A0A087XMD8_POEFO Loading...

Signal transducer and activator of transcription

AlphaFold DB , UniProt , Accession A0A087XMD8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 750 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
1M58Low81.2Confident182 Ų18265.6 Ų65.690%0.89734%0.335SS*.  0139.70-73.1172.573.100107.4C5M1-C5 HydrophobicContact CE-CB 4.3Å
2A75.3Confident80.5Confident16 Ų1668.3 Ų68.313%0.13236%0.364CS..  trans-60.1146.1175.200000110.2W4 C5 Q6 R36 E39A2-W4 PolarHBondContact O-N 3.22Å; A2-C5 WeakPolarHBondContact O-CB 3.38Å; A2-C5 PolarHBondContact O-N 3.4Å; A2-Q6 PolarHBondContact O-N 3.43Å; A2-R36 HydrophobicContact CB-CG 4.47Å; A2-E39 WeakPolarHBondContact CA-OE2 3.19Å; A2-E39 VanDerWaalsContact CB-OE2 3.29Å; A2-E39 WeakPolarHBondContact CB-OE2 3.45Å
3Q87.1Confident79.9Confident27 Ų2771.2 Ų71.213%0.12637%0.371CS..Hα-helixtrans-52.8-39.7174.6177.3175.4-42.600110.4C5 Q6 L7 E39 L109 E112 L116Q3-C5 VanDerWaalsContact C-N 3.34Å; Q3-C5 PolarHBondContact O-N 3.31Å; Q3-Q6 WeakPolarHBondContact O-CB 3.42Å; Q3-Q6 PolarHBondContact O-N 3.47Å; Q3-Q6 VanDerWaalsContact O-N 3.1Å; Q3-L7 HydrophobicContact CG-CD1 4.47Å; Q3-L7 PolarHBondContact O-N 3.1Å; Q3-L7 VanDerWaalsContact O-N 3.1Å; Q3-E39 HydrophobicContact CB-CG 4.31Å; Q3-E39 VanDerWaalsContact N-CD 3.34Å; Q3-E39 PolarHBondContact N-OE1 2.9Å; Q3-E39 PolarHBondContact N-OE2 3.01Å; Q3-L109 PolarHBondContact NE2-O 3.5Å; Q3-L109 VanDerWaalsContact NE2-O 3.12Å; Q3-E112 PolarHBondContact NE2-OE2 3.45Å; Q3-L116 HydrophobicContact CG-CD1 3.84Å
4W89Confident79.8Confident7 Ų767.6 Ų67.63%0.02735%0.351CS..Hα-helixtrans-57.3-43.1175.5-166.2-115.6000113.9A2 Q6 L7 Q8 V18 Y22 M28 R31 Q32 E39 E112A2-W4 PolarHBondContact O-N 3.22Å; W4-Q6 VanDerWaalsContact C-N 3.26Å; W4-Q6 PolarHBondContact O-N 3.17Å; W4-L7 HydrophobicContact CE3-CD1 3.98Å; W4-L7 HydrophobicContact CZ3-CD1 4.34Å; W4-L7 PolarHBondContact O-N 3.33Å; W4-Q8 WeakPolarHBondContact O-CG 3.46Å; W4-Q8 PolarHBondContact O-N 3.31Å; W4-Q8 VanDerWaalsContact O-N 3.09Å; W4-V18 HydrophobicContact CH2-CG1 4.15Å; W4-V18 HydrophobicContact CZ3-CG1 3.93Å; W4-Y22 HydrophobicContact CH2-CE2 4.16Å; W4-Y22 AromaticContact CZ3-CE2 3.91Å; W4-Y22 HydrophobicContact CZ3-CE2 3.91Å; W4-M28 HydrophobicContact CH2-CE 3.39Å; W4-M28 HydrophobicContact CH2-CG 3.71Å; W4-M28 HydrophobicContact CH2-SD 4.31Å; W4-M28 HydrophobicContact CZ2-CE 3.81Å; W4-M28 HydrophobicContact CZ2-CG 4.02Å; W4-M28 HydrophobicContact CZ3-CE 4.49Å; W4-R31 HydrophobicContact CD2-CG 4.06Å; W4-R31 HydrophobicContact CE3-CG 3.53Å; W4-R31 HydrophobicContact CH2-CB 4.46Å; W4-R31 HydrophobicContact CH2-CG 3.72Å; W4-R31 HydrophobicContact CZ2-CG 4.27Å; W4-R31 HydrophobicContact CZ3-CB 4.49Å; W4-R31 HydrophobicContact CZ3-CG 3.35Å; W4-Q32 HydrophobicContact CZ2-CB 4.08Å; W4-E39 PolarHBondContact N-OE1 2.86Å; W4-E112 WeakPolarHBondContact CZ3-OE1 3.33Å
5C86Confident80Confident47 Ų4767.4 Ų67.432%0.31835%0.35SS..Hα-helixtrans-66.4-31.5178.7-640000111.7M1 A2 Q3 M9M1-C5 HydrophobicContact CE-CB 4.3Å; A2-C5 WeakPolarHBondContact O-CB 3.38Å; A2-C5 PolarHBondContact O-N 3.4Å; Q3-C5 VanDerWaalsContact C-N 3.34Å; Q3-C5 PolarHBondContact O-N 3.31Å; C5-M9 WeakPolarHBondContact O-CG 3.3Å
