContact OD1-NZ 3.31Å; K410-Q412 PolarHBondContact O-N 2.97Å; K410-Q412 VanDerWaalsContact O-N 3.15Å
411L85.5Confident84.3Confident44 Ų4472.4 Ų72.423%0.2340%0.396CS..THydrogen-bonded Turntrans54.129.3178.8-62.9165.9000113.6N388 L389 K409 V549 K560 M562N388-L411 PolarHBondContact O-N 3.44Å; L389-L411 HydrophobicContact CD2-CD2 3.6Å; K409-L411 PolarHBondContact O-N 3.45Å; L411-V549 HydrophobicContact CD2-CG1 4.45Å; L411-K560 HydrophobicContact CD1-CG 4.18Å; L411-M562 HydrophobicContact CB-CE 4.45Å; L411-M562 HydrophobicContact CD2-CE 3.75Å
412Q86.9Confident85.2Confident82 Ų8270.8 Ų70.838%0.38338%0.378SS..PPolyproline II helixtrans-74130.4172.1-179.9176.8-8.400110.1I408 K409 K410I408-Q412 HydrophobicContact CG2-CB 4.49Å; K409-Q412 HydrophobicContact CB-CB 4.13Å; K409-Q412 VanDerWaalsContact O-CB 3.26Å; K409-Q412 WeakPolarHBondContact O-CB 3.24Å; K409-Q412 PolarHBondContact O-N 2.94Å; K410-Q412 PolarHBondContact O-N 2.97Å; K410-Q412 VanDerWaalsContact O-N 3.15Å
413D84Confident85.9Confident82 Ų8266.9 Ų66.944%0.43937%0.373SS..PPolyproline II helixtrans-63.5127.8169.4-79.4-28.5000110.2S415 M562D413-S415 PolarHBondContact O-N 3.48Å; D413-M562 WeakPolarHBondContact OD1-CA 3.45Å; D413-M562 WeakPolarHBondContact OD1-CB 3.49Å; D413-M562 WeakPolarHBondContact OD1-CG 3.43Å
414P82.3Confident86.2Confident27 Ų2767 Ų6718%0.17538%0.378CS..PPolyproline II helixtrans-57.9138.4174-22.132.1000110.8Q385 F387Q385-P414 HydrophobicContact CB-CB 4.19Å; Q385-P414 HydrophobicContact CB-CG 4.43Å; F387-P414 HydrophobicContact CD1-CG 3.58Å; F387-P414 VanDerWaalsContact CE1-CD 3.44Å; F387-P414 HydrophobicContact CE1-CG 3.2Å; F387-P414 HydrophobicContact CZ-CG 4.15Å
415S75.1Confident86.4Confident98 Ų9868.9 Ų68.969%0.68539%0.394SS*.SBendtrans-73-38.9179.146.30000112.8D413D413-S415 PolarHBondContact O-N 3.48Å
416A82.4Confident86.9Confident54 Ų5464.9 Ų64.945%0.44638%0.378SS..  trans-167.5163.418000000110.5
417Y88.8Confident87.1Confident26 Ų2662.8 Ų62.810%0.10236%0.362CS..PPolyproline II helixtrans-72.4135.8164.2-74.9-86.9000110.7V374 L383 Q385 A451 D470 I472V374-Y417 HydrophobicContact CG1-CD2 3.86Å; V374-Y417 HydrophobicContact CG1-CE2 4.42Å; V374-Y417 HydrophobicContact CG1-CG 4.42Å; V374-Y417 HydrophobicContact CG2-CD2 4.09Å; V374-Y417 HydrophobicContact CG2-CE2 4.35Å; L383-Y417 HydrophobicContact CB-CD1 3.86Å; L383-Y417 HydrophobicContact CB-CG 4.25Å; Q385-Y417 HydrophobicContact CB-CD1 4.03Å; Q385-Y417 HydrophobicContact CB-CE1 4.11Å; Q385-Y417 VanDerWaalsContact CD-CZ 3.48Å; Q385-Y417 HydrophobicContact CG-CD1 4.05Å; Q385-Y417 HydrophobicContact CG-CE1 3.6Å; Q385-Y417 PolarHBondContact NE2-OH 2.86Å; Q385-Y417 VanDerWaalsContact NE2-OH 3.1Å; Y417-A451 HydrophobicContact CD1-CB 4.5Å; Y417-A451 HydrophobicContact CE1-CB 4.09Å; Y417-D470 HydrophobicContact CE1-CB 4.39Å; Y417-D470 VanDerWaalsContact CE1-OD2 3.25Å; Y417-D470 WeakPolarHBondContact CE1-OD2 3.48Å; Y417-D470 WeakPolarHBondContact OH-CB 3.29Å; Y417-D470 PolarHBondContact OH-OD2 3.11Å; Y417-I472 HydrophobicContact CD2-CG2 4.48Å; Y417-I472 HydrophobicContact CE1-CG2 4.28Å; Y417-I472 HydrophobicContact CE2-CG2 3.74Å
418E89.6Confident87.3Confident73 Ų7366.1 Ų66.134%0.34137%0.372SS..EExtended strand (participates in β ladder)trans-96.8144.1172.9-67.5-64.7163.400110.6L383 L384 L403 F404L383-E418 WeakPolarHBondContact CA-O 3.44Å; L384-E418 PolarHBondContact N-O 3.47Å; L384-E418 PolarHBondContact O-N 3.28Å; L403-E418 HydrophobicContact CD2-CB 4.08Å; L403-E418 HydrophobicContact CD2-CG 4.48Å; F404-E418 HydrophobicContact CD1-CG 4.4Å; F404-E418 HydrophobicContact CE1-CB 4.43Å; F404-E418 HydrophobicContact CE1-CG 3.74Å; F404-E418 HydrophobicContact CZ-CB 4.01Å; F404-E418 HydrophobicContact CZ-CG 3.82Å
419L89.7Confident87.3Confident85 Ų8565.8 Ų65.845%0.44537%0.371SS..EExtended strand (participates in β ladder)trans-79.8125.7176.1-77.8166.9000110.9L383L383-L419 HydrophobicContact CD2-CD2 3.59Å; L383-L419 HydrophobicContact CD2-CG 4.12Å; L383-L419 HydrophobicContact CG-CD2 4.47Å
420L88.9Confident87.3Confident4 Ų466.2 Ų66.22%0.02137%0.369CS..EExtended strand (participates in β ladder)trans-109.9108.1-178.4-171.664.5000110.2Q381 S382 L384 V398 L403 L422 L429 F446Q381-L420 CarbonylContact C-O 3.58Å; Q381-L420 WeakPolarHBondContact CA-O 3.31Å; S382-L420 PolarHBondContact N-O 2.81Å; S382-L420 WeakPolarHBondContact O-CA 3.47Å; S382-L420 WeakPolarHBondContact O-CB 3.19Å; S382-L420 PolarHBondContact O-N 3.27Å; L384-L420 HydrophobicContact CB-CB 4.43Å; L384-L420 HydrophobicContact CB-CD2 4.32Å; L384-L420 HydrophobicContact CD2-CD2 4.19Å; V398-L420 HydrophobicContact CG1-CD1 3.97Å; L403-L420 HydrophobicContact CD1-CD1 3.72Å; L420-L422 HydrophobicContact CD2-CD2 4.29Å; L420-L422 HydrophobicContact CG-CD2 4.27Å; L420-L422 PolarHBondContact O-N 3.21Å; L420-L429 HydrophobicContact CD1-CD1 3.87Å; L420-L429 HydrophobicContact CD2-CD1 3.44Å; L420-L429 VanDerWaalsContact CD2-CD1 3.44Å; L420-L429 HydrophobicContact CG-CD1 3.66Å; L420-F446 HydrophobicContact CD2-CD1 3.67Å; L420-F446 HydrophobicContact CD2-CD2 4.41Å; L420-F446 HydrophobicContact CD2-CE1 3.71Å; L420-F446 HydrophobicContact CD2-CE2 4.49Å; L420-F446 HydrophobicContact CD2-CG 4.04Å; L420-F446 HydrophobicContact CD2-CZ 4.14Å
421P88.1Confident87.3Confident87 Ų8761.6 Ų61.657%0.56535%0.349SS*.EExtended strand (participates in β ladder)trans-74.5119.6178.428.2-32.5000111.2
422L87.6Confident87.6Confident3 Ų362 Ų622%0.01635%0.351CS..  trans-92.1-48.6176.8-55.4-176.9000110.5D380 L420 A424 K427 L429 F446 E448D380-L422 WeakPolarHBondContact O-CA 3.31Å; D380-L422 WeakPolarHBondContact O-CB 3.46Å; D380-L422 PolarHBondContact O-N 2.95Å; L420-L422 HydrophobicContact CD2-CD2 4.29Å; L420-L422 HydrophobicContact CG-CD2 4.27Å; L420-L422 PolarHBondContact O-N 3.21Å; L422-A424 WeakPolarHBondContact CB-O 3.48Å; L422-A424 PolarHBondContact O-N 2.94Å; L422-K427 HydrophobicContact CB-CB 4.26Å; L422-K427 HydrophobicContact CD2-CB 4.35Å; L422-K427 WeakPolarHBondContact O-CD 3.24Å; L422-K427 PolarHBondContact O-NZ 3.25Å; L422-L429 HydrophobicContact CD2-CD1 3.67Å; L422-F446 HydrophobicContact CD1-CB 4.03Å; L422-F446 HydrophobicContact CD2-CB 3.69Å; L422-F446 HydrophobicContact CD2-CG 4.38Å; L422-E448 HydrophobicContact CD1-CB 4.28Å
423G83.9Confident87.8Confident66 Ų6658.1 Ų58.168%0.6833%0.333SS*.SBendtrans7212.1-174.600000114.1D380D380-G423 PolarHBondContact O-N 3.49Å; D380-G423 VanDerWaalsContact O-N 3.1Å
424A86.1Confident88.2Confident33 Ų3358.5 Ų58.527%0.27333%0.333SS..SBendtrans-158160.4173.300000108.4L422 N426L422-A424 WeakPolarHBondContact CB-O 3.48Å; L422-A424 PolarHBondContact O-N 2.94Å; A424-N426 VanDerWaalsContact C-N 3.28Å; A424-N426 PolarHBondContact O-N 3.4Å
425P88.1Confident88.6Confident77 Ų7757.8 Ų57.850%0.533%0.327SS..SBendtrans-57.9-41.1179.4-24.933.5000112.7E447 E448P425-E447 CarbonylContact O-C 3.58Å; P425-E447 WeakPolarHBondContact O-CA 3.45Å; P425-E448 PolarHBondContact O-N 3.35Å
426N90.1Very high89.1Confident78 Ų7859.2 Ų59.242%0.41732%0.321SS..EExtended strand (participates in β ladder)trans-127.7142.3173.3-68.415.4000109.7A424 E445 F446A424-N426 VanDerWaalsContact C-N 3.28Å; A424-N426 PolarHBondContact O-N 3.4Å; N426-E445 HydrophobicContact CB-CG 4.49Å; N426-E445 WeakPolarHBondContact CB-OE1 3.48Å; N426-E445 PolarHBondContact ND2-OE1 3.46Å; N426-F446 CarbonylContact C-O 3.59Å; N426-F446 VanDerWaalsContact CA-O 3.25Å; N426-F446 WeakPolarHBondContact CA-O 3.38Å
427K91.4Very high89.2Confident88 Ų8866.1 Ų66.138%0.38334%0.344SS..EExtended strand (participates in β ladder)trans-151.3134.1174.6-175.3170.3176.7-175.20112.1L422 L429 F446L422-K427 HydrophobicContact CB-CB 4.26Å; L422-K427 HydrophobicContact CD2-CB 4.35Å; L422-K427 WeakPolarHBondContact O-CD 3.24Å; L422-K427 PolarHBondContact O-NZ 3.25Å; K427-L429 HydrophobicContact CD-CD2 4.06Å; K427-L429 HydrophobicContact CG-CD2 4.19Å; K427-L429 HydrophobicContact CG-CG 4.32Å; K427-F446 PolarHBondContact N-O 3.17Å; K427-F446 PolarHBondContact O-N 3.05Å
428E92.4Very high89.2Confident138 Ų13868.1 Ų68.165%0.64536%0.36SS*.EExtended strand (participates in β ladder)trans-78.7125.5167.6-166.6179.6-176.500109.8S443 H444E428-S443 WeakPolarHBondContact OE1-CB 3.45Å; E428-H444 WeakPolarHBondContact CA-O 3.38Å
429L90.5Very high89.2Confident12 Ų1268.1 Ų68.16%0.06337%0.368CS..EExtended strand (participates in β ladder)trans-119.3138.6178.4-70.1173.5000110.2L420 L422 K427 F431 S443 H444 F446L420-L429 HydrophobicContact CD1-CD1 3.87Å; L420-L429 HydrophobicContact CD2-CD1 3.44Å; L420-L429 VanDerWaalsContact CD2-CD1 3.44Å; L420-L429 HydrophobicContact CG-CD1 3.66Å; L422-L429 HydrophobicContact CD2-CD1 3.67Å; K427-L429 HydrophobicContact CD-CD2 4.06Å; K427-L429 HydrophobicContact CG-CD2 4.19Å; K427-L429 HydrophobicContact CG-CG 4.32Å; L429-F431 HydrophobicContact CB-CE2 3.97Å; L429-F431 HydrophobicContact CB-CZ 4.23Å; L429-F431 WeakPolarHBondContact O-CE2 3.38Å; L429-S443 WeakPolarHBondContact O-CA 3.48Å; L429-H444 PolarHBondContact N-O 3.05Å; L429-H444 PolarHBondContact O-N 2.88Å; L429-H444 VanDerWaalsContact O-N 3.08Å; L429-F446 HydrophobicContact CB-CD2 4.14Å; L429-F446 HydrophobicContact CB-CE2 4.18Å; L429-F446 HydrophobicContact CD1-CD2 4.08Å; L429-F446 HydrophobicContact CD1-CE2 4.5Å; L429-F446 HydrophobicContact CD1-CG 4.46Å; L429-F446 HydrophobicContact CG-CD2 4.38Å
430R91.4Very high89.2Confident136 Ų13667 Ų6751%0.51336%0.358SS..EExtended strand (participates in β ladder)trans-99.1131.5177.7-176.9178168.41544.5110.2A399 D432 S441A399-R430 HydrophobicContact CB-CB 4.39Å; A399-R430 WeakPolarHBondContact CB-O 3.42Å; A399-R430 PolarHBondContact N-O 3.02Å; R430-D432 IonicContact NE-OD1 2.7Å; R430-D432 PolarHBondContact NE-OD1 2.89Å; R430-D432 IonicContact NH2-OD1 2.65Å; R430-S441 VanDerWaalsContact CG-OG 3.26Å; R430-S441 WeakPolarHBondContact CG-OG 3.4Å; R430-S441 PolarHBondContact NE-OG 2.91Å; R430-S441 PolarHBondContact NH2-OG 3.45Å
431F91.3Very high89.3Confident0 Ų069.3 Ų69.30%037%0.374CS..EExtended strand (participates in β ladder)trans-112.4132.5176.5-60.6-94.4000109.2L384 V396 K397 V398 L429 S441 C442 F446 L454L384-F431 HydrophobicContact CD2-CE1 3.5Å; L384-F431 VanDerWaalsContact CD2-CE1 3.5Å; L384-F431 HydrophobicContact CD2-CZ 3.93Å; V396-F431 HydrophobicContact CG1-CB 4.45Å; V396-F431 HydrophobicContact CG1-CD1 4.01Å; K397-F431 CarbonylContact O-C 3.58Å; K397-F431 WeakPolarHBondContact O-CA 3.32Å; V398-F431 HydrophobicContact CB-CD1 4.42Å; V398-F431 HydrophobicContact CB-CE1 4.28Å; V398-F431 HydrophobicContact CG1-CD1 4.42Å; V398-F431 HydrophobicContact CG1-CE1 3.99Å; V398-F431 HydrophobicContact CG1-CZ 4.38Å; V398-F431 HydrophobicContact CG2-CD1 3.71Å; V398-F431 HydrophobicContact CG2-CE1 3.49Å; V398-F431 VanDerWaalsContact CG2-CE1 3.49Å; L429-F431 HydrophobicContact CB-CE2 3.97Å; L429-F431 HydrophobicContact CB-CZ 4.23Å; L429-F431 WeakPolarHBondContact O-CE2 3.38Å; F431-S441 CarbonylContact O-C 3.6Å; F431-S441 WeakPolarHBondContact O-CA 3.44Å; F431-S441 PolarHBondContact O-OG 3.05Å; F431-C442 PolarHBondContact N-O 3.2Å; F431-C442 PolarHBondContact O-N 3.45Å; F431-F446 AromaticContact CE2-CE2 3.53Å; F431-F446 HydrophobicContact CE2-CE2 3.53Å; F431-F446 AromaticContact CE2-CZ 3.73Å; F431-F446 HydrophobicContact CE2-CZ 3.73Å; F431-F446 AromaticContact CZ-CE2 3.66Å; F431-F446 HydrophobicContact CZ-CE2 3.66Å; F431-F446 AromaticContact CZ-CZ 3.49Å; F431-F446 HydrophobicContact CZ-CZ 3.49Å; F431-F446 VanDerWaalsContact CZ-CZ 3.49Å; F431-L454 HydrophobicContact CB-CD2 4.41Å; F431-L454 HydrophobicContact CD1-CD2 3.84Å; F431-L454 HydrophobicContact CD2-CD2 4.46Å; F431-L454 HydrophobicContact CE1-CD2 4.28Å; F431-L454 HydrophobicContact CG-CD2 3.96Å
432D91.1Very high89.5Confident54 Ų5466 Ų6629%0.28935%0.353SS..EExtended strand (participates in β ladder)trans-104.8116.7171.4-63.6-41.4000108.2K397 R430 Y440 S441K397-D432 PolarHBondContact N-O 2.79Å; K397-D432 PolarHBondContact O-N 3.2Å; R430-D432 IonicContact NE-OD1 2.7Å; R430-D432 PolarHBondContact NE-OD1 2.89Å; R430-D432 IonicContact NH2-OD1 2.65Å; D432-Y440 CarbonylContact C-O 3.55Å; D432-Y440 WeakPolarHBondContact CA-O 3.12Å; D432-S441 WeakPolarHBondContact OD1-CB 3.25Å; D432-S441 PolarHBondContact OD1-OG 3.1Å
433V91.8Very high89.7Confident0 Ų068.5 Ų68.50%037%0.371CS..EExtended strand (participates in β ladder)trans-109.9115.2-175.7-176.30000108.7V394 S395 V396 Y440 V456 I463V394-V433 HydrophobicContact CB-CG1 4.25Å; V394-V433 HydrophobicContact CG1-CG1 4.47Å; S395-V433 WeakPolarHBondContact O-CA 3.44Å; V396-V433 HydrophobicContact CG1-CG2 4.48Å; V396-V433 HydrophobicContact CG2-CG1 4.35Å; V396-V433 HydrophobicContact CG2-CG2 4.21Å; V433-Y440 PolarHBondContact N-O 3.44Å; V433-Y440 PolarHBondContact O-N 3.17Å; V433-V456 HydrophobicContact CG1-CG1 3.95Å; V433-I463 HydrophobicContact CG1-CG2 4.29Å
434M90.7Very high90.2Very high90 Ų9067.3 Ų67.344%0.44335%0.348SS..EExtended strand (participates in β ladder)trans-91.5125173.3-63.7-123.4-58.900110.3V394 S395 T438V394-M434 WeakPolarHBondContact CA-O 3.23Å; S395-M434 PolarHBondContact N-O 2.87Å; S395-M434 PolarHBondContact O-N 3.44Å; M434-T438 WeakPolarHBondContact CA-O 3.38Å
435F91Very high90.5Very high11 Ų1171.3 Ų71.35%0.04836%0.361CS..EExtended strand (participates in β ladder)trans-140.4127.4177.1177.9-113.6000109.7A390 V394 E437 T438 Y440 E458 I463A390-F435 HydrophobicContact CB-CD2 4.18Å; A390-F435 HydrophobicContact CB-CE2 3.7Å; A390-F435 HydrophobicContact CB-CZ 4.06Å; V394-F435 HydrophobicContact CG1-CB 4.34Å; V394-F435 HydrophobicContact CG1-CD2 3.77Å; V394-F435 HydrophobicContact CG1-CG 4.44Å; F435-E437 VanDerWaalsContact C-N 3.26Å; F435-E437 PolarHBondContact O-N 3.14Å; F435-T438 PolarHBondContact N-O 3.34Å; F435-T438 PolarHBondContact O-N 3.14Å; F435-Y440 HydrophobicContact CB-CD2 4.38Å; F435-Y440 HydrophobicContact CB-CE2 4.23Å; F435-E458 HydrophobicContact CE1-CG 4.08Å; F435-E458 HydrophobicContact CZ-CG 4.08Å; F435-E458 VanDerWaalsContact CZ-OE1 3.28Å; F435-E458 WeakPolarHBondContact CZ-OE1 3.49Å; F435-I463 HydrophobicContact CB-CD1 4.18Å; F435-I463 HydrophobicContact CB-CG1 3.76Å; F435-I463 HydrophobicContact CD1-CD1 3.65Å; F435-I463 HydrophobicContact CD1-CG1 3.7Å; F435-I463 HydrophobicContact CD2-CD1 4.31Å; F435-I463 HydrophobicContact CE1-CD1 4Å; F435-I463 HydrophobicContact CE1-CG1 4.46Å; F435-I463 HydrophobicContact CG-CD1 3.8Å; F435-I463 HydrophobicContact CG-CG1 3.86Å; F435-I463 HydrophobicContact CZ-CD1 4.46Å
436K87.3Confident90.7Very high129 Ų12967.6 Ų67.656%0.56134%0.337SS*.THydrogen-bonded Turntrans45.849.1-179-64.2176.6179.5162.20112.5D391 T438D391-K436 PolarHBondContact O-NZ 3.27Å; K436-T438 PolarHBondContact O-N 2.93Å; K436-T438 VanDerWaalsContact O-N 3.09Å
437E84.2Confident90.8Very high198 Ų19867.5 Ų67.593%0.92533%0.334SS*.THydrogen-bonded Turntrans64.44.9-179.1-54-178.4170.200116.2F435F435-E437 VanDerWaalsContact C-N 3.26Å; F435-E437 PolarHBondContact O-N 3.14Å
438T88.2Confident90.8Very high69 Ų6965.8 Ų65.842%0.42333%0.327SS..EExtended strand (participates in β ladder)trans-104.9135.2174.9-52.80000110.2M434 F435 K436 Y440M434-T438 WeakPolarHBondContact CA-O 3.38Å; F435-T438 PolarHBondContact N-O 3.34Å; F435-T438 PolarHBondContact O-N 3.14Å; K436-T438 PolarHBondContact O-N 2.93Å; K436-T438 VanDerWaalsContact O-N 3.09Å; T438-Y440 HydrophobicContact CG2-CD2 4.49Å; T438-Y440 HydrophobicContact CG2-CE1 4.22Å; T438-Y440 HydrophobicContact CG2-CE2 3.79Å
439S88.9Confident90.5Very high73 Ų7366.6 Ų66.651%0.5132%0.324SS..EExtended strand (participates in β ladder)trans-94.3123.9176.2-165.80000110.1
440Y91.3Very high90.5Very high60 Ų6068.5 Ų68.524%0.23533%0.332CS..EExtended strand (participates in β ladder)trans-107.7159.8170.7-58.9-85.9000108.9D432 V433 F435 T438 G462 I463D432-Y440 CarbonylContact C-O 3.55Å; D432-Y440 WeakPolarHBondContact CA-O 3.12Å; V433-Y440 PolarHBondContact N-O 3.44Å; V433-Y440 PolarHBondContact O-N 3.17Å; F435-Y440 HydrophobicContact CB-CD2 4.38Å; F435-Y440 HydrophobicContact CB-CE2 4.23Å; T438-Y440 HydrophobicContact CG2-CD2 4.49Å; T438-Y440 HydrophobicContact CG2-CE1 4.22Å; T438-Y440 HydrophobicContact CG2-CE2 3.79Å; Y440-G462 VanDerWaalsContact CE1-CA 3.42Å; Y440-G462 WeakPolarHBondContact OH-CA 3.38Å; Y440-I463 HydrophobicContact CD1-CB 4.42Å; Y440-I463 HydrophobicContact CD2-CB 3.84Å; Y440-I463 HydrophobicContact CD2-CG1 3.79Å; Y440-I463 HydrophobicContact CE2-CB 4.32Å; Y440-I463 HydrophobicContact CE2-CG1 3.92Å; Y440-I463 HydrophobicContact CG-CB 3.89Å; Y440-I463 HydrophobicContact CG-CG1 4.36Å
441S90.8Very high90.6Very high53 Ų5362.2 Ų62.237%0.37131%0.309SS..EExtended strand (participates in β ladder)trans-137.3141.4175.6-162.80000111.3R430 F431 D432R430-S441 VanDerWaalsContact CG-OG 3.26Å; R430-S441 WeakPolarHBondContact CG-OG 3.4Å; R430-S441 PolarHBondContact NE-OG 2.91Å; R430-S441 PolarHBondContact NH2-OG 3.45Å; F431-S441 CarbonylContact O-C 3.6Å; F431-S441 WeakPolarHBondContact O-CA 3.44Å; F431-S441 PolarHBondContact O-OG 3.05Å; D432-S441 WeakPolarHBondContact OD1-CB 3.25Å; D432-S441 PolarHBondContact OD1-OG 3.1Å
442C90.8Very high90.6Very high18 Ų1862.8 Ų62.812%0.12231%0.311CS..EExtended strand (participates in β ladder)trans-137.2141.2179.249.30000110F431 C465F431-C442 PolarHBondContact N-O 3.2Å; F431-C442 PolarHBondContact O-N 3.45Å; C442-C465 HydrophobicContact CB-CB 3.4Å; C442-C465 WeakPolarHBondContact CB-SG 3.32Å; C442-C465 WeakPolarHBondContact SG-CB 3.15Å; C442-C465 CovalentContact SG-SG 2.04Å; C442-C465 PolarHBondContact SG-SG 3.22Å
443S92.9Very high90.7Very high56 Ų5660.2 Ų60.239%0.39230%0.298SS..EExtended strand (participates in β ladder)trans-119.5135178.4-60.10000109.8E428 L429E428-S443 WeakPolarHBondContact OE1-CB 3.45Å; L429-S443 WeakPolarHBondContact O-CA 3.48Å
444H93.9Very high90.7Very high41 Ų4160.2 Ų60.219%0.1930%0.298CS..EExtended strand (participates in β ladder)trans-140.4149.2176.8-64.2-70.7000110.7E428 L429 F446 C465 L467E428-H444 WeakPolarHBondContact CA-O 3.38Å; L429-H444 PolarHBondContact N-O 3.05Å; L429-H444 PolarHBondContact O-N 2.88Å; L429-H444 VanDerWaalsContact O-N 3.08Å; H444-F446 HydrophobicContact CB-CE2 3.94Å; H444-F446 WeakPolarHBondContact O-CD2 3.34Å; H444-C465 PolarHBondContact CE1-O 3.05Å; H444-C465 PolarHBondContact NE2-O 3.06Å; H444-L467 HydrophobicContact CB-CB 4.15Å; H444-L467 HydrophobicContact CB-CD2 3.96Å; H444-L467 HydrophobicContact CB-CG 4.46Å
445E93.2Very high90.8Very high116 Ų11656 Ų5654%0.54228%0.277SS..EExtended strand (participates in β ladder)trans-84.2133.9173-170.1176.8-178.500110.1N426 L467N426-E445 HydrophobicContact CB-CG 4.49Å; N426-E445 WeakPolarHBondContact CB-OE1 3.48Å; N426-E445 PolarHBondContact ND2-OE1 3.46Å; E445-L467 WeakPolarHBondContact O-CD2 3.37Å
446F92.1Very high90.9Very high0 Ų055.5 Ų55.50%028%0.275CS..EExtended strand (participates in β ladder)trans-117140.5175.4-69.9-102.1000108.8L384 L420 L422 N426 K427 L429 F431 H444 Y452 L467L384-F446 HydrophobicContact CD1-CE1 4.08Å; L384-F446 HydrophobicContact CD1-CZ 4.35Å; L420-F446 HydrophobicContact CD2-CD1 3.67Å; L420-F446 HydrophobicContact CD2-CD2 4.41Å; L420-F446 HydrophobicContact CD2-CE1 3.71Å; L420-F446 HydrophobicContact CD2-CE2 4.49Å; L420-F446 HydrophobicContact CD2-CG 4.04Å; L420-F446 HydrophobicContact CD2-CZ 4.14Å; L422-F446 HydrophobicContact CD1-CB 4.03Å; L422-F446 HydrophobicContact CD2-CB 3.69Å; L422-F446 HydrophobicContact CD2-CG 4.38Å; N426-F446 CarbonylContact C-O 3.59Å; N426-F446 VanDerWaalsContact CA-O 3.25Å; N426-F446 WeakPolarHBondContact CA-O 3.38Å; K427-F446 PolarHBondContact N-O 3.17Å; K427-F446 PolarHBondContact O-N 3.05Å; L429-F446 HydrophobicContact CB-CD2 4.14Å; L429-F446 HydrophobicContact CB-CE2 4.18Å; L429-F446 HydrophobicContact CD1-CD2 4.08Å; L429-F446 HydrophobicContact CD1-CE2 4.5Å; L429-F446 HydrophobicContact CD1-CG 4.46Å; L429-F446 HydrophobicContact CG-CD2 4.38Å; F431-F446 AromaticContact CE2-CE2 3.53Å; F431-F446 HydrophobicContact CE2-CE2 3.53Å; F431-F446 AromaticContact CE2-CZ 3.73Å; F431-F446 HydrophobicContact CE2-CZ 3.73Å; F431-F446 AromaticContact CZ-CE2 3.66Å; F431-F446 HydrophobicContact CZ-CE2 3.66Å; F431-F446 AromaticContact CZ-CZ 3.49Å; F431-F446 HydrophobicContact CZ-CZ 3.49Å; F431-F446 VanDerWaalsContact CZ-CZ 3.49Å; H444-F446 HydrophobicContact CB-CE2 3.94Å; H444-F446 WeakPolarHBondContact O-CD2 3.34Å; F446-Y452 HydrophobicContact CB-CE2 4.37Å; F446-Y452 AromaticContact CD1-CD2 3.49Å; F446-Y452 HydrophobicContact CD1-CD2 3.49Å; F446-Y452 VanDerWaalsContact CD1-CD2 3.49Å; F446-Y452 AromaticContact CD1-CE2 3.83Å; F446-Y452 HydrophobicContact CD1-CE2 3.83Å; F446-Y452 HydrophobicContact CD1-CG 4.1Å; F446-Y452 AromaticContact CE1-CD2 3.91Å; F446-Y452 HydrophobicContact CE1-CD2 3.91Å; F446-Y452 HydrophobicContact CE1-CG 4.11Å; F446-Y452 HydrophobicContact CG-CE2 4.48Å; F446-L467 HydrophobicContact CD1-CD2 4.46Å; F446-L467 HydrophobicContact CE1-CD1 3.69Å; F446-L467 HydrophobicContact CE1-CD2 4.15Å; F446-L467 HydrophobicContact CE2-CD1 4.34Å; F446-L467 HydrophobicContact CE2-CD2 4.3Å; F446-L467 HydrophobicContact CZ-CD1 3.46Å; F446-L467 VanDerWaalsContact CZ-CD1 3.46Å; F446-L467 HydrophobicContact CZ-CD2 4.05Å; F446-L467 HydrophobicContact CZ-CG 4.43Å
447E91.8Very high91.1Very high75 Ų7549.6 Ų49.635%0.3525%0.249SC..EExtended strand (participates in β ladder)trans-103.6146.4169.2-56171.4-157.500109.2P425 K450 Y452P425-E447 CarbonylContact O-C 3.58Å; P425-E447 WeakPolarHBondContact O-CA 3.45Å; E447-K450 HydrophobicContact CB-CD 4.09Å; E447-K450 IonicContact OE1-NZ 2.72Å; E447-K450 WeakPolarHBondContact OE2-CE 3.29Å; E447-K450 IonicContact OE2-NZ 3.83Å; E447-K450 PolarHBondContact OE2-NZ 3.07Å; E447-Y452 PolarHBondContact N-OH 3.2Å
448E90.7Very high91.2Very high53 Ų5343.5 Ų43.525%0.24822%0.221CC..THydrogen-bonded Turntrans-62156.2175.565.6168.7175.200112.2D380 Q381 L422 P425 K450D380-E448 PolarHBondContact N-OE2 3.04Å; Q381-E448 CarbonylContact O-C 3.52Å; Q381-E448 VanDerWaalsContact O-CA 3.31Å; Q381-E448 WeakPolarHBondContact O-CA 3.48Å; L422-E448 HydrophobicContact CD1-CB 4.28Å; P425-E448 PolarHBondContact O-N 3.35Å; E448-K450 PolarHBondContact O-N 2.94Å
449R87.3Confident91.1Very high154 Ų15445.4 Ų45.458%0.58122%0.223SC*.THydrogen-bonded Turntrans62.43.1177.8-51.1-179-178.4-170.6-1.4115.9Q381Q381-R449 PolarHBondContact O-N 3.34Å