6Q85.4Confident79.8Confident73 Ų7370.4 Ų70.434%0.34136%0.362SS..Hα-helixtrans-70-40.8176.1-63179.92.500111A2 Q3 W4 Q8 M9 L116A2-Q6 PolarHBondContact O-N 3.43Å; Q3-Q6 WeakPolarHBondContact O-CB 3.42Å; Q3-Q6 PolarHBondContact O-N 3.47Å; Q3-Q6 VanDerWaalsContact O-N 3.1Å; W4-Q6 VanDerWaalsContact C-N 3.26Å; W4-Q6 PolarHBondContact O-N 3.17Å; Q6-Q8 VanDerWaalsContact C-N 3.34Å; Q6-Q8 PolarHBondContact O-N 2.92Å; Q6-M9 PolarHBondContact O-N 3.16Å; Q6-L116 HydrophobicContact CB-CD1 4.47Å; Q6-L116 HydrophobicContact CB-CD2 3.91Å
7L86.8Confident79.8Confident1 Ų171.5 Ų71.51%0.00537%0.365CS..Hα-helixtrans-62-40.6176.2-70.7165.4000112.4Q3 W4 M9 L10 L15 V18 E112 I115 L116Q3-L7 HydrophobicContact CG-CD1 4.47Å; Q3-L7 PolarHBondContact O-N 3.1Å; Q3-L7 VanDerWaalsContact O-N 3.1Å; W4-L7 HydrophobicContact CE3-CD1 3.98Å; W4-L7 HydrophobicContact CZ3-CD1 4.34Å; W4-L7 PolarHBondContact O-N 3.33Å; L7-M9 PolarHBondContact O-N 2.88Å; L7-M9 VanDerWaalsContact O-N 3.16Å; L7-L10 HydrophobicContact CD2-CD1 3.98Å; L7-L10 WeakPolarHBondContact O-CB 3.33Å; L7-L10 WeakPolarHBondContact O-CG 3.46Å; L7-L10 PolarHBondContact O-N 2.75Å; L7-L10 VanDerWaalsContact O-N 3.1Å; L7-L15 VanDerWaalsContact O-CD2 3.29Å; L7-L15 WeakPolarHBondContact O-CD2 3.42Å; L7-V18 HydrophobicContact CD2-CG2 3.89Å; L7-E112 HydrophobicContact CD1-CB 3.81Å; L7-E112 HydrophobicContact CD1-CG 3.52Å; L7-E112 WeakPolarHBondContact CD1-OE2 3.2Å; L7-E112 HydrophobicContact CD2-CB 4.48Å; L7-I115 HydrophobicContact CD2-CG2 4.36Å; L7-L116 HydrophobicContact CD2-CD1 4.12Å; L7-L116 HydrophobicContact CD2-CD2 3.89Å; L7-L116 HydrophobicContact CD2-CG 3.62Å; L7-L116 HydrophobicContact CG-CD1 4.19Å; L7-L116 HydrophobicContact CG-CD2 4.22Å; L7-L116 HydrophobicContact CG-CG 4.15Å
8Q85.7Confident80.1Confident98 Ų9867.6 Ų67.646%0.45835%0.345SS..THydrogen-bonded Turntrans-63.8-17.9178.9-73.2-176.6-25.600114W4 Q6W4-Q8 WeakPolarHBondContact O-CG 3.46Å; W4-Q8 PolarHBondContact O-N 3.31Å; W4-Q8 VanDerWaalsContact O-N 3.09Å; Q6-Q8 VanDerWaalsContact C-N 3.34Å; Q6-Q8 PolarHBondContact O-N 2.92Å
9M82.4Confident80.2Confident154 Ų15469.3 Ų69.376%0.75936%0.355SS*.THydrogen-bonded Turntrans-91.1-5.5178.3-62.2-62.5-61.500113.1C5 Q6 L7C5-M9 WeakPolarHBondContact O-CG 3.3Å; Q6-M9 PolarHBondContact O-N 3.16Å; L7-M9 PolarHBondContact O-N 2.88Å; L7-M9 VanDerWaalsContact O-N 3.16Å
10L82.6Confident80.3Confident21 Ų2171 Ų7111%0.1136%0.362CS..SBendtrans-76.1158.8179.7-60.6-177.9000112.1L7 Y14 L15 I115 L116 A119L7-L10 HydrophobicContact CD2-CD1 3.98Å; L7-L10 WeakPolarHBondContact O-CB 3.33Å; L7-L10 WeakPolarHBondContact O-CG 3.46Å; L7-L10 PolarHBondContact O-N 2.75Å; L7-L10 VanDerWaalsContact O-N 3.1Å; L10-Y14 HydrophobicContact CB-CD2 4.16Å; L10-Y14 HydrophobicContact CB-CG 4.43Å; L10-Y14 HydrophobicContact CD1-CG 4.24Å; L10-L15 WeakPolarHBondContact O-CD1 3.26Å; L10-I115 HydrophobicContact CD1-CG2 4.03Å; L10-L116 HydrophobicContact CD1-CD2 3.93Å; L10-L116 HydrophobicContact CD2-CD2 4.28Å; L10-L116 HydrophobicContact CG-CD2 4.3Å; L10-A119 HydrophobicContact CD1-CB 4.06Å; L10-A119 HydrophobicContact CD2-CB 3.62Å; L10-A119 HydrophobicContact CG-CB 4.44Å
11D75Confident80.4Confident96 Ų9669.5 Ų69.551%0.51335%0.354SS..  trans-55153171.3-72.7-28.8000112.7K13 Y14 L15D11-K13 HydrophobicContact CB-CG 4.02Å; D11-K13 PolarHBondContact O-N 3.4Å; D11-Y14 HydrophobicContact CB-CD2 4.13Å; D11-Y14 PolarHBondContact O-N 3.09Å; D11-L15 PolarHBondContact O-N 2.76Å
12S72.4Confident81.8Confident98 Ų9861.8 Ų61.869%0.68532%0.315SS*.Hα-helixtrans-52.2-32.5-179.759.20000114.1Y14 L15 E16S12-Y14 VanDerWaalsContact C-N 3.29Å; S12-Y14 PolarHBondContact O-N 3.11Å; S12-L15 PolarHBondContact O-N 2.94Å; S12-E16 PolarHBondContact O-N 3.31Å
13K72.9Confident82.1Confident105 Ų10565.5 Ų65.546%0.45733%0.333SS..Hα-helixtrans-61.3-34.3176.968.5-175.5-178.6177.40113.3D11D11-K13 HydrophobicContact CB-CG 4.02Å; D11-K13 PolarHBondContact O-N 3.4Å
14Y78.9Confident81.6Confident21 Ų2170.1 Ų70.18%0.08236%0.358CS..Hα-helixtrans-85.2-35.6177.6-62.8-66.3000110.9L10 D11 S12 E16 Q17 V18 I115 C118 A119 A122L10-Y14 HydrophobicContact CB-CD2 4.16Å; L10-Y14 HydrophobicContact CB-CG 4.43Å; L10-Y14 HydrophobicContact CD1-CG 4.24Å; D11-Y14 HydrophobicContact CB-CD2 4.13Å; D11-Y14 PolarHBondContact O-N 3.09Å; S12-Y14 VanDerWaalsContact C-N 3.29Å; S12-Y14 PolarHBondContact O-N 3.11Å; Y14-E16 VanDerWaalsContact C-N 3.26Å; Y14-E16 PolarHBondContact O-N 3.41Å; Y14-Q17 WeakPolarHBondContact O-CB 3.3Å; Y14-Q17 PolarHBondContact O-N 2.93Å; Y14-V18 WeakPolarHBondContact O-CG2 3.35Å; Y14-V18 PolarHBondContact O-N 3.4Å; Y14-I115 HydrophobicContact CD1-CG2 4Å; Y14-I115 HydrophobicContact CG-CG2 4.31Å; Y14-C118 PolarHBondContact OH-O 3.34Å; Y14-A119 HydrophobicContact CD1-CB 4.23Å; Y14-A119 HydrophobicContact CD2-CB 3.86Å; Y14-A119 HydrophobicContact CE1-CB 4.02Å; Y14-A119 HydrophobicContact CE2-CB 3.59Å; Y14-A119 HydrophobicContact CG-CB 4.17Å; Y14-A119 VanDerWaalsContact CZ-CA 3.46Å; Y14-A122 WeakPolarHBondContact OH-CB 3.49Å
15L82Confident81.1Confident65 Ų6570.7 Ų70.734%0.3436%0.364SS..Hα-helixtrans-60.7-35.7173.9-69.9169000112.1L7 L10 D11 S12 Q17 V18 D19L7-L15 VanDerWaalsContact O-CD2 3.29Å; L7-L15 WeakPolarHBondContact O-CD2 3.42Å; L10-L15 WeakPolarHBondContact O-CD1 3.26Å; D11-L15 PolarHBondContact O-N 2.76Å; S12-L15 PolarHBondContact O-N 2.94Å; L15-Q17 VanDerWaalsContact C-N 3.31Å; L15-Q17 PolarHBondContact O-N 3.45Å; L15-V18 WeakPolarHBondContact O-CB 3.48Å; L15-V18 PolarHBondContact O-N 3.17Å; L15-D19 PolarHBondContact O-N 3.05Å
16E77.9Confident81.1Confident115 Ų11568.6 Ų68.654%0.53735%0.349SS..Hα-helixtrans-65.8-33173.6-169.8172.4-171.100112.5S12 Y14 D19 Q20S12-E16 PolarHBondContact O-N 3.31Å; Y14-E16 VanDerWaalsContact C-N 3.26Å; Y14-E16 PolarHBondContact O-N 3.41Å; E16-D19 PolarHBondContact O-N 2.96Å; E16-Q20 WeakPolarHBondContact O-CG 3.39Å; E16-Q20 PolarHBondContact O-N 3.43Å
17Q78.6Confident81.3Confident89 Ų8965.9 Ų65.942%0.41634%0.338SS..Hα-helixtrans-69.1-39.3172.2-64.1177.619.300111.3Y14 L15 Q20 L21 I115Y14-Q17 WeakPolarHBondContact O-CB 3.3Å; Y14-Q17 PolarHBondContact O-N 2.93Å; L15-Q17 VanDerWaalsContact C-N 3.31Å; L15-Q17 PolarHBondContact O-N 3.45Å; Q17-Q20 PolarHBondContact O-N 3.33Å; Q17-L21 PolarHBondContact O-N 3.09Å; Q17-I115 HydrophobicContact CB-CD1 3.83Å; Q17-I115 HydrophobicContact CB-CG1 4.37Å
18V85.9Confident81.5Confident2 Ų268.7 Ų68.71%0.01235%0.351CS..Hα-helixtrans-62-44.2174.4178.60000110.5W4 L7 Y14 L15 Q20 L21 Y22 M28 I115W4-V18 HydrophobicContact CH2-CG1 4.15Å; W4-V18 HydrophobicContact CZ3-CG1 3.93Å; L7-V18 HydrophobicContact CD2-CG2 3.89Å; Y14-V18 WeakPolarHBondContact O-CG2 3.35Å; Y14-V18 PolarHBondContact O-N 3.4Å; L15-V18 WeakPolarHBondContact O-CB 3.48Å; L15-V18 PolarHBondContact O-N 3.17Å; V18-Q20 PolarHBondContact O-N 3.24Å; V18-L21 WeakPolarHBondContact O-CB 3.44Å; V18-L21 PolarHBondContact O-N 2.9Å; V18-Y22 HydrophobicContact CG1-CD2 4.27Å; V18-Y22 HydrophobicContact CG1-CE2 3.98Å; V18-Y22 VanDerWaalsContact O-CD2 3.3Å; V18-Y22 WeakPolarHBondContact O-CD2 3.37Å; V18-M28 HydrophobicContact CG1-CE 4.08Å; V18-I115 HydrophobicContact CG2-CD1 3.93Å; V18-I115 HydrophobicContact CG2-CG2 4.42Å