450K90.4Very high90.5Very high53 Ų5346.8 Ų46.823%0.2324%0.239CC..  trans-97.3158.1174-71.7-169.6172.8178.80112.1S382 L383 E447 E448 Y452 E469S382-K450 WeakPolarHBondContact CA-O 3.21Å; S382-K450 PolarHBondContact OG-O 2.82Å; L383-K450 PolarHBondContact N-O 2.88Å; E447-K450 HydrophobicContact CB-CD 4.09Å; E447-K450 IonicContact OE1-NZ 2.72Å; E447-K450 WeakPolarHBondContact OE2-CE 3.29Å; E447-K450 IonicContact OE2-NZ 3.83Å; E447-K450 PolarHBondContact OE2-NZ 3.07Å; E448-K450 PolarHBondContact O-N 2.94Å; K450-Y452 HydrophobicContact CB-CD2 4.3Å; K450-Y452 HydrophobicContact CB-CE2 3.53Å; K450-Y452 WeakPolarHBondContact CD-OH 3.5Å; K450-E469 HydrophobicContact CD-CG 4.28Å; K450-E469 WeakPolarHBondContact CE-OE1 3.38Å; K450-E469 WeakPolarHBondContact CE-OE2 3.38Å; K450-E469 IonicContact NZ-OE1 3.02Å; K450-E469 IonicContact NZ-OE2 2.74Å; K450-E469 PolarHBondContact NZ-OE2 3.03Å
451A92Very high89.4Confident4 Ų450.5 Ų50.53%0.03327%0.27CS..EExtended strand (participates in β ladder)trans-110.4141.5171.500000109.7L383 Y417 D470 I472L383-A451 HydrophobicContact CB-CB 3.86Å; L383-A451 HydrophobicContact CD1-CB 4.28Å; L383-A451 CarbonylContact O-C 3.59Å; L383-A451 WeakPolarHBondContact O-CA 3.41Å; Y417-A451 HydrophobicContact CD1-CB 4.5Å; Y417-A451 HydrophobicContact CE1-CB 4.09Å; A451-D470 HydrophobicContact CB-CB 3.99Å; A451-D470 PolarHBondContact O-N 2.95Å; A451-I472 HydrophobicContact CB-CD1 4.08Å; A451-I472 HydrophobicContact CB-CG1 4.23Å; A451-I472 HydrophobicContact CB-CG2 3.53Å
452Y92.6Very high89.2Confident12 Ų1248.7 Ų48.75%0.04726%0.26CS..EExtended strand (participates in β ladder)trans-136.3147.8-178.8-61.9-86.7000112.4S382 L383 L384 Q385 F446 E447 K450 L467 V468 E469 D470S382-Y452 VanDerWaalsContact OG-CD2 3.3Å; S382-Y452 WeakPolarHBondContact OG-CD2 3.43Å; S382-Y452 WeakPolarHBondContact OG-CE2 3.39Å; L383-Y452 PolarHBondContact O-N 3.5Å; L384-Y452 WeakPolarHBondContact CA-O 3.43Å; Q385-Y452 PolarHBondContact N-O 2.88Å; F446-Y452 HydrophobicContact CB-CE2 4.37Å; F446-Y452 AromaticContact CD1-CD2 3.49Å; F446-Y452 HydrophobicContact CD1-CD2 3.49Å; F446-Y452 VanDerWaalsContact CD1-CD2 3.49Å; F446-Y452 AromaticContact CD1-CE2 3.83Å; F446-Y452 HydrophobicContact CD1-CE2 3.83Å; F446-Y452 HydrophobicContact CD1-CG 4.1Å; F446-Y452 AromaticContact CE1-CD2 3.91Å; F446-Y452 HydrophobicContact CE1-CD2 3.91Å; F446-Y452 HydrophobicContact CE1-CG 4.11Å; F446-Y452 HydrophobicContact CG-CE2 4.48Å; E447-Y452 PolarHBondContact N-OH 3.2Å; K450-Y452 HydrophobicContact CB-CD2 4.3Å; K450-Y452 HydrophobicContact CB-CE2 3.53Å; K450-Y452 WeakPolarHBondContact CD-OH 3.5Å; Y452-L467 HydrophobicContact CD1-CD1 4.31Å; Y452-L467 HydrophobicContact CD1-CD2 3.56Å; Y452-L467 HydrophobicContact CD1-CG 3.75Å; Y452-L467 HydrophobicContact CE1-CD2 3.85Å; Y452-L467 HydrophobicContact CE1-CG 4.47Å; Y452-L467 HydrophobicContact CG-CD1 4.22Å; Y452-L467 HydrophobicContact CG-CD2 4.04Å; Y452-L467 HydrophobicContact CG-CG 4.16Å; Y452-V468 CarbonylContact C-O 3.57Å; Y452-V468 VanDerWaalsContact CA-O 3.24Å; Y452-V468 WeakPolarHBondContact CA-O 3.49Å; Y452-E469 HydrophobicContact CD1-CB 4.15Å; Y452-E469 HydrophobicContact CE1-CB 4.04Å; Y452-E469 HydrophobicContact CE1-CG 4.3Å; Y452-D470 VanDerWaalsContact C-OD2 3.3Å
453S91.9Very high89.2Confident0 Ų048.8 Ų48.80%026%0.259CS..EExtended strand (participates in β ladder)trans-106.7121.4165.5-74.80000109.9Q385 F387 V468 D470Q385-S453 VanDerWaalsContact CG-OG 3.29Å; Q385-S453 WeakPolarHBondContact CG-OG 3.36Å; Q385-S453 PolarHBondContact NE2-OG 3.3Å; Q385-S453 WeakPolarHBondContact O-CA 3.49Å; F387-S453 WeakPolarHBondContact CE2-OG 3.44Å; S453-V468 PolarHBondContact N-O 3.2Å; S453-V468 PolarHBondContact O-N 3.49Å; S453-D470 WeakPolarHBondContact CB-OD1 3.48Å; S453-D470 WeakPolarHBondContact CB-OD2 3.46Å; S453-D470 PolarHBondContact N-OD1 3.48Å; S453-D470 PolarHBondContact N-OD2 3.39Å; S453-D470 PolarHBondContact OG-OD1 3.23Å; S453-D470 PolarHBondContact OG-OD2 3.25Å
454L92.6Very high89Confident0 Ų049.8 Ų49.80%026%0.257CS..EExtended strand (participates in β ladder)trans-88.7107.8169.3-175.172.5000109.1L384 Q385 V386 F387 V396 F431 V456 C465 L467L384-L454 HydrophobicContact CD1-CB 3.92Å; Q385-L454 PolarHBondContact O-N 2.89Å; V386-L454 WeakPolarHBondContact CA-O 3.37Å; V386-L454 HydrophobicContact CG2-CB 4.31Å; V386-L454 HydrophobicContact CG2-CD2 4.43Å; F387-L454 PolarHBondContact N-O 3.37Å; V396-L454 HydrophobicContact CG1-CD2 4.31Å; F431-L454 HydrophobicContact CB-CD2 4.41Å; F431-L454 HydrophobicContact CD1-CD2 3.84Å; F431-L454 HydrophobicContact CD2-CD2 4.46Å; F431-L454 HydrophobicContact CE1-CD2 4.28Å; F431-L454 HydrophobicContact CG-CD2 3.96Å; L454-V456 HydrophobicContact CG-CG2 4.49Å; L454-C465 HydrophobicContact CD1-CB 3.88Å; L454-L467 HydrophobicContact CB-CD1 4.49Å; L454-L467 HydrophobicContact CD1-CD1 4.17Å
455I92.2Very high88.9Confident2 Ų248.5 Ų48.51%0.0125%0.253CS..EExtended strand (participates in β ladder)trans-90.9118.4179.8-53.3179.9000108.7F387 L389 C465 K466 V468 F485 M509F387-I455 HydrophobicContact CB-CG1 4.4Å; F387-I455 HydrophobicContact CD2-CG1 4.08Å; L389-I455 HydrophobicContact CD1-CG2 3.5Å; L389-I455 VanDerWaalsContact CD1-CG2 3.5Å; L389-I455 HydrophobicContact CG-CG2 4.05Å; I455-C465 CarbonylContact O-C 3.59Å; I455-C465 WeakPolarHBondContact O-CA 3.38Å; I455-K466 HydrophobicContact CB-CB 4.42Å; I455-K466 PolarHBondContact N-O 3.29Å; I455-K466 PolarHBondContact O-N 3.41Å; I455-V468 HydrophobicContact CD1-CB 4.45Å; I455-V468 HydrophobicContact CD1-CG2 3.62Å; I455-V468 HydrophobicContact CG1-CG2 4.36Å; I455-F485 HydrophobicContact CD1-CD2 3.58Å; I455-F485 HydrophobicContact CD1-CE1 4.35Å; I455-F485 HydrophobicContact CD1-CE2 3.22Å; I455-F485 HydrophobicContact CD1-CG 4.26Å; I455-F485 HydrophobicContact CD1-CZ 3.65Å; I455-F485 HydrophobicContact CG2-CE1 4.03Å; I455-F485 HydrophobicContact CG2-CE2 4.46Å; I455-F485 HydrophobicContact CG2-CZ 3.78Å; I455-M509 HydrophobicContact CD1-CE 4.04Å
456V93Very high88.8Confident0 Ų046 Ų460%024%0.241CC..EExtended strand (participates in β ladder)trans-104.2119.7178.3-177.50000108.3V386 F387 L389 V394 V433 L454 I463V386-V456 HydrophobicContact CG1-CG2 4.05Å; F387-V456 PolarHBondContact O-N 2.96Å; L389-V456 WeakPolarHBondContact CA-O 3.23Å; L389-V456 WeakPolarHBondContact CB-O 3.31Å; L389-V456 PolarHBondContact N-O 3.21Å; V394-V456 HydrophobicContact CG1-CG1 4.15Å; V433-V456 HydrophobicContact CG1-CG1 3.95Å; L454-V456 HydrophobicContact CG-CG2 4.49Å; V456-I463 HydrophobicContact CG1-CD1 4.46Å; V456-I463 HydrophobicContact CG1-CG2 3.48Å; V456-I463 VanDerWaalsContact CG1-CG2 3.48Å
457H91.2Very high88.8Confident4 Ų447.7 Ų47.72%0.01925%0.249CC..EExtended strand (participates in β ladder)trans-138.4160.6178.97187.7000112.3L389 I463 E464 Y507L389-H457 HydrophobicContact CB-CB 4.16Å; H457-I463 WeakPolarHBondContact O-CA 3.1Å; H457-E464 IonicContact CE1-OE2 3.55Å; H457-E464 PolarHBondContact CE1-OE2 3.49Å; H457-E464 PolarHBondContact N-O 3.25Å; H457-E464 IonicContact NE2-OE2 3.71Å; H457-E464 PolarHBondContact O-N 2.96Å; H457-Y507 HydrophobicContact CB-CD1 3.83Å; H457-Y507 HydrophobicContact CB-CE1 3.51Å; H457-Y507 AromaticContact CD2-CD1 3.75Å; H457-Y507 AromaticContact CD2-CG 3.96Å; H457-Y507 AromaticContact CE1-CD2 3.69Å; H457-Y507 AromaticContact CE1-CE2 3.95Å; H457-Y507 AromaticContact CE1-CG 3.76Å; H457-Y507 AromaticContact CG-CD1 3.51Å; H457-Y507 AromaticContact CG-CE1 3.53Å; H457-Y507 AromaticContact CG-CG 3.97Å; H457-Y507 AromaticContact CG-CZ 3.98Å; H457-Y507 AromaticContact ND1-CD1 3.75Å; H457-Y507 AromaticContact ND1-CD2 3.83Å; H457-Y507 AromaticContact ND1-CE1 3.62Å; H457-Y507 AromaticContact ND1-CE2 3.68Å; H457-Y507 AromaticContact ND1-CG 3.85Å; H457-Y507 AromaticContact ND1-CZ 3.57Å; H457-Y507 AromaticContact NE2-CG 3.81Å
458E88.2Confident88.7Confident70 Ų7045 Ų4533%0.32724%0.238SC..EExtended strand (participates in β ladder)trans-76.6138.4176.2-71.1-175.2-131.200111.6A390 D391 F435 I463A390-E458 HydrophobicContact CB-CG 3.89Å; D391-E458 WeakPolarHBondContact CA-OE1 3.23Å; D391-E458 WeakPolarHBondContact CB-OE1 3.29Å; D391-E458 PolarHBondContact N-OE1 3.45Å; F435-E458 HydrophobicContact CE1-CG 4.08Å; F435-E458 HydrophobicContact CZ-CG 4.08Å; F435-E458 VanDerWaalsContact CZ-OE1 3.28Å; F435-E458 WeakPolarHBondContact CZ-OE1 3.49Å; E458-I463 HydrophobicContact CG-CD1 3.83Å
459K84.5Confident88.7Confident110 Ų11047.4 Ų47.448%0.47825%0.249SC..EExtended strand (participates in β ladder)trans-144.4106.5170.1177.2168.4175.7-1800108.3G462 E464K459-G462 CarbonylContact C-O 3.57Å; K459-G462 PolarHBondContact N-O 2.97Å; K459-G462 CarbonylContact O-C 3.45Å; K459-G462 PolarHBondContact O-N 3.42Å; K459-E464 HydrophobicContact CB-CB 4.09Å; K459-E464 HydrophobicContact CD-CB 4.17Å; K459-E464 HydrophobicContact CD-CG 4.49Å; K459-E464 WeakPolarHBondContact CD-OE2 3.19Å; K459-E464 IonicContact NZ-OE1 3.45Å; K459-E464 PolarHBondContact NZ-OE1 3.06Å; K459-E464 IonicContact NZ-OE2 2.68Å; K459-E464 PolarHBondContact NZ-OE2 3.43Å
460A76.9Confident88.7Confident102 Ų10240.6 Ų40.684%0.84322%0.224SC*.THydrogen-bonded Turntrans-53.4128.9-174.200000111.8
461P69.2Low88.4Confident137 Ų13743.2 Ų43.289%0.8923%0.233SC*.THydrogen-bonded Turncis-102536.139.8-33.7000114.7
462G85.6Confident88Confident15 Ų1543.7 Ų43.716%0.15524%0.235CC..EExtended strand (participates in β ladder)trans-175-148.2178.300000115.6Y440 K459Y440-G462 VanDerWaalsContact CE1-CA 3.42Å; Y440-G462 WeakPolarHBondContact OH-CA 3.38Å; K459-G462 CarbonylContact C-O 3.57Å; K459-G462 PolarHBondContact N-O 2.97Å; K459-G462 CarbonylContact O-C 3.45Å; K459-G462 PolarHBondContact O-N 3.42Å
463I90.1Very high87.5Confident21 Ų2146.7 Ų46.711%0.10826%0.255CS..EExtended strand (participates in β ladder)trans-112.1141.9178.7-67.3-69.6000109.9A390 V433 F435 Y440 V456 H457 E458A390-I463 HydrophobicContact CB-CD1 3.83Å; V433-I463 HydrophobicContact CG1-CG2 4.29Å; F435-I463 HydrophobicContact CB-CD1 4.18Å; F435-I463 HydrophobicContact CB-CG1 3.76Å; F435-I463 HydrophobicContact CD1-CD1 3.65Å; F435-I463 HydrophobicContact CD1-CG1 3.7Å; F435-I463 HydrophobicContact CD2-CD1 4.31Å; F435-I463 HydrophobicContact CE1-CD1 4Å; F435-I463 HydrophobicContact CE1-CG1 4.46Å; F435-I463 HydrophobicContact CG-CD1 3.8Å; F435-I463 HydrophobicContact CG-CG1 3.86Å; F435-I463 HydrophobicContact CZ-CD1 4.46Å; Y440-I463 HydrophobicContact CD1-CB 4.42Å; Y440-I463 HydrophobicContact CD2-CB 3.84Å; Y440-I463 HydrophobicContact CD2-CG1 3.79Å; Y440-I463 HydrophobicContact CE2-CB 4.32Å; Y440-I463 HydrophobicContact CE2-CG1 3.92Å; Y440-I463 HydrophobicContact CG-CB 3.89Å; Y440-I463 HydrophobicContact CG-CG1 4.36Å; V456-I463 HydrophobicContact CG1-CD1 4.46Å; V456-I463 HydrophobicContact CG1-CG2 3.48Å; V456-I463 VanDerWaalsContact CG1-CG2 3.48Å; H457-I463 WeakPolarHBondContact O-CA 3.1Å; E458-I463 HydrophobicContact CG-CD1 3.83Å
464E90.4Very high87.1Confident76 Ų7647.6 Ų47.636%0.35526%0.259SS..EExtended strand (participates in β ladder)trans-119.2142.9168.7-178.7166.6-123.800109.3H457 K459H457-E464 IonicContact CE1-OE2 3.55Å; H457-E464 PolarHBondContact CE1-OE2 3.49Å; H457-E464 PolarHBondContact N-O 3.25Å; H457-E464 IonicContact NE2-OE2 3.71Å; H457-E464 PolarHBondContact O-N 2.96Å; K459-E464 HydrophobicContact CB-CB 4.09Å; K459-E464 HydrophobicContact CD-CB 4.17Å; K459-E464 HydrophobicContact CD-CG 4.49Å; K459-E464 WeakPolarHBondContact CD-OE2 3.19Å; K459-E464 IonicContact NZ-OE1 3.45Å; K459-E464 PolarHBondContact NZ-OE1 3.06Å; K459-E464 IonicContact NZ-OE2 2.68Å; K459-E464 PolarHBondContact NZ-OE2 3.43Å
465C91.3Very high86.6Confident14 Ų1449.4 Ų49.410%0.09527%0.268CS..EExtended strand (participates in β ladder)trans-108.3138.7173.7-47.80000109.4C442 H444 L454 I455C442-C465 HydrophobicContact CB-CB 3.4Å; C442-C465 WeakPolarHBondContact CB-SG 3.32Å; C442-C465 WeakPolarHBondContact SG-CB 3.15Å; C442-C465 CovalentContact SG-SG 2.04Å; C442-C465 PolarHBondContact SG-SG 3.22Å; H444-C465 PolarHBondContact CE1-O 3.05Å; H444-C465 PolarHBondContact NE2-O 3.06Å; L454-C465 HydrophobicContact CD1-CB 3.88Å; I455-C465 CarbonylContact O-C 3.59Å; I455-C465 WeakPolarHBondContact O-CA 3.38Å
466K90.9Very high85.8Confident65 Ų6551 Ų5128%0.28328%0.276SS..EExtended strand (participates in β ladder)trans-127.9124.3173.7-171.7171.3-176.1164.70109.7I455 Y507 S508I455-K466 HydrophobicContact CB-CB 4.42Å; I455-K466 PolarHBondContact N-O 3.29Å; I455-K466 PolarHBondContact O-N 3.41Å; K466-Y507 WeakPolarHBondContact CD-O 3.4Å; K466-Y507 VanDerWaalsContact CE-O 3.27Å; K466-Y507 WeakPolarHBondContact CE-O 3.35Å; K466-Y507 PolarHBondContact NZ-O 3.15Å; K466-S508 PolarHBondContact NZ-OG 3.32Å; K466-S508 VanDerWaalsContact NZ-OG 3.12Å
467L92.3Very high84.7Confident35 Ų3552.9 Ų52.918%0.18329%0.286CS..EExtended strand (participates in β ladder)trans-86.5134.5173.8-162.375.3000110.2H444 E445 F446 Y452 L454H444-L467 HydrophobicContact CB-CB 4.15Å; H444-L467 HydrophobicContact CB-CD2 3.96Å; H444-L467 HydrophobicContact CB-CG 4.46Å; E445-L467 WeakPolarHBondContact O-CD2 3.37Å; F446-L467 HydrophobicContact CD1-CD2 4.46Å; F446-L467 HydrophobicContact CE1-CD1 3.69Å; F446-L467 HydrophobicContact CE1-CD2 4.15Å; F446-L467 HydrophobicContact CE2-CD1 4.34Å; F446-L467 HydrophobicContact CE2-CD2 4.3Å; F446-L467 HydrophobicContact CZ-CD1 3.46Å; F446-L467 VanDerWaalsContact CZ-CD1 3.46Å; F446-L467 HydrophobicContact CZ-CD2 4.05Å; F446-L467 HydrophobicContact CZ-CG 4.43Å; Y452-L467 HydrophobicContact CD1-CD1 4.31Å; Y452-L467 HydrophobicContact CD1-CD2 3.56Å; Y452-L467 HydrophobicContact CD1-CG 3.75Å; Y452-L467 HydrophobicContact CE1-CD2 3.85Å; Y452-L467 HydrophobicContact CE1-CG 4.47Å; Y452-L467 HydrophobicContact CG-CD1 4.22Å; Y452-L467 HydrophobicContact CG-CD2 4.04Å; Y452-L467 HydrophobicContact CG-CG 4.16Å; L454-L467 HydrophobicContact CB-CD1 4.49Å; L454-L467 HydrophobicContact CD1-CD1 4.17Å
468V90.1Very high84Confident18 Ų1852.7 Ų52.711%0.10929%0.285CS..EExtended strand (participates in β ladder)trans-129.6135.3174-178.20000108.8Y452 S453 I455 M509Y452-V468 CarbonylContact C-O 3.57Å; Y452-V468 VanDerWaalsContact CA-O 3.24Å; Y452-V468 WeakPolarHBondContact CA-O 3.49Å; S453-V468 PolarHBondContact N-O 3.2Å; S453-V468 PolarHBondContact O-N 3.49Å; I455-V468 HydrophobicContact CD1-CB 4.45Å; I455-V468 HydrophobicContact CD1-CG2 3.62Å; I455-V468 HydrophobicContact CG1-CG2 4.36Å; V468-M509 HydrophobicContact CG1-CB 4.13Å; V468-M509 HydrophobicContact CG1-CE 4.01Å; V468-M509 HydrophobicContact CG1-CG 4.1Å; V468-M509 HydrophobicContact CG2-CE 4.44Å
469E90.6Very high83.9Confident104 Ų10451 Ų5149%0.48628%0.278SS..EExtended strand (participates in β ladder)trans-74.6133.3172.7-172.5176.2152.900110.1K450 Y452 R483K450-E469 HydrophobicContact CD-CG 4.28Å; K450-E469 WeakPolarHBondContact CE-OE1 3.38Å; K450-E469 WeakPolarHBondContact CE-OE2 3.38Å; K450-E469 IonicContact NZ-OE1 3.02Å; K450-E469 IonicContact NZ-OE2 2.74Å; K450-E469 PolarHBondContact NZ-OE2 3.03Å; Y452-E469 HydrophobicContact CD1-CB 4.15Å; Y452-E469 HydrophobicContact CE1-CB 4.04Å; Y452-E469 HydrophobicContact CE1-CG 4.3Å; E469-R483 PolarHBondContact O-NH1 3.14Å; E469-R483 VanDerWaalsContact O-NH1 3.1Å
470D87.5Confident84.2Confident10 Ų1045.7 Ų45.75%0.05326%0.255CS..EExtended strand (participates in β ladder)trans-101.6144.8-176-69.6-11.8000112.5Q385 Y417 A451 Y452 S453 I472 R483Q385-D470 PolarHBondContact NE2-OD2 2.93Å; Y417-D470 HydrophobicContact CE1-CB 4.39Å; Y417-D470 VanDerWaalsContact CE1-OD2 3.25Å; Y417-D470 WeakPolarHBondContact CE1-OD2 3.48Å; Y417-D470 WeakPolarHBondContact OH-CB 3.29Å; Y417-D470 PolarHBondContact OH-OD2 3.11Å; A451-D470 HydrophobicContact CB-CB 3.99Å; A451-D470 PolarHBondContact O-N 2.95Å; Y452-D470 VanDerWaalsContact C-OD2 3.3Å; S453-D470 WeakPolarHBondContact CB-OD1 3.48Å; S453-D470 WeakPolarHBondContact CB-OD2 3.46Å; S453-D470 PolarHBondContact N-OD1 3.48Å; S453-D470 PolarHBondContact N-OD2 3.39Å; S453-D470 PolarHBondContact OG-OD1 3.23Å; S453-D470 PolarHBondContact OG-OD2 3.25Å; D470-I472 HydrophobicContact CB-CG2 4.33Å; D470-R483 VanDerWaalsContact CG-NH2 3.33Å; D470-R483 IonicContact OD1-CZ 3.61Å; D470-R483 IonicContact OD1-NH1 3.77Å; D470-R483 PolarHBondContact OD1-NH1 3.39Å; D470-R483 IonicContact OD1-NH2 2.89Å; D470-R483 PolarHBondContact OD1-NH2 3Å; D470-R483 IonicContact OD2-NH2 3.48Å
471Y82.6Confident85Confident108 Ų10841.3 Ų41.342%0.42422%0.217SC..  trans-100.595.3173.7-163-94.4000110T473 N481 N512 S545Y471-T473 WeakPolarHBondContact CD1-O 3.49Å; Y471-T473 WeakPolarHBondContact CE1-O 3.34Å; Y471-N481 WeakPolarHBondContact CD1-ND2 3.41Å; Y471-N481 WeakPolarHBondContact CE1-ND2 3.29Å; Y471-N512 WeakPolarHBondContact CB-ND2 3.48Å; Y471-N512 WeakPolarHBondContact CD1-ND2 3.44Å; Y471-S545 PolarHBondContact O-OG 3.16Å
472I85.4Confident86.1Confident15 Ų1534.8 Ų34.88%0.07718%0.175CC..  trans-90.1-9.9-176.358.8165000113.8V374 L383 Y417 A451 D470 K474 V565V374-I472 HydrophobicContact CB-CB 4.18Å; V374-I472 HydrophobicContact CG1-CB 4.17Å; V374-I472 HydrophobicContact CG1-CD1 3.93Å; V374-I472 HydrophobicContact CG1-CG2 4.24Å; L383-I472 HydrophobicContact CD1-CD1 3.71Å; Y417-I472 HydrophobicContact CD2-CG2 4.48Å; Y417-I472 HydrophobicContact CE1-CG2 4.28Å; Y417-I472 HydrophobicContact CE2-CG2 3.74Å; A451-I472 HydrophobicContact CB-CD1 4.08Å; A451-I472 HydrophobicContact CB-CG1 4.23Å; A451-I472 HydrophobicContact CB-CG2 3.53Å; D470-I472 HydrophobicContact CB-CG2 4.33Å; I472-K474 PolarHBondContact O-N 2.95Å; I472-V565 HydrophobicContact CB-CG2 4.35Å
473T81.4Confident86.5Confident75 Ų7534.3 Ų34.346%0.4617%0.168SC..PPolyproline II helixtrans-77.4123.4-177.6-52.50000110.2Y471 N481Y471-T473 WeakPolarHBondContact CD1-O 3.49Å; Y471-T473 WeakPolarHBondContact CE1-O 3.34Å; T473-N481 PolarHBondContact O-ND2 2.94Å
474K84.3Confident86.7Confident19 Ų1933.3 Ų33.38%0.08316%0.163CC..PPolyproline II helixtrans-66.8140.4172.9-59.2-161.5177.9-142.70110.4T372 V373 I472 G543 V565 K566 N568T372-K474 WeakPolarHBondContact O-CE 3.34Å; T372-K474 PolarHBondContact O-NZ 2.53Å; T372-K474 PolarHBondContact OG1-NZ 2.92Å; T372-K474 VanDerWaalsContact OG1-NZ 3.13Å; V373-K474 HydrophobicContact CG2-CD 4.48Å; I472-K474 PolarHBondContact O-N 2.95Å; K474-G543 WeakPolarHBondContact CD-O 3.41Å; K474-G543 WeakPolarHBondContact CE-O 3.49Å; K474-G543 VanDerWaalsContact CG-O 3.29Å; K474-G543 WeakPolarHBondContact CG-O 3.34Å; K474-G543 PolarHBondContact NZ-O 3.28Å; K474-V565 HydrophobicContact CD-CG1 4.43Å; K474-V565 HydrophobicContact CG-CG1 4.05Å; K474-K566 PolarHBondContact NZ-O 3.48Å; K474-N568 WeakPolarHBondContact CD-OD1 3.48Å; K474-N568 PolarHBondContact NZ-OD1 2.89Å
475N81.8Confident86.8Confident37 Ų3729.8 Ų29.820%0.19815%0.147CC..PPolyproline II helixtrans-63.1137.3172.4-166.9-24.1000110.2D477 G478 N479 S514N475-D477 PolarHBondContact OD1-N 3.19Å; N475-G478 WeakPolarHBondContact O-CA 3.35Å; N475-G478 PolarHBondContact O-N 3.06Å; N475-N479 WeakPolarHBondContact CB-O 3.46Å; N475-S514 WeakPolarHBondContact ND2-CB 3.3Å; N475-S514 PolarHBondContact ND2-OG 3.45Å
476E74.1Confident86.8Confident37 Ų3729.1 Ų29.117%0.17314%0.143CC..THydrogen-bonded Turntrans-70.1-30.1-177.9-69.7164.6-137.800113.2V40 S41 T295 G478V40-E476 WeakPolarHBondContact CB-OE2 3.37Å; V40-E476 HydrophobicContact CG1-CG 4.42Å; V40-E476 WeakPolarHBondContact CG1-OE1 3.41Å; V40-E476 WeakPolarHBondContact CG1-OE2 3.44Å; S41-E476 WeakPolarHBondContact CA-OE2 3.2Å; S41-E476 WeakPolarHBondContact CB-OE2 3.25Å; S41-E476 PolarHBondContact N-OE2 3.04Å; S41-E476 VanDerWaalsContact N-OE2 3.08Å; S41-E476 PolarHBondContact OG-OE2 3.37Å; T295-E476 VanDerWaalsContact CB-O 3.25Å; T295-E476 WeakPolarHBondContact CB-O 3.49Å; T295-E476 HydrophobicContact CG2-CB 4.41Å; T295-E476 VanDerWaalsContact CG2-O 3.26Å; T295-E476 WeakPolarHBondContact CG2-O 3.43Å; E476-G478 PolarHBondContact O-N 3.1Å
477D69.6Low86.7Confident39 Ų3927.4 Ų27.421%0.20914%0.137CC..THydrogen-bonded Turntrans-77.31.2172-65.7-54.7000112.5R174 L299 N475 N479R174-D477 IonicContact NH1-OD1 3.19Å; R174-D477 PolarHBondContact NH1-OD1 3.34Å; L299-D477 WeakPolarHBondContact CD1-O 3.42Å; N475-D477 PolarHBondContact OD1-N 3.19Å; D477-N479 PolarHBondContact O-N 3.21Å
478G77.9Confident86.6Confident0 Ų026.5 Ų26.50%013%0.133CC..  trans79.3-7.2-178.700000114N475 E476 F542 G543N475-G478 WeakPolarHBondContact O-CA 3.35Å; N475-G478 PolarHBondContact O-N 3.06Å; E476-G478 PolarHBondContact O-N 3.1Å; G478-F542 CarbonylContact O-C 3.59Å; G478-F542 VanDerWaalsContact O-C 3.3Å; G478-F542 WeakPolarHBondContact O-CA 3.49Å; G478-F542 VanDerWaalsContact O-CB 3.27Å; G478-F542 WeakPolarHBondContact O-CB 3.49Å; G478-F542 WeakPolarHBondContact O-CD1 3.49Å; G478-G543 PolarHBondContact O-N 3.2Å
479N86.1Confident86.4Confident33 Ų3329.9 Ų29.918%0.17616%0.155CC..PPolyproline II helixtrans-63.7147.7-177.7-79.7-30.8000113.7N475 D477 S514 V515N475-N479 WeakPolarHBondContact CB-O 3.46Å; D477-N479 PolarHBondContact O-N 3.21Å; N479-S514 VanDerWaalsContact CB-OG 3.23Å; N479-S514 WeakPolarHBondContact CB-OG 3.43Å; N479-V515 WeakPolarHBondContact CB-O 3.01Å
480P90.8Very high86.2Confident0 Ų028.3 Ų28.30%015%0.147CC..PPolyproline II helixtrans-67.7143.9174.624.2-32.6000112.7S514 V515 L540 D541 A544 Y546P480-S514 WeakPolarHBondContact O-CA 3.35Å; P480-S514 PolarHBondContact O-OG 3.36Å; P480-V515 VanDerWaalsContact CD-O 3.25Å; P480-V515 WeakPolarHBondContact CD-O 3.44Å; P480-V515 HydrophobicContact CG-CG2 3.91Å; P480-V515 WeakPolarHBondContact CG-O 3.44Å; P480-V515 PolarHBondContact O-N 3.03Å; P480-L540 HydrophobicContact CB-CB 4.21Å; P480-L540 HydrophobicContact CG-CB 3.85Å; P480-D541 WeakPolarHBondContact CB-O 3.23Å; P480-A544 VanDerWaalsContact CA-O 3.29Å; P480-A544 WeakPolarHBondContact CA-O 3.25Å; P480-Y546 HydrophobicContact CB-CD2 4.23Å; P480-Y546 HydrophobicContact CB-CE2 3.96Å
481N92.3Very high86.4Confident9 Ų929 Ų295%0.04816%0.155CC..EExtended strand (participates in β ladder)trans-96.1140.7167.8-74.5-36000110.2Y471 T473 A544 S545 Y546Y471-N481 WeakPolarHBondContact CD1-ND2 3.41Å; Y471-N481 WeakPolarHBondContact CE1-ND2 3.29Å; T473-N481 PolarHBondContact O-ND2 2.94Å; N481-A544 PolarHBondContact N-O 3.37Å; N481-S545 WeakPolarHBondContact O-CA 3.45Å; N481-Y546 PolarHBondContact O-N 3.29Å
482V93.7Very high86.8Confident0 Ų024 Ų240%014%0.135CC..EExtended strand (participates in β ladder)trans-134.6137.9-178-1790000109.9F484 F501 N512 S513 V515 L540 I548V482-F484 HydrophobicContact CG1-CD2 4.24Å; V482-F484 HydrophobicContact CG1-CE2 3.67Å; V482-F484 HydrophobicContact CG1-CZ 4.05Å; V482-F501 HydrophobicContact CB-CZ 4.17Å; V482-F501 HydrophobicContact CG1-CZ 4.44Å; V482-F501 VanDerWaalsContact O-CE1 3.24Å; V482-F501 WeakPolarHBondContact O-CE1 3.2Å; V482-N512 PolarHBondContact N-OD1 3.31Å; V482-N512 PolarHBondContact O-OD1 3.47Å; V482-N512 VanDerWaalsContact O-OD1 3.12Å; V482-S513 PolarHBondContact N-O 3.45Å; V482-S513 PolarHBondContact O-N 3.49Å; V482-V515 HydrophobicContact CG2-CG1 4.42Å; V482-V515 HydrophobicContact CG2-CG2 3.67Å; V482-L540 HydrophobicContact CG2-CD1 3.79Å; V482-I548 HydrophobicContact CG1-CD1 3.49Å; V482-I548 VanDerWaalsContact CG1-CD1 3.49Å; V482-I548 HydrophobicContact CG1-CG1 4.2Å