19D82.9Confident81.6Confident99 Ų9966.4 Ų66.453%0.52934%0.343SS..Hα-helixtrans-57.6-38177.2-171.258.3000112L15 E16 L21 Y22L15-D19 PolarHBondContact O-N 3.05Å; E16-D19 PolarHBondContact O-N 2.96Å; D19-L21 PolarHBondContact O-N 2.93Å; D19-Y22 PolarHBondContact O-N 3.13Å
20Q80.8Confident82Confident104 Ų10459.1 Ų59.149%0.48631%0.306SS..Hα-helixtrans-68.8-16.5177.4-69.1173.318.600114.5E16 Q17 V18E16-Q20 WeakPolarHBondContact O-CG 3.39Å; E16-Q20 PolarHBondContact O-N 3.43Å; Q17-Q20 PolarHBondContact O-N 3.33Å; V18-Q20 PolarHBondContact O-N 3.24Å
21L83.2Confident82.3Confident39 Ų3958.1 Ų58.120%0.20430%0.301CS..Hα-helixtrans-80.2-23.9177.4-63.4176.5000113Q17 V18 D19 N108 E111 E112 I115Q17-L21 PolarHBondContact O-N 3.09Å; V18-L21 WeakPolarHBondContact O-CB 3.44Å; V18-L21 PolarHBondContact O-N 2.9Å; D19-L21 PolarHBondContact O-N 2.93Å; L21-N108 PolarHBondContact O-ND2 3.48Å; L21-E111 HydrophobicContact CD1-CB 3.82Å; L21-E111 HydrophobicContact CD2-CB 3.75Å; L21-E111 HydrophobicContact CD2-CG 4.15Å; L21-E111 HydrophobicContact CG-CB 4.47Å; L21-E112 HydrophobicContact CD1-CG 4.14Å; L21-I115 HydrophobicContact CD1-CD1 3.84Å
22Y87.4Confident83.1Confident21 Ų2157.3 Ų57.38%0.08229%0.294CS..  trans-106.4124.9-174.2-66.9-77.3000110.6W4 V18 D19 F26 M28 R31 E112W4-Y22 HydrophobicContact CH2-CE2 4.16Å; W4-Y22 AromaticContact CZ3-CE2 3.91Å; W4-Y22 HydrophobicContact CZ3-CE2 3.91Å; V18-Y22 HydrophobicContact CG1-CD2 4.27Å; V18-Y22 HydrophobicContact CG1-CE2 3.98Å; V18-Y22 VanDerWaalsContact O-CD2 3.3Å; V18-Y22 WeakPolarHBondContact O-CD2 3.37Å; D19-Y22 PolarHBondContact O-N 3.13Å; Y22-F26 HydrophobicContact CD1-CD1 4.11Å; Y22-F26 WeakPolarHBondContact CD1-O 3.36Å; Y22-F26 AromaticContact CE1-CD1 3.9Å; Y22-F26 HydrophobicContact CE1-CD1 3.9Å; Y22-F26 HydrophobicContact CE1-CE1 4.27Å; Y22-M28 HydrophobicContact CD1-CB 4.42Å; Y22-M28 HydrophobicContact CD2-CB 4.49Å; Y22-M28 HydrophobicContact CD2-CG 4.07Å; Y22-M28 HydrophobicContact CG-CB 3.98Å; Y22-M28 HydrophobicContact CG-CG 4.06Å; Y22-R31 HydrophobicContact CD1-CB 4.29Å; Y22-R31 HydrophobicContact CE1-CB 3.61Å; Y22-R31 HydrophobicContact CE1-CG 3.79Å; Y22-R31 HydrophobicContact CE2-CG 4.23Å; Y22-R31 WeakPolarHBondContact OH-CD 3.49Å; Y22-R31 VanDerWaalsContact OH-CG 3.22Å; Y22-R31 WeakPolarHBondContact OH-CG 3.47Å; Y22-R31 PolarHBondContact OH-NE 2.75Å; Y22-E112 PolarHBondContact OH-OE1 3.33Å
23D80.8Confident83.9Confident93 Ų9356.3 Ų56.350%0.49728%0.276SS..  trans-136.9-172.2177.8677000110.2S25 F26D23-S25 PolarHBondContact O-N 2.92Å; D23-S25 WeakPolarHBondContact OD1-CA 3.38Å; D23-S25 WeakPolarHBondContact OD1-CB 3.31Å; D23-S25 PolarHBondContact OD1-N 3.48Å; D23-S25 PolarHBondContact OD1-OG 3.04Å; D23-F26 CarbonylContact O-C 3.48Å; D23-F26 PolarHBondContact O-N 3.49Å; D23-F26 VanDerWaalsContact O-N 3.13Å
24D77.6Confident84.8Confident124 Ų12451.5 Ų51.566%0.66326%0.256SS*.THydrogen-bonded Turntrans-63-10.6177.8-71.9-26000113.7