483R93.6Very high87.1Confident5 Ų525.7 Ų25.72%0.01915%0.145CC..EExtended strand (participates in β ladder)trans-136.5154.4165.262.2-176.2178.5169.22.4110.4E469 D470 M509 Y546 S547 I548 D564E469-R483 PolarHBondContact O-NH1 3.14Å; E469-R483 VanDerWaalsContact O-NH1 3.1Å; D470-R483 VanDerWaalsContact CG-NH2 3.33Å; D470-R483 IonicContact OD1-CZ 3.61Å; D470-R483 IonicContact OD1-NH1 3.77Å; D470-R483 PolarHBondContact OD1-NH1 3.39Å; D470-R483 IonicContact OD1-NH2 2.89Å; D470-R483 PolarHBondContact OD1-NH2 3Å; D470-R483 IonicContact OD2-NH2 3.48Å; R483-M509 HydrophobicContact CB-CG 4.45Å; R483-M509 HydrophobicContact CB-SD 4.25Å; R483-M509 HydrophobicContact CG-CG 4.44Å; R483-M509 HydrophobicContact CG-SD 3.88Å; R483-Y546 PolarHBondContact N-O 3.34Å; R483-S547 VanDerWaalsContact CZ-OG 3.29Å; R483-S547 PolarHBondContact NE-OG 3.21Å; R483-S547 PolarHBondContact NH2-OG 3.43Å; R483-I548 PolarHBondContact O-N 2.92Å; R483-D564 IonicContact CZ-OD2 2.92Å; R483-D564 IonicContact NE-OD2 3.17Å; R483-D564 PolarHBondContact NE-OD2 3.42Å; R483-D564 IonicContact NH2-OD1 2.67Å; R483-D564 IonicContact NH2-OD2 3.65Å; R483-D564 PolarHBondContact NH2-OD2 3.42Å; R483-D564 VanDerWaalsContact NH2-OD2 3.14Å
484F93.8Very high87.6Confident0 Ų022.1 Ų22.10%012%0.123CC..EExtended strand (participates in β ladder)trans-114.3135.3-179.4-70.3-90.2000110.8V482 I494 V496 F501 V503 M509 S510 L537 I548 L550V482-F484 HydrophobicContact CG1-CD2 4.24Å; V482-F484 HydrophobicContact CG1-CE2 3.67Å; V482-F484 HydrophobicContact CG1-CZ 4.05Å; F484-I494 HydrophobicContact CD1-CD1 3.49Å; F484-I494 VanDerWaalsContact CD1-CD1 3.49Å; F484-I494 HydrophobicContact CE1-CD1 3.67Å; F484-I494 HydrophobicContact CE1-CG2 3.98Å; F484-I494 HydrophobicContact CE2-CB 4.44Å; F484-I494 HydrophobicContact CE2-CG2 4.11Å; F484-I494 HydrophobicContact CG-CD1 3.94Å; F484-I494 HydrophobicContact CZ-CB 4.37Å; F484-I494 HydrophobicContact CZ-CD1 4.27Å; F484-I494 HydrophobicContact CZ-CG2 3.65Å; F484-V496 HydrophobicContact CE2-CG2 3.84Å; F484-V496 HydrophobicContact CZ-CG2 3.62Å; F484-F501 HydrophobicContact CD2-CB 3.94Å; F484-F501 AromaticContact CD2-CD1 3.92Å; F484-F501 HydrophobicContact CD2-CD1 3.92Å; F484-F501 HydrophobicContact CD2-CD2 4.26Å; F484-F501 HydrophobicContact CD2-CE1 4.49Å; F484-F501 AromaticContact CD2-CG 3.78Å; F484-F501 HydrophobicContact CD2-CG 3.78Å; F484-F501 HydrophobicContact CE2-CB 4.21Å; F484-F501 HydrophobicContact CE2-CD1 4.14Å; F484-F501 AromaticContact CE2-CD2 3.76Å; F484-F501 HydrophobicContact CE2-CD2 3.76Å; F484-F501 HydrophobicContact CE2-CE1 4.47Å; F484-F501 HydrophobicContact CE2-CE2 4.13Å; F484-F501 AromaticContact CE2-CG 3.77Å; F484-F501 HydrophobicContact CE2-CG 3.77Å; F484-F501 HydrophobicContact CE2-CZ 4.45Å; F484-V503 HydrophobicContact CB-CB 4.38Å; F484-V503 HydrophobicContact CB-CG1 3.73Å; F484-V503 HydrophobicContact CB-CG2 3.65Å; F484-V503 HydrophobicContact CG-CG2 4.19Å; F484-M509 VanDerWaalsContact C-SD 3.56Å; F484-M509 CarbonylContact O-C 3.59Å; F484-M509 WeakPolarHBondContact O-CA 3.37Å; F484-S510 PolarHBondContact N-OG 2.88Å; F484-S510 PolarHBondContact O-N 3.26Å; F484-L537 HydrophobicContact CZ-CD1 4.15Å; F484-I548 CarbonylContact C-O 3.59Å; F484-I548 WeakPolarHBondContact CA-O 3.43Å; F484-I548 HydrophobicContact CD1-CB 3.69Å; F484-I548 HydrophobicContact CD1-CD1 4.46Å; F484-I548 HydrophobicContact CD1-CG2 3.77Å; F484-I548 HydrophobicContact CE1-CB 3.78Å; F484-I548 HydrophobicContact CE1-CD1 3.78Å; F484-I548 HydrophobicContact CE1-CG1 4.37Å; F484-I548 HydrophobicContact CE1-CG2 3.66Å; F484-I548 HydrophobicContact CG-CB 4.43Å; F484-I548 HydrophobicContact CZ-CD1 3.83Å; F484-L550 HydrophobicContact CD1-CD1 4.47Å; F484-L550 HydrophobicContact CD1-CD2 4.06Å; F484-L550 HydrophobicContact CD1-CG 4.32Å
485F92.3Very high88Confident3 Ų323.6 Ų23.61%0.01313%0.134CC..EExtended strand (participates in β ladder)trans-110.1121.8172-170.8-102.2000109.8L389 I455 T487 Y507 M509 I548 V549 L550L389-F485 HydrophobicContact CD1-CD1 3.75Å; L389-F485 HydrophobicContact CD1-CE1 3.3Å; L389-F485 HydrophobicContact CD1-CZ 4.25Å; I455-F485 HydrophobicContact CD1-CD2 3.58Å; I455-F485 HydrophobicContact CD1-CE1 4.35Å; I455-F485 HydrophobicContact CD1-CE2 3.22Å; I455-F485 HydrophobicContact CD1-CG 4.26Å; I455-F485 HydrophobicContact CD1-CZ 3.65Å; I455-F485 HydrophobicContact CG2-CE1 4.03Å; I455-F485 HydrophobicContact CG2-CE2 4.46Å; I455-F485 HydrophobicContact CG2-CZ 3.78Å; F485-T487 HydrophobicContact CD1-CG2 4.02Å; F485-T487 HydrophobicContact CE1-CG2 3.98Å; F485-Y507 AromaticContact CE1-CD1 3.86Å; F485-Y507 HydrophobicContact CE1-CD1 3.86Å; F485-Y507 VanDerWaalsContact CE2-C 3.43Å; F485-Y507 WeakPolarHBondContact CE2-O 3.42Å; F485-Y507 VanDerWaalsContact CZ-C 3.4Å; F485-Y507 HydrophobicContact CZ-CD1 4.04Å; F485-Y507 HydrophobicContact CZ-CG 4.43Å; F485-Y507 VanDerWaalsContact CZ-O 3.27Å; F485-Y507 WeakPolarHBondContact CZ-O 3.24Å; F485-M509 HydrophobicContact CB-CE 3.95Å; F485-M509 HydrophobicContact CB-SD 3.7Å; F485-M509 HydrophobicContact CD2-CB 4.28Å; F485-M509 HydrophobicContact CD2-CE 3.64Å; F485-M509 HydrophobicContact CD2-SD 3.94Å; F485-M509 HydrophobicContact CG-CE 4.16Å; F485-M509 HydrophobicContact CG-SD 4.33Å; F485-I548 PolarHBondContact N-O 3.41Å; F485-V549 HydrophobicContact CB-CG2 4.3Å; F485-V549 HydrophobicContact CD1-CG1 4.06Å; F485-L550 PolarHBondContact O-N 3.29Å
486N92Very high88.5Confident0 Ų021.9 Ų21.90%012%0.124CC..EExtended strand (participates in β ladder)trans-104.5111-174.5-177.511.8000111.7L488 E490 V503 P504 Y507 S508 L550N486-L488 VanDerWaalsContact C-N 3.31Å; N486-L488 WeakPolarHBondContact OD1-CA 3.28Å; N486-L488 WeakPolarHBondContact OD1-CB 3.32Å; N486-L488 WeakPolarHBondContact OD1-CG 3.33Å; N486-L488 PolarHBondContact OD1-N 2.78Å; N486-E490 PolarHBondContact ND2-O 3.1Å; N486-V503 HydrophobicContact CB-CB 4.39Å; N486-V503 HydrophobicContact CB-CG1 3.52Å; N486-P504 WeakPolarHBondContact CB-O 3.34Å; N486-P504 PolarHBondContact ND2-O 3.47Å; N486-P504 VanDerWaalsContact ND2-O 3.15Å; N486-Y507 WeakPolarHBondContact O-CA 3.42Å; N486-Y507 PolarHBondContact O-N 2.95Å; N486-S508 PolarHBondContact N-O 3.01Å; N486-S508 PolarHBondContact O-N 3.48Å; N486-L550 HydrophobicContact CB-CD1 4.28Å
487T89.6Confident89.2Confident28 Ų2822.4 Ų22.417%0.17214%0.14CC..  trans-85.2-6.2174.675.10000112.9L389 F485 Y507 V549 L550 V551L389-T487 HydrophobicContact CD1-CG2 4.1Å; F485-T487 HydrophobicContact CD1-CG2 4.02Å; F485-T487 HydrophobicContact CE1-CG2 3.98Å; T487-Y507 HydrophobicContact CG2-CD1 4.27Å; T487-Y507 HydrophobicContact CG2-CE1 4.04Å; T487-V549 HydrophobicContact CG2-CG1 3.92Å; T487-L550 WeakPolarHBondContact CG2-O 3.28Å; T487-L550 PolarHBondContact N-O 3.44Å; T487-L550 PolarHBondContact OG1-O 3.38Å; T487-V551 HydrophobicContact CG2-CG1 4.23Å
488L88.8Confident90Very high17 Ų1729.4 Ų29.49%0.08917%0.171CC..SBendtrans-80156.2-174.5-52.5173.7000111.3N486 E490 M492 K506 E552 I557N486-L488 VanDerWaalsContact C-N 3.31Å; N486-L488 WeakPolarHBondContact OD1-CA 3.28Å; N486-L488 WeakPolarHBondContact OD1-CB 3.32Å; N486-L488 WeakPolarHBondContact OD1-CG 3.33Å; N486-L488 PolarHBondContact OD1-N 2.78Å; L488-E490 PolarHBondContact O-N 3.23Å; L488-M492 HydrophobicContact CD1-SD 3.61Å; L488-K506 PolarHBondContact O-N 3.46Å; L488-K506 VanDerWaalsContact O-N 3.14Å; L488-E552 HydrophobicContact CD2-CB 3.83Å; L488-I557 HydrophobicContact CD1-CD1 3.68Å; L488-I557 HydrophobicContact CD1-CG1 3.89Å; L488-I557 HydrophobicContact CD1-CG2 4.05Å
489P86.1Confident90.6Very high88 Ų8831.3 Ų31.357%0.57118%0.183SC*.SBendtrans-68.1-13.5-17925.1-33.5000114Q505P489-Q505 WeakPolarHBondContact O-CB 3.11Å; P489-Q505 PolarHBondContact O-OE1 3.11Å
490E87.8Confident90.8Very high71 Ų7135.5 Ų35.533%0.33220%0.201SC..SBendtrans-129.2154.1-170.1-55.4172.3128.800111.7N486 L488 Q505 H527 Q528N486-E490 PolarHBondContact ND2-O 3.1Å; L488-E490 PolarHBondContact O-N 3.23Å; E490-Q505 VanDerWaalsContact C-CB 3.5Å; E490-H527 WeakPolarHBondContact CB-NE2 3.43Å; E490-H527 IonicContact OE1-CE1 3.89Å; E490-H527 IonicContact OE1-NE2 3.94Å; E490-H527 IonicContact OE2-CD2 2.83Å; E490-H527 IonicContact OE2-CE1 3.04Å; E490-H527 PolarHBondContact OE2-CE1 2.95Å; E490-H527 IonicContact OE2-ND1 2.7Å; E490-H527 IonicContact OE2-NE2 3.02Å; E490-H527 PolarHBondContact OE2-NE2 3.22Å; E490-Q528 PolarHBondContact OE1-NE2 3.31Å; E490-Q528 PolarHBondContact OE1-OE1 2.97Å
491A90.6Very high90.9Very high26 Ų2635.7 Ų35.722%0.21520%0.202CC..  trans-83.8149.4-174.700000112.1Y502 V503 Q505 H527A491-Y502 HydrophobicContact CB-CE2 4.23Å; A491-V503 WeakPolarHBondContact CA-O 3.31Å; A491-Q505 HydrophobicContact CB-CB 4.35Å; A491-H527 PolarHBondContact O-CD2 3.11Å; A491-H527 VanDerWaalsContact O-CD2 3.29Å
492M90.4Very high91Very high1 Ų142.3 Ų42.31%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-131.9149.9-173.2-62.3-174.772.200112.7L488 V503 C525 C532 L550 I557L488-M492 HydrophobicContact CD1-SD 3.61Å; M492-V503 PolarHBondContact N-O 3.27Å; M492-V503 PolarHBondContact O-N 3.3Å; M492-C525 HydrophobicContact CE-CB 4.05Å; M492-C532 WeakPolarHBondContact CE-SG 3.42Å; M492-L550 HydrophobicContact SD-CD1 4.03Å; M492-I557 HydrophobicContact CE-CD1 3.78Å; M492-I557 HydrophobicContact CE-CG2 4.48Å; M492-I557 HydrophobicContact SD-CD1 4.2Å
493N92Very high90.9Very high52 Ų5242.3 Ų42.328%0.27823%0.228SC..EExtended strand (participates in β ladder)trans-108.1129.1165.3-71.912.9000109.8E500 F501 Y502 C525 S526N493-E500 PolarHBondContact ND2-OE1 3.43Å; N493-F501 WeakPolarHBondContact CA-O 3.36Å; N493-Y502 WeakPolarHBondContact OD1-CD2 3.31Å; N493-C525 CarbonylContact O-C 3.59Å; N493-C525 WeakPolarHBondContact O-CA 3.38Å; N493-S526 PolarHBondContact N-O 3.4Å; N493-S526 VanDerWaalsContact N-O 3.07Å; N493-S526 PolarHBondContact O-N 3.4Å
494I92.8Very high90.8Very high0 Ų043.9 Ų43.90%024%0.239CC..EExtended strand (participates in β ladder)trans-122.2130179.9-59-179000109.2F484 V496 E500 F501 V503 V523 R524 C525 L535 L550F484-I494 HydrophobicContact CD1-CD1 3.49Å; F484-I494 VanDerWaalsContact CD1-CD1 3.49Å; F484-I494 HydrophobicContact CE1-CD1 3.67Å; F484-I494 HydrophobicContact CE1-CG2 3.98Å; F484-I494 HydrophobicContact CE2-CB 4.44Å; F484-I494 HydrophobicContact CE2-CG2 4.11Å; F484-I494 HydrophobicContact CG-CD1 3.94Å; F484-I494 HydrophobicContact CZ-CB 4.37Å; F484-I494 HydrophobicContact CZ-CD1 4.27Å; F484-I494 HydrophobicContact CZ-CG2 3.65Å; I494-V496 HydrophobicContact CG2-CG2 4.07Å; I494-E500 CarbonylContact O-C 3.55Å; I494-F501 HydrophobicContact CB-CB 4.45Å; I494-F501 PolarHBondContact N-O 2.97Å; I494-F501 PolarHBondContact O-N 3.25Å; I494-V503 HydrophobicContact CD1-CG2 4.07Å; I494-V503 HydrophobicContact CG1-CG2 4.24Å; I494-V523 HydrophobicContact CG2-CG1 3.48Å; I494-V523 VanDerWaalsContact CG2-CG1 3.48Å; I494-R524 WeakPolarHBondContact CA-O 3.22Å; I494-C525 HydrophobicContact CG1-CB 4.23Å; I494-L535 HydrophobicContact CD1-CD1 3.88Å; I494-L535 HydrophobicContact CG1-CD1 4.43Å; I494-L535 HydrophobicContact CG2-CD1 4.4Å; I494-L550 HydrophobicContact CD1-CD1 3.55Å; I494-L550 HydrophobicContact CD1-CD2 3.82Å; I494-L550 HydrophobicContact CD1-CG 4.26Å
495T92.4Very high90.4Very high50 Ų5047.8 Ų47.831%0.30726%0.257SS..EExtended strand (participates in β ladder)trans-111107.8179.3-45.70000110.3T499 V523 R524T495-T499 CarbonylContact C-O 3.5Å; T495-T499 WeakPolarHBondContact CA-O 3.38Å; T495-V523 WeakPolarHBondContact O-CG1 3.49Å; T495-R524 PolarHBondContact N-O 3.32Å
496V92.4Very high90Very high0 Ų054.4 Ų54.40%029%0.286CS..EExtended strand (participates in β ladder)trans-104.3100.8177.9-173.40000108.8F484 I494 E498 T499 F501 V515 Y520 V523 L537 L540F484-V496 HydrophobicContact CE2-CG2 3.84Å; F484-V496 HydrophobicContact CZ-CG2 3.62Å; I494-V496 HydrophobicContact CG2-CG2 4.07Å; V496-E498 PolarHBondContact O-N 3.45Å; V496-T499 PolarHBondContact N-O 3.27Å; V496-T499 PolarHBondContact O-N 3.09Å; V496-T499 VanDerWaalsContact O-N 3.14Å; V496-F501 HydrophobicContact CB-CD2 4.48Å; V496-F501 HydrophobicContact CB-CE2 4Å; V496-F501 HydrophobicContact CG2-CD2 4.08Å; V496-F501 HydrophobicContact CG2-CE2 3.93Å; V496-V515 HydrophobicContact CB-CG1 4.17Å; V496-V515 HydrophobicContact CG1-CB 4.3Å; V496-V515 HydrophobicContact CG1-CG1 4Å; V496-V515 HydrophobicContact CG1-CG2 4.32Å; V496-Y520 HydrophobicContact CG1-CD1 3.74Å; V496-Y520 HydrophobicContact CG1-CE1 3.57Å; V496-Y520 HydrophobicContact CG1-CE2 4.38Å; V496-Y520 HydrophobicContact CG1-CG 4.21Å; V496-V523 HydrophobicContact CG2-CG1 3.81Å; V496-L537 HydrophobicContact CG1-CD1 4.36Å; V496-L537 HydrophobicContact CG2-CD1 4.07Å; V496-L540 HydrophobicContact CG1-CD1 4.24Å
497G88.3Confident89.7Confident49 Ų4957.6 Ų57.651%0.50530%0.298SS..THydrogen-bonded Turntrans66.5-116.6-174.700000110.8
498E86.4Confident89.7Confident185 Ų18557.5 Ų57.586%0.86430%0.299SS*.THydrogen-bonded Turntrans-95.8-6.4178-61.3-177.6170.800113V496V496-E498 PolarHBondContact O-N 3.45Å
499T89.6Confident89.7Confident40 Ų4058.3 Ų58.325%0.24530%0.302CS..EExtended strand (participates in β ladder)trans-99.7130-174.5-48.60000110.8T495 V496 F501T495-T499 CarbonylContact C-O 3.5Å; T495-T499 WeakPolarHBondContact CA-O 3.38Å; V496-T499 PolarHBondContact N-O 3.27Å; V496-T499 PolarHBondContact O-N 3.09Å; V496-T499 VanDerWaalsContact O-N 3.14Å; T499-F501 HydrophobicContact CG2-CD2 4.29Å; T499-F501 HydrophobicContact CG2-CE2 3.66Å; T499-F501 HydrophobicContact CG2-CZ 3.87Å
500E91.4Very high90Very high121 Ų12154.6 Ų54.657%0.56528%0.279SS*.EExtended strand (participates in β ladder)trans-102.7133174.2-168.6177.9-17400110.8N493 I494N493-E500 PolarHBondContact ND2-OE1 3.43Å; I494-E500 CarbonylContact O-C 3.55Å
501F93.3Very high90.1Very high5 Ų554.8 Ų54.82%0.02229%0.292CS..EExtended strand (participates in β ladder)trans-113.9120.4179.6-66.9-95.5000109.7V482 F484 N493 I494 V496 T499 V503 V515V482-F501 HydrophobicContact CB-CZ 4.17Å; V482-F501 HydrophobicContact CG1-CZ 4.44Å; V482-F501 VanDerWaalsContact O-CE1 3.24Å; V482-F501 WeakPolarHBondContact O-CE1 3.2Å; F484-F501 HydrophobicContact CD2-CB 3.94Å; F484-F501 AromaticContact CD2-CD1 3.92Å; F484-F501 HydrophobicContact CD2-CD1 3.92Å; F484-F501 HydrophobicContact CD2-CD2 4.26Å; F484-F501 HydrophobicContact CD2-CE1 4.49Å; F484-F501 AromaticContact CD2-CG 3.78Å; F484-F501 HydrophobicContact CD2-CG 3.78Å; F484-F501 HydrophobicContact CE2-CB 4.21Å; F484-F501 HydrophobicContact CE2-CD1 4.14Å; F484-F501 AromaticContact CE2-CD2 3.76Å; F484-F501 HydrophobicContact CE2-CD2 3.76Å; F484-F501 HydrophobicContact CE2-CE1 4.47Å; F484-F501 HydrophobicContact CE2-CE2 4.13Å; F484-F501 AromaticContact CE2-CG 3.77Å; F484-F501 HydrophobicContact CE2-CG 3.77Å; F484-F501 HydrophobicContact CE2-CZ 4.45Å; N493-F501 WeakPolarHBondContact CA-O 3.36Å; I494-F501 HydrophobicContact CB-CB 4.45Å; I494-F501 PolarHBondContact N-O 2.97Å; I494-F501 PolarHBondContact O-N 3.25Å; V496-F501 HydrophobicContact CB-CD2 4.48Å; V496-F501 HydrophobicContact CB-CE2 4Å; V496-F501 HydrophobicContact CG2-CD2 4.08Å; V496-F501 HydrophobicContact CG2-CE2 3.93Å; T499-F501 HydrophobicContact CG2-CD2 4.29Å; T499-F501 HydrophobicContact CG2-CE2 3.66Å; T499-F501 HydrophobicContact CG2-CZ 3.87Å; F501-V503 HydrophobicContact CB-CG2 4.32Å; F501-V515 HydrophobicContact CE2-CG1 4.03Å; F501-V515 HydrophobicContact CZ-CG1 3.97Å
502Y93.2Very high90Very high148 Ų14855.8 Ų55.858%0.5829%0.294SS*.EExtended strand (participates in β ladder)trans-84.9119.7164.2177.9-104.6000109.2A491 N493 P504 S510A491-Y502 HydrophobicContact CB-CE2 4.23Å; N493-Y502 WeakPolarHBondContact OD1-CD2 3.31Å; Y502-P504 HydrophobicContact CD1-CG 4.24Å; Y502-P504 HydrophobicContact CE1-CB 4.3Å; Y502-P504 HydrophobicContact CE1-CG 3.98Å; Y502-S510 WeakPolarHBondContact O-CB 3.41Å
503V92.4Very high90Very high0 Ų057.7 Ų57.70%031%0.308CS..EExtended strand (participates in β ladder)trans-114.3105.7-176.6-156.50000109.3F484 N486 A491 M492 I494 F501 L550F484-V503 HydrophobicContact CB-CB 4.38Å; F484-V503 HydrophobicContact CB-CG1 3.73Å; F484-V503 HydrophobicContact CB-CG2 3.65Å; F484-V503 HydrophobicContact CG-CG2 4.19Å; N486-V503 HydrophobicContact CB-CB 4.39Å; N486-V503 HydrophobicContact CB-CG1 3.52Å; A491-V503 WeakPolarHBondContact CA-O 3.31Å; M492-V503 PolarHBondContact N-O 3.27Å; M492-V503 PolarHBondContact O-N 3.3Å; I494-V503 HydrophobicContact CD1-CG2 4.07Å; I494-V503 HydrophobicContact CG1-CG2 4.24Å; F501-V503 HydrophobicContact CB-CG2 4.32Å; V503-L550 HydrophobicContact CG1-CD1 4.38Å
504P90.6Very high89.8Confident38 Ų3857 Ų5725%0.24731%0.307CS..  trans-66.3157.7-175.5-13.926.3000112.3N486 Y502N486-P504 WeakPolarHBondContact CB-O 3.34Å; N486-P504 PolarHBondContact ND2-O 3.47Å; N486-P504 VanDerWaalsContact ND2-O 3.15Å; Y502-P504 HydrophobicContact CD1-CG 4.24Å; Y502-P504 HydrophobicContact CE1-CB 4.3Å; Y502-P504 HydrophobicContact CE1-CG 3.98Å
505Q87.1Confident89.7Confident82 Ų8257.1 Ų57.138%0.38331%0.307SS..THydrogen-bonded Turntrans-72.9170.4178.564.8-174.42200114.1P489 E490 A491 S508P489-Q505 WeakPolarHBondContact O-CB 3.11Å; P489-Q505 PolarHBondContact O-OE1 3.11Å; E490-Q505 VanDerWaalsContact C-CB 3.5Å; A491-Q505 HydrophobicContact CB-CB 4.35Å; Q505-S508 WeakPolarHBondContact O-CB 3.48Å; Q505-S508 PolarHBondContact O-OG 2.94Å
506K83.1Confident89.5Confident142 Ų14259 Ų5962%0.61732%0.316SS*.THydrogen-bonded Turntrans59.468.8168.5-60.5177.8-177.7-177.80113.3L488 S508L488-K506 PolarHBondContact O-N 3.46Å; L488-K506 VanDerWaalsContact O-N 3.14Å; K506-S508 VanDerWaalsContact C-N 3.32Å; K506-S508 PolarHBondContact O-N 3.23Å; K506-S508 PolarHBondContact O-OG 3.36Å
507Y86.2Confident89.3Confident67 Ų6762.4 Ų62.426%0.26333%0.329SS..THydrogen-bonded Turntrans58.141.4173.5-66.1-86.4000112.6H457 K466 F485 N486 T487H457-Y507 HydrophobicContact CB-CD1 3.83Å; H457-Y507 HydrophobicContact CB-CE1 3.51Å; H457-Y507 AromaticContact CD2-CD1 3.75Å; H457-Y507 AromaticContact CD2-CG 3.96Å; H457-Y507 AromaticContact CE1-CD2 3.69Å; H457-Y507 AromaticContact CE1-CE2 3.95Å; H457-Y507 AromaticContact CE1-CG 3.76Å; H457-Y507 AromaticContact CG-CD1 3.51Å; H457-Y507 AromaticContact CG-CE1 3.53Å; H457-Y507 AromaticContact CG-CG 3.97Å; H457-Y507 AromaticContact CG-CZ 3.98Å; H457-Y507 AromaticContact ND1-CD1 3.75Å; H457-Y507 AromaticContact ND1-CD2 3.83Å; H457-Y507 AromaticContact ND1-CE1 3.62Å; H457-Y507 AromaticContact ND1-CE2 3.68Å; H457-Y507 AromaticContact ND1-CG 3.85Å; H457-Y507 AromaticContact ND1-CZ 3.57Å; H457-Y507 AromaticContact NE2-CG 3.81Å; K466-Y507 WeakPolarHBondContact CD-O 3.4Å; K466-Y507 VanDerWaalsContact CE-O 3.27Å; K466-Y507 WeakPolarHBondContact CE-O 3.35Å; K466-Y507 PolarHBondContact NZ-O 3.15Å; F485-Y507 AromaticContact CE1-CD1 3.86Å; F485-Y507 HydrophobicContact CE1-CD1 3.86Å; F485-Y507 VanDerWaalsContact CE2-C 3.43Å; F485-Y507 WeakPolarHBondContact CE2-O 3.42Å; F485-Y507 VanDerWaalsContact CZ-C 3.4Å; F485-Y507 HydrophobicContact CZ-CD1 4.04Å; F485-Y507 HydrophobicContact CZ-CG 4.43Å; F485-Y507 VanDerWaalsContact CZ-O 3.27Å; F485-Y507 WeakPolarHBondContact CZ-O 3.24Å; N486-Y507 WeakPolarHBondContact O-CA 3.42Å; N486-Y507 PolarHBondContact O-N 2.95Å; T487-Y507 HydrophobicContact CG2-CD1 4.27Å; T487-Y507 HydrophobicContact CG2-CE1 4.04Å
508S88.2Confident89.3Confident26 Ų2660.6 Ų60.618%0.18231%0.31CS..EExtended strand (participates in β ladder)trans-112.6151.7-176.3-64.10000112K466 N486 Q505 K506K466-S508 PolarHBondContact NZ-OG 3.32Å; K466-S508 VanDerWaalsContact NZ-OG 3.12Å; N486-S508 PolarHBondContact N-O 3.01Å; N486-S508 PolarHBondContact O-N 3.48Å; Q505-S508 WeakPolarHBondContact O-CB 3.48Å; Q505-S508 PolarHBondContact O-OG 2.94Å; K506-S508 VanDerWaalsContact C-N 3.32Å; K506-S508 PolarHBondContact O-N 3.23Å; K506-S508 PolarHBondContact O-OG 3.36Å
509M89.1Confident89.5Confident33 Ų3357.1 Ų57.116%0.16330%0.303CS..EExtended strand (participates in β ladder)trans-97.3143.8-179.4-163.569.679.300110.3I455 V468 R483 F484 F485I455-M509 HydrophobicContact CD1-CE 4.04Å; V468-M509 HydrophobicContact CG1-CB 4.13Å; V468-M509 HydrophobicContact CG1-CE 4.01Å; V468-M509 HydrophobicContact CG1-CG 4.1Å; V468-M509 HydrophobicContact CG2-CE 4.44Å; R483-M509 HydrophobicContact CB-CG 4.45Å; R483-M509 HydrophobicContact CB-SD 4.25Å; R483-M509 HydrophobicContact CG-CG 4.44Å; R483-M509 HydrophobicContact CG-SD 3.88Å; F484-M509 VanDerWaalsContact C-SD 3.56Å; F484-M509 CarbonylContact O-C 3.59Å; F484-M509 WeakPolarHBondContact O-CA 3.37Å; F485-M509 HydrophobicContact CB-CE 3.95Å; F485-M509 HydrophobicContact CB-SD 3.7Å; F485-M509 HydrophobicContact CD2-CB 4.28Å; F485-M509 HydrophobicContact CD2-CE 3.64Å; F485-M509 HydrophobicContact CD2-SD 3.94Å; F485-M509 HydrophobicContact CG-CE 4.16Å; F485-M509 HydrophobicContact CG-SD 4.33Å
510S92.7Very high89.7Confident11 Ų1156.8 Ų56.88%0.07730%0.298CS..PPolyproline II helixtrans-72.9167.8166.674.10000111.3F484 Y502F484-S510 PolarHBondContact N-OG 2.88Å; F484-S510 PolarHBondContact O-N 3.26Å; Y502-S510 WeakPolarHBondContact O-CB 3.41Å
511A89.3Confident89.6Confident75 Ų7554.1 Ų54.162%0.6230%0.296SS*.PPolyproline II helixtrans-60.2149.6161.300000110.1
512N88.8Confident89.4Confident46 Ų4656.9 Ų56.925%0.24632%0.32CS..PPolyproline II helixtrans-77.3139.1171.1-173.333.6000109.6Y471 V482Y471-N512 WeakPolarHBondContact CB-ND2 3.48Å; Y471-N512 WeakPolarHBondContact CD1-ND2 3.44Å; V482-N512 PolarHBondContact N-OD1 3.31Å; V482-N512 PolarHBondContact O-OD1 3.47Å; V482-N512 VanDerWaalsContact O-OD1 3.12Å
513S89.9Confident89.3Confident42 Ų4250 Ų5029%0.29429%0.293SS..EExtended strand (participates in β ladder)trans-148.5148.2174.2-60.90000111.5V482V482-S513 PolarHBondContact N-O 3.45Å; V482-S513 PolarHBondContact O-N 3.49Å
514S89.3Confident89.2Confident37 Ų3757.8 Ų57.826%0.25932%0.323SS..EExtended strand (participates in β ladder)trans-77.6142.7175.7-172.60000110.6N475 N479 P480N475-S514 WeakPolarHBondContact ND2-CB 3.3Å; N475-S514 PolarHBondContact ND2-OG 3.45Å; N479-S514 VanDerWaalsContact CB-OG 3.23Å; N479-S514 WeakPolarHBondContact CB-OG 3.43Å; P480-S514 WeakPolarHBondContact O-CA 3.35Å; P480-S514 PolarHBondContact O-OG 3.36Å