25S78.9Confident85.4Confident20 Ų2051.2 Ų51.214%0.1426%0.256CS..THydrogen-bonded Turntrans-74.9-39.7173.378.90000111.7D23 F94D23-S25 PolarHBondContact O-N 2.92Å; D23-S25 WeakPolarHBondContact OD1-CA 3.38Å; D23-S25 WeakPolarHBondContact OD1-CB 3.31Å; D23-S25 PolarHBondContact OD1-N 3.48Å; D23-S25 PolarHBondContact OD1-OG 3.04Å; S25-F94 WeakPolarHBondContact O-CE2 3.09Å; S25-F94 VanDerWaalsContact O-CZ 3.31Å; S25-F94 WeakPolarHBondContact O-CZ 2.9Å
26F86Confident85.7Confident3 Ų358 Ų581%0.01328%0.277CS..SBendtrans-141.796.7173.1-168.6-99000109.4Y22 D23 I30 R31 I38 L60 I104 I105Y22-F26 HydrophobicContact CD1-CD1 4.11Å; Y22-F26 WeakPolarHBondContact CD1-O 3.36Å; Y22-F26 AromaticContact CE1-CD1 3.9Å; Y22-F26 HydrophobicContact CE1-CD1 3.9Å; Y22-F26 HydrophobicContact CE1-CE1 4.27Å; D23-F26 CarbonylContact O-C 3.48Å; D23-F26 PolarHBondContact O-N 3.49Å; D23-F26 VanDerWaalsContact O-N 3.13Å; F26-I30 HydrophobicContact CE1-CB 4.46Å; F26-I30 HydrophobicContact CE2-CD1 4.22Å; F26-I30 HydrophobicContact CE2-CG2 4.28Å; F26-I30 HydrophobicContact CZ-CB 4.17Å; F26-I30 HydrophobicContact CZ-CG2 3.85Å; F26-R31 HydrophobicContact CE1-CB 4.36Å; F26-I38 HydrophobicContact CE1-CD1 4.4Å; F26-I38 HydrophobicContact CZ-CD1 4Å; F26-L60 HydrophobicContact CE2-CD2 4.44Å; F26-I104 HydrophobicContact CB-CG2 3.87Å; F26-I105 HydrophobicContact CD2-CD1 4.4Å; F26-I105 HydrophobicContact CD2-CG1 4.03Å; F26-I105 HydrophobicContact CE1-CG1 4.31Å; F26-I105 HydrophobicContact CE2-CD1 3.65Å; F26-I105 HydrophobicContact CE2-CG1 3.62Å; F26-I105 HydrophobicContact CZ-CD1 3.95Å; F26-I105 HydrophobicContact CZ-CG1 3.77Å
27P88.3Confident86.4Confident16 Ų1654.8 Ų54.810%0.10426%0.26CS..  trans-62.8138.4-172.8-26.635.4000114D29 I30 I86P27-D29 PolarHBondContact O-N 2.99Å; P27-I30 HydrophobicContact CB-CG1 4.35Å; P27-I30 HydrophobicContact CG-CD1 4.43Å; P27-I30 WeakPolarHBondContact O-CB 3.49Å; P27-I30 PolarHBondContact O-N 3.44Å; P27-I30 VanDerWaalsContact O-N 3.08Å; P27-I86 HydrophobicContact CB-CD1 4.19Å; P27-I86 HydrophobicContact CB-CG1 4.27Å; P27-I86 HydrophobicContact CB-CG2 4.49Å; P27-I86 HydrophobicContact CG-CG1 4.16Å; P27-I86 HydrophobicContact CG-CG2 4.1Å
28M90.4Very high87.1Confident59 Ų5950.6 Ų50.629%0.29124%0.241SC..Hα-helixtrans-58.6-29.9178.2-162.9-173-155.600112.6W4 V18 Y22 I30 R31 Q32W4-M28 HydrophobicContact CH2-CE 3.39Å; W4-M28 HydrophobicContact CH2-CG 3.71Å; W4-M28 HydrophobicContact CH2-SD 4.31Å; W4-M28 HydrophobicContact CZ2-CE 3.81Å; W4-M28 HydrophobicContact CZ2-CG 4.02Å; W4-M28 HydrophobicContact CZ3-CE 4.49Å; V18-M28 HydrophobicContact CG1-CE 4.08Å; Y22-M28 HydrophobicContact CD1-CB 4.42Å; Y22-M28 HydrophobicContact CD2-CB 4.49Å; Y22-M28 HydrophobicContact CD2-CG 4.07Å; Y22-M28 HydrophobicContact CG-CB 3.98Å; Y22-M28 HydrophobicContact CG-CG 4.06Å; M28-I30 VanDerWaalsContact C-N 3.28Å; M28-I30 PolarHBondContact O-N 3.44Å; M28-R31 WeakPolarHBondContact O-CB 3.46Å; M28-R31 PolarHBondContact O-N 3.3Å; M28-R31 VanDerWaalsContact O-N 3.11Å; M28-Q32 WeakPolarHBondContact O-CB 3.46Å; M28-Q32 PolarHBondContact O-N 3.44Å
29D88.5Confident87.4Confident51 Ų5153.1 Ų53.127%0.27325%0.252SS..Hα-helixtrans-57.1-41.1175.8-57.6-99.1000111.9P27 Q32 Y33 F83 I86P27-D29 PolarHBondContact O-N 2.99Å; D29-Q32 PolarHBondContact O-N 3.11Å; D29-Y33 VanDerWaalsContact O-CD2 3.29Å; D29-Y33 WeakPolarHBondContact O-CD2 3.45Å; D29-Y33 PolarHBondContact O-N 2.85Å; D29-F83 HydrophobicContact CB-CE2 4.09Å; D29-F83 HydrophobicContact CB-CZ 4.31Å; D29-I86 HydrophobicContact CB-CD1 3.76Å