515V90Very high89.1Confident3 Ų356.2 Ų56.22%0.01831%0.312CS..  trans-127.9160.4172.3-57.60000110.2N479 P480 V482 V496 F501 L540N479-V515 WeakPolarHBondContact CB-O 3.01Å; P480-V515 VanDerWaalsContact CD-O 3.25Å; P480-V515 WeakPolarHBondContact CD-O 3.44Å; P480-V515 HydrophobicContact CG-CG2 3.91Å; P480-V515 WeakPolarHBondContact CG-O 3.44Å; P480-V515 PolarHBondContact O-N 3.03Å; V482-V515 HydrophobicContact CG2-CG1 4.42Å; V482-V515 HydrophobicContact CG2-CG2 3.67Å; V496-V515 HydrophobicContact CB-CG1 4.17Å; V496-V515 HydrophobicContact CG1-CB 4.3Å; V496-V515 HydrophobicContact CG1-CG1 4Å; V496-V515 HydrophobicContact CG1-CG2 4.32Å; F501-V515 HydrophobicContact CE2-CG1 4.03Å; F501-V515 HydrophobicContact CZ-CG1 3.97Å; V515-L540 HydrophobicContact CG2-CD1 3.69Å
516N88.3Confident89Confident90 Ų9054.7 Ų54.748%0.48131%0.311SS..  trans-65.5146.5175.9-69.5-30.3000110.6G518 Y520N516-G518 PolarHBondContact O-N 3.41Å; N516-Y520 WeakPolarHBondContact O-CE2 3.4Å; N516-Y520 PolarHBondContact O-OH 3.06Å
517R88.3Confident88.9Confident71 Ų7149.5 Ų49.527%0.26829%0.289SS..SBendtrans-62135.3170.7173.8-178.6-179-921110.5L540 D541 F542R517-L540 WeakPolarHBondContact CA-O 3.29Å; R517-L540 WeakPolarHBondContact CG-O 3.44Å; R517-D541 IonicContact CZ-OD1 3.36Å; R517-D541 IonicContact NE-OD1 3.17Å; R517-D541 PolarHBondContact NE-OD1 3.44Å; R517-D541 IonicContact NH2-OD1 3.59Å; R517-F542 HydrophobicContact CB-CD1 4.12Å; R517-F542 HydrophobicContact CB-CE1 3.88Å; R517-F542 HydrophobicContact CB-CZ 4.27Å; R517-F542 HydrophobicContact CG-CE1 4.39Å; R517-F542 HydrophobicContact CG-CZ 4.39Å
518G88.5Confident87.7Confident11 Ų1152.4 Ų52.411%0.11331%0.305CS..EExtended strand (participates in β ladder)trans168172.8170.300000114.4N516 Y520 L540N516-G518 PolarHBondContact O-N 3.41Å; G518-Y520 WeakPolarHBondContact O-CD2 2.99Å; G518-L540 PolarHBondContact N-O 2.95Å; G518-L540 PolarHBondContact O-N 2.85Å
519P91.2Very high86.1Confident111 Ų11158.4 Ų58.472%0.72134%0.341SS*.EExtended strand (participates in β ladder)trans-77.2121.8170.130.8-31.8000110.7
520Y92.3Very high84.9Confident33 Ų3364.9 Ų64.913%0.12937%0.368CS..EExtended strand (participates in β ladder)trans-109.681.2178.7-73.4-84.1000110.4V496 N516 G518 V523 L537 G538 L540V496-Y520 HydrophobicContact CG1-CD1 3.74Å; V496-Y520 HydrophobicContact CG1-CE1 3.57Å; V496-Y520 HydrophobicContact CG1-CE2 4.38Å; V496-Y520 HydrophobicContact CG1-CG 4.21Å; N516-Y520 WeakPolarHBondContact O-CE2 3.4Å; N516-Y520 PolarHBondContact O-OH 3.06Å; G518-Y520 WeakPolarHBondContact O-CD2 2.99Å; Y520-V523 HydrophobicContact CD1-CG2 4.07Å; Y520-V523 HydrophobicContact CG-CG2 4.34Å; Y520-L537 PolarHBondContact O-N 3.28Å; Y520-G538 PolarHBondContact N-O 3.43Å; Y520-G538 PolarHBondContact O-N 2.92Å; Y520-L540 HydrophobicContact CD2-CB 4.13Å; Y520-L540 HydrophobicContact CD2-CD1 3.54Å; Y520-L540 HydrophobicContact CD2-CG 3.69Å; Y520-L540 HydrophobicContact CE2-CB 4.22Å; Y520-L540 HydrophobicContact CE2-CD1 3.75Å; Y520-L540 HydrophobicContact CE2-CG 4.16Å; Y520-L540 HydrophobicContact CG-CD1 4.29Å
521A90Very high83.9Confident65 Ų6571.6 Ų71.654%0.53740%0.398SS..SBendtrans-83.4-24.3-177.200000114.1Y536A521-Y536 HydrophobicContact CB-CD2 4.06Å; A521-Y536 HydrophobicContact CB-CE2 4.07Å
522A89.2Confident83.4Confident63 Ų6369.2 Ų69.252%0.52138%0.377SS..SBendtrans-14378.9-175.900000111.3N534A522-N534 HydrophobicContact CB-CB 3.94Å
523V91.3Very high83.2Confident3 Ų372.7 Ų72.72%0.01839%0.391CS..BIsolated β-bridgetrans-84.7130.4178.1173.70000109.8I494 T495 V496 Y520 N534 L535 L537I494-V523 HydrophobicContact CG2-CG1 3.48Å; I494-V523 VanDerWaalsContact CG2-CG1 3.48Å; T495-V523 WeakPolarHBondContact O-CG1 3.49Å; V496-V523 HydrophobicContact CG2-CG1 3.81Å; Y520-V523 HydrophobicContact CD1-CG2 4.07Å; Y520-V523 HydrophobicContact CG-CG2 4.34Å; V523-N534 CarbonylContact O-C 3.3Å; V523-N534 WeakPolarHBondContact O-CA 3.48Å; V523-L535 HydrophobicContact CB-CB 4.17Å; V523-L535 WeakPolarHBondContact CB-O 3.44Å; V523-L535 PolarHBondContact N-O 3.12Å; V523-L535 PolarHBondContact O-N 3.29Å; V523-L537 HydrophobicContact CB-CD1 4.38Å; V523-L537 HydrophobicContact CB-CG 4.4Å; V523-L537 HydrophobicContact CG1-CD1 4.36Å; V523-L537 HydrophobicContact CG2-CD1 3.67Å; V523-L537 HydrophobicContact CG2-CG 3.78Å
524R90.1Very high83.1Confident165 Ų16575.1 Ų75.162%0.62340%0.401SS*.EExtended strand (participates in β ladder)trans-77.1137.4-177-65178.9-176.9161.62110I494 T495I494-R524 WeakPolarHBondContact CA-O 3.22Å; T495-R524 PolarHBondContact N-O 3.32Å
525C88.8Confident83.2Confident4 Ų473.5 Ų73.53%0.02739%0.389CS..EExtended strand (participates in β ladder)trans-133.5150173.168.60000110.7M492 N493 I494 C532 E533 L535M492-C525 HydrophobicContact CE-CB 4.05Å; N493-C525 CarbonylContact O-C 3.59Å; N493-C525 WeakPolarHBondContact O-CA 3.38Å; I494-C525 HydrophobicContact CG1-CB 4.23Å; C525-C532 WeakPolarHBondContact CB-SG 3.09Å; C525-C532 PolarHBondContact O-N 3.44Å; C525-C532 PolarHBondContact O-SG 3.32Å; C525-C532 VanDerWaalsContact O-SG 3.38Å; C525-C532 WeakPolarHBondContact SG-CB 3.41Å; C525-C532 CovalentContact SG-SG 2.02Å; C525-C532 PolarHBondContact SG-SG 2.92Å; C525-E533 PolarHBondContact SG-O 2.88Å; C525-L535 HydrophobicContact CB-CD1 4.04Å; C525-L535 HydrophobicContact CB-CG 4.34Å
526S84.9Confident83.3Confident50 Ų5081 Ų8135%0.3542%0.418SS..EExtended strand (participates in β ladder)trans-138.8142.4176.161.90000111.5N493N493-S526 PolarHBondContact N-O 3.4Å; N493-S526 VanDerWaalsContact N-O 3.07Å; N493-S526 PolarHBondContact O-N 3.4Å
527H80.4Confident83.6Confident34 Ų3477 Ų7716%0.15740%0.397CS..EExtended strand (participates in β ladder)trans-136.9124.7-178.9173.9-91000110.2E490 A491 T529 K530E490-H527 WeakPolarHBondContact CB-NE2 3.43Å; E490-H527 IonicContact OE1-CE1 3.89Å; E490-H527 IonicContact OE1-NE2 3.94Å; E490-H527 IonicContact OE2-CD2 2.83Å; E490-H527 IonicContact OE2-CE1 3.04Å; E490-H527 PolarHBondContact OE2-CE1 2.95Å; E490-H527 IonicContact OE2-ND1 2.7Å; E490-H527 IonicContact OE2-NE2 3.02Å; E490-H527 PolarHBondContact OE2-NE2 3.22Å; A491-H527 PolarHBondContact O-CD2 3.11Å; A491-H527 VanDerWaalsContact O-CD2 3.29Å; H527-T529 PolarHBondContact O-N 3.34Å; H527-K530 PolarHBondContact N-O 3.45Å; H527-K530 PolarHBondContact O-N 3.26Å
528Q62.1Low83.7Confident128 Ų12873.9 Ų73.960%0.59839%0.387SS*.THydrogen-bonded Turntrans33.550.8179.9-72.1177.321.500114.7E490 K530E490-Q528 PolarHBondContact OE1-NE2 3.31Å; E490-Q528 PolarHBondContact OE1-OE1 2.97Å; Q528-K530 PolarHBondContact O-N 3.31Å
529T54.8Low83.8Confident152 Ų15276.8 Ų76.893%0.93340%0.4SS*.THydrogen-bonded Turntrans73.71.6-17972.50000118.3H527H527-T529 PolarHBondContact O-N 3.34Å
530K63.3Low83.9Confident169 Ų16971.5 Ų71.574%0.73537%0.365SS*.EExtended strand (participates in β ladder)trans-106.1140.3167.7-73.2-177.5179.6176.40111.3H527 Q528H527-K530 PolarHBondContact N-O 3.45Å; H527-K530 PolarHBondContact O-N 3.26Å; Q528-K530 PolarHBondContact O-N 3.31Å
531Q72.4Confident83.8Confident151 Ų15171.4 Ų71.471%0.70637%0.367SS*.EExtended strand (participates in β ladder)trans-80.7125.6177.8-150.7169.15.600108.9
532C78.8Confident83.7Confident26 Ų2668.6 Ų68.618%0.17634%0.343CS..PPolyproline II helixtrans-84.3166.5172.339.30000110.7M492 C525 I557M492-C532 WeakPolarHBondContact CE-SG 3.42Å; C525-C532 WeakPolarHBondContact CB-SG 3.09Å; C525-C532 PolarHBondContact O-N 3.44Å; C525-C532 PolarHBondContact O-SG 3.32Å; C525-C532 VanDerWaalsContact O-SG 3.38Å; C525-C532 WeakPolarHBondContact SG-CB 3.41Å; C525-C532 CovalentContact SG-SG 2.02Å; C525-C532 PolarHBondContact SG-SG 2.92Å; C532-I557 HydrophobicContact CB-CD1 4.24Å
533E83.9Confident83.6Confident118 Ų11865.7 Ų65.755%0.55132%0.319SS*.PPolyproline II helixtrans-58.6146175.3-68.9-172.3172.800110.5C525 L535 K556C525-E533 PolarHBondContact SG-O 2.88Å; E533-L535 PolarHBondContact O-N 3.45Å; E533-K556 VanDerWaalsContact CD-NZ 3.28Å; E533-K556 IonicContact OE1-NZ 2.81Å; E533-K556 PolarHBondContact OE1-NZ 3.01Å; E533-K556 WeakPolarHBondContact OE2-CD 3.42Å; E533-K556 IonicContact OE2-NZ 2.71Å; E533-K556 PolarHBondContact OE2-NZ 3.23Å
534N87.9Confident83.6Confident93 Ų9365.6 Ų65.650%0.49732%0.318SS..PPolyproline II helixtrans-61.4134.4-179.3-68.8-34.2000110.7A522 V523A522-N534 HydrophobicContact CB-CB 3.94Å; V523-N534 CarbonylContact O-C 3.3Å; V523-N534 WeakPolarHBondContact O-CA 3.48Å
535L91.4Very high83.7Confident3 Ų357.9 Ų57.92%0.01629%0.29CS..BIsolated β-bridgetrans-83.3140.8178.9-58.3172000110.5I494 V523 C525 E533 L537 L550 I557 A559I494-L535 HydrophobicContact CD1-CD1 3.88Å; I494-L535 HydrophobicContact CG1-CD1 4.43Å; I494-L535 HydrophobicContact CG2-CD1 4.4Å; V523-L535 HydrophobicContact CB-CB 4.17Å; V523-L535 WeakPolarHBondContact CB-O 3.44Å; V523-L535 PolarHBondContact N-O 3.12Å; V523-L535 PolarHBondContact O-N 3.29Å; C525-L535 HydrophobicContact CB-CD1 4.04Å; C525-L535 HydrophobicContact CB-CG 4.34Å; E533-L535 PolarHBondContact O-N 3.45Å; L535-L537 HydrophobicContact CB-CD2 4.44Å; L535-L550 HydrophobicContact CD1-CD2 3.89Å; L535-I557 HydrophobicContact CD2-CG2 4.15Å; L535-A559 HydrophobicContact CB-CB 4.24Å; L535-A559 HydrophobicContact CD2-CB 4.27Å
536Y92.4Very high83.9Confident161 Ų16158.1 Ų58.163%0.63129%0.29SS*.  trans-100.9115.4173.5179.6-93.4000109.8A521A521-Y536 HydrophobicContact CB-CD2 4.06Å; A521-Y536 HydrophobicContact CB-CE2 4.07Å
537L92.7Very high84.2Confident5 Ų555.8 Ų55.83%0.02627%0.274CS..  trans-105.1-13.1177.6-50.9-174.3000112.7F484 V496 Y520 V523 L535 L540 I548 A559 K561F484-L537 HydrophobicContact CZ-CD1 4.15Å; V496-L537 HydrophobicContact CG1-CD1 4.36Å; V496-L537 HydrophobicContact CG2-CD1 4.07Å; Y520-L537 PolarHBondContact O-N 3.28Å; V523-L537 HydrophobicContact CB-CD1 4.38Å; V523-L537 HydrophobicContact CB-CG 4.4Å; V523-L537 HydrophobicContact CG1-CD1 4.36Å; V523-L537 HydrophobicContact CG2-CD1 3.67Å; V523-L537 HydrophobicContact CG2-CG 3.78Å; L535-L537 HydrophobicContact CB-CD2 4.44Å; L537-L540 HydrophobicContact CB-CD2 4.48Å; L537-I548 HydrophobicContact CD1-CD1 3.68Å; L537-I548 HydrophobicContact CD2-CD1 3.86Å; L537-I548 HydrophobicContact CD2-CG2 3.94Å; L537-I548 HydrophobicContact CG-CD1 4.24Å; L537-A559 HydrophobicContact CD2-CB 3.59Å; L537-K561 WeakPolarHBondContact O-CD 3.45Å; L537-K561 PolarHBondContact O-NZ 3.09Å
538G91.6Very high84.8Confident6 Ų654.1 Ų54.16%0.06227%0.266CS..EExtended strand (participates in β ladder)trans67.2-153.4-175.100000112.4Y520 L540Y520-G538 PolarHBondContact N-O 3.43Å; Y520-G538 PolarHBondContact O-N 2.92Å; G538-L540 PolarHBondContact O-N 3.29Å
539L91.2Very high86.3Confident73 Ų7348.2 Ų48.238%0.38224%0.239SC..EExtended strand (participates in β ladder)trans-72.5126.8176.8-178.364.5000110.6D541 K561L539-D541 HydrophobicContact CD2-CB 4.31Å; L539-D541 HydrophobicContact CG-CB 4.26Å; L539-K561 PolarHBondContact O-NZ 3.3Å
540L92.6Very high88.1Confident0 Ų041 Ų410%019%0.194CC..EExtended strand (participates in β ladder)trans-102.6107.6164.8-57.9-176.6000107.5P480 V482 V496 V515 R517 G518 Y520 L537 G538 Y546 K561P480-L540 HydrophobicContact CB-CB 4.21Å; P480-L540 HydrophobicContact CG-CB 3.85Å; V482-L540 HydrophobicContact CG2-CD1 3.79Å; V496-L540 HydrophobicContact CG1-CD1 4.24Å; V515-L540 HydrophobicContact CG2-CD1 3.69Å; R517-L540 WeakPolarHBondContact CA-O 3.29Å; R517-L540 WeakPolarHBondContact CG-O 3.44Å; G518-L540 PolarHBondContact N-O 2.95Å; G518-L540 PolarHBondContact O-N 2.85Å; Y520-L540 HydrophobicContact CD2-CB 4.13Å; Y520-L540 HydrophobicContact CD2-CD1 3.54Å; Y520-L540 HydrophobicContact CD2-CG 3.69Å; Y520-L540 HydrophobicContact CE2-CB 4.22Å; Y520-L540 HydrophobicContact CE2-CD1 3.75Å; Y520-L540 HydrophobicContact CE2-CG 4.16Å; Y520-L540 HydrophobicContact CG-CD1 4.29Å; L537-L540 HydrophobicContact CB-CD2 4.48Å; G538-L540 PolarHBondContact O-N 3.29Å; L540-Y546 HydrophobicContact CB-CE2 4.12Å; L540-Y546 HydrophobicContact CD2-CD2 3.69Å; L540-Y546 HydrophobicContact CD2-CE2 3.81Å; L540-Y546 HydrophobicContact CD2-CG 4.15Å; L540-K561 HydrophobicContact CD2-CD 3.95Å
541D90.1Very high89.3Confident30 Ų3033.9 Ų33.916%0.1617%0.165CC..  trans-100.8167-169.4-150.70.6000113.6P480 R517 L539 Y546 A567P480-D541 WeakPolarHBondContact CB-O 3.23Å; R517-D541 IonicContact CZ-OD1 3.36Å; R517-D541 IonicContact NE-OD1 3.17Å; R517-D541 PolarHBondContact NE-OD1 3.44Å; R517-D541 IonicContact NH2-OD1 3.59Å; L539-D541 HydrophobicContact CD2-CB 4.31Å; L539-D541 HydrophobicContact CG-CB 4.26Å; D541-Y546 PolarHBondContact N-OH 3.12Å; D541-A567 HydrophobicContact CB-CB 3.9Å
542F88.9Confident90.1Very high7 Ų732.6 Ų32.63%0.03116%0.159CC..THydrogen-bonded Turntrans-60.3139.1-172.5-68.4-62.1000113.8N298 L299 A300 T306 G478 R517 A544 A567 N568N298-F542 WeakPolarHBondContact OD1-CD2 3.28Å; L299-F542 HydrophobicContact CB-CD2 4.38Å; L299-F542 HydrophobicContact CB-CE1 4.33Å; L299-F542 HydrophobicContact CB-CE2 3.95Å; L299-F542 HydrophobicContact CB-CZ 3.92Å; A300-F542 HydrophobicContact CB-CD2 4.46Å; A300-F542 HydrophobicContact CB-CE2 3.57Å; A300-F542 HydrophobicContact CB-CZ 4.4Å; T306-F542 HydrophobicContact CG2-CZ 3.8Å; G478-F542 CarbonylContact O-C 3.59Å; G478-F542 VanDerWaalsContact O-C 3.3Å; G478-F542 WeakPolarHBondContact O-CA 3.49Å; G478-F542 VanDerWaalsContact O-CB 3.27Å; G478-F542 WeakPolarHBondContact O-CB 3.49Å; G478-F542 WeakPolarHBondContact O-CD1 3.49Å; R517-F542 HydrophobicContact CB-CD1 4.12Å; R517-F542 HydrophobicContact CB-CE1 3.88Å; R517-F542 HydrophobicContact CB-CZ 4.27Å; R517-F542 HydrophobicContact CG-CE1 4.39Å; R517-F542 HydrophobicContact CG-CZ 4.39Å; F542-A544 PolarHBondContact O-N 3.45Å; F542-A544 VanDerWaalsContact O-N 3.08Å; F542-A567 CarbonylContact O-C 3.56Å; F542-A567 WeakPolarHBondContact O-CA 3.31Å; F542-N568 HydrophobicContact CB-CB 4.46Å; F542-N568 PolarHBondContact O-N 2.88Å
543G86.4Confident90.4Very high1 Ų135 Ų351%0.0117%0.167CC..THydrogen-bonded Turntrans694.1170.900000114.1K474 G478K474-G543 WeakPolarHBondContact CD-O 3.41Å; K474-G543 WeakPolarHBondContact CE-O 3.49Å; K474-G543 VanDerWaalsContact CG-O 3.29Å; K474-G543 WeakPolarHBondContact CG-O 3.34Å; K474-G543 PolarHBondContact NZ-O 3.28Å; G478-G543 PolarHBondContact O-N 3.2Å
544A90.8Very high90.4Very high2 Ų239 Ų392%0.01719%0.187CC..  trans-82.1151175.700000111.2P480 N481 F542 Y546 V565 A567P480-A544 VanDerWaalsContact CA-O 3.29Å; P480-A544 WeakPolarHBondContact CA-O 3.25Å; N481-A544 PolarHBondContact N-O 3.37Å; F542-A544 PolarHBondContact O-N 3.45Å; F542-A544 VanDerWaalsContact O-N 3.08Å; A544-Y546 HydrophobicContact CB-CD2 4.12Å; A544-Y546 HydrophobicContact CB-CE1 4.08Å; A544-Y546 HydrophobicContact CB-CE2 3.34Å; A544-Y546 VanDerWaalsContact CB-OH 3.26Å; A544-Y546 WeakPolarHBondContact CB-OH 3.38Å; A544-V565 WeakPolarHBondContact CA-O 3.31Å; A544-V565 WeakPolarHBondContact CB-O 3.43Å; A544-A567 HydrophobicContact CB-CB 4.04Å
545S91.7Very high90Very high3 Ų337.5 Ų37.52%0.02119%0.193CC..EExtended strand (participates in β ladder)trans-117.5125.6167.1-171.40000107.9Y471 N481 D564 V565Y471-S545 PolarHBondContact O-OG 3.16Å; N481-S545 WeakPolarHBondContact O-CA 3.45Å; S545-D564 PolarHBondContact O-N 3.11Å; S545-V565 PolarHBondContact N-O 3.04Å; S545-V565 PolarHBondContact O-N 3.33Å
546Y92.7Very high89.7Confident8 Ų842.3 Ų42.33%0.03121%0.213CC..EExtended strand (participates in β ladder)trans-116.2130.3-175.9-59.9-76.9000111.7P480 N481 R483 L540 D541 A544 K561 M562 E563P480-Y546 HydrophobicContact CB-CD2 4.23Å; P480-Y546 HydrophobicContact CB-CE2 3.96Å; N481-Y546 PolarHBondContact O-N 3.29Å; R483-Y546 PolarHBondContact N-O 3.34Å; L540-Y546 HydrophobicContact CB-CE2 4.12Å; L540-Y546 HydrophobicContact CD2-CD2 3.69Å; L540-Y546 HydrophobicContact CD2-CE2 3.81Å; L540-Y546 HydrophobicContact CD2-CG 4.15Å; D541-Y546 PolarHBondContact N-OH 3.12Å; A544-Y546 HydrophobicContact CB-CD2 4.12Å; A544-Y546 HydrophobicContact CB-CE1 4.08Å; A544-Y546 HydrophobicContact CB-CE2 3.34Å; A544-Y546 VanDerWaalsContact CB-OH 3.26Å; A544-Y546 WeakPolarHBondContact CB-OH 3.38Å; Y546-K561 HydrophobicContact CD1-CD 3.61Å; Y546-K561 HydrophobicContact CD1-CG 3.67Å; Y546-K561 HydrophobicContact CE1-CD 3.85Å; Y546-K561 HydrophobicContact CE1-CG 4.32Å; Y546-K561 HydrophobicContact CG-CD 4.18Å; Y546-K561 HydrophobicContact CG-CG 4.26Å; Y546-M562 CarbonylContact C-O 3.36Å; Y546-M562 VanDerWaalsContact CA-O 3.24Å; Y546-M562 WeakPolarHBondContact CA-O 3.2Å; Y546-E563 HydrophobicContact CD1-CB 4.28Å; Y546-E563 HydrophobicContact CD1-CG 4.36Å; Y546-E563 HydrophobicContact CE1-CB 4.23Å; Y546-E563 HydrophobicContact CE1-CG 3.99Å
547S92.4Very high89.5Confident1 Ų136.8 Ų36.81%0.00719%0.194CC..EExtended strand (participates in β ladder)trans-99.8115.4165-73.40000109.2R483 M562 D564R483-S547 VanDerWaalsContact CZ-OG 3.29Å; R483-S547 PolarHBondContact NE-OG 3.21Å; R483-S547 PolarHBondContact NH2-OG 3.43Å; S547-M562 PolarHBondContact N-O 3.48Å; S547-M562 WeakPolarHBondContact O-CA 3.38Å; S547-M562 WeakPolarHBondContact O-CB 3.34Å; S547-M562 PolarHBondContact O-N 2.88Å; S547-D564 WeakPolarHBondContact CB-OD1 3.38Å; S547-D564 PolarHBondContact N-OD2 3.08Å; S547-D564 PolarHBondContact OG-OD1 3.12Å; S547-D564 VanDerWaalsContact OG-OD1 3.1Å; S547-D564 PolarHBondContact OG-OD2 2.87Å
548I93.6Very high89.4Confident0 Ų038.7 Ų38.70%021%0.206CC..EExtended strand (participates in β ladder)trans-104.7110-176.6-55.9177.4000108.7V482 R483 F484 F485 L537 A559 K560V482-I548 HydrophobicContact CG1-CD1 3.49Å; V482-I548 VanDerWaalsContact CG1-CD1 3.49Å; V482-I548 HydrophobicContact CG1-CG1 4.2Å; R483-I548 PolarHBondContact O-N 2.92Å; F484-I548 CarbonylContact C-O 3.59Å; F484-I548 WeakPolarHBondContact CA-O 3.43Å; F484-I548 HydrophobicContact CD1-CB 3.69Å; F484-I548 HydrophobicContact CD1-CD1 4.46Å; F484-I548 HydrophobicContact CD1-CG2 3.77Å; F484-I548 HydrophobicContact CE1-CB 3.78Å; F484-I548 HydrophobicContact CE1-CD1 3.78Å; F484-I548 HydrophobicContact CE1-CG1 4.37Å; F484-I548 HydrophobicContact CE1-CG2 3.66Å; F484-I548 HydrophobicContact CG-CB 4.43Å; F484-I548 HydrophobicContact CZ-CD1 3.83Å; F485-I548 PolarHBondContact N-O 3.41Å; L537-I548 HydrophobicContact CD1-CD1 3.68Å; L537-I548 HydrophobicContact CD2-CD1 3.86Å; L537-I548 HydrophobicContact CD2-CG2 3.94Å; L537-I548 HydrophobicContact CG-CD1 4.24Å; I548-A559 HydrophobicContact CG2-CB 3.68Å; I548-K560 CarbonylContact C-O 3.58Å; I548-K560 WeakPolarHBondContact CA-O 3.41Å
549V92.5Very high89.4Confident4 Ų439.1 Ų39.12%0.02421%0.209CC..EExtended strand (participates in β ladder)trans-89.4119.5-179.1-172.90000109.3L389 L411 F485 T487 V551 K560 M562L389-V549 HydrophobicContact CD1-CG1 4.31Å; L389-V549 HydrophobicContact CD2-CG1 3.87Å; L389-V549 HydrophobicContact CD2-CG2 4.44Å; L411-V549 HydrophobicContact CD2-CG1 4.45Å; F485-V549 HydrophobicContact CB-CG2 4.3Å; F485-V549 HydrophobicContact CD1-CG1 4.06Å; T487-V549 HydrophobicContact CG2-CG1 3.92Å; V549-V551 HydrophobicContact CG1-CG1 3.9Å; V549-K560 PolarHBondContact N-O 3.4Å; V549-K560 PolarHBondContact O-N 3.27Å; V549-M562 HydrophobicContact CG2-CE 3.84Å; V549-M562 HydrophobicContact CG2-CG 4.46Å; V549-M562 HydrophobicContact CG2-SD 3.76Å
550L92.2Very high89.4Confident0 Ų038.8 Ų38.80%021%0.205CC..EExtended strand (participates in β ladder)trans-88.4116.6176.3-55.6170.9000108.3F484 F485 N486 T487 M492 I494 V503 L535 A559F484-L550 HydrophobicContact CD1-CD1 4.47Å; F484-L550 HydrophobicContact CD1-CD2 4.06Å; F484-L550 HydrophobicContact CD1-CG 4.32Å; F485-L550 PolarHBondContact O-N 3.29Å; N486-L550 HydrophobicContact CB-CD1 4.28Å; T487-L550 WeakPolarHBondContact CG2-O 3.28Å; T487-L550 PolarHBondContact N-O 3.44Å; T487-L550 PolarHBondContact OG1-O 3.38Å; M492-L550 HydrophobicContact SD-CD1 4.03Å; I494-L550 HydrophobicContact CD1-CD1 3.55Å; I494-L550 HydrophobicContact CD1-CD2 3.82Å; I494-L550 HydrophobicContact CD1-CG 4.26Å; V503-L550 HydrophobicContact CG1-CD1 4.38Å; L535-L550 HydrophobicContact CD1-CD2 3.89Å; L550-A559 HydrophobicContact CD2-CB 4.28Å
551V89.8Confident89.4Confident19 Ų1942.4 Ų42.412%0.11522%0.22CC..EExtended strand (participates in β ladder)trans-125.7155.3179.6-64.10000110.4T487 V549 E553 I557 V558 K560T487-V551 HydrophobicContact CG2-CG1 4.23Å; V549-V551 HydrophobicContact CG1-CG1 3.9Å; V551-E553 HydrophobicContact CG2-CG 4.11Å; V551-I557 WeakPolarHBondContact O-CA 3.37Å; V551-V558 HydrophobicContact CG2-CB 4.39Å; V551-V558 PolarHBondContact N-O 3.39Å; V551-V558 PolarHBondContact O-N 2.88Å; V551-K560 HydrophobicContact CG2-CG 3.94Å
552E87.7Confident89.3Confident125 Ų12541.1 Ų41.158%0.58421%0.213SC*.EExtended strand (participates in β ladder)trans-96.9116.2171.1-167.7173.6-179.200109.5L488 K556L488-E552 HydrophobicContact CD2-CB 3.83Å; E552-K556 WeakPolarHBondContact CA-O 3.24Å
553E85.7Confident89.3Confident75 Ų7544.3 Ų44.335%0.3523%0.228SC..EExtended strand (participates in β ladder)trans-121.7124175.2-69.7-178.4169.600108.1V551 G555 K556 V558 K560V551-E553 HydrophobicContact CG2-CG 4.11Å; E553-G555 PolarHBondContact O-N 3.21Å; E553-G555 VanDerWaalsContact O-N 3.12Å; E553-K556 PolarHBondContact N-O 2.92Å; E553-K556 PolarHBondContact O-N 3.4Å; E553-K556 VanDerWaalsContact O-O 3.13Å; E553-V558 HydrophobicContact CB-CG2 4.13Å; E553-K560 VanDerWaalsContact CD-CE 3.5Å; E553-K560 VanDerWaalsContact CD-NZ 3.34Å; E553-K560 WeakPolarHBondContact OE1-CE 3.42Å; E553-K560 IonicContact OE1-NZ 2.9Å; E553-K560 PolarHBondContact OE1-NZ 3.49Å; E553-K560 WeakPolarHBondContact OE2-CE 3.25Å; E553-K560 IonicContact OE2-NZ 3.47Å; E553-K560 PolarHBondContact OE2-NZ 2.88Å
554E83.4Confident89.4Confident204 Ų20444.8 Ų44.895%0.95323%0.231SC*.THydrogen-bonded Turntrans53.633.3178.4-56.6-176.9171.800114.5K556E554-K556 VanDerWaalsContact C-N 3.28Å; E554-K556 PolarHBondContact O-N 3.24Å
555G79.9Confident89.2Confident61 Ų6144.8 Ų44.863%0.62923%0.23SC*.THydrogen-bonded Turntrans76.910.8-178.600000114.5E553E553-G555 PolarHBondContact O-N 3.21Å; E553-G555 VanDerWaalsContact O-N 3.12Å
556K85.4Confident89.2Confident103 Ų10350.4 Ų50.445%0.44825%0.254SS..EExtended strand (participates in β ladder)trans-116.1143.7174.3-65.6-176.3171.5-134.20110.7E533 E552 E553 E554 V558E533-K556 VanDerWaalsContact CD-NZ 3.28Å; E533-K556 IonicContact OE1-NZ 2.81Å; E533-K556 PolarHBondContact OE1-NZ 3.01Å; E533-K556 WeakPolarHBondContact OE2-CD 3.42Å; E533-K556 IonicContact OE2-NZ 2.71Å; E533-K556 PolarHBondContact OE2-NZ 3.23Å; E552-K556 WeakPolarHBondContact CA-O 3.24Å; E553-K556 PolarHBondContact N-O 2.92Å; E553-K556 PolarHBondContact O-N 3.4Å; E553-K556 VanDerWaalsContact O-O 3.13Å; E554-K556 VanDerWaalsContact C-N 3.28Å; E554-K556 PolarHBondContact O-N 3.24Å; K556-V558 PolarHBondContact O-N 3.47Å
557I88.4Confident89Confident45 Ų4550.9 Ų50.923%0.23126%0.26CS..EExtended strand (participates in β ladder)trans-81.3120.6173.6-57.1172.8000108L488 M492 C532 L535 V551L488-I557 HydrophobicContact CD1-CD1 3.68Å; L488-I557 HydrophobicContact CD1-CG1 3.89Å; L488-I557 HydrophobicContact CD1-CG2 4.05Å; M492-I557 HydrophobicContact CE-CD1 3.78Å; M492-I557 HydrophobicContact CE-CG2 4.48Å; M492-I557 HydrophobicContact SD-CD1 4.2Å; C532-I557 HydrophobicContact CB-CD1 4.24Å; L535-I557 HydrophobicContact CD2-CG2 4.15Å; V551-I557 WeakPolarHBondContact O-CA 3.37Å
558V90.2Very high88.9Confident46 Ų4651 Ų5128%0.27926%0.261SS..EExtended strand (participates in β ladder)trans-117.1137.6179-177.10000109.1V551 E553 K556 K560V551-V558 HydrophobicContact CG2-CB 4.39Å; V551-V558 PolarHBondContact N-O 3.39Å; V551-V558 PolarHBondContact O-N 2.88Å; E553-V558 HydrophobicContact CB-CG2 4.13Å; K556-V558 PolarHBondContact O-N 3.47Å; V558-K560 HydrophobicContact CG1-CD 4.4Å
559A92Very high88.7Confident14 Ų1456.2 Ų56.212%0.11629%0.289CS..EExtended strand (participates in β ladder)trans-93.2118.1172.700000109.7L535 L537 I548 L550L535-A559 HydrophobicContact CB-CB 4.24Å; L535-A559 HydrophobicContact CD2-CB 4.27Å; L537-A559 HydrophobicContact CD2-CB 3.59Å; I548-A559 HydrophobicContact CG2-CB 3.68Å; L550-A559 HydrophobicContact CD2-CB 4.28Å
560K91.8Very high88.7Confident67 Ų6756.9 Ų56.929%0.29129%0.293SS..EExtended strand (participates in β ladder)trans-99.7115.7170.9-59.5-68.1-177.8-178.80108.3L411 I548 V549 V551 E553 V558L411-K560 HydrophobicContact CD1-CG 4.18Å; I548-K560 CarbonylContact C-O 3.58Å; I548-K560 WeakPolarHBondContact CA-O 3.41Å; V549-K560 PolarHBondContact N-O 3.4Å; V549-K560 PolarHBondContact O-N 3.27Å; V551-K560 HydrophobicContact CG2-CG 3.94Å; E553-K560 VanDerWaalsContact CD-CE 3.5Å; E553-K560 VanDerWaalsContact CD-NZ 3.34Å; E553-K560 WeakPolarHBondContact OE1-CE 3.42Å; E553-K560 IonicContact OE1-NZ 2.9Å; E553-K560 PolarHBondContact OE1-NZ 3.49Å; E553-K560 WeakPolarHBondContact OE2-CE 3.25Å; E553-K560 IonicContact OE2-NZ 3.47Å; E553-K560 PolarHBondContact OE2-NZ 2.88Å; V558-K560 HydrophobicContact CG1-CD 4.4Å
561K91.7Very high88.8Confident75 Ų7559.4 Ų59.433%0.32631%0.305SS..EExtended strand (participates in β ladder)trans-86125-178.7-177.7175.571.7-173.60109.9L537 L539 L540 Y546L537-K561 WeakPolarHBondContact O-CD 3.45Å; L537-K561 PolarHBondContact O-NZ 3.09Å; L539-K561 PolarHBondContact O-NZ 3.3Å; L540-K561 HydrophobicContact CD2-CD 3.95Å; Y546-K561 HydrophobicContact CD1-CD 3.61Å; Y546-K561 HydrophobicContact CD1-CG 3.67Å; Y546-K561 HydrophobicContact CE1-CD 3.85Å; Y546-K561 HydrophobicContact CE1-CG 4.32Å; Y546-K561 HydrophobicContact CG-CD 4.18Å; Y546-K561 HydrophobicContact CG-CG 4.26Å
562M89.1Confident89Confident3 Ų358.5 Ų58.52%0.01530%0.299CS..EExtended strand (participates in β ladder)trans-109.8143.5169.4-57.4176.9169.300110.2F387 L389 L411 D413 Y546 S547 V549F387-M562 HydrophobicContact CD1-CE 4.37Å; F387-M562 HydrophobicContact CD1-SD 3.49Å; F387-M562 WeakPolarHBondContact CD1-SD 3.4Å; F387-M562 HydrophobicContact CE1-CB 4.39Å; F387-M562 HydrophobicContact CE1-SD 3.45Å; F387-M562 WeakPolarHBondContact CE1-SD 3.45Å; F387-M562 HydrophobicContact CG-SD 4.15Å; F387-M562 HydrophobicContact CZ-SD 4.12Å; L389-M562 HydrophobicContact CD2-CE 4.38Å; L411-M562 HydrophobicContact CB-CE 4.45Å; L411-M562 HydrophobicContact CD2-CE 3.75Å; D413-M562 WeakPolarHBondContact OD1-CA 3.45Å; D413-M562 WeakPolarHBondContact OD1-CB 3.49Å; D413-M562 WeakPolarHBondContact OD1-CG 3.43Å; Y546-M562 CarbonylContact C-O 3.36Å; Y546-M562 VanDerWaalsContact CA-O 3.24Å; Y546-M562 WeakPolarHBondContact CA-O 3.2Å; S547-M562 PolarHBondContact N-O 3.48Å; S547-M562 WeakPolarHBondContact O-CA 3.38Å; S547-M562 WeakPolarHBondContact O-CB 3.34Å; S547-M562 PolarHBondContact O-N 2.88Å; V549-M562 HydrophobicContact CG2-CE 3.84Å; V549-M562 HydrophobicContact CG2-CG 4.46Å; V549-M562 HydrophobicContact CG2-SD 3.76Å
563E88.8Confident89.3Confident74 Ų7453.9 Ų53.935%0.34628%0.282SS..EExtended strand (participates in β ladder)trans-105.793.5-178.4-170.1173.5-175.200110.4Y546 V565 K566 A567Y546-E563 HydrophobicContact CD1-CB 4.28Å; Y546-E563 HydrophobicContact CD1-CG 4.36Å; Y546-E563 HydrophobicContact CE1-CB 4.23Å; Y546-E563 HydrophobicContact CE1-CG 3.99Å; E563-V565 WeakPolarHBondContact CG-O 3.47Å; E563-K566 WeakPolarHBondContact OE1-CA 3.38Å; E563-A567 PolarHBondContact OE1-N 3.22Å
564D87.4Confident89.8Confident11 Ų1157.9 Ų57.96%0.05929%0.294CS..EExtended strand (participates in β ladder)trans-68.1-42.9179.9-56.9-31.2000111.1Q385 F387 R483 S545 S547Q385-D564 PolarHBondContact NE2-OD1 3.38Å; F387-D564 VanDerWaalsContact CZ-OD1 3.31Å; F387-D564 WeakPolarHBondContact CZ-OD1 3.36Å; R483-D564 IonicContact CZ-OD2 2.92Å; R483-D564 IonicContact NE-OD2 3.17Å; R483-D564 PolarHBondContact NE-OD2 3.42Å; R483-D564 IonicContact NH2-OD1 2.67Å; R483-D564 IonicContact NH2-OD2 3.65Å; R483-D564 PolarHBondContact NH2-OD2 3.42Å; R483-D564 VanDerWaalsContact NH2-OD2 3.14Å; S545-D564 PolarHBondContact O-N 3.11Å; S547-D564 WeakPolarHBondContact CB-OD1 3.38Å; S547-D564 PolarHBondContact N-OD2 3.08Å; S547-D564 PolarHBondContact OG-OD1 3.12Å; S547-D564 VanDerWaalsContact OG-OD1 3.1Å; S547-D564 PolarHBondContact OG-OD2 2.87Å
565V87.9Confident90.4Very high2 Ų248.2 Ų48.21%0.01225%0.249CC..EExtended strand (participates in β ladder)trans-126.3128.1177.6179.40000107.8V374 I472 K474 A544 S545 E563V374-V565 HydrophobicContact CG2-CG2 4.19Å; I472-V565 HydrophobicContact CB-CG2 4.35Å; K474-V565 HydrophobicContact CD-CG1 4.43Å; K474-V565 HydrophobicContact CG-CG1 4.05Å; A544-V565 WeakPolarHBondContact CA-O 3.31Å; A544-V565 WeakPolarHBondContact CB-O 3.43Å; S545-V565 PolarHBondContact N-O 3.04Å; S545-V565 PolarHBondContact O-N 3.33Å; E563-V565 WeakPolarHBondContact CG-O 3.47Å
566K90.2Very high91.2Very high121 Ų12148.9 Ų48.953%0.52624%0.237SC..PPolyproline II helixtrans-64.8144.8-175.2-70.5-179.9-178.8170.70112.5K474 E563K474-K566 PolarHBondContact NZ-O 3.48Å; E563-K566 WeakPolarHBondContact OE1-CA 3.38Å
567A89.9Confident91.8Very high19 Ų1946.7 Ų46.716%0.15723%0.234CC..PPolyproline II helixtrans-58.7149.9171.100000112.7D541 F542 A544 E563 N569D541-A567 HydrophobicContact CB-CB 3.9Å; F542-A567 CarbonylContact O-C 3.56Å; F542-A567 WeakPolarHBondContact O-CA 3.31Å; A544-A567 HydrophobicContact CB-CB 4.04Å; E563-A567 PolarHBondContact OE1-N 3.22Å; A567-N569 PolarHBondContact O-N 2.94Å
568N89.8Confident92.2Very high2 Ų244.6 Ų44.61%0.01122%0.223CC..PPolyproline II helixtrans-66.2118.7173.8-64.8-14.1000109.2R296 M297 N298 K474 F542R296-N568 VanDerWaalsContact C-ND2 3.26Å; R296-N568 PolarHBondContact O-ND2 3.49Å; R296-N568 PolarHBondContact O-OD1 3.42Å; M297-N568 PolarHBondContact O-ND2 3.43Å; N298-N568 HydrophobicContact CB-CB 4.45Å; K474-N568 WeakPolarHBondContact CD-OD1 3.48Å; K474-N568 PolarHBondContact NZ-OD1 2.89Å; F542-N568 HydrophobicContact CB-CB 4.46Å; F542-N568 PolarHBondContact O-N 2.88Å
569N88.9Confident92.5Very high110 Ų11042.4 Ų42.459%0.58821%0.21SC*.  trans-104-18.2-177.264.2-8.4000113.9T372 A567T372-N569 WeakPolarHBondContact CG2-OD1 3.25Å; A567-N569 PolarHBondContact O-N 2.94Å
570V92.7Very high92.8Very high18 Ų1842.9 Ų42.911%0.10921%0.214CC..SBendtrans-85.9115.3178.6-173.10000109.7M297 N298 V365 N368 V369 W574M297-V570 CarbonylContact C-O 3.55Å; M297-V570 WeakPolarHBondContact CA-O 3.41Å; M297-V570 WeakPolarHBondContact CB-O 3.42Å; M297-V570 HydrophobicContact CE-CB 4.38Å; M297-V570 HydrophobicContact CE-CG1 3.62Å; N298-V570 PolarHBondContact N-O 3.14Å; V365-V570 HydrophobicContact CG1-CG1 4.46Å; N368-V570 HydrophobicContact CB-CG2 3.81Å; V369-V570 HydrophobicContact CG2-CB 4Å; V369-V570 HydrophobicContact CG2-CG1 4.24Å; V369-V570 HydrophobicContact CG2-CG2 4.11Å; V570-W574 HydrophobicContact CG1-CB 4.26Å; V570-W574 HydrophobicContact CG1-CG 4.36Å
571H93.6Very high93.1Very high54 Ų5442 Ų4225%0.2521%0.212CC..BIsolated β-bridgetrans-67.2135.8178.9-170.9-80.7000112.6M297 A300 F301 A573 W574M297-H571 VanDerWaalsContact CE-O 3.27Å; M297-H571 WeakPolarHBondContact CE-O 3.47Å; A300-H571 PolarHBondContact O-CD2 3.11Å; A300-H571 PolarHBondContact O-NE2 3.01Å; F301-H571 AromaticContact CD1-CE1 3.98Å; F301-H571 AromaticContact CE1-CE1 3.67Å; F301-H571 AromaticContact CE2-CE1 3.76Å; F301-H571 AromaticContact CZ-CE1 3.56Å; H571-A573 WeakPolarHBondContact ND1-CB 3.45Å; H571-A573 PolarHBondContact ND1-N 3.03Å; H571-A573 PolarHBondContact O-N 2.76Å; H571-A573 VanDerWaalsContact O-N 3.09Å; H571-W574 WeakPolarHBondContact O-CB 3.32Å; H571-W574 PolarHBondContact O-N 3.28Å
572I93.6Very high93.4Very high0 Ų038.5 Ų38.50%020%0.196CC..G310 helixtrans-55.9-29.6-176.5-167.9170.4000114.1A294 M297 N298 L299 F301 I307 M312 W574 Q575A294-I572 HydrophobicContact CB-CD1 4.12Å; A294-I572 HydrophobicContact CB-CG1 4.45Å; M297-I572 HydrophobicContact CB-CB 4.28Å; M297-I572 HydrophobicContact SD-CG1 4.49Å; N298-I572 WeakPolarHBondContact O-CB 3.48Å; N298-I572 WeakPolarHBondContact O-CG2 3.37Å; N298-I572 PolarHBondContact O-N 2.72Å; L299-I572 HydrophobicContact CD2-CD1 3.74Å; F301-I572 HydrophobicContact CD2-CG2 4.35Å; F301-I572 HydrophobicContact CE2-CG2 3.46Å; F301-I572 VanDerWaalsContact CE2-CG2 3.46Å; F301-I572 HydrophobicContact CZ-CG2 4.09Å; I307-I572 HydrophobicContact CG2-CD1 4.44Å; M312-I572 HydrophobicContact CE-CG1 4.01Å; M312-I572 HydrophobicContact CG-CD1 3.52Å; M312-I572 HydrophobicContact CG-CG1 3.9Å; M312-I572 HydrophobicContact SD-CD1 3.77Å; M312-I572 HydrophobicContact SD-CG1 3.83Å; I572-W574 PolarHBondContact O-N 2.87Å; I572-Q575 WeakPolarHBondContact O-CB 3.34Å; I572-Q575 PolarHBondContact O-N 3.31Å
573A94.7Very high93.8Very high27 Ų2738.3 Ų38.322%0.22320%0.196CC..G310 helixtrans-56-19.817400000114.3F301 H571 Q575 I576F301-A573 HydrophobicContact CE1-CB 4.4Å; F301-A573 HydrophobicContact CZ-CB 4.14Å; H571-A573 WeakPolarHBondContact ND1-CB 3.45Å; H571-A573 PolarHBondContact ND1-N 3.03Å; H571-A573 PolarHBondContact O-N 2.76Å; H571-A573 VanDerWaalsContact O-N 3.09Å; A573-Q575 PolarHBondContact O-N 3.04Å; A573-Q575 VanDerWaalsContact O-N 3.16Å; A573-I576 HydrophobicContact CB-CD1 3.96Å; A573-I576 VanDerWaalsContact O-CB 3.29Å; A573-I576 WeakPolarHBondContact O-CB 3.48Å; A573-I576 VanDerWaalsContact O-CG1 3.3Å; A573-I576 WeakPolarHBondContact O-CG1 3.32Å; A573-I576 PolarHBondContact O-N 2.98Å
574W96Very high94.2Very high160 Ų16035.2 Ų35.261%0.60618%0.182SC*.G310 helixtrans-64.9-10.6171.7-79.6108.4000114.1M297 V365 V570 H571 I572 P577M297-W574 HydrophobicContact CE-CB 4.1Å; V365-W574 HydrophobicContact CG2-CB 4.16Å; V365-W574 WeakPolarHBondContact CG2-O 3.38Å; V570-W574 HydrophobicContact CG1-CB 4.26Å; V570-W574 HydrophobicContact CG1-CG 4.36Å; H571-W574 WeakPolarHBondContact O-CB 3.32Å; H571-W574 PolarHBondContact O-N 3.28Å; I572-W574 PolarHBondContact O-N 2.87Å; W574-P577 WeakPolarHBondContact O-CD 3.31Å
575Q96.2Very high94.7Very high0 Ų034.7 Ų34.70%018%0.179CC..G310 helixtrans-80.2-14.7167.7-63.5-171.2-45.300113.4W290 M297 M312 I572 A573 Q578 Y579W290-Q575 PolarHBondContact O-NE2 3.34Å; M297-Q575 HydrophobicContact CE-CG 4.05Å; M297-Q575 HydrophobicContact SD-CG 3.64Å; M312-Q575 HydrophobicContact CE-CB 3.82Å; I572-Q575 WeakPolarHBondContact O-CB 3.34Å; I572-Q575 PolarHBondContact O-N 3.31Å; A573-Q575 PolarHBondContact O-N 3.04Å; A573-Q575 VanDerWaalsContact O-N 3.16Å; Q575-Q578 HydrophobicContact CB-CG 4.19Å; Q575-Q578 WeakPolarHBondContact O-CG 3.37Å; Q575-Q578 PolarHBondContact O-N 3.1Å; Q575-Y579 HydrophobicContact CB-CD2 4.12Å; Q575-Y579 HydrophobicContact CB-CE2 4.21Å; Q575-Y579 VanDerWaalsContact O-CD2 3.32Å; Q575-Y579 WeakPolarHBondContact O-CD2 3.49Å; Q575-Y579 PolarHBondContact O-N 3.48Å; Q575-Y579 VanDerWaalsContact O-N 3.07Å
576I96.6Very high95Very high75 Ų7535.8 Ų35.839%0.38519%0.185SC..Hα-helixtrans-57.5-44.9-179.9-65169.6000111.9L315 A573 Q578 Y579 A580L315-I576 HydrophobicContact CD1-CG1 3.92Å; A573-I576 HydrophobicContact CB-CD1 3.96Å; A573-I576 VanDerWaalsContact O-CB 3.29Å; A573-I576 WeakPolarHBondContact O-CB 3.48Å; A573-I576 VanDerWaalsContact O-CG1 3.3Å; A573-I576 WeakPolarHBondContact O-CG1 3.32Å; A573-I576 PolarHBondContact O-N 2.98Å; I576-Q578 PolarHBondContact O-N 3.05Å; I576-Y579 PolarHBondContact O-N 3.46Å; I576-A580 WeakPolarHBondContact O-CB 3.14Å; I576-A580 PolarHBondContact O-N 3.34Å
577P97.6Very high95.2Very high58 Ų5830.3 Ų30.338%0.37716%0.161SC..Hα-helixtrans-58.9-43.4176.9-26.736000114.4W574 A580 L581W574-P577 WeakPolarHBondContact O-CD 3.31Å; P577-A580 PolarHBondContact O-N 2.84Å; P577-L581 WeakPolarHBondContact O-CB 3.31Å; P577-L581 VanDerWaalsContact O-CG 3.29Å; P577-L581 WeakPolarHBondContact O-CG 3.38Å; P577-L581 PolarHBondContact O-N 3.49Å
578Q97.4Very high95.4Very high1 Ų130 Ų301%0.00516%0.157CC..Hα-helixtrans-66.9-40.717859.8-172.371.200111.4W290 Q293 A358 A361 A362 Q575 I576 L582W290-Q578 HydrophobicContact CE3-CG 4.24Å; W290-Q578 HydrophobicContact CH2-CB 3.75Å; W290-Q578 HydrophobicContact CH2-CG 3.88Å; W290-Q578 WeakPolarHBondContact CH2-O 3.25Å; W290-Q578 HydrophobicContact CZ2-CB 4.12Å; W290-Q578 HydrophobicContact CZ2-CG 4.32Å; W290-Q578 HydrophobicContact CZ3-CB 4.21Å; W290-Q578 HydrophobicContact CZ3-CG 3.84Å; Q293-Q578 VanDerWaalsContact OE1-NE2 3.14Å; A358-Q578 WeakPolarHBondContact CB-O 3.36Å; A358-Q578 WeakPolarHBondContact O-CB 3.37Å; A361-Q578 HydrophobicContact CB-CB 4.12Å; A362-Q578 VanDerWaalsContact CA-OE1 3.23Å; A362-Q578 HydrophobicContact CB-CB 4.35Å; Q575-Q578 HydrophobicContact CB-CG 4.19Å; Q575-Q578 WeakPolarHBondContact O-CG 3.37Å; Q575-Q578 PolarHBondContact O-N 3.1Å; I576-Q578 PolarHBondContact O-N 3.05Å; Q578-L582 VanDerWaalsContact O-CB 3.29Å; Q578-L582 WeakPolarHBondContact O-CB 3.27Å; Q578-L582 PolarHBondContact O-N 3.07Å
579Y97.4Very high95.7Very high0 Ų029.9 Ų29.90%016%0.156CC..Hα-helixtrans-61.9-47.1172.7-85.1-80.2000111.4Q286 W290 M312 L315 N316 Q575 I576 L581 L582 T583Q286-Y579 HydrophobicContact CB-CE1 4.12Å; Q286-Y579 HydrophobicContact CG-CE1 3.96Å; Q286-Y579 PolarHBondContact O-OH 3.33Å; Q286-Y579 VanDerWaalsContact OE1-CD1 3.27Å; W290-Y579 HydrophobicContact CE3-CD1 4.21Å; W290-Y579 AromaticContact CE3-CD2 3.97Å; W290-Y579 HydrophobicContact CE3-CD2 3.97Å; W290-Y579 AromaticContact CE3-CE1 3.89Å; W290-Y579 HydrophobicContact CE3-CE1 3.89Å; W290-Y579 AromaticContact CE3-CE2 3.61Å; W290-Y579 HydrophobicContact CE3-CE2 3.61Å; W290-Y579 HydrophobicContact CE3-CG 4.25Å; W290-Y579 AromaticContact CE3-CZ 3.57Å; W290-Y579 AromaticContact CZ3-CD1 3.83Å; W290-Y579 HydrophobicContact CZ3-CD1 3.83Å; W290-Y579 AromaticContact CZ3-CD2 3.87Å; W290-Y579 HydrophobicContact CZ3-CD2 3.87Å; W290-Y579 AromaticContact CZ3-CE1 3.98Å; W290-Y579 HydrophobicContact CZ3-CE1 3.98Å; W290-Y579 AromaticContact CZ3-CE2 4Å; W290-Y579 HydrophobicContact CZ3-CE2 4Å; W290-Y579 AromaticContact CZ3-CG 3.78Å; W290-Y579 HydrophobicContact CZ3-CG 3.78Å; M312-Y579 HydrophobicContact CB-CE2 3.9Å; L315-Y579 HydrophobicContact CB-CD1 4.19Å; L315-Y579 HydrophobicContact CB-CG 4.09Å; L315-Y579 HydrophobicContact CD1-CD2 3.98Å; L315-Y579 HydrophobicContact CD1-CG 4.18Å; N316-Y579 HydrophobicContact CB-CD1 4.4Å; Q575-Y579 HydrophobicContact CB-CD2 4.12Å; Q575-Y579 HydrophobicContact CB-CE2 4.21Å; Q575-Y579 VanDerWaalsContact O-CD2 3.32Å; Q575-Y579 WeakPolarHBondContact O-CD2 3.49Å; Q575-Y579 PolarHBondContact O-N 3.48Å; Q575-Y579 VanDerWaalsContact O-N 3.07Å; I576-Y579 PolarHBondContact O-N 3.46Å; Y579-L581 PolarHBondContact O-N 2.86Å; Y579-L582 PolarHBondContact O-N 2.97Å; Y579-T583 WeakPolarHBondContact O-CB 3.35Å; Y579-T583 PolarHBondContact O-N 2.88Å; Y579-T583 PolarHBondContact O-OG1 3.45Å
580A97.9Very high95.8Very high24 Ų2425.2 Ų25.220%0.19813%0.132CC..Hα-helixtrans-59.5-45.9178.400000112.7L319 F323 I576 P577 A584L319-A580 HydrophobicContact CD1-CB 4.33Å; F323-A580 HydrophobicContact CE2-CB 4.34Å; F323-A580 WeakPolarHBondContact CE2-O 3.36Å; F323-A580 HydrophobicContact CZ-CB 4.16Å; I576-A580 WeakPolarHBondContact O-CB 3.14Å; I576-A580 PolarHBondContact O-N 3.34Å; P577-A580 PolarHBondContact O-N 2.84Å; A580-A584 VanDerWaalsContact O-CB 3.28Å; A580-A584 WeakPolarHBondContact O-CB 3.34Å; A580-A584 PolarHBondContact O-N 2.98Å
581L98.3Very high95.6Very high49 Ų4927.2 Ų27.226%0.25714%0.142SC..Hα-helixtrans-63.8-42.9177-71.1169.5000111.5F354 L357 A358 A361 P577 Y579 A584 G585F354-L581 HydrophobicContact CD1-CD2 3.79Å; F354-L581 HydrophobicContact CE1-CD2 4.16Å; L357-L581 HydrophobicContact CB-CD1 4.24Å; A358-L581 HydrophobicContact CB-CB 3.66Å; A361-L581 HydrophobicContact CB-CD1 4.3Å; P577-L581 WeakPolarHBondContact O-CB 3.31Å; P577-L581 VanDerWaalsContact O-CG 3.29Å; P577-L581 WeakPolarHBondContact O-CG 3.38Å; P577-L581 PolarHBondContact O-N 3.49Å; Y579-L581 PolarHBondContact O-N 2.86Å; L581-A584 PolarHBondContact O-N 3.46Å; L581-G585 PolarHBondContact O-N 3.24Å
582L97.8Very high95.3Very high0 Ų025 Ų250%013%0.131CC..Hα-helixtrans-67.8-42.4-179.4-172.461000112F283 Q286 W290 A355 A358 Q578 Y579 G585 E586F283-L582 HydrophobicContact CD2-CD1 4.36Å; F283-L582 HydrophobicContact CD2-CD2 4.38Å; F283-L582 HydrophobicContact CD2-CG 4.12Å; Q286-L582 HydrophobicContact CG-CD2 3.46Å; Q286-L582 VanDerWaalsContact CG-CD2 3.46Å; Q286-L582 VanDerWaalsContact NE2-CD2 3.29Å; W290-L582 HydrophobicContact CH2-CB 3.92Å; W290-L582 HydrophobicContact CH2-CD2 3.38Å; W290-L582 HydrophobicContact CH2-CG 4.29Å; W290-L582 HydrophobicContact CZ2-CD2 3.91Å; W290-L582 HydrophobicContact CZ3-CD2 3.86Å; A355-L582 HydrophobicContact CB-CD1 3.76Å; A358-L582 HydrophobicContact CB-CB 3.81Å; Q578-L582 VanDerWaalsContact O-CB 3.29Å; Q578-L582 WeakPolarHBondContact O-CB 3.27Å; Q578-L582 PolarHBondContact O-N 3.07Å; Y579-L582 PolarHBondContact O-N 2.97Å; L582-G585 CarbonylContact O-C 3.57Å; L582-G585 WeakPolarHBondContact O-CA 3.43Å; L582-G585 PolarHBondContact O-N 2.93Å; L582-E586 PolarHBondContact O-N 3.15Å
583T96.8Very high95.1Very high0 Ų025 Ų250%013%0.131CC..Hα-helixtrans-66.8-39.9176.4-530000111.9N316 L319 I320 F323 Y579 G585 E586 V587N316-T583 PolarHBondContact OD1-OG1 3.3Å; L319-T583 HydrophobicContact CB-CG2 3.71Å; I320-T583 HydrophobicContact CB-CG2 4.34Å; I320-T583 HydrophobicContact CG1-CG2 3.52Å; F323-T583 HydrophobicContact CD2-CG2 3.98Å; F323-T583 HydrophobicContact CE2-CG2 4.5Å; Y579-T583 WeakPolarHBondContact O-CB 3.35Å; Y579-T583 PolarHBondContact O-N 2.88Å; Y579-T583 PolarHBondContact O-OG1 3.45Å; T583-G585 VanDerWaalsContact C-N 3.27Å; T583-G585 PolarHBondContact O-N 2.94Å; T583-E586 WeakPolarHBondContact O-CB 3.48Å; T583-E586 PolarHBondContact O-N 3.31Å; T583-V587 WeakPolarHBondContact O-CG2 3.49Å; T583-V587 PolarHBondContact O-N 3.17Å
584A97.3Very high94.6Very high8 Ų826.4 Ų26.47%0.06614%0.135CC..Hα-helixtrans-59.7-42.2171.200000110.9F323 F327 F354 A580 L581 E586 V587 M588F323-A584 HydrophobicContact CD2-CB 4.16Å; F323-A584 HydrophobicContact CE2-CB 4.15Å; F327-A584 HydrophobicContact CE2-CB 4.07Å; F327-A584 HydrophobicContact CZ-CB 3.92Å; F354-A584 HydrophobicContact CD1-CB 4.42Å; A580-A584 VanDerWaalsContact O-CB 3.28Å; A580-A584 WeakPolarHBondContact O-CB 3.34Å; A580-A584 PolarHBondContact O-N 2.98Å; L581-A584 PolarHBondContact O-N 3.46Å; A584-E586 PolarHBondContact O-N 3.04Å; A584-V587 PolarHBondContact O-N 3.45Å; A584-M588 WeakPolarHBondContact O-CG 3.42Å; A584-M588 PolarHBondContact O-N 3.27Å; A584-M588 VanDerWaalsContact O-N 3.16Å
585G97.3Very high94Very high0 Ų025 Ų250%014%0.135CC..Hα-helixtrans-57.7-45171.800000112.9G351 L581 L582 T583 M588 F589G351-G585 WeakPolarHBondContact O-CA 3.24Å; L581-G585 PolarHBondContact O-N 3.24Å; L582-G585 CarbonylContact O-C 3.57Å; L582-G585 WeakPolarHBondContact O-CA 3.43Å; L582-G585 PolarHBondContact O-N 2.93Å; T583-G585 VanDerWaalsContact C-N 3.27Å; T583-G585 PolarHBondContact O-N 2.94Å; G585-M588 PolarHBondContact O-N 3.16Å; G585-F589 WeakPolarHBondContact O-CB 3.46Å; G585-F589 PolarHBondContact O-N 2.92Å
586E95.3Very high93.6Very high26 Ų2625.2 Ų25.212%0.12114%0.136CC..Hα-helixtrans-61-46.4176.9-176.1-174.1-175.100112.2F279 F283 N316 I320 L582 T583 A584 M588 F589 S590 I591F279-E586 HydrophobicContact CZ-CB 4.45Å; F283-E586 HydrophobicContact CD2-CB 4.39Å; F283-E586 HydrophobicContact CE2-CB 3.95Å; F283-E586 HydrophobicContact CE2-CG 3.85Å; F283-E586 WeakPolarHBondContact CE2-OE2 3.49Å; F283-E586 HydrophobicContact CZ-CG 4.27Å; F283-E586 WeakPolarHBondContact CZ-OE1 3.44Å; F283-E586 WeakPolarHBondContact CZ-OE2 3.37Å; N316-E586 PolarHBondContact ND2-OE2 3.4Å; N316-E586 PolarHBondContact OD1-OE2 3.43Å; I320-E586 VanDerWaalsContact CD1-OE2 3.28Å; I320-E586 WeakPolarHBondContact CD1-OE2 3.19Å; L582-E586 PolarHBondContact O-N 3.15Å; T583-E586 WeakPolarHBondContact O-CB 3.48Å; T583-E586 PolarHBondContact O-N 3.31Å; A584-E586 PolarHBondContact O-N 3.04Å; E586-M588 VanDerWaalsContact C-N 3.28Å; E586-M588 PolarHBondContact O-N 3.42Å; E586-F589 PolarHBondContact O-N 3.32Å; E586-S590 WeakPolarHBondContact O-CA 3.42Å; E586-S590 VanDerWaalsContact O-CB 3.25Å; E586-S590 WeakPolarHBondContact O-CB 3.34Å; E586-S590 PolarHBondContact O-N 3.01Å; E586-I591 PolarHBondContact O-N 3.3Å
587V94.1Very high93.1Very high5 Ų521.7 Ų21.73%0.0312%0.118CC..Iπ-helixtrans-59.1-43.6177.8170.60000110.5F323 V324 F327 T583 A584 I591F323-V587 HydrophobicContact CB-CG2 4.06Å; V324-V587 HydrophobicContact CG2-CG1 4.38Å; V324-V587 HydrophobicContact CG2-CG2 3.96Å; F327-V587 HydrophobicContact CB-CG1 4.05Å; F327-V587 HydrophobicContact CD2-CG1 4.16Å; F327-V587 HydrophobicContact CG-CG1 4.06Å; T583-V587 WeakPolarHBondContact O-CG2 3.49Å; T583-V587 PolarHBondContact O-N 3.17Å; A584-V587 PolarHBondContact O-N 3.45Å; V587-I591 HydrophobicContact CB-CD1 4.38Å; V587-I591 HydrophobicContact CG1-CD1 4.33Å; V587-I591 HydrophobicContact CG2-CD1 4.17Å
588M95.1Very high92.1Very high13 Ų1325 Ų256%0.06412%0.124CC..Iπ-helixtrans-74.6-33.9-179.8-64.7-172.277.300113.6F327 K347 T350 F354 A584 G585 E586 T592F327-M588 HydrophobicContact CD1-CG 4.07Å; F327-M588 HydrophobicContact CD1-SD 4.45Å; F327-M588 HydrophobicContact CE1-CG 3.69Å; F327-M588 HydrophobicContact CE1-SD 3.65Å; F327-M588 HydrophobicContact CZ-CG 4.36Å; F327-M588 HydrophobicContact CZ-SD 4.33Å; K347-M588 CarbonylContact C-O 3.54Å; K347-M588 HydrophobicContact CB-CE 4.41Å; T350-M588 HydrophobicContact CG2-CE 3.54Å; T350-M588 HydrophobicContact CG2-SD 3.92Å; F354-M588 HydrophobicContact CD2-SD 3.74Å; F354-M588 HydrophobicContact CE2-SD 3.66Å; A584-M588 WeakPolarHBondContact O-CG 3.42Å; A584-M588 PolarHBondContact O-N 3.27Å; A584-M588 VanDerWaalsContact O-N 3.16Å; G585-M588 PolarHBondContact O-N 3.16Å; E586-M588 VanDerWaalsContact C-N 3.28Å; E586-M588 PolarHBondContact O-N 3.42Å; M588-T592 WeakPolarHBondContact O-CB 3.22Å; M588-T592 PolarHBondContact O-OG1 3Å