30I90.1Very high87.8Confident0 Ų052.7 Ų52.70%026%0.257CS..Hα-helixtrans-63.5-48.1176.4-51.7-178.8000109.3F26 P27 M28 Q32 L34 I38 L60 L64 I86 L90F26-I30 HydrophobicContact CE1-CB 4.46Å; F26-I30 HydrophobicContact CE2-CD1 4.22Å; F26-I30 HydrophobicContact CE2-CG2 4.28Å; F26-I30 HydrophobicContact CZ-CB 4.17Å; F26-I30 HydrophobicContact CZ-CG2 3.85Å; P27-I30 HydrophobicContact CB-CG1 4.35Å; P27-I30 HydrophobicContact CG-CD1 4.43Å; P27-I30 WeakPolarHBondContact O-CB 3.49Å; P27-I30 PolarHBondContact O-N 3.44Å; P27-I30 VanDerWaalsContact O-N 3.08Å; M28-I30 VanDerWaalsContact C-N 3.28Å; M28-I30 PolarHBondContact O-N 3.44Å; I30-Q32 VanDerWaalsContact C-N 3.26Å; I30-Q32 PolarHBondContact O-N 3.49Å; I30-L34 HydrophobicContact CG2-CD1 3.95Å; I30-L34 WeakPolarHBondContact O-CA 3.33Å; I30-L34 VanDerWaalsContact O-CB 3.3Å; I30-L34 WeakPolarHBondContact O-CB 3.47Å; I30-L34 PolarHBondContact O-N 3.34Å; I30-I38 HydrophobicContact CG2-CD1 4.12Å; I30-L60 HydrophobicContact CG2-CD1 3.85Å; I30-L64 HydrophobicContact CG1-CD2 4.35Å; I30-L64 HydrophobicContact CG2-CD2 4.45Å; I30-I86 HydrophobicContact CD1-CG2 3.48Å; I30-I86 VanDerWaalsContact CD1-CG2 3.48Å; I30-I86 HydrophobicContact CG1-CG2 3.56Å; I30-L90 HydrophobicContact CD1-CD1 3.24Å; I30-L90 HydrophobicContact CD1-CD2 4.12Å; I30-L90 HydrophobicContact CD1-CG 4Å
31R90.8Very high88.2Confident1 Ų148.9 Ų48.90%0.00424%0.24CC..Hα-helixtrans-57-41178.9175.967.1-176.9103.2-6.6112W4 Y22 F26 M28 S35 E39 E112W4-R31 HydrophobicContact CD2-CG 4.06Å; W4-R31 HydrophobicContact CE3-CG 3.53Å; W4-R31 HydrophobicContact CH2-CB 4.46Å; W4-R31 HydrophobicContact CH2-CG 3.72Å; W4-R31 HydrophobicContact CZ2-CG 4.27Å; W4-R31 HydrophobicContact CZ3-CB 4.49Å; W4-R31 HydrophobicContact CZ3-CG 3.35Å; Y22-R31 HydrophobicContact CD1-CB 4.29Å; Y22-R31 HydrophobicContact CE1-CB 3.61Å; Y22-R31 HydrophobicContact CE1-CG 3.79Å; Y22-R31 HydrophobicContact CE2-CG 4.23Å; Y22-R31 WeakPolarHBondContact OH-CD 3.49Å; Y22-R31 VanDerWaalsContact OH-CG 3.22Å; Y22-R31 WeakPolarHBondContact OH-CG 3.47Å; Y22-R31 PolarHBondContact OH-NE 2.75Å; F26-R31 HydrophobicContact CE1-CB 4.36Å; M28-R31 WeakPolarHBondContact O-CB 3.46Å; M28-R31 PolarHBondContact O-N 3.3Å; M28-R31 VanDerWaalsContact O-N 3.11Å; R31-S35 VanDerWaalsContact NH1-CA 3.3Å; R31-S35 WeakPolarHBondContact O-CA 3.4Å; R31-S35 WeakPolarHBondContact O-CB 3.44Å; R31-S35 PolarHBondContact O-N 2.97Å; R31-S35 VanDerWaalsContact O-N 3.14Å; R31-E39 IonicContact CZ-OE1 3.91Å; R31-E39 VanDerWaalsContact CZ-OE1 3.26Å; R31-E39 IonicContact NH1-OE1 2.7Å; R31-E39 PolarHBondContact NH1-OE1 2.84Å; R31-E39 IonicContact NH2-OE1 3.59Å; R31-E39 PolarHBondContact NH2-OE1 3.04Å; R31-E112 IonicContact CZ-OE1 3.92Å; R31-E112 IonicContact CZ-OE2 3.71Å; R31-E112 IonicContact NE-OE1 3.25Å; R31-E112 PolarHBondContact NE-OE1 2.98Å; R31-E112 IonicContact NE-OE2 3.18Å; R31-E112 PolarHBondContact NE-OE2 3.18Å; R31-E112 IonicContact NH2-OE1 2.88Å; R31-E112 IonicContact NH2-OE2 3.97Å; R31-E112 PolarHBondContact NH2-OE2 3.12Å
32Q90.6Very high88.6Confident78 Ų7851.4 Ų51.436%0.36425%0.254SS..Hα-helixtrans-71.1-56.8-178.1174.9171.9-27.600112W4 M28 D29 I30 S35W4-Q32 HydrophobicContact CZ2-CB 4.08Å; M28-Q32 WeakPolarHBondContact O-CB 3.46Å; M28-Q32 PolarHBondContact O-N 3.44Å; D29-Q32 PolarHBondContact O-N 3.11Å; I30-Q32 VanDerWaalsContact C-N 3.26Å; I30-Q32 PolarHBondContact O-N 3.49Å; Q32-S35 PolarHBondContact O-OG 2.64Å