589F95.9Very high91.4Very high0 Ų027.6 Ų27.60%014%0.142CC..Iπ-helixtrans-91.6-57.4-175.7-179.6-88.8000113L276 F279 W280 M348 M352 G585 E586 G593 W613L276-F589 HydrophobicContact CB-CZ 3.88Å; L276-F589 HydrophobicContact CD1-CZ 4.44Å; L276-F589 HydrophobicContact CD2-CE2 3.59Å; L276-F589 HydrophobicContact CD2-CZ 3.51Å; L276-F589 HydrophobicContact CG-CZ 4.11Å; F279-F589 HydrophobicContact CB-CD1 4.23Å; F279-F589 HydrophobicContact CB-CD2 4.4Å; F279-F589 HydrophobicContact CB-CE1 3.7Å; F279-F589 HydrophobicContact CB-CE2 3.87Å; F279-F589 HydrophobicContact CB-CZ 3.46Å; F279-F589 VanDerWaalsContact CB-CZ 3.46Å; F279-F589 AromaticContact CD1-CD1 3.25Å; F279-F589 HydrophobicContact CD1-CD1 3.25Å; F279-F589 AromaticContact CD1-CE1 3.31Å; F279-F589 HydrophobicContact CD1-CE1 3.31Å; F279-F589 AromaticContact CD1-CG 3.95Å; F279-F589 HydrophobicContact CD1-CG 3.95Å; F279-F589 HydrophobicContact CD1-CZ 4.03Å; F279-F589 HydrophobicContact CD2-CB 4.15Å; F279-F589 AromaticContact CD2-CD1 3.94Å; F279-F589 HydrophobicContact CD2-CD1 3.94Å; F279-F589 AromaticContact CD2-CD2 3.93Å; F279-F589 HydrophobicContact CD2-CD2 3.93Å; F279-F589 HydrophobicContact CD2-CE1 4.27Å; F279-F589 HydrophobicContact CD2-CE2 4.24Å; F279-F589 AromaticContact CD2-CG 3.74Å; F279-F589 HydrophobicContact CD2-CG 3.74Å; F279-F589 HydrophobicContact CD2-CZ 4.39Å; F279-F589 HydrophobicContact CE1-CB 4.28Å; F279-F589 AromaticContact CE1-CD1 3.47Å; F279-F589 HydrophobicContact CE1-CD1 3.47Å; F279-F589 VanDerWaalsContact CE1-CD1 3.47Å; F279-F589 HydrophobicContact CE1-CE1 4.02Å; F279-F589 HydrophobicContact CE1-CG 4.06Å; F279-F589 HydrophobicContact CE2-CB 3.73Å; F279-F589 HydrophobicContact CE2-CD1 4.11Å; F279-F589 HydrophobicContact CE2-CD2 4.38Å; F279-F589 AromaticContact CE2-CG 3.83Å; F279-F589 HydrophobicContact CE2-CG 3.83Å; F279-F589 AromaticContact CG-CD1 3.52Å; F279-F589 HydrophobicContact CG-CD1 3.52Å; F279-F589 HydrophobicContact CG-CD2 4.05Å; F279-F589 AromaticContact CG-CE1 3.48Å; F279-F589 HydrophobicContact CG-CE1 3.48Å; F279-F589 VanDerWaalsContact CG-CE1 3.48Å; F279-F589 AromaticContact CG-CE2 4Å; F279-F589 HydrophobicContact CG-CE2 4Å; F279-F589 AromaticContact CG-CG 3.81Å; F279-F589 HydrophobicContact CG-CG 3.81Å; F279-F589 AromaticContact CG-CZ 3.7Å; F279-F589 HydrophobicContact CG-CZ 3.7Å; F279-F589 HydrophobicContact CZ-CB 3.82Å; F279-F589 AromaticContact CZ-CD1 3.9Å; F279-F589 HydrophobicContact CZ-CD1 3.9Å; F279-F589 HydrophobicContact CZ-CG 4.01Å; W280-F589 HydrophobicContact CZ2-CE1 4.3Å; M348-F589 HydrophobicContact CB-CD2 4.1Å; M348-F589 HydrophobicContact CE-CD2 4.41Å; M348-F589 HydrophobicContact CE-CE2 4.2Å; M352-F589 HydrophobicContact CG-CD2 3.75Å; M352-F589 HydrophobicContact CG-CE2 3.75Å; M352-F589 HydrophobicContact SD-CD2 4.49Å; M352-F589 HydrophobicContact SD-CE2 3.96Å; G585-F589 WeakPolarHBondContact O-CB 3.46Å; G585-F589 PolarHBondContact O-N 2.92Å; E586-F589 PolarHBondContact O-N 3.32Å; F589-G593 VanDerWaalsContact O-CA 3.29Å; F589-G593 WeakPolarHBondContact O-CA 3.37Å; F589-G593 PolarHBondContact O-N 3.1Å; F589-W613 HydrophobicContact CD1-CH2 4.45Å; F589-W613 HydrophobicContact CE1-CH2 4.13Å
590S91.3Very high90.8Very high11 Ų1128.3 Ų28.38%0.07715%0.146CC..Iπ-helixtrans-74.8-53.2-169.8179.50000111.7W280 E586 G593 L594W280-S590 WeakPolarHBondContact CH2-OG 3.41Å; E586-S590 WeakPolarHBondContact O-CA 3.42Å; E586-S590 VanDerWaalsContact O-CB 3.25Å; E586-S590 WeakPolarHBondContact O-CB 3.34Å; E586-S590 PolarHBondContact O-N 3.01Å; S590-G593 PolarHBondContact O-N 3.33Å; S590-L594 WeakPolarHBondContact O-CB 3.39Å; S590-L594 WeakPolarHBondContact O-CG 3.43Å; S590-L594 PolarHBondContact O-N 3.22Å
591I86.8Confident90Very high61 Ų6127.3 Ų27.331%0.31314%0.137SC..Iπ-helixtrans-64.4-50.3-177.3-58.1178.7000109.9V324 E586 V587 G593 L594 E595V324-I591 HydrophobicContact CG2-CD1 3.45Å; V324-I591 VanDerWaalsContact CG2-CD1 3.45Å; E586-I591 PolarHBondContact O-N 3.3Å; V587-I591 HydrophobicContact CB-CD1 4.38Å; V587-I591 HydrophobicContact CG1-CD1 4.33Å; V587-I591 HydrophobicContact CG2-CD1 4.17Å; I591-G593 VanDerWaalsContact C-N 3.32Å; I591-G593 PolarHBondContact O-N 3.01Å; I591-L594 PolarHBondContact O-N 3.29Å; I591-E595 PolarHBondContact O-N 2.96Å
592T89Confident89.1Confident6 Ų625.1 Ų25.14%0.03713%0.126CC..Hα-helixtrans-61.3-40.6175.6-52.30000111.9P344 K347 M588 E595 F596P344-T592 HydrophobicContact CB-CG2 3.68Å; K347-T592 HydrophobicContact CB-CG2 4.01Å; K347-T592 HydrophobicContact CD-CG2 3.9Å; K347-T592 HydrophobicContact CG-CG2 4.42Å; M588-T592 WeakPolarHBondContact O-CB 3.22Å; M588-T592 PolarHBondContact O-OG1 3Å; T592-E595 PolarHBondContact O-N 3.2Å; T592-F596 VanDerWaalsContact O-CB 3.29Å; T592-F596 WeakPolarHBondContact O-CB 3.41Å; T592-F596 PolarHBondContact O-N 3Å
593G89.2Confident87.9Confident0 Ų030.4 Ų30.40%015%0.154CC..Hα-helixtrans-64.4-42.9-179.600000112.1F589 S590 I591 F596 S597F589-G593 VanDerWaalsContact O-CA 3.29Å; F589-G593 WeakPolarHBondContact O-CA 3.37Å; F589-G593 PolarHBondContact O-N 3.1Å; S590-G593 PolarHBondContact O-N 3.33Å; I591-G593 VanDerWaalsContact C-N 3.32Å; I591-G593 PolarHBondContact O-N 3.01Å; G593-F596 PolarHBondContact O-N 3.29Å; G593-S597 WeakPolarHBondContact O-CB 3.34Å; G593-S597 PolarHBondContact O-N 3.28Å; G593-S597 PolarHBondContact O-OG 3.41Å
594L84.4Confident86.7Confident57 Ų5732.8 Ų32.830%0.29817%0.171SC..Hα-helixtrans-61.7-44172.8-76.8168.6000112S590 I591 S597 Y598 W613S590-L594 WeakPolarHBondContact O-CB 3.39Å; S590-L594 WeakPolarHBondContact O-CG 3.43Å; S590-L594 PolarHBondContact O-N 3.22Å; I591-L594 PolarHBondContact O-N 3.29Å; L594-S597 PolarHBondContact O-N 3.38Å; L594-Y598 WeakPolarHBondContact O-CB 3.5Å; L594-Y598 PolarHBondContact O-N 2.87Å; L594-W613 HydrophobicContact CD2-CD2 4.05Å; L594-W613 HydrophobicContact CD2-CG 3.85Å; L594-W613 HydrophobicContact CG-CD2 4.43Å; L594-W613 HydrophobicContact CG-CZ2 4.08Å
595E83.1Confident85.8Confident130 Ų13032.5 Ų32.561%0.60717%0.168SC*.Hα-helixtrans-62.5-48.7176.6-174.2-173.2-177.900111.7I591 T592 S597 Y598 S599I591-E595 PolarHBondContact O-N 2.96Å; T592-E595 PolarHBondContact O-N 3.2Å; E595-S597 VanDerWaalsContact C-N 3.3Å; E595-S597 PolarHBondContact O-N 2.87Å; E595-Y598 PolarHBondContact O-N 3.3Å; E595-S599 WeakPolarHBondContact O-CB 3.31Å; E595-S599 PolarHBondContact O-N 3.4Å
596F87.8Confident84.6Confident6 Ų634.7 Ų34.73%0.02618%0.177CC..Hα-helixtrans-55.5-48.7175.6167.8-100.6000110.7V269 L272 P344 L345 T592 G593 Y598 S599 Q600 Y660 Y662V269-F596 HydrophobicContact CG1-CE1 4.14Å; L272-F596 HydrophobicContact CD1-CE1 4.08Å; L272-F596 HydrophobicContact CD1-CZ 3.94Å; P344-F596 HydrophobicContact CB-CB 4.1Å; P344-F596 HydrophobicContact CB-CD2 4.13Å; P344-F596 HydrophobicContact CB-CG 4.46Å; L345-F596 HydrophobicContact CD2-CD1 4.31Å; L345-F596 HydrophobicContact CD2-CD2 4.34Å; L345-F596 HydrophobicContact CD2-CE1 3.95Å; L345-F596 HydrophobicContact CD2-CE2 3.98Å; L345-F596 HydrophobicContact CD2-CG 4.49Å; L345-F596 HydrophobicContact CD2-CZ 3.77Å; L345-F596 HydrophobicContact CG-CE2 4.22Å; L345-F596 HydrophobicContact CG-CZ 4.4Å; T592-F596 VanDerWaalsContact O-CB 3.29Å; T592-F596 WeakPolarHBondContact O-CB 3.41Å; T592-F596 PolarHBondContact O-N 3Å; G593-F596 PolarHBondContact O-N 3.29Å; F596-Y598 VanDerWaalsContact C-N 3.31Å; F596-Y598 PolarHBondContact O-N 2.93Å; F596-S599 PolarHBondContact O-N 2.94Å; F596-S599 VanDerWaalsContact O-N 3.11Å; F596-S599 PolarHBondContact O-OG 3.29Å; F596-Q600 HydrophobicContact CD2-CG 3.91Å; F596-Q600 HydrophobicContact CE1-CG 4.38Å; F596-Q600 HydrophobicContact CE2-CG 3.52Å; F596-Q600 HydrophobicContact CZ-CG 3.78Å; F596-Q600 WeakPolarHBondContact O-CG 3.04Å; F596-Q600 PolarHBondContact O-N 3.3Å; F596-Y660 HydrophobicContact CE2-CD1 4.49Å; F596-Y660 AromaticContact CE2-CE1 3.85Å; F596-Y660 HydrophobicContact CE2-CE1 3.85Å; F596-Y660 HydrophobicContact CZ-CD1 4.23Å; F596-Y660 AromaticContact CZ-CE1 3.55Å; F596-Y660 HydrophobicContact CZ-CE1 3.55Å; F596-Y660 HydrophobicContact CZ-CE2 4.47Å; F596-Y660 AromaticContact CZ-CZ 3.68Å; F596-Y662 HydrophobicContact CD2-CE1 4.08Å; F596-Y662 HydrophobicContact CE2-CD1 4.14Å; F596-Y662 AromaticContact CE2-CE1 3.63Å; F596-Y662 HydrophobicContact CE2-CE1 3.63Å
597S85Confident83.6Confident0 Ų036.4 Ų36.40%019%0.193CC..Hα-helixtrans-61.3-40.7-179.7-60.10000112Y273 G593 L594 E595 A601Y273-S597 WeakPolarHBondContact OH-CB 3.38Å; Y273-S597 PolarHBondContact OH-OG 3.12Å; G593-S597 WeakPolarHBondContact O-CB 3.34Å; G593-S597 PolarHBondContact O-N 3.28Å; G593-S597 PolarHBondContact O-OG 3.41Å; L594-S597 PolarHBondContact O-N 3.38Å; E595-S597 VanDerWaalsContact C-N 3.3Å; E595-S597 PolarHBondContact O-N 2.87Å; S597-A601 VanDerWaalsContact O-CB 3.29Å; S597-A601 WeakPolarHBondContact O-CB 3.46Å; S597-A601 PolarHBondContact O-N 2.9Å
598Y77.9Confident82.9Confident129 Ų12936.9 Ų36.951%0.50620%0.196SC..Hα-helixtrans-66-40.7174.4-168.9-86.5000112.1L594 E595 F596 A601 K606L594-Y598 WeakPolarHBondContact O-CB 3.5Å; L594-Y598 PolarHBondContact O-N 2.87Å; E595-Y598 PolarHBondContact O-N 3.3Å; F596-Y598 VanDerWaalsContact C-N 3.31Å; F596-Y598 PolarHBondContact O-N 2.93Å; Y598-A601 PolarHBondContact O-N 3.23Å; Y598-K606 HydrophobicContact CD2-CD 4.21Å; Y598-K606 HydrophobicContact CD2-CG 4.46Å; Y598-K606 HydrophobicContact CE1-CD 4.26Å; Y598-K606 HydrophobicContact CE2-CD 3.64Å; Y598-K606 HydrophobicContact CE2-CG 4.31Å; Y598-K606 VanDerWaalsContact CZ-NZ 3.33Å; Y598-K606 PolarHBondContact OH-NZ 3.13Å; Y598-K606 VanDerWaalsContact OH-NZ 3.11Å
599S81.7Confident82.3Confident55 Ų5536.3 Ų36.339%0.38519%0.193SC..Hα-helixtrans-71-28.8-179.277.10000113.8E595 F596 P665E595-S599 WeakPolarHBondContact O-CB 3.31Å; E595-S599 PolarHBondContact O-N 3.4Å; F596-S599 PolarHBondContact O-N 2.94Å; F596-S599 VanDerWaalsContact O-N 3.11Å; F596-S599 PolarHBondContact O-OG 3.29Å; S599-P665 WeakPolarHBondContact O-CD 3.39Å; S599-P665 VanDerWaalsContact O-CG 3.3Å; S599-P665 WeakPolarHBondContact O-CG 3.42Å
600Q85.7Confident81.6Confident15 Ų1539.1 Ų39.17%0.0721%0.206CC..THydrogen-bonded Turntrans-95.80.1180-64-60.5-79.800112.8V269 F596 Y660 V663V269-Q600 HydrophobicContact CG2-CB 3.83Å; F596-Q600 HydrophobicContact CD2-CG 3.91Å; F596-Q600 HydrophobicContact CE1-CG 4.38Å; F596-Q600 HydrophobicContact CE2-CG 3.52Å; F596-Q600 HydrophobicContact CZ-CG 3.78Å; F596-Q600 WeakPolarHBondContact O-CG 3.04Å; F596-Q600 PolarHBondContact O-N 3.3Å; Q600-Y660 PolarHBondContact OE1-OH 2.75Å; Q600-V663 PolarHBondContact NE2-O 3.09Å; Q600-V663 VanDerWaalsContact NE2-O 3.1Å; Q600-V663 PolarHBondContact OE1-O 3.24Å
601A79.8Confident81.2Confident2 Ų239.5 Ų39.52%0.01721%0.21CC..SBendtrans-89134.7178.700000112S597 Y598 K606 L609S597-A601 VanDerWaalsContact O-CB 3.29Å; S597-A601 WeakPolarHBondContact O-CB 3.46Å; S597-A601 PolarHBondContact O-N 2.9Å; Y598-A601 PolarHBondContact O-N 3.23Å; A601-K606 HydrophobicContact CB-CB 4.4Å; A601-K606 HydrophobicContact CB-CG 3.64Å; A601-L609 HydrophobicContact CB-CB 4.34Å; A601-L609 HydrophobicContact CB-CD1 3.96Å
602P81.1Confident81.3Confident4 Ų437.2 Ų37.23%0.02620%0.201CC..  trans-57.4147.5164.3-20.831.3000111.7E262 M265 V266 S604 M605 K606E262-P602 HydrophobicContact CB-CB 4.05Å; E262-P602 HydrophobicContact CB-CG 3.81Å; E262-P602 HydrophobicContact CG-CB 3.81Å; E262-P602 HydrophobicContact CG-CG 4.01Å; M265-P602 HydrophobicContact CB-CG 4.24Å; M265-P602 HydrophobicContact CE-CG 4.35Å; M265-P602 HydrophobicContact SD-CG 4.2Å; V266-P602 HydrophobicContact CG2-CG 4.29Å; P602-S604 PolarHBondContact O-N 2.94Å; P602-S604 VanDerWaalsContact O-N 3.15Å; P602-M605 HydrophobicContact CB-CB 4.38Å; P602-M605 HydrophobicContact CG-CB 4.44Å; P602-M605 PolarHBondContact O-N 3.19Å; P602-K606 PolarHBondContact O-N 3.29Å
603N71.2Confident81.4Confident111 Ų11137.2 Ų37.259%0.59420%0.2SC*.THydrogen-bonded Turntrans-55.7-35.4-178.9-75.8-30.3000113.4K606N603-K606 PolarHBondContact OD1-NZ 2.91Å; N603-K606 VanDerWaalsContact OD1-NZ 3.14Å
604S72.4Confident81.4Confident50 Ų5039.1 Ų39.135%0.3521%0.21SC..THydrogen-bonded Turntrans-73-19.8176.948.80000114.3E262 P602E262-S604 VanDerWaalsContact CD-OG 3.27Å; E262-S604 PolarHBondContact OE2-OG 2.82Å; P602-S604 PolarHBondContact O-N 2.94Å; P602-S604 VanDerWaalsContact O-N 3.15Å
605M76.9Confident81.8Confident1 Ų138.5 Ų38.51%0.00521%0.207CC..THydrogen-bonded Turntrans-124.411.6-167.2-60.3-166.7179.400114.8V223 L259 E262 I263 V266 P602 S607 V608 L609V223-M605 HydrophobicContact CG2-CE 3.81Å; V223-M605 HydrophobicContact CG2-SD 4.1Å; L259-M605 HydrophobicContact CD1-CE 3.35Å; E262-M605 HydrophobicContact CB-CE 3.92Å; E262-M605 HydrophobicContact CB-SD 4.06Å; I263-M605 HydrophobicContact CG1-CE 3.84Å; I263-M605 HydrophobicContact CG1-SD 4.25Å; V266-M605 HydrophobicContact CG2-CB 3.76Å; V266-M605 HydrophobicContact CG2-CG 4.33Å; V266-M605 HydrophobicContact CG2-SD 3.64Å; P602-M605 HydrophobicContact CB-CB 4.38Å; P602-M605 HydrophobicContact CG-CB 4.44Å; P602-M605 PolarHBondContact O-N 3.19Å; M605-S607 VanDerWaalsContact C-N 3.25Å; M605-S607 PolarHBondContact O-N 3.14Å; M605-V608 PolarHBondContact O-N 3.06Å; M605-V608 VanDerWaalsContact O-N 3.16Å; M605-L609 PolarHBondContact O-N 2.68Å
606K74.1Confident82.4Confident46 Ų4632.6 Ų32.620%0.218%0.18CC..Hα-helixtrans-54.6-40176.4-78.5169.61731750112.7Y598 A601 P602 N603 L609 Q610Y598-K606 HydrophobicContact CD2-CD 4.21Å; Y598-K606 HydrophobicContact CD2-CG 4.46Å; Y598-K606 HydrophobicContact CE1-CD 4.26Å; Y598-K606 HydrophobicContact CE2-CD 3.64Å; Y598-K606 HydrophobicContact CE2-CG 4.31Å; Y598-K606 VanDerWaalsContact CZ-NZ 3.33Å; Y598-K606 PolarHBondContact OH-NZ 3.13Å; Y598-K606 VanDerWaalsContact OH-NZ 3.11Å; A601-K606 HydrophobicContact CB-CB 4.4Å; A601-K606 HydrophobicContact CB-CG 3.64Å; P602-K606 PolarHBondContact O-N 3.29Å; N603-K606 PolarHBondContact OD1-NZ 2.91Å; N603-K606 VanDerWaalsContact OD1-NZ 3.14Å; K606-L609 PolarHBondContact O-N 3.42Å; K606-Q610 VanDerWaalsContact O-CG 3.28Å; K606-Q610 WeakPolarHBondContact O-CG 3.01Å; K606-Q610 PolarHBondContact O-N 2.96Å
607S73Confident82.8Confident63 Ų6332.6 Ų32.644%0.44118%0.18SC..Hα-helixtrans-65.8-40.517853.70000113M605 L609 Q610 A611M605-S607 VanDerWaalsContact C-N 3.25Å; M605-S607 PolarHBondContact O-N 3.14Å; S607-L609 VanDerWaalsContact C-N 3.31Å; S607-L609 PolarHBondContact O-N 3.01Å; S607-Q610 PolarHBondContact O-N 3.45Å; S607-A611 WeakPolarHBondContact O-CB 3.17Å; S607-A611 PolarHBondContact O-N 3.26Å
608V79.6Confident83.3Confident15 Ų1532.8 Ų32.89%0.09118%0.182CC..Hα-helixtrans-62-42.5177.3177.10000110.5V219 L220 V266 M605 A611 G612V219-V608 HydrophobicContact CG1-CG2 4.14Å; L220-V608 HydrophobicContact CD1-CG1 4.04Å; L220-V608 HydrophobicContact CD1-CG2 4.43Å; V266-V608 HydrophobicContact CG1-CG1 4.32Å; M605-V608 PolarHBondContact O-N 3.06Å; M605-V608 VanDerWaalsContact O-N 3.16Å; V608-A611 PolarHBondContact O-N 2.92Å; V608-G612 PolarHBondContact O-N 3.24Å
609L82.3Confident84.3Confident1 Ų131.9 Ų31.91%0.00518%0.181CC..Hα-helixtrans-71.7-37.9-177.9-142.1143.8000111.6V266 V269 Y273 A601 M605 K606 S607 G612 W613V266-L609 HydrophobicContact CB-CD1 4.32Å; V266-L609 HydrophobicContact CG1-CD1 4.16Å; V266-L609 HydrophobicContact CG2-CD1 4.11Å; V269-L609 HydrophobicContact CB-CD1 4.01Å; V269-L609 HydrophobicContact CB-CD2 4.3Å; V269-L609 HydrophobicContact CB-CG 4.49Å; V269-L609 HydrophobicContact CG1-CD1 4.27Å; V269-L609 HydrophobicContact CG1-CD2 3.67Å; V269-L609 HydrophobicContact CG1-CG 4.35Å; V269-L609 HydrophobicContact CG2-CD1 4.16Å; Y273-L609 HydrophobicContact CE2-CD2 4.18Å; Y273-L609 WeakPolarHBondContact OH-CD2 3.5Å; A601-L609 HydrophobicContact CB-CB 4.34Å; A601-L609 HydrophobicContact CB-CD1 3.96Å; M605-L609 PolarHBondContact O-N 2.68Å; K606-L609 PolarHBondContact O-N 3.42Å; S607-L609 VanDerWaalsContact C-N 3.31Å; S607-L609 PolarHBondContact O-N 3.01Å; L609-G612 PolarHBondContact O-N 2.83Å; L609-W613 PolarHBondContact O-N 3.47Å
610Q81.3Confident85Confident59 Ų5929.3 Ų29.328%0.27616%0.163SC..Hα-helixtrans-63-39.6170.1-72.7-67.4-34.400112.7K606 S607 G612 W613 L614K606-Q610 VanDerWaalsContact O-CG 3.28Å; K606-Q610 WeakPolarHBondContact O-CG 3.01Å; K606-Q610 PolarHBondContact O-N 2.96Å; S607-Q610 PolarHBondContact O-N 3.45Å; Q610-G612 VanDerWaalsContact C-N 3.33Å; Q610-W613 WeakPolarHBondContact O-CB 3.15Å; Q610-W613 PolarHBondContact O-N 2.64Å; Q610-L614 PolarHBondContact O-N 3.3Å
611A83.1Confident85.6Confident19 Ų1928.6 Ų28.616%0.15716%0.159CC..Hα-helixtrans-63.5-40.8173.300000111.6I66 S607 V608 W613 L614 L615I66-A611 HydrophobicContact CG1-CB 4.29Å; S607-A611 WeakPolarHBondContact O-CB 3.17Å; S607-A611 PolarHBondContact O-N 3.26Å; V608-A611 PolarHBondContact O-N 2.92Å; A611-W613 VanDerWaalsContact C-N 3.29Å; A611-W613 PolarHBondContact O-N 3.45Å; A611-L614 PolarHBondContact O-N 3.27Å; A611-L615 WeakPolarHBondContact O-CB 3.44Å; A611-L615 PolarHBondContact O-N 2.95Å
612G88.3Confident86.3Confident13 Ų1331.6 Ų31.613%0.13418%0.177CC..Hα-helixtrans-58.9-39171.800000112.8V608 L609 Q610 L615 T616V608-G612 PolarHBondContact O-N 3.24Å; L609-G612 PolarHBondContact O-N 2.83Å; Q610-G612 VanDerWaalsContact C-N 3.33Å; G612-L615 WeakPolarHBondContact O-CB 3.31Å; G612-L615 PolarHBondContact O-N 3.43Å; G612-T616 WeakPolarHBondContact O-CG2 3.34Å; G612-T616 PolarHBondContact O-N 3.23Å
613W90.6Very high87Confident6 Ų633.8 Ų33.82%0.02319%0.189CC..Hα-helixtrans-64.1-50.1175.8178.9-90.6000111.9Y273 L276 W280 M348 F589 L594 L609 Q610 A611 L615 T616Y273-W613 AromaticContact CE1-CE3 3.81Å; Y273-W613 HydrophobicContact CE1-CE3 3.81Å; Y273-W613 HydrophobicContact CE1-CZ3 4.2Å; Y273-W613 HydrophobicContact CE2-CB 4.01Å; Y273-W613 HydrophobicContact CE2-CE3 4.34Å; Y273-W613 AromaticContact CZ-CE3 3.69Å; L276-W613 HydrophobicContact CD1-CE3 4.17Å; L276-W613 HydrophobicContact CD1-CH2 4.48Å; L276-W613 HydrophobicContact CD1-CZ3 3.68Å; W280-W613 AromaticContact CZ2-CE2 3.92Å; W280-W613 AromaticContact CZ2-CZ2 3.67Å; W280-W613 HydrophobicContact CZ2-CZ2 3.67Å; W280-W613 AromaticContact CZ2-NE1 3.84Å; M348-W613 HydrophobicContact CE-CH2 4.31Å; M348-W613 HydrophobicContact CE-CZ3 4.16Å; F589-W613 HydrophobicContact CD1-CH2 4.45Å; F589-W613 HydrophobicContact CE1-CH2 4.13Å; L594-W613 HydrophobicContact CD2-CD2 4.05Å; L594-W613 HydrophobicContact CD2-CG 3.85Å; L594-W613 HydrophobicContact CG-CD2 4.43Å; L594-W613 HydrophobicContact CG-CZ2 4.08Å; L609-W613 PolarHBondContact O-N 3.47Å; Q610-W613 WeakPolarHBondContact O-CB 3.15Å; Q610-W613 PolarHBondContact O-N 2.64Å; A611-W613 VanDerWaalsContact C-N 3.29Å; A611-W613 PolarHBondContact O-N 3.45Å; W613-L615 PolarHBondContact O-N 3.39Å; W613-T616 WeakPolarHBondContact O-CB 3.1Å; W613-T616 PolarHBondContact O-N 3.17Å; W613-T616 PolarHBondContact O-OG1 2.96Å
614L90.4Very high88.1Confident39 Ų3928.5 Ų28.520%0.20416%0.16CC..Hα-helixtrans-60.4-34177.5-64.4174.1000112Y62 P65 Q610 A611 T616 V617 A618Y62-L614 HydrophobicContact CD1-CD2 3.98Å; Y62-L614 HydrophobicContact CE1-CD2 4.27Å; P65-L614 HydrophobicContact CB-CD1 3.79Å; P65-L614 HydrophobicContact CG-CD1 3.98Å; Q610-L614 PolarHBondContact O-N 3.3Å; A611-L614 PolarHBondContact O-N 3.27Å; L614-T616 PolarHBondContact O-N 2.97Å; L614-V617 VanDerWaalsContact O-CB 3.31Å; L614-V617 WeakPolarHBondContact O-CB 3.35Å; L614-V617 PolarHBondContact O-N 3.37Å; L614-A618 PolarHBondContact O-N 3.33Å; L614-A618 VanDerWaalsContact O-N 3.1Å
615L92.5Very high89.1Confident45 Ų4528.8 Ų28.824%0.23616%0.158CC..Hα-helixtrans-62.8-31.6174.9-17163.9000112.3F63 I66 A611 G612 W613 V617 A618 F619F63-L615 HydrophobicContact CD2-CD1 3.71Å; F63-L615 HydrophobicContact CE2-CD1 4.14Å; I66-L615 HydrophobicContact CD1-CD1 4.1Å; I66-L615 HydrophobicContact CD1-CD2 4.47Å; A611-L615 WeakPolarHBondContact O-CB 3.44Å; A611-L615 PolarHBondContact O-N 2.95Å; G612-L615 WeakPolarHBondContact O-CB 3.31Å; G612-L615 PolarHBondContact O-N 3.43Å; W613-L615 PolarHBondContact O-N 3.39Å; L615-V617 VanDerWaalsContact C-N 3.29Å; L615-V617 PolarHBondContact O-N 3.42Å; L615-A618 HydrophobicContact CD1-CB 4.42Å; L615-A618 WeakPolarHBondContact O-CB 3.46Å; L615-A618 PolarHBondContact O-N 3Å; L615-F619 HydrophobicContact CD1-CD2 4.15Å; L615-F619 HydrophobicContact CD1-CE2 3.75Å; L615-F619 HydrophobicContact CD1-CZ 4.42Å; L615-F619 HydrophobicContact CD2-CD2 4.48Å; L615-F619 HydrophobicContact CD2-CE2 3.79Å; L615-F619 HydrophobicContact CG-CD2 3.77Å; L615-F619 HydrophobicContact CG-CE2 3.49Å; L615-F619 VanDerWaalsContact CG-CE2 3.49Å; L615-F619 VanDerWaalsContact O-CD2 3.23Å; L615-F619 WeakPolarHBondContact O-CD2 3.22Å; L615-F619 PolarHBondContact O-N 2.88Å
616T95.6Very high89.7Confident6 Ų633.9 Ų33.94%0.03718%0.184CC..Hα-helixtrans-63.1-36.6172.871.80000112.1Y273 L276 P277 W280 G612 W613 L614 G620Y273-T616 HydrophobicContact CD2-CG2 4.05Å; Y273-T616 HydrophobicContact CG-CG2 4.11Å; L276-T616 HydrophobicContact CB-CG2 4.21Å; P277-T616 WeakPolarHBondContact CA-O 3.39Å; W280-T616 PolarHBondContact NE1-OG1 3.46Å; W280-T616 VanDerWaalsContact NE1-OG1 3.13Å; G612-T616 WeakPolarHBondContact O-CG2 3.34Å; G612-T616 PolarHBondContact O-N 3.23Å; W613-T616 WeakPolarHBondContact O-CB 3.1Å; W613-T616 PolarHBondContact O-N 3.17Å; W613-T616 PolarHBondContact O-OG1 2.96Å; L614-T616 PolarHBondContact O-N 2.97Å; T616-G620 PolarHBondContact O-N 2.91Å
617V95.9Very high90.4Very high5 Ų532.8 Ų32.83%0.0318%0.181CC..Hα-helixtrans-66-43.4175-168.20000110.4Y62 W280 L614 L615 F619 G620 N621Y62-V617 HydrophobicContact CD1-CB 4.09Å; Y62-V617 HydrophobicContact CD1-CG1 4.04Å; Y62-V617 HydrophobicContact CD1-CG2 4.41Å; Y62-V617 HydrophobicContact CD2-CB 4.16Å; Y62-V617 HydrophobicContact CD2-CG1 3.46Å; Y62-V617 VanDerWaalsContact CD2-CG1 3.46Å; Y62-V617 HydrophobicContact CE1-CG1 4.2Å; Y62-V617 HydrophobicContact CE2-CG1 3.64Å; Y62-V617 HydrophobicContact CG-CB 3.86Å; Y62-V617 HydrophobicContact CG-CG1 3.68Å; W280-V617 HydrophobicContact CB-CG1 4.34Å; W280-V617 HydrophobicContact CD2-CB 4.33Å; W280-V617 HydrophobicContact CD2-CG1 4.21Å; W280-V617 HydrophobicContact CD2-CG2 3.78Å; W280-V617 HydrophobicContact CE3-CG1 4.31Å; W280-V617 HydrophobicContact CE3-CG2 4.35Å; W280-V617 HydrophobicContact CG-CB 4.16Å; W280-V617 HydrophobicContact CG-CG1 4.22Å; W280-V617 HydrophobicContact CG-CG2 4Å; W280-V617 HydrophobicContact CZ2-CG2 4.03Å; L614-V617 VanDerWaalsContact O-CB 3.31Å; L614-V617 WeakPolarHBondContact O-CB 3.35Å; L614-V617 PolarHBondContact O-N 3.37Å; L615-V617 VanDerWaalsContact C-N 3.29Å; L615-V617 PolarHBondContact O-N 3.42Å; V617-F619 PolarHBondContact O-N 3.29Å; V617-G620 PolarHBondContact O-N 3.07Å; V617-N621 PolarHBondContact O-N 2.87Å; V617-N621 VanDerWaalsContact O-N 3.11Å; V617-N621 PolarHBondContact O-ND2 3.25Å