33Y89.8Confident88.8Confident77 Ų7750.7 Ų50.730%0.30225%0.251SS..Hα-helixtrans-77-28.4-172.4-73.7-79.2000113.2D29 F71 F83D29-Y33 VanDerWaalsContact O-CD2 3.29Å; D29-Y33 WeakPolarHBondContact O-CD2 3.45Å; D29-Y33 PolarHBondContact O-N 2.85Å; Y33-F71 HydrophobicContact CD1-CE1 4.15Å; Y33-F71 AromaticContact CD1-CZ 3.64Å; Y33-F71 HydrophobicContact CD1-CZ 3.64Å; Y33-F71 HydrophobicContact CD2-CZ 4.26Å; Y33-F71 AromaticContact CE1-CE1 3.66Å; Y33-F71 HydrophobicContact CE1-CE1 3.66Å; Y33-F71 AromaticContact CE1-CZ 3.48Å; Y33-F71 HydrophobicContact CE1-CZ 3.48Å; Y33-F71 VanDerWaalsContact CE1-CZ 3.48Å; Y33-F71 HydrophobicContact CE2-CZ 4.12Å; Y33-F71 HydrophobicContact CG-CZ 4.03Å; Y33-F71 AromaticContact CZ-CZ 3.72Å; Y33-F83 AromaticContact CD2-CE2 3.66Å; Y33-F83 HydrophobicContact CD2-CE2 3.66Å; Y33-F83 AromaticContact CD2-CZ 3.44Å; Y33-F83 HydrophobicContact CD2-CZ 3.44Å; Y33-F83 VanDerWaalsContact CD2-CZ 3.44Å; Y33-F83 AromaticContact CE2-CE2 3.97Å; Y33-F83 HydrophobicContact CE2-CE2 3.97Å; Y33-F83 HydrophobicContact CE2-CZ 4.22Å; Y33-F83 HydrophobicContact CG-CE2 4.32Å; Y33-F83 AromaticContact CG-CZ 3.79Å; Y33-F83 HydrophobicContact CG-CZ 3.79Å
34L91.1Very high89.1Confident5 Ų549.5 Ų49.53%0.02625%0.245CC..THydrogen-bonded Turntrans-105.217.2176.7-58.4179.3000112.9I30 R36 W37 I38 L60 Q63 L64 Q67I30-L34 HydrophobicContact CG2-CD1 3.95Å; I30-L34 WeakPolarHBondContact O-CA 3.33Å; I30-L34 VanDerWaalsContact O-CB 3.3Å; I30-L34 WeakPolarHBondContact O-CB 3.47Å; I30-L34 PolarHBondContact O-N 3.34Å; L34-R36 VanDerWaalsContact C-N 3.32Å; L34-R36 PolarHBondContact O-N 3.43Å; L34-W37 PolarHBondContact O-N 3.46Å; L34-I38 HydrophobicContact CB-CD1 4.1Å; L34-I38 HydrophobicContact CB-CG1 4.24Å; L34-I38 WeakPolarHBondContact O-CG1 3.44Å; L34-I38 PolarHBondContact O-N 3.35Å; L34-L60 HydrophobicContact CD1-CD1 3.59Å; L34-Q63 HydrophobicContact CD1-CB 3.79Å; L34-Q63 HydrophobicContact CD2-CB 3.82Å; L34-Q63 HydrophobicContact CG-CB 4.47Å; L34-L64 HydrophobicContact CD1-CD2 3.83Å; L34-L64 HydrophobicContact CD1-CG 4.19Å; L34-Q67 HydrophobicContact CD2-CG 3.51Å; L34-Q67 HydrophobicContact CG-CG 4.35Å
35S91.4Very high89.6Confident14 Ų1446.5 Ų46.510%0.09823%0.231CC..Hα-helixtrans-47.2-49.9-176.246.30000113.9R31 Q32 W37 I38 E39R31-S35 VanDerWaalsContact NH1-CA 3.3Å; R31-S35 WeakPolarHBondContact O-CA 3.4Å; R31-S35 WeakPolarHBondContact O-CB 3.44Å; R31-S35 PolarHBondContact O-N 2.97Å; R31-S35 VanDerWaalsContact O-N 3.14Å; Q32-S35 PolarHBondContact O-OG 2.64Å; S35-W37 VanDerWaalsContact C-N 3.33Å; S35-W37 PolarHBondContact O-N 2.97Å; S35-I38 PolarHBondContact O-N 3.08Å; S35-E39 VanDerWaalsContact O-CB 3.31Å; S35-E39 WeakPolarHBondContact O-CB 2.89Å; S35-E39 WeakPolarHBondContact O-CG 3.4Å; S35-E39 PolarHBondContact O-N 3.49Å
36R89.6Confident90.1Very high208 Ų20845.6 Ų45.679%0.78523%0.225SC*.Hα-helixtrans-65-34.7-179.3-64.4-177.3-176.5169.51.5113.6A2 L34 S40A2-R36 HydrophobicContact CB-CG 4.47Å; L34-R36 VanDerWaalsContact C-N 3.32Å; L34-R36 PolarHBondContact O-N 3.43Å; R36-S40 PolarHBondContact O-N 3.3Å