618A96.6Very high90.9Very high5 Ų530 Ų304%0.04116%0.161CC..Hα-helixtrans-59.3-48.8177.400000111.7G59 F63 L614 L615 G620 N621 V622G59-A618 WeakPolarHBondContact O-CB 3.15Å; F63-A618 HydrophobicContact CB-CB 4.1Å; L614-A618 PolarHBondContact O-N 3.33Å; L614-A618 VanDerWaalsContact O-N 3.1Å; L615-A618 HydrophobicContact CD1-CB 4.42Å; L615-A618 WeakPolarHBondContact O-CB 3.46Å; L615-A618 PolarHBondContact O-N 3Å; A618-G620 VanDerWaalsContact C-N 3.31Å; A618-G620 PolarHBondContact O-N 3.42Å; A618-N621 PolarHBondContact O-N 3.4Å; A618-V622 WeakPolarHBondContact O-CG2 3.41Å; A618-V622 PolarHBondContact O-N 3.31Å; A618-V622 VanDerWaalsContact O-N 3.13Å
619F97.3Very high91.1Very high110 Ų11034.1 Ų34.148%0.48218%0.18SC..Hα-helixtrans-65.1-33.4176.2-77.5-62000113P277 L615 V617 N621 V622 I623P277-F619 HydrophobicContact CB-CB 3.94Å; P277-F619 HydrophobicContact CG-CB 3.93Å; L615-F619 HydrophobicContact CD1-CD2 4.15Å; L615-F619 HydrophobicContact CD1-CE2 3.75Å; L615-F619 HydrophobicContact CD1-CZ 4.42Å; L615-F619 HydrophobicContact CD2-CD2 4.48Å; L615-F619 HydrophobicContact CD2-CE2 3.79Å; L615-F619 HydrophobicContact CG-CD2 3.77Å; L615-F619 HydrophobicContact CG-CE2 3.49Å; L615-F619 VanDerWaalsContact CG-CE2 3.49Å; L615-F619 VanDerWaalsContact O-CD2 3.23Å; L615-F619 WeakPolarHBondContact O-CD2 3.22Å; L615-F619 PolarHBondContact O-N 2.88Å; V617-F619 PolarHBondContact O-N 3.29Å; F619-N621 VanDerWaalsContact C-N 3.32Å; F619-N621 PolarHBondContact O-N 2.91Å; F619-V622 WeakPolarHBondContact O-CB 3.45Å; F619-V622 PolarHBondContact O-N 3.47Å; F619-I623 WeakPolarHBondContact O-CG1 3.39Å; F619-I623 PolarHBondContact O-N 3.05Å
620G97.4Very high90.9Very high0 Ų037.2 Ų37.20%021%0.212CC..Hα-helixtrans-59-44.5173.700000112.1P277 A281 T616 V617 A618 V622 I623 V624P277-G620 WeakPolarHBondContact O-CA 3.33Å; A281-G620 WeakPolarHBondContact CA-O 3.28Å; A281-G620 VanDerWaalsContact CB-O 3.25Å; A281-G620 WeakPolarHBondContact CB-O 3.36Å; T616-G620 PolarHBondContact O-N 2.91Å; V617-G620 PolarHBondContact O-N 3.07Å; A618-G620 VanDerWaalsContact C-N 3.31Å; A618-G620 PolarHBondContact O-N 3.42Å; G620-V622 VanDerWaalsContact C-N 3.34Å; G620-V622 PolarHBondContact O-N 3.42Å; G620-I623 WeakPolarHBondContact O-CB 3.5Å; G620-I623 PolarHBondContact O-N 3.42Å; G620-V624 PolarHBondContact O-N 3.46Å
621N97.5Very high90.6Very high0 Ų036.4 Ų36.40%022%0.215CC..Hα-helixtrans-65.9-35175.4-76.7-87.2000112.8H55 S58 D284 V617 A618 F619 I623 V624 L625H55-N621 HydrophobicContact CB-CB 4.22Å; H55-N621 PolarHBondContact ND1-OD1 2.91Å; H55-N621 WeakPolarHBondContact O-CB 3.44Å; S58-N621 VanDerWaalsContact CB-OD1 3.24Å; S58-N621 WeakPolarHBondContact CB-OD1 3.43Å; S58-N621 PolarHBondContact OG-OD1 3.25Å; D284-N621 PolarHBondContact OD2-ND2 3.31Å; D284-N621 PolarHBondContact OD2-OD1 2.75Å; V617-N621 PolarHBondContact O-N 2.87Å; V617-N621 VanDerWaalsContact O-N 3.11Å; V617-N621 PolarHBondContact O-ND2 3.25Å; A618-N621 PolarHBondContact O-N 3.4Å; F619-N621 VanDerWaalsContact C-N 3.32Å; F619-N621 PolarHBondContact O-N 2.91Å; N621-I623 VanDerWaalsContact C-N 3.32Å; N621-I623 PolarHBondContact O-N 2.62Å; N621-V624 PolarHBondContact O-N 2.99Å; N621-L625 PolarHBondContact O-N 3.18Å
622V95.9Very high90.3Very high65 Ų6538.7 Ų38.739%0.39424%0.24SC..Hα-helixtrans-63.6-37.7173.8173.60000111.6A618 F619 G620 V624 L625 I626A618-V622 WeakPolarHBondContact O-CG2 3.41Å; A618-V622 PolarHBondContact O-N 3.31Å; A618-V622 VanDerWaalsContact O-N 3.13Å; F619-V622 WeakPolarHBondContact O-CB 3.45Å; F619-V622 PolarHBondContact O-N 3.47Å; G620-V622 VanDerWaalsContact C-N 3.34Å; G620-V622 PolarHBondContact O-N 3.42Å; V622-V624 VanDerWaalsContact C-N 3.33Å; V622-V624 PolarHBondContact O-N 3.21Å; V622-L625 WeakPolarHBondContact O-CB 3.39Å; V622-L625 PolarHBondContact O-N 2.99Å; V622-I626 HydrophobicContact CG1-CD1 3.95Å; V622-I626 HydrophobicContact CG1-CG1 4.49Å; V622-I626 WeakPolarHBondContact O-CG1 3.22Å; V622-I626 PolarHBondContact O-N 3.02Å
623I95.6Very high90.1Very high51 Ų5141.1 Ų41.126%0.26225%0.25SS..Hα-helixtrans-59.6-45.4174.9-66.6165.6000110.3P277 M278 A281 F619 G620 N621 L625 I626 V627 F642P277-I623 HydrophobicContact CB-CD1 3.9Å; M278-I623 HydrophobicContact CE-CG2 4.44Å; A281-I623 HydrophobicContact CB-CB 4.14Å; A281-I623 HydrophobicContact CB-CG2 4.18Å; F619-I623 WeakPolarHBondContact O-CG1 3.39Å; F619-I623 PolarHBondContact O-N 3.05Å; G620-I623 WeakPolarHBondContact O-CB 3.5Å; G620-I623 PolarHBondContact O-N 3.42Å; N621-I623 VanDerWaalsContact C-N 3.32Å; N621-I623 PolarHBondContact O-N 2.62Å; I623-L625 PolarHBondContact O-N 3.43Å; I623-I626 PolarHBondContact O-N 2.89Å; I623-V627 HydrophobicContact CG2-CG2 4.45Å; I623-V627 WeakPolarHBondContact O-CG2 3.32Å; I623-V627 PolarHBondContact O-N 2.6Å; I623-F642 HydrophobicContact CG2-CE1 4.22Å
624V94.6Very high89.9Confident0 Ų044.2 Ų44.20%027%0.265CS..Hα-helixtrans-63.4-42.9178.8-1720000111.5T51 H55 A281 Q285 G620 N621 V622 I626 V627 A628 F642T51-V624 HydrophobicContact CG2-CG1 4.29Å; H55-V624 HydrophobicContact CB-CB 4.4Å; H55-V624 WeakPolarHBondContact CD2-CG1 3.38Å; H55-V624 WeakPolarHBondContact NE2-CG1 3.44Å; A281-V624 HydrophobicContact CB-CG2 3.79Å; A281-V624 WeakPolarHBondContact O-CG2 3.46Å; Q285-V624 HydrophobicContact CG-CG1 4.22Å; Q285-V624 HydrophobicContact CG-CG2 4.33Å; G620-V624 PolarHBondContact O-N 3.46Å; N621-V624 PolarHBondContact O-N 2.99Å; V622-V624 VanDerWaalsContact C-N 3.33Å; V622-V624 PolarHBondContact O-N 3.21Å; V624-I626 VanDerWaalsContact C-N 3.32Å; V624-I626 PolarHBondContact O-N 3.16Å; V624-V627 PolarHBondContact O-N 3.12Å; V624-A628 VanDerWaalsContact O-CB 3.29Å; V624-A628 WeakPolarHBondContact O-CB 3.38Å; V624-A628 PolarHBondContact O-N 3.44Å; V624-F642 HydrophobicContact CB-CZ 4.47Å; V624-F642 HydrophobicContact CG1-CZ 4.39Å; V624-F642 HydrophobicContact CG2-CE1 4.24Å; V624-F642 HydrophobicContact CG2-CZ 4.17Å
625L91.6Very high89.9Confident56 Ų5643.3 Ų43.329%0.29326%0.259SS..Hα-helixtrans-55-47.7175.7-179.7161.6000111.8A52 A56 N621 V622 I623 E629A52-L625 HydrophobicContact CB-CG 4.36Å; A56-L625 HydrophobicContact CB-CD1 3.8Å; N621-L625 PolarHBondContact O-N 3.18Å; V622-L625 WeakPolarHBondContact O-CB 3.39Å; V622-L625 PolarHBondContact O-N 2.99Å; I623-L625 PolarHBondContact O-N 3.43Å; L625-E629 PolarHBondContact O-N 3.47Å
626I90.7Very high89.8Confident107 Ų10744.6 Ų44.655%0.54926%0.261SS..Hα-helixtrans-65.1-40.9-179.5-66.8166.8000111.2V622 I623 V624 G630V622-I626 HydrophobicContact CG1-CD1 3.95Å; V622-I626 HydrophobicContact CG1-CG1 4.49Å; V622-I626 WeakPolarHBondContact O-CG1 3.22Å; V622-I626 PolarHBondContact O-N 3.02Å; I623-I626 PolarHBondContact O-N 2.89Å; V624-I626 VanDerWaalsContact C-N 3.32Å; V624-I626 PolarHBondContact O-N 3.16Å; I626-G630 VanDerWaalsContact O-CA 3.31Å; I626-G630 WeakPolarHBondContact O-CA 3.4Å; I626-G630 PolarHBondContact O-N 3.46Å
627V89.1Confident89.7Confident24 Ų2447.9 Ų47.915%0.14528%0.275CS..Hα-helixtrans-72.2-43.1-178.7174.50000111.4I623 V624 E629 G630 A631 E638 L641 F642I623-V627 HydrophobicContact CG2-CG2 4.45Å; I623-V627 WeakPolarHBondContact O-CG2 3.32Å; I623-V627 PolarHBondContact O-N 2.6Å; V624-V627 PolarHBondContact O-N 3.12Å; V627-E629 PolarHBondContact O-N 2.85Å; V627-G630 PolarHBondContact O-N 2.88Å; V627-A631 HydrophobicContact CG1-CB 4.13Å; V627-A631 WeakPolarHBondContact O-CB 3.36Å; V627-A631 PolarHBondContact O-N 3.23Å; V627-E638 HydrophobicContact CG1-CG 4.3Å; V627-L641 HydrophobicContact CG1-CD2 4.26Å; V627-F642 HydrophobicContact CB-CE2 4.23Å; V627-F642 HydrophobicContact CB-CZ 3.86Å; V627-F642 HydrophobicContact CG1-CE2 3.74Å; V627-F642 HydrophobicContact CG1-CZ 3.88Å; V627-F642 HydrophobicContact CG2-CZ 4.06Å
628A83.3Confident89.6Confident3 Ų347.8 Ų47.83%0.02527%0.274CS..Hα-helixtrans-60.8-45.7-178.600000112T51 V624T51-A628 HydrophobicContact CG2-CB 4.09Å; V624-A628 VanDerWaalsContact O-CB 3.29Å; V624-A628 WeakPolarHBondContact O-CB 3.38Å; V624-A628 PolarHBondContact O-N 3.44Å
629E83.8Confident89.6Confident103 Ų10347.6 Ų47.648%0.48127%0.272SS..Hα-helixtrans-81.3-35.1178.5-71.2-69.8151.100113L49 A52 L625 V627L49-E629 VanDerWaalsContact CA-OE1 3.28Å; L49-E629 WeakPolarHBondContact CA-OE1 3.49Å; L49-E629 PolarHBondContact N-OE1 2.98Å; A52-E629 HydrophobicContact CB-CG 3.74Å; A52-E629 WeakPolarHBondContact CB-OE1 2.96Å; L625-E629 PolarHBondContact O-N 3.47Å; V627-E629 PolarHBondContact O-N 2.85Å
630G78.1Confident89.5Confident66 Ų6646.4 Ų46.468%0.6827%0.27SS*.Hα-helixtrans-90.9-22.1-168.200000115.2I626 V627I626-G630 VanDerWaalsContact O-CA 3.31Å; I626-G630 WeakPolarHBondContact O-CA 3.4Å; I626-G630 PolarHBondContact O-N 3.46Å; V627-G630 PolarHBondContact O-N 2.88Å
631A75.4Confident89.4Confident42 Ų4249.3 Ų49.335%0.34729%0.286SS..SBendtrans-93.6-28.6-17000000113.7V627 L633V627-A631 HydrophobicContact CG1-CB 4.13Å; V627-A631 WeakPolarHBondContact O-CB 3.36Å; V627-A631 PolarHBondContact O-N 3.23Å; A631-L633 HydrophobicContact CB-CB 4.36Å; A631-L633 HydrophobicContact CB-CD1 3.79Å; A631-L633 HydrophobicContact CB-CG 3.72Å; A631-L633 PolarHBondContact O-N 3.48Å; A631-L633 VanDerWaalsContact O-N 3.12Å
632G75.3Confident89.4Confident66 Ų6649.3 Ų49.368%0.6829%0.286SS*.  trans5430.2-176.300000113.2
633L84.9Confident89.5Confident65 Ų6546.6 Ų46.634%0.3427%0.271SS..  trans-90.3144.3-175-67.6175.3000110.6A631 K637 L641A631-L633 HydrophobicContact CB-CB 4.36Å; A631-L633 HydrophobicContact CB-CD1 3.79Å; A631-L633 HydrophobicContact CB-CG 3.72Å; A631-L633 PolarHBondContact O-N 3.48Å; A631-L633 VanDerWaalsContact O-N 3.12Å; L633-K637 HydrophobicContact CB-CB 4.32Å; L633-L641 HydrophobicContact CD1-CD2 3.84Å
634E86.1Confident89.5Confident70 Ų7047.7 Ų47.733%0.32728%0.282SS..  trans-56.3144.6164.3-72.5158.6-125.500110.8W636 K637 E638E634-W636 VanDerWaalsContact C-N 3.28Å; E634-W636 PolarHBondContact O-N 3.25Å; E634-W636 VanDerWaalsContact O-N 3.12Å; E634-W636 PolarHBondContact OE2-NE1 3.2Å; E634-K637 HydrophobicContact CB-CD 4.18Å; E634-K637 HydrophobicContact CB-CG 4.33Å; E634-K637 VanDerWaalsContact CD-NZ 3.33Å; E634-K637 WeakPolarHBondContact O-CA 3.3Å; E634-K637 WeakPolarHBondContact O-CB 3.14Å; E634-K637 PolarHBondContact O-N 3.4Å; E634-K637 IonicContact OE1-NZ 2.79Å; E634-K637 PolarHBondContact OE1-NZ 2.95Å; E634-K637 WeakPolarHBondContact OE2-CE 3.18Å; E634-K637 IonicContact OE2-NZ 3.7Å; E634-K637 PolarHBondContact OE2-NZ 3.5Å; E634-E638 PolarHBondContact O-N 2.95Å
635Q89.8Confident89.6Confident20 Ų2051.3 Ų51.39%0.09330%0.301CS..Hα-helixtrans-56.4-36-171.8-174.7171-3300113.9R289 E366 E638 F639R289-Q635 PolarHBondContact O-NE2 3.32Å; E366-Q635 HydrophobicContact CG-CB 4.42Å; E366-Q635 HydrophobicContact CG-CG 4.43Å; Q635-E638 WeakPolarHBondContact O-CB 3.38Å; Q635-E638 PolarHBondContact O-N 3.11Å; Q635-F639 HydrophobicContact CG-CD2 4.48Å; Q635-F639 HydrophobicContact CG-CE1 4.28Å; Q635-F639 HydrophobicContact CG-CE2 3.91Å; Q635-F639 HydrophobicContact CG-CZ 3.82Å; Q635-F639 VanDerWaalsContact NE2-CZ 3.28Å; Q635-F639 WeakPolarHBondContact O-CG 3.09Å; Q635-F639 PolarHBondContact O-N 3.14Å
636W92.1Very high89.9Confident73 Ų7348.7 Ų48.728%0.27729%0.287SS..Hα-helixtrans-70.8-33.6177.870.3-91.4000112.7T363 E366 I367 E634 F639 L640T363-W636 HydrophobicContact CG2-CB 4.47Å; T363-W636 HydrophobicContact CG2-CE3 4.32Å; E366-W636 HydrophobicContact CB-CB 3.86Å; E366-W636 HydrophobicContact CG-CB 3.57Å; I367-W636 HydrophobicContact CD1-CE3 4.27Å; I367-W636 HydrophobicContact CG1-CB 4.12Å; I367-W636 HydrophobicContact CG1-CD2 4.21Å; I367-W636 HydrophobicContact CG1-CE3 4.34Å; I367-W636 HydrophobicContact CG1-CG 4.15Å; E634-W636 VanDerWaalsContact C-N 3.28Å; E634-W636 PolarHBondContact O-N 3.25Å; E634-W636 VanDerWaalsContact O-N 3.12Å; E634-W636 PolarHBondContact OE2-NE1 3.2Å; W636-F639 PolarHBondContact O-N 2.87Å; W636-L640 PolarHBondContact O-N 3.38Å; W636-L640 VanDerWaalsContact O-N 3.08Å
637K93.7Very high90.2Very high74 Ų7447.5 Ų47.532%0.32228%0.282SS..Hα-helixtrans-68.7-40.6174.9-62.9175.5-175.4161.20109.7L633 E634 L640 L641L633-K637 HydrophobicContact CB-CB 4.32Å; E634-K637 HydrophobicContact CB-CD 4.18Å; E634-K637 HydrophobicContact CB-CG 4.33Å; E634-K637 VanDerWaalsContact CD-NZ 3.33Å; E634-K637 WeakPolarHBondContact O-CA 3.3Å; E634-K637 WeakPolarHBondContact O-CB 3.14Å; E634-K637 PolarHBondContact O-N 3.4Å; E634-K637 IonicContact OE1-NZ 2.79Å; E634-K637 PolarHBondContact OE1-NZ 2.95Å; E634-K637 WeakPolarHBondContact OE2-CE 3.18Å; E634-K637 IonicContact OE2-NZ 3.7Å; E634-K637 PolarHBondContact OE2-NZ 3.5Å; K637-L640 PolarHBondContact O-N 3.15Å; K637-L641 WeakPolarHBondContact O-CB 3.42Å; K637-L641 PolarHBondContact O-N 2.99Å
638E93.3Very high90.6Very high4 Ų448 Ų482%0.01929%0.292CS..Hα-helixtrans-58.6-49173.3-174.7-179158.300110.9R289 V627 E634 Q635 L640 L641 F642R289-E638 IonicContact CZ-OE1 3.14Å; R289-E638 IonicContact CZ-OE2 3.68Å; R289-E638 IonicContact NE-OE1 2.69Å; R289-E638 PolarHBondContact NE-OE1 2.98Å; R289-E638 IonicContact NE-OE2 3.14Å; R289-E638 PolarHBondContact NE-OE2 3.41Å; R289-E638 IonicContact NH2-OE1 3.66Å; R289-E638 IonicContact NH2-OE2 3.67Å; R289-E638 PolarHBondContact NH2-OE2 3.08Å; V627-E638 HydrophobicContact CG1-CG 4.3Å; E634-E638 PolarHBondContact O-N 2.95Å; Q635-E638 WeakPolarHBondContact O-CB 3.38Å; Q635-E638 PolarHBondContact O-N 3.11Å; E638-L640 VanDerWaalsContact C-N 3.33Å; E638-L640 PolarHBondContact O-N 2.97Å; E638-L641 WeakPolarHBondContact O-CB 3.44Å; E638-L641 PolarHBondContact O-N 3.43Å; E638-F642 HydrophobicContact CG-CD2 3.7Å; E638-F642 HydrophobicContact CG-CE2 3.54Å; E638-F642 VanDerWaalsContact O-CD2 3.24Å; E638-F642 WeakPolarHBondContact O-CD2 3.08Å; E638-F642 PolarHBondContact O-N 2.83Å
639F95.9Very high91.3Very high0 Ų049.1 Ų49.10%030%0.299CS..Hα-helixtrans-58.7-43.2176.4-68.3-23.5000113R289 W290 F359 A362 T363 E366 Q635 W636 F642 G643R289-F639 HydrophobicContact CB-CE1 3.59Å; R289-F639 HydrophobicContact CB-CZ 3.84Å; R289-F639 HydrophobicContact CG-CE1 4.31Å; W290-F639 AromaticContact CD1-CE1 3.83Å; W290-F639 AromaticContact CD1-CZ 3.66Å; W290-F639 AromaticContact NE1-CE1 3.98Å; F359-F639 HydrophobicContact CD1-CB 4.09Å; F359-F639 HydrophobicContact CD1-CD1 4.01Å; F359-F639 HydrophobicContact CD1-CG 4.36Å; F359-F639 WeakPolarHBondContact CD1-O 3.35Å; F359-F639 AromaticContact CE1-CD1 3.79Å; F359-F639 HydrophobicContact CE1-CD1 3.79Å; F359-F639 HydrophobicContact CE1-CE1 4.39Å; A362-F639 HydrophobicContact CB-CD2 3.98Å; A362-F639 HydrophobicContact CB-CE2 4.18Å; A362-F639 HydrophobicContact CB-CG 4.41Å; T363-F639 VanDerWaalsContact OG1-CB 3.24Å; T363-F639 WeakPolarHBondContact OG1-CB 3.44Å; E366-F639 HydrophobicContact CB-CD2 4.17Å; E366-F639 HydrophobicContact CB-CE2 4.23Å; E366-F639 HydrophobicContact CG-CD2 4.47Å; E366-F639 HydrophobicContact CG-CE2 4.37Å; Q635-F639 HydrophobicContact CG-CD2 4.48Å; Q635-F639 HydrophobicContact CG-CE1 4.28Å; Q635-F639 HydrophobicContact CG-CE2 3.91Å; Q635-F639 HydrophobicContact CG-CZ 3.82Å; Q635-F639 VanDerWaalsContact NE2-CZ 3.28Å; Q635-F639 WeakPolarHBondContact O-CG 3.09Å; Q635-F639 PolarHBondContact O-N 3.14Å; W636-F639 PolarHBondContact O-N 2.87Å; F639-F642 PolarHBondContact O-N 3.25Å; F639-G643 PolarHBondContact O-N 3.02Å
640L96.2Very high91.9Very high85 Ų8544.7 Ų44.745%0.44528%0.279SS..Hα-helixtrans-64.3-42.4177.6-175.164.2000111.5T363 W636 K637 E638 G643 C644T363-L640 HydrophobicContact CG2-CB 4.44Å; T363-L640 PolarHBondContact OG1-N 3.27Å; W636-L640 PolarHBondContact O-N 3.38Å; W636-L640 VanDerWaalsContact O-N 3.08Å; K637-L640 PolarHBondContact O-N 3.15Å; E638-L640 VanDerWaalsContact C-N 3.33Å; E638-L640 PolarHBondContact O-N 2.97Å; L640-G643 PolarHBondContact O-N 3.41Å; L640-C644 WeakPolarHBondContact O-CB 3.38Å; L640-C644 PolarHBondContact O-N 3.36Å; L640-C644 PolarHBondContact O-SG 3.02Å; L640-C644 VanDerWaalsContact O-SG 3.34Å
641L95.4Very high92.8Very high62 Ų6246.5 Ų46.533%0.32528%0.276SS..Hα-helixtrans-58-51.1176.1174.865.3000111V627 L633 K637 E638 G643 C644 L645V627-L641 HydrophobicContact CG1-CD2 4.26Å; L633-L641 HydrophobicContact CD1-CD2 3.84Å; K637-L641 WeakPolarHBondContact O-CB 3.42Å; K637-L641 PolarHBondContact O-N 2.99Å; E638-L641 WeakPolarHBondContact O-CB 3.44Å; E638-L641 PolarHBondContact O-N 3.43Å; L641-G643 PolarHBondContact O-N 3.33Å; L641-C644 PolarHBondContact O-N 3.15Å; L641-L645 HydrophobicContact CD1-CD1 3.93Å; L641-L645 HydrophobicContact CD1-CG 4.05Å; L641-L645 HydrophobicContact CG-CD1 3.89Å; L641-L645 HydrophobicContact CG-CG 4.39Å; L641-L645 WeakPolarHBondContact O-CB 3.41Å; L641-L645 VanDerWaalsContact O-CG 3.28Å; L641-L645 WeakPolarHBondContact O-CG 3.11Å; L641-L645 PolarHBondContact O-N 3.41Å
642F96.4Very high93.9Very high0 Ų049.1 Ų49.10%028%0.283CS..Hα-helixtrans-59.4-44.1178.3-86.3-72.8000112.3M278 A281 L282 Q285 F359 I623 V624 V627 E638 F639 L645 L646M278-F642 HydrophobicContact CE-CD1 3.36Å; M278-F642 HydrophobicContact CE-CE1 3.75Å; A281-F642 HydrophobicContact CB-CE1 4.07Å; L282-F642 HydrophobicContact CD1-CB 3.87Å; L282-F642 HydrophobicContact CD1-CD1 3.75Å; L282-F642 HydrophobicContact CD1-CG 4.26Å; L282-F642 HydrophobicContact CD2-CB 4.4Å; L282-F642 HydrophobicContact CG-CB 4Å; L282-F642 HydrophobicContact CG-CD1 4.45Å; Q285-F642 VanDerWaalsContact NE2-CD2 3.3Å; Q285-F642 VanDerWaalsContact NE2-CE2 3.31Å; F359-F642 HydrophobicContact CD1-CB 3.77Å; F359-F642 HydrophobicContact CE1-CB 3.82Å; F359-F642 HydrophobicContact CE1-CG 4.33Å; I623-F642 HydrophobicContact CG2-CE1 4.22Å; V624-F642 HydrophobicContact CB-CZ 4.47Å; V624-F642 HydrophobicContact CG1-CZ 4.39Å; V624-F642 HydrophobicContact CG2-CE1 4.24Å; V624-F642 HydrophobicContact CG2-CZ 4.17Å; V627-F642 HydrophobicContact CB-CE2 4.23Å; V627-F642 HydrophobicContact CB-CZ 3.86Å; V627-F642 HydrophobicContact CG1-CE2 3.74Å; V627-F642 HydrophobicContact CG1-CZ 3.88Å; V627-F642 HydrophobicContact CG2-CZ 4.06Å; E638-F642 HydrophobicContact CG-CD2 3.7Å; E638-F642 HydrophobicContact CG-CE2 3.54Å; E638-F642 VanDerWaalsContact O-CD2 3.24Å; E638-F642 WeakPolarHBondContact O-CD2 3.08Å; E638-F642 PolarHBondContact O-N 2.83Å; F639-F642 PolarHBondContact O-N 3.25Å; F642-L645 PolarHBondContact O-N 3.33Å; F642-L646 WeakPolarHBondContact O-CB 3.47Å; F642-L646 PolarHBondContact O-N 3.1Å
643G97.2Very high94.9Very high8 Ų846 Ų468%0.08225%0.251CS..Hα-helixtrans-59.9-47.3175.700000112.8F639 L640 L641 L646 L647F639-G643 PolarHBondContact O-N 3.02Å; L640-G643 PolarHBondContact O-N 3.41Å; L641-G643 PolarHBondContact O-N 3.33Å; G643-L646 PolarHBondContact O-N 2.88Å; G643-L647 WeakPolarHBondContact O-CG 3.21Å; G643-L647 PolarHBondContact O-N 3.06Å; G643-L647 VanDerWaalsContact O-N 3.08Å
644C96.8Very high95.4Very high73 Ų7345.4 Ų45.449%0.49325%0.252SS..Hα-helixtrans-64.6-43.5178.1-72.90000112.7L640 L641 L646 L647 G648L640-C644 WeakPolarHBondContact O-CB 3.38Å; L640-C644 PolarHBondContact O-N 3.36Å; L640-C644 PolarHBondContact O-SG 3.02Å; L640-C644 VanDerWaalsContact O-SG 3.34Å; L641-C644 PolarHBondContact O-N 3.15Å; C644-L646 VanDerWaalsContact C-N 3.33Å; C644-L646 PolarHBondContact O-N 2.88Å; C644-L647 PolarHBondContact O-N 3.25Å; C644-G648 PolarHBondContact O-N 3.34Å
645L96.3Very high95.8Very high77 Ų7748.5 Ų48.540%0.40327%0.265SS..Hα-helixtrans-60.6-43.2175.9-73.1174.4000111M278 L641 F642 L647 G648 V649M278-L645 HydrophobicContact CE-CB 4.36Å; M278-L645 HydrophobicContact SD-CB 4.04Å; L641-L645 HydrophobicContact CD1-CD1 3.93Å; L641-L645 HydrophobicContact CD1-CG 4.05Å; L641-L645 HydrophobicContact CG-CD1 3.89Å; L641-L645 HydrophobicContact CG-CG 4.39Å; L641-L645 WeakPolarHBondContact O-CB 3.41Å; L641-L645 VanDerWaalsContact O-CG 3.28Å; L641-L645 WeakPolarHBondContact O-CG 3.11Å; L641-L645 PolarHBondContact O-N 3.41Å; F642-L645 PolarHBondContact O-N 3.33Å; L645-L647 VanDerWaalsContact C-N 3.34Å; L645-L647 PolarHBondContact O-N 3.44Å; L645-G648 PolarHBondContact O-N 2.99Å; L645-V649 WeakPolarHBondContact O-CG2 3.47Å; L645-V649 PolarHBondContact O-N 3.19Å
646L97.9Very high96.1Very high0 Ų049.7 Ų49.70%027%0.271CS..Hα-helixtrans-64.6-36.9177.6-174.660.6000112.3M278 F279 L282 M352 A355 A356 F642 G643 C644 V649 C650M278-L646 HydrophobicContact CB-CD1 4.02Å; M278-L646 HydrophobicContact CG-CB 4.21Å; M278-L646 HydrophobicContact CG-CD1 3.87Å; F279-L646 HydrophobicContact CB-CD1 4.4Å; L282-L646 HydrophobicContact CD1-CB 4.09Å; L282-L646 HydrophobicContact CD1-CD2 4.31Å; L282-L646 HydrophobicContact CD2-CB 4.06Å; L282-L646 HydrophobicContact CD2-CD2 3.63Å; L282-L646 HydrophobicContact CD2-CG 4.47Å; L282-L646 HydrophobicContact CG-CD2 4.41Å; M352-L646 HydrophobicContact CB-CD1 4.07Å; M352-L646 HydrophobicContact CB-CD2 4.32Å; M352-L646 HydrophobicContact CB-CG 4.16Å; M352-L646 HydrophobicContact CG-CD1 3.97Å; M352-L646 VanDerWaalsContact O-CD2 3.24Å; M352-L646 WeakPolarHBondContact O-CD2 3.49Å; M352-L646 HydrophobicContact SD-CD1 4.05Å; A355-L646 HydrophobicContact CB-CD2 3.58Å; A356-L646 HydrophobicContact CB-CB 4.49Å; A356-L646 HydrophobicContact CB-CD2 4.37Å; F642-L646 WeakPolarHBondContact O-CB 3.47Å; F642-L646 PolarHBondContact O-N 3.1Å; G643-L646 PolarHBondContact O-N 2.88Å; C644-L646 VanDerWaalsContact C-N 3.33Å; C644-L646 PolarHBondContact O-N 2.88Å; L646-V649 PolarHBondContact O-N 3.48Å; L646-C650 VanDerWaalsContact O-CB 3.3Å; L646-C650 WeakPolarHBondContact O-CB 3.32Å; L646-C650 PolarHBondContact O-N 3.31Å
647L97.7Very high96.1Very high82 Ų8247.1 Ų47.143%0.42927%0.266SS..Hα-helixtrans-63.4-43.5173.2-70.4175.9000111.9A356 G643 C644 L645 V649 C650 V651A356-L647 HydrophobicContact CB-CD1 4.5Å; A356-L647 HydrophobicContact CB-CD2 3.68Å; A356-L647 HydrophobicContact CB-CG 3.74Å; G643-L647 WeakPolarHBondContact O-CG 3.21Å; G643-L647 PolarHBondContact O-N 3.06Å; G643-L647 VanDerWaalsContact O-N 3.08Å; C644-L647 PolarHBondContact O-N 3.25Å; L645-L647 VanDerWaalsContact C-N 3.34Å; L645-L647 PolarHBondContact O-N 3.44Å; L647-V649 VanDerWaalsContact C-N 3.34Å; L647-V649 PolarHBondContact O-N 3.17Å; L647-C650 WeakPolarHBondContact O-CB 3.36Å; L647-C650 PolarHBondContact O-N 2.95Å; L647-V651 PolarHBondContact O-N 3.09Å; L647-V651 VanDerWaalsContact O-N 3.09Å
648G97.3Very high95.9Very high36 Ų3650.8 Ų50.837%0.37128%0.283SS..Hα-helixtrans-59.3-45.2173.700000112.1C644 L645 C650 V651 I652C644-G648 PolarHBondContact O-N 3.34Å; L645-G648 PolarHBondContact O-N 2.99Å; G648-C650 VanDerWaalsContact C-N 3.33Å; G648-C650 PolarHBondContact O-N 3.29Å; G648-V651 WeakPolarHBondContact O-CB 3.5Å; G648-V651 PolarHBondContact O-N 3.06Å; G648-I652 WeakPolarHBondContact O-CG1 3.22Å; G648-I652 PolarHBondContact O-N 3.3Å; G648-I652 VanDerWaalsContact O-N 3.14Å
649V96.9Very high95.8Very high26 Ų2656.8 Ų56.816%0.15831%0.31CS..Hα-helixtrans-64.5-36.3175.61700000112P275 M278 M352 L645 L646 L647 V651 I652 F653P275-V649 HydrophobicContact CB-CG1 3.57Å; P275-V649 VanDerWaalsContact O-CG1 3.23Å; P275-V649 WeakPolarHBondContact O-CG1 3.49Å; M278-V649 HydrophobicContact CB-CB 4.18Å; M278-V649 HydrophobicContact CB-CG1 3.93Å; M278-V649 HydrophobicContact CB-CG2 3.97Å; M278-V649 HydrophobicContact CG-CB 4.18Å; M278-V649 HydrophobicContact CG-CG1 4.47Å; M278-V649 HydrophobicContact CG-CG2 3.85Å; M352-V649 HydrophobicContact SD-CG1 4.47Å; L645-V649 WeakPolarHBondContact O-CG2 3.47Å; L645-V649 PolarHBondContact O-N 3.19Å; L646-V649 PolarHBondContact O-N 3.48Å; L647-V649 VanDerWaalsContact C-N 3.34Å; L647-V649 PolarHBondContact O-N 3.17Å; V649-V651 VanDerWaalsContact C-N 3.31Å; V649-V651 PolarHBondContact O-N 3.16Å; V649-I652 PolarHBondContact O-N 2.95Å; V649-F653 WeakPolarHBondContact O-CB 3.46Å; V649-F653 PolarHBondContact O-N 3.39Å
650C97.7Very high95.5Very high9 Ų958.2 Ų58.26%0.06132%0.315CS..Hα-helixtrans-62.1-38.5175.1-178.10000111.7A349 M352 L646 L647 G648 S654A349-C650 PolarHBondContact O-SG 2.89Å; A349-C650 VanDerWaalsContact O-SG 3.39Å; M352-C650 HydrophobicContact CB-CB 4.08Å; M352-C650 HydrophobicContact CE-CB 4.27Å; M352-C650 HydrophobicContact SD-CB 4.49Å; L646-C650 VanDerWaalsContact O-CB 3.3Å; L646-C650 WeakPolarHBondContact O-CB 3.32Å; L646-C650 PolarHBondContact O-N 3.31Å; L647-C650 WeakPolarHBondContact O-CB 3.36Å; L647-C650 PolarHBondContact O-N 2.95Å; G648-C650 VanDerWaalsContact C-N 3.33Å; G648-C650 PolarHBondContact O-N 3.29Å; C650-S654 VanDerWaalsContact O-CB 3.26Å; C650-S654 WeakPolarHBondContact O-CB 3.35Å; C650-S654 PolarHBondContact O-N 3.45Å; C650-S654 PolarHBondContact O-OG 2.97Å
651V97.3Very high95Very high104 Ų10458.1 Ų58.163%0.6332%0.318SS*.Hα-helixtrans-64.4-47.4174.1174.50000110.7L647 G648 V649 F653 S654 F655L647-V651 PolarHBondContact O-N 3.09Å; L647-V651 VanDerWaalsContact O-N 3.09Å; G648-V651 WeakPolarHBondContact O-CB 3.5Å; G648-V651 PolarHBondContact O-N 3.06Å; V649-V651 VanDerWaalsContact C-N 3.31Å; V649-V651 PolarHBondContact O-N 3.16Å; V651-F653 PolarHBondContact O-N 3.24Å; V651-S654 PolarHBondContact O-N 3.42Å; V651-F655 PolarHBondContact O-N 2.98Å
652I96.8Very high94.5Very high97 Ų9760.4 Ų60.450%0.49732%0.323SS..Hα-helixtrans-59.6-49.1177.8-65.3168.5000110.6G648 V649 S654 F655 M656G648-I652 WeakPolarHBondContact O-CG1 3.22Å; G648-I652 PolarHBondContact O-N 3.3Å; G648-I652 VanDerWaalsContact O-N 3.14Å; V649-I652 PolarHBondContact O-N 2.95Å; I652-S654 VanDerWaalsContact C-N 3.33Å; I652-S654 PolarHBondContact O-N 3.41Å; I652-F655 WeakPolarHBondContact O-CB 3.24Å; I652-F655 PolarHBondContact O-N 3.42Å; I652-M656 HydrophobicContact CG2-CG 4.47Å; I652-M656 HydrophobicContact CG2-SD 3.87Å; I652-M656 WeakPolarHBondContact O-CG 3.34Å; I652-M656 PolarHBondContact O-N 3.5Å
653F96.7Very high93.9Very high1 Ų162 Ų620%0.00433%0.333CS..Hα-helixtrans-62.1-40.8178.2177.3-98.3000111.9P275 L276 L345 M348 A349 M352 V649 V651 F655 M656 A657P275-F653 HydrophobicContact CB-CB 4.33Å; P275-F653 HydrophobicContact CG-CB 4.1Å; P275-F653 HydrophobicContact CG-CD2 3.73Å; P275-F653 HydrophobicContact CG-CG 4.41Å; L276-F653 HydrophobicContact CD2-CD2 4Å; L276-F653 HydrophobicContact CD2-CE2 3.74Å; L276-F653 HydrophobicContact CD2-CZ 4.42Å; L345-F653 HydrophobicContact CD2-CZ 3.96Å; L345-F653 WeakPolarHBondContact O-CE1 3.48Å; M348-F653 HydrophobicContact CB-CE1 3.89Å; M348-F653 HydrophobicContact CB-CZ 3.98Å; M348-F653 HydrophobicContact CE-CE2 4.44Å; M348-F653 HydrophobicContact CE-CZ 4.02Å; M348-F653 HydrophobicContact SD-CZ 4.11Å; A349-F653 HydrophobicContact CB-CD1 4.21Å; A349-F653 HydrophobicContact CB-CE1 4.35Å; M352-F653 HydrophobicContact CE-CB 3.71Å; M352-F653 HydrophobicContact CE-CD1 3.28Å; M352-F653 HydrophobicContact CE-CE1 3.97Å; M352-F653 HydrophobicContact CE-CG 3.58Å; V649-F653 WeakPolarHBondContact O-CB 3.46Å; V649-F653 PolarHBondContact O-N 3.39Å; V651-F653 PolarHBondContact O-N 3.24Å; F653-F655 VanDerWaalsContact C-N 3.31Å; F653-F655 PolarHBondContact O-N 2.89Å; F653-M656 PolarHBondContact O-N 3.29Å; F653-A657 HydrophobicContact CE1-CB 4.48Å; F653-A657 WeakPolarHBondContact O-CB 3.23Å; F653-A657 PolarHBondContact O-N 3.41Å
654S95.9Very high93.1Very high52 Ų5264.7 Ų64.736%0.36435%0.346SS..Hα-helixtrans-63.1-38.6177.1-62.20000111.8C650 V651 I652 H658C650-S654 VanDerWaalsContact O-CB 3.26Å; C650-S654 WeakPolarHBondContact O-CB 3.35Å; C650-S654 PolarHBondContact O-N 3.45Å; C650-S654 PolarHBondContact O-OG 2.97Å; V651-S654 PolarHBondContact O-N 3.42Å; I652-S654 VanDerWaalsContact C-N 3.33Å; I652-S654 PolarHBondContact O-N 3.41Å; S654-H658 PolarHBondContact O-N 3.27Å
655F95.6Very high92.1Very high136 Ų13662.2 Ų62.260%0.59633%0.329SS*.Hα-helixtrans-64-49.5172.6-177.6-93.7000111.2V651 I652 F653 A657 H658 F659V651-F655 PolarHBondContact O-N 2.98Å; I652-F655 WeakPolarHBondContact O-CB 3.24Å; I652-F655 PolarHBondContact O-N 3.42Å; F653-F655 VanDerWaalsContact C-N 3.31Å; F653-F655 PolarHBondContact O-N 2.89Å; F655-A657 VanDerWaalsContact C-N 3.31Å; F655-A657 PolarHBondContact O-N 2.95Å; F655-H658 WeakPolarHBondContact O-CB 3.2Å; F655-H658 PolarHBondContact O-N 3.01Å; F655-H658 VanDerWaalsContact O-N 3.16Å; F655-F659 HydrophobicContact CD1-CD2 4.23Å; F655-F659 HydrophobicContact CD1-CE2 4.12Å; F655-F659 AromaticContact CD2-CE2 3.94Å; F655-F659 HydrophobicContact CD2-CE2 3.94Å; F655-F659 AromaticContact CE1-CD2 3.99Å; F655-F659 HydrophobicContact CE1-CD2 3.99Å; F655-F659 AromaticContact CE1-CE2 3.69Å; F655-F659 HydrophobicContact CE1-CE2 3.69Å; F655-F659 HydrophobicContact CE2-CD2 4.49Å; F655-F659 AromaticContact CE2-CE2 3.51Å; F655-F659 HydrophobicContact CE2-CE2 3.51Å; F655-F659 HydrophobicContact CE2-CZ 4.21Å; F655-F659 HydrophobicContact CG-CE2 4.24Å; F655-F659 HydrophobicContact CZ-CD2 4.14Å; F655-F659 AromaticContact CZ-CE2 3.36Å; F655-F659 HydrophobicContact CZ-CE2 3.36Å; F655-F659 HydrophobicContact CZ-CZ 4.11Å; F655-F659 VanDerWaalsContact O-CD2 3.22Å; F655-F659 WeakPolarHBondContact O-CD2 3.32Å; F655-F659 PolarHBondContact O-N 3.11Å
656M94.3Very high91.1Very high45 Ų4564.1 Ų64.122%0.22234%0.336CS..Hα-helixtrans-60.1-41177.2-67170.370.800112.3V271 L272 P275 I652 F653 H658 F659 Y660V271-M656 HydrophobicContact CG1-CE 3.96Å; V271-M656 WeakPolarHBondContact O-CE 3.23Å; L272-M656 HydrophobicContact CD2-CB 3.89Å; P275-M656 HydrophobicContact CG-SD 4.07Å; I652-M656 HydrophobicContact CG2-CG 4.47Å; I652-M656 HydrophobicContact CG2-SD 3.87Å; I652-M656 WeakPolarHBondContact O-CG 3.34Å; I652-M656 PolarHBondContact O-N 3.5Å; F653-M656 PolarHBondContact O-N 3.29Å; M656-H658 VanDerWaalsContact C-N 3.3Å; M656-H658 PolarHBondContact O-N 3.11Å; M656-F659 PolarHBondContact O-N 3.17Å; M656-Y660 PolarHBondContact O-N 2.9Å
657A92.5Very high90Very high19 Ų1969.6 Ų69.616%0.15736%0.361CS..Hα-helixtrans-65.5-31.2177.900000112.7L345 F653 F655 F659 Y660L345-A657 HydrophobicContact CB-CB 3.88Å; L345-A657 HydrophobicContact CD1-CB 3.82Å; L345-A657 HydrophobicContact CG-CB 4.37Å; F653-A657 HydrophobicContact CE1-CB 4.48Å; F653-A657 WeakPolarHBondContact O-CB 3.23Å; F653-A657 PolarHBondContact O-N 3.41Å; F655-A657 VanDerWaalsContact C-N 3.31Å; F655-A657 PolarHBondContact O-N 2.95Å; A657-F659 VanDerWaalsContact C-N 3.32Å; A657-F659 PolarHBondContact O-N 2.98Å; A657-Y660 WeakPolarHBondContact O-CB 3.48Å; A657-Y660 PolarHBondContact O-N 2.98Å
658H90.6Very high88.9Confident150 Ų15066.8 Ų66.869%0.69435%0.347SS*.Hα-helixtrans-64.4-37175.7-176.170.8000112.3S654 F655 M656 Y660S654-H658 PolarHBondContact O-N 3.27Å; F655-H658 WeakPolarHBondContact O-CB 3.2Å; F655-H658 PolarHBondContact O-N 3.01Å; F655-H658 VanDerWaalsContact O-N 3.16Å; M656-H658 VanDerWaalsContact C-N 3.3Å; M656-H658 PolarHBondContact O-N 3.11Å; H658-Y660 VanDerWaalsContact C-N 3.34Å
659F91.1Very high87.5Confident131 Ų13166.8 Ų66.858%0.57534%0.341SS*.THydrogen-bonded Turntrans-88.7-0.4177.5-64.4-75000113.6F655 M656 A657 T661F655-F659 HydrophobicContact CD1-CD2 4.23Å; F655-F659 HydrophobicContact CD1-CE2 4.12Å; F655-F659 AromaticContact CD2-CE2 3.94Å; F655-F659 HydrophobicContact CD2-CE2 3.94Å; F655-F659 AromaticContact CE1-CD2 3.99Å; F655-F659 HydrophobicContact CE1-CD2 3.99Å; F655-F659 AromaticContact CE1-CE2 3.69Å; F655-F659 HydrophobicContact CE1-CE2 3.69Å; F655-F659 HydrophobicContact CE2-CD2 4.49Å; F655-F659 AromaticContact CE2-CE2 3.51Å; F655-F659 HydrophobicContact CE2-CE2 3.51Å; F655-F659 HydrophobicContact CE2-CZ 4.21Å; F655-F659 HydrophobicContact CG-CE2 4.24Å; F655-F659 HydrophobicContact CZ-CD2 4.14Å; F655-F659 AromaticContact CZ-CE2 3.36Å; F655-F659 HydrophobicContact CZ-CE2 3.36Å; F655-F659 HydrophobicContact CZ-CZ 4.11Å; F655-F659 VanDerWaalsContact O-CD2 3.22Å; F655-F659 WeakPolarHBondContact O-CD2 3.32Å; F655-F659 PolarHBondContact O-N 3.11Å; M656-F659 PolarHBondContact O-N 3.17Å; A657-F659 VanDerWaalsContact C-N 3.32Å; A657-F659 PolarHBondContact O-N 2.98Å; F659-T661 PolarHBondContact O-N 2.91Å
660Y89.9Confident86.5Confident29 Ų2972.4 Ų72.411%0.11436%0.363CS..PPolyproline II helixtrans-73.8129.7-179.5-173.5-98.6000111.4R268 V269 L272 L345 F596 Q600 M656 A657 H658 Y662R268-Y660 HydrophobicContact CB-CE2 4.27Å; V269-Y660 WeakPolarHBondContact CG2-OH 3.4Å; L272-Y660 HydrophobicContact CD1-CD1 4.19Å; L272-Y660 HydrophobicContact CD1-CD2 3.18Å; L272-Y660 HydrophobicContact CD1-CE1 4.38Å; L272-Y660 HydrophobicContact CD1-CE2 3.41Å; L272-Y660 VanDerWaalsContact CD1-CE2 3.41Å; L272-Y660 HydrophobicContact CD1-CG 3.59Å; L272-Y660 HydrophobicContact CD2-CD2 4.3Å; L272-Y660 HydrophobicContact CG-CD2 3.7Å; L272-Y660 HydrophobicContact CG-CE2 4.07Å; L272-Y660 HydrophobicContact CG-CG 4.38Å; L345-Y660 HydrophobicContact CD1-CD1 3.86Å; L345-Y660 HydrophobicContact CD1-CG 4.09Å; F596-Y660 HydrophobicContact CE2-CD1 4.49Å; F596-Y660 AromaticContact CE2-CE1 3.85Å; F596-Y660 HydrophobicContact CE2-CE1 3.85Å; F596-Y660 HydrophobicContact CZ-CD1 4.23Å; F596-Y660 AromaticContact CZ-CE1 3.55Å; F596-Y660 HydrophobicContact CZ-CE1 3.55Å; F596-Y660 HydrophobicContact CZ-CE2 4.47Å; F596-Y660 AromaticContact CZ-CZ 3.68Å; Q600-Y660 PolarHBondContact OE1-OH 2.75Å; M656-Y660 PolarHBondContact O-N 2.9Å; A657-Y660 WeakPolarHBondContact O-CB 3.48Å; A657-Y660 PolarHBondContact O-N 2.98Å; H658-Y660 VanDerWaalsContact C-N 3.34Å; Y660-Y662 HydrophobicContact CD1-CD2 4.22Å; Y660-Y662 HydrophobicContact CD1-CE2 4.26Å; Y660-Y662 HydrophobicContact CD1-CG 4.41Å; Y660-Y662 HydrophobicContact CE1-CD1 4.3Å; Y660-Y662 HydrophobicContact CE1-CG 4.28Å
661T85.4Confident85.2Confident83 Ų8377.8 Ų77.851%0.50939%0.389SS..PPolyproline II helixtrans-102.8116.7175.845.90000109.3R268 F659R268-T661 PolarHBondContact NH1-OG1 2.76Å; F659-T661 PolarHBondContact O-N 2.91Å
662Y84.8Confident83.8Confident110 Ų11075.6 Ų75.643%0.43137%0.37SS..PPolyproline II helixtrans-65.8134.1175.3-69.4-98.4000109.7L345 F596 Y660L345-Y662 HydrophobicContact CD1-CE2 4.45Å; L345-Y662 WeakPolarHBondContact CG-OH 3.26Å; F596-Y662 HydrophobicContact CD2-CE1 4.08Å; F596-Y662 HydrophobicContact CE2-CD1 4.14Å; F596-Y662 AromaticContact CE2-CE1 3.63Å; F596-Y662 HydrophobicContact CE2-CE1 3.63Å; Y660-Y662 HydrophobicContact CD1-CD2 4.22Å; Y660-Y662 HydrophobicContact CD1-CE2 4.26Å; Y660-Y662 HydrophobicContact CD1-CG 4.41Å; Y660-Y662 HydrophobicContact CE1-CD1 4.3Å; Y660-Y662 HydrophobicContact CE1-CG 4.28Å
663V82.4Confident82.1Confident33 Ų3373.8 Ų73.820%0.237%0.369CS..  trans-118.3130.9177.1-174.40000108.2M265 Q600 P665M265-V663 HydrophobicContact CE-CB 3.93Å; M265-V663 HydrophobicContact CE-CG1 3.57Å; M265-V663 HydrophobicContact CG-CB 4.44Å; M265-V663 HydrophobicContact CG-CG1 3.97Å; M265-V663 HydrophobicContact SD-CG1 3.71Å; Q600-V663 PolarHBondContact NE2-O 3.09Å; Q600-V663 VanDerWaalsContact NE2-O 3.1Å; Q600-V663 PolarHBondContact OE1-O 3.24Å; V663-P665 WeakPolarHBondContact O-CD 3.46Å
664D80.6Confident79.8Confident66 Ų6676.1 Ų76.135%0.35339%0.393SS..  trans-88.7111.7174.8-177.3-8000109.9E666 Q667 L668D664-E666 PolarHBondContact O-N 3.49Å; D664-E666 WeakPolarHBondContact OD1-CB 3.33Å; D664-E666 PolarHBondContact OD1-N 3.06Å; D664-Q667 HydrophobicContact CB-CB 4.17Å; D664-Q667 HydrophobicContact CB-CG 4.07Å; D664-Q667 PolarHBondContact O-N 2.84Å; D664-Q667 WeakPolarHBondContact OD2-CG 3.22Å; D664-L668 PolarHBondContact O-N 2.99Å
665P76.9Confident77.6Confident21 Ų2177.5 Ų77.514%0.13640%0.397CS..Hα-helixtrans-62-28.5179.4-1930.9000113.6M265 S599 V663 L668 S669M265-P665 HydrophobicContact CE-CB 4.13Å; M265-P665 HydrophobicContact CE-CG 3.86Å; S599-P665 WeakPolarHBondContact O-CD 3.39Å; S599-P665 VanDerWaalsContact O-CG 3.3Å; S599-P665 WeakPolarHBondContact O-CG 3.42Å; V663-P665 WeakPolarHBondContact O-CD 3.46Å; P665-L668 PolarHBondContact O-N 3.18Å; P665-S669 PolarHBondContact O-N 3.03Å; P665-S669 PolarHBondContact O-OG 2.97Å
666E74.6Confident75.1Confident117 Ų11774 Ų7455%0.54739%0.389SS..Hα-helixtrans-74-33.1-179.8-67.3-170.6-177.500112.3D664 S669 K670D664-E666 PolarHBondContact O-N 3.49Å; D664-E666 WeakPolarHBondContact OD1-CB 3.33Å; D664-E666 PolarHBondContact OD1-N 3.06Å; E666-S669 WeakPolarHBondContact CA-OG 3.24Å; E666-S669 PolarHBondContact O-OG 3.45Å; E666-K670 WeakPolarHBondContact O-CB 3.27Å; E666-K670 WeakPolarHBondContact O-CD 3.46Å; E666-K670 VanDerWaalsContact O-CG 3.24Å; E666-K670 WeakPolarHBondContact O-CG 3.3Å; E666-K670 PolarHBondContact O-N 2.87Å
667Q75.7Confident72.6Confident115 Ų11573.7 Ų73.754%0.53740%0.397SS..Hα-helixtrans-68.6-40.3172.9-72.71794.200111D664 K670 M671D664-Q667 HydrophobicContact CB-CB 4.17Å; D664-Q667 HydrophobicContact CB-CG 4.07Å; D664-Q667 PolarHBondContact O-N 2.84Å; D664-Q667 WeakPolarHBondContact OD2-CG 3.22Å; Q667-K670 PolarHBondContact O-N 3.3Å; Q667-M671 HydrophobicContact CB-CE 4.11Å; Q667-M671 WeakPolarHBondContact O-CE 3.25Å; Q667-M671 WeakPolarHBondContact O-CG 3.32Å; Q667-M671 PolarHBondContact O-N 2.85Å
668L73.8Confident70Confident23 Ų2379.5 Ų79.512%0.1242%0.419CS..Hα-helixtrans-63.7-44.4175.9-167.574.8000111.4Q261 E262 M265 D664 P665 K670 M671 Y672Q261-L668 HydrophobicContact CB-CD1 4.23Å; Q261-L668 HydrophobicContact CB-CD2 4Å; E262-L668 HydrophobicContact CG-CD2 4.36Å; M265-L668 HydrophobicContact CG-CD2 4.45Å; M265-L668 HydrophobicContact SD-CB 4.46Å; M265-L668 HydrophobicContact SD-CD2 3.34Å; M265-L668 WeakPolarHBondContact SD-CD2 3.33Å; M265-L668 HydrophobicContact SD-CG 4.43Å; D664-L668 PolarHBondContact O-N 2.99Å; P665-L668 PolarHBondContact O-N 3.18Å; L668-K670 VanDerWaalsContact C-N 3.34Å; L668-K670 PolarHBondContact O-N 3.37Å; L668-M671 PolarHBondContact O-N 3.26Å; L668-Y672 HydrophobicContact CD1-CD2 4.02Å; L668-Y672 HydrophobicContact CD1-CE2 3.63Å; L668-Y672 HydrophobicContact CG-CD2 4.1Å; L668-Y672 HydrophobicContact CG-CE2 4.2Å; L668-Y672 WeakPolarHBondContact O-CD2 3.34Å; L668-Y672 PolarHBondContact O-N 3.32Å
669S68.9Low67.6Low35 Ų3578.7 Ų78.725%0.24542%0.416CS..Hα-helixtrans-63.3-40.6178.368.70000111.8P665 E666 Y672 A673P665-S669 PolarHBondContact O-N 3.03Å; P665-S669 PolarHBondContact O-OG 2.97Å; E666-S669 WeakPolarHBondContact CA-OG 3.24Å; E666-S669 PolarHBondContact O-OG 3.45Å; S669-Y672 PolarHBondContact O-N 3.34Å; S669-A673 WeakPolarHBondContact O-CB 3.27Å; S669-A673 PolarHBondContact O-N 2.83Å
670K74.1Confident65.1Low144 Ų14479.6 Ų79.663%0.62642%0.422SS*.Hα-helixtrans-64-40.2175.2-74.6169.5-176165.60113E666 Q667 L668 Y672E666-K670 WeakPolarHBondContact O-CB 3.27Å; E666-K670 WeakPolarHBondContact O-CD 3.46Å; E666-K670 VanDerWaalsContact O-CG 3.24Å; E666-K670 WeakPolarHBondContact O-CG 3.3Å; E666-K670 PolarHBondContact O-N 2.87Å; Q667-K670 PolarHBondContact O-N 3.3Å; L668-K670 VanDerWaalsContact C-N 3.34Å; L668-K670 PolarHBondContact O-N 3.37Å; K670-Y672 VanDerWaalsContact C-N 3.31Å; K670-Y672 PolarHBondContact O-N 3.04Å
671M72.3Confident62.6Low123 Ų12385.1 Ų85.161%0.60645%0.448SS*.Hα-helixtrans-61.6-38.3177.6-80.1-176.3-100.200112.6Q667 L668Q667-M671 HydrophobicContact CB-CE 4.11Å; Q667-M671 WeakPolarHBondContact O-CE 3.25Å; Q667-M671 WeakPolarHBondContact O-CG 3.32Å; Q667-M671 PolarHBondContact O-N 2.85Å; L668-M671 PolarHBondContact O-N 3.26Å
672Y67.4Low60.3Low58 Ų5887.4 Ų87.423%0.22745%0.453CS..Hα-helixtrans-97.7-9-177.8-69.9-72.3000114.6K257 R258 Q261 L668 S669 K670 G674K257-Y672 HydrophobicContact CB-CE1 4.31Å; R258-Y672 HydrophobicContact CB-CG 4.33Å; Q261-Y672 HydrophobicContact CB-CE2 4.42Å; Q261-Y672 HydrophobicContact CG-CE2 4.03Å; L668-Y672 HydrophobicContact CD1-CD2 4.02Å; L668-Y672 HydrophobicContact CD1-CE2 3.63Å; L668-Y672 HydrophobicContact CG-CD2 4.1Å; L668-Y672 HydrophobicContact CG-CE2 4.2Å; L668-Y672 WeakPolarHBondContact O-CD2 3.34Å; L668-Y672 PolarHBondContact O-N 3.32Å; S669-Y672 PolarHBondContact O-N 3.34Å; K670-Y672 VanDerWaalsContact C-N 3.31Å; K670-Y672 PolarHBondContact O-N 3.04Å; Y672-G674 VanDerWaalsContact C-N 3.28Å
673A59.7Low58.3Low59 Ų5987.1 Ų87.149%0.48846%0.46SS..Hα-helixtrans-73-21.6168.800000112.6S669 S676S669-A673 WeakPolarHBondContact O-CB 3.27Å; S669-A673 PolarHBondContact O-N 2.83Å; A673-S676 PolarHBondContact O-OG 2.72Å
674G50Low56.4Low50 Ų5090.4 Ų90.452%0.51548%0.476SS..THydrogen-bonded Turntrans-80-19.8175.100000114.8Y672Y672-G674 VanDerWaalsContact C-N 3.28Å
675D49.8Very low54.4Low80 Ų8092.8 Ų92.843%0.42849%0.489SS..THydrogen-bonded Turntrans-82.6-32.1177.7-101.3-6.9000112G677 K678 E679D675-G677 PolarHBondContact O-N 2.97Å; D675-K678 PolarHBondContact O-N 3.42Å; D675-K678 VanDerWaalsContact O-N 3.11Å; D675-E679 PolarHBondContact O-N 2.92Å
676S43.1Very low52.7Low62 Ų6298.5 Ų98.543%0.43451%0.511SS..Hα-helixtrans-65-25.5178.548.60000113.8A673A673-S676 PolarHBondContact O-OG 2.72Å
677G40.6Very low51.1Low39 Ų3999.9 Ų99.940%0.40252%0.516SS..Hα-helixtrans-78.1-18.1175.200000114.2D675D675-G677 PolarHBondContact O-N 2.97Å
678K38.8Very low49.3Very low142 Ų142101.7 Ų101.762%0.61752%0.522SS*.Hα-helixtrans-94.5-32177.9-76.4-178.4176.4178.90112.7D675 E680 E681 E682D675-K678 PolarHBondContact O-N 3.42Å; D675-K678 VanDerWaalsContact O-N 3.11Å; K678-E680 VanDerWaalsContact C-N 3.33Å; K678-E681 PolarHBondContact O-N 3.45Å; K678-E682 PolarHBondContact O-N 3.16Å; K678-E682 VanDerWaalsContact O-N 3.16Å
679E40.3Very low47.6Very low133 Ų133109.6 Ų109.662%0.62156%0.555SS**Hα-helixtrans-68.6-31.6174.9-70.8-177.6169.300111.8D675 D683D675-E679 PolarHBondContact O-N 2.92Å; E679-D683 PolarHBondContact O-N 3.27Å
680E38.3Very low45.9Very low150 Ų150115.1 Ų115.170%0.70158%0.577SS**Hα-helixtrans-71.2-34.4173.6-73.1-177.5179.600113K678 D684K678-E680 VanDerWaalsContact C-N 3.33Å; E680-D684 PolarHBondContact O-N 3.21Å
681E36.5Very low44.1Very low144 Ų144115 Ų11567%0.67358%0.583SS**Hα-helixtrans-72.1-35.2175.8-74.6-175.6169.400112.5K678 D685K678-E681 PolarHBondContact O-N 3.45Å; E681-D685 PolarHBondContact O-N 3.16Å
682E38.8Very low42.4Very low131 Ų131116.1 Ų116.161%0.61259%0.591SS**Hα-helixtrans-73.3-28177.1-78.3-168.1179.800113.8K678 K686K678-E682 PolarHBondContact O-N 3.16Å; K678-E682 VanDerWaalsContact O-N 3.16Å; E682-K686 WeakPolarHBondContact O-CG 3.48Å; E682-K686 PolarHBondContact O-N 3.26Å
683D42.2Very low40.7Very low105 Ų105120 Ų12056%0.56162%0.615SS**Hα-helixtrans-79.6-29.8175.4-104.4-5.8000112.7E679 K687E679-D683 PolarHBondContact O-N 3.27Å; D683-K687 PolarHBondContact O-N 3.36Å; D683-K687 VanDerWaalsContact O-N 3.16Å
684D41.4Very low39.3Very low101 Ų101123 Ų12354%0.5463%0.629SS.*Hα-helixtrans-74-35174-111.72.9000112.4E680 K686 K687 K688E680-D684 PolarHBondContact O-N 3.21Å; D684-K686 VanDerWaalsContact C-N 3.34Å; D684-K687 PolarHBondContact O-N 3.11Å; D684-K688 PolarHBondContact O-N 3.38Å; D684-K688 VanDerWaalsContact O-N 3.11Å
685D39.8Very low38.6Very low117 Ų117128.5 Ų128.563%0.62665%0.646SS**Hα-helixtrans-72.4-25.8174.9-109.1-3.2000113E681E681-D685 PolarHBondContact O-N 3.16Å
686K40.8Very low37.6Very low141 Ų141130.7 Ų130.761%0.61366%0.658SS**Hα-helixtrans-78.5-30.4171.7-79.5176.7-174.81590113.1E682 D684E682-K686 WeakPolarHBondContact O-CG 3.48Å; E682-K686 PolarHBondContact O-N 3.26Å; D684-K686 VanDerWaalsContact C-N 3.34Å
687K41.5Very low36.9Very low146 Ų146135.9 Ų135.964%0.63568%0.675SS**Hα-helixtrans-71.5-38.7172.7-86.3175.1179.3166.40112.6D683 D684 K689 H690D683-K687 PolarHBondContact O-N 3.36Å; D683-K687 VanDerWaalsContact O-N 3.16Å; D684-K687 PolarHBondContact O-N 3.11Å; K687-K689 VanDerWaalsContact C-N 3.32Å; K687-K689 PolarHBondContact O-N 3.34Å; K687-H690 PolarHBondContact O-N 3.36Å
688K38.3Very low36.4Very low152 Ų152143.5 Ų143.566%0.66170%0.697SS**Hα-helixtrans-67.9-24.5177.8-82.2179.5-179.7166.50114.9D684D684-K688 PolarHBondContact O-N 3.38Å; D684-K688 VanDerWaalsContact O-N 3.11Å
689K36.4Very low35.9Very low190 Ų190144.9 Ų144.983%0.82671%0.705SS**THydrogen-bonded Turntrans-83.7-7.8177.7-87.6-178.7178.3170.60114.9K687K687-K689 VanDerWaalsContact C-N 3.32Å; K687-K689 PolarHBondContact O-N 3.34Å
690H34.6Very low35.3Very low151 Ų151144.1 Ų144.170%0.69971%0.71SS**SBendtrans-100.4-8.6-174.9-140.5-53.1000114.4K687K687-H690 PolarHBondContact O-N 3.36Å
691D35.3Very low34.7Very low142 Ų142141.9 Ų141.976%0.75971%0.711SS**SBendtrans-102.2-3.5-175.5-77.5-21.1000115.2
692D35.9Very low34.4Very low145 Ų145140.7 Ų140.778%0.77571%0.714SS**  trans-106.276.1175.2-76-29.7000111.7
693I32.2Very low34.1Very low141 Ų141143.7 Ų143.772%0.72373%0.725SS**  trans-124.7107.3159-57.5178000108
694P31.1Very low33.6Very low121 Ų121151.2 Ų151.279%0.78676%0.76SS**  trans-78.3128.1170.114.4-2.5000110.6
695L35Very low33.2Very low166 Ų166153.8 Ų153.887%0.86977%0.771SS**  trans-64.5123.2157.6-80.4141.2000109.4
696N28.4Very low32.8Very low126 Ų126155.7 Ų155.767%0.67478%0.778SS**  -178.1142.4120-114.69.4000115.5
697E29.8Very low32.4Very low170 Ų170156.5 Ų156.579%0.79479%0.788SS**  trans75.7127.4136.8-76.3169.9159.300124
698K29.9Very low31.8Very low199 Ų199157.1 Ų157.187%0.86580%0.797SS**  trans-46.5143.3158.9-67.1165169.4174.30112.2
699E26.9Very low31.4Very low171 Ų171157.4 Ų157.480%0.79981%0.805SS**  175.1146.8105-98.8-171.9168.200113.3
700T28.7Very low31.1Very low117 Ų117155.3 Ų155.372%0.71880%0.804SS**  trans60112.3147.252.40000123.2
701S26.2Very low30.9Very low104 Ų104155.6 Ų155.673%0.72781%0.811SS**  35.3126.9120.6-169.20000119.2
702T29.2Very low30.5Very low118 Ų118156.6 Ų156.672%0.72482%0.815SS**  173.2136.191.3-57.80000111.8
703K32.6Very low30.1Very low195 Ų195157.6 Ų157.685%0.84882%0.819SS**  trans-1.3135.7160-61.2174.1174177.70120.1
704M30.7Very low29.9Very low263 Ų263159.1 Ų159.1100%1.29683%0.827SS**  -146.5098-136.3176.4-17100110.5

Retrieved 704 of 704 residues in 2808 ms (Link to these results)

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