37W92.9Very high90.2Very high47 Ų4746.4 Ų46.418%0.17823%0.232CC..Hα-helixtrans-77.7-41.4-180178.986.3000111L34 S35 E39 S40 I41 W43 D59 L60 Q63L34-W37 PolarHBondContact O-N 3.46Å; S35-W37 VanDerWaalsContact C-N 3.33Å; S35-W37 PolarHBondContact O-N 2.97Å; W37-E39 VanDerWaalsContact C-N 3.34Å; W37-E39 PolarHBondContact O-N 3.45Å; W37-S40 PolarHBondContact O-N 3.4Å; W37-S40 PolarHBondContact O-OG 3.01Å; W37-I41 HydrophobicContact CD2-CD1 3.81Å; W37-I41 VanDerWaalsContact CE2-CD1 3.49Å; W37-I41 HydrophobicContact CE3-CD1 3.93Å; W37-I41 HydrophobicContact CH2-CD1 3.44Å; W37-I41 VanDerWaalsContact CH2-CD1 3.44Å; W37-I41 HydrophobicContact CZ2-CD1 3.31Å; W37-I41 HydrophobicContact CZ3-CD1 3.74Å; W37-I41 WeakPolarHBondContact O-CD1 3.49Å; W37-W43 HydrophobicContact CH2-CH2 4.11Å; W37-W43 HydrophobicContact CH2-CZ2 4.22Å; W37-W43 HydrophobicContact CZ3-CH2 4.11Å; W37-W43 AromaticContact CZ3-CZ2 3.89Å; W37-W43 HydrophobicContact CZ3-CZ2 3.89Å; W37-D59 HydrophobicContact CH2-CB 4.27Å; W37-D59 HydrophobicContact CZ2-CB 3.6Å; W37-L60 HydrophobicContact CE3-CD1 4.22Å; W37-L60 HydrophobicContact CH2-CB 3.67Å; W37-L60 HydrophobicContact CH2-CD1 4.32Å; W37-L60 HydrophobicContact CZ3-CB 3.86Å; W37-L60 HydrophobicContact CZ3-CD1 3.62Å; W37-L60 HydrophobicContact CZ3-CG 4.29Å; W37-Q63 HydrophobicContact CD2-CG 3.82Å; W37-Q63 HydrophobicContact CE3-CG 4.44Å; W37-Q63 HydrophobicContact CG-CG 3.98Å; W37-Q63 HydrophobicContact CZ2-CG 4.28Å
38I91.9Very high90.1Very high1 Ų151.3 Ų51.31%0.00526%0.261CS..Hα-helixtrans-62.3-45175.7-67.2169.9000110.2F26 I30 L34 S35 S40 I41 W43 I105 L109F26-I38 HydrophobicContact CE1-CD1 4.4Å; F26-I38 HydrophobicContact CZ-CD1 4Å; I30-I38 HydrophobicContact CG2-CD1 4.12Å; L34-I38 HydrophobicContact CB-CD1 4.1Å; L34-I38 HydrophobicContact CB-CG1 4.24Å; L34-I38 WeakPolarHBondContact O-CG1 3.44Å; L34-I38 PolarHBondContact O-N 3.35Å; S35-I38 PolarHBondContact O-N 3.08Å; I38-S40 VanDerWaalsContact C-N 3.25Å; I38-S40 PolarHBondContact O-N 3.25Å; I38-I41 PolarHBondContact O-N 2.82Å; I38-W43 PolarHBondContact O-NE1 3.44Å; I38-I105 HydrophobicContact CG2-CG2 3.73Å; I38-L109 HydrophobicContact CG2-CD1 4.06Å; I38-L109 HydrophobicContact CG2-CD2 4.31Å
39E92Very high90Very high55 Ų5553.1 Ų53.126%0.25727%0.269SS..THydrogen-bonded Turntrans-71.1-16.2-178.1-70.1167.8-155.800113.9A2 Q3 W4 R31 S35 W37 I41 L109A2-E39 WeakPolarHBondContact CA-OE2 3.19Å; A2-E39 VanDerWaalsContact CB-OE2 3.29Å; A2-E39 WeakPolarHBondContact CB-OE2 3.45Å; Q3-E39 HydrophobicContact CB-CG 4.31Å; Q3-E39 VanDerWaalsContact N-CD 3.34Å; Q3-E39 PolarHBondContact N-OE1 2.9Å; Q3-E39 PolarHBondContact N-OE2 3.01Å; W4-E39 PolarHBondContact N-OE1 2.86Å; R31-E39 IonicContact CZ-OE1 3.91Å; R31-E39 VanDerWaalsContact CZ-OE1 3.26Å; R31-E39 IonicContact NH1-OE1 2.7Å; R31-E39 PolarHBondContact NH1-OE1 2.84Å; R31-E39 IonicContact NH2-OE1 3.59Å; R31-E39 PolarHBondContact NH2-OE1 3.04Å; S35-E39 VanDerWaalsContact O-CB 3.31Å; S35-E39 WeakPolarHBondContact O-CB 2.89Å; S35-E39 WeakPolarHBondContact O-CG 3.4Å; S35-E39 PolarHBondContact O-N 3.49Å; W37-E39 VanDerWaalsContact C-N 3.34Å; W37-E39 PolarHBondContact O-N 3.45Å; E39-I41 VanDerWaalsContact C-N 3.35Å; E39-L109 HydrophobicContact CG-CD2 4.45Å
40S91.1Very high89.9Confident90 Ų9056 Ų5663%0.62928%0.284SS*.THydrogen-bonded Turntrans-85.4-8.3178.269.60000113.8R36 W37 I38R36-S40 PolarHBondContact O-N 3.3Å; W37-S40 PolarHBondContact O-N 3.4Å; W37-S40 PolarHBondContact O-OG 3.01Å; I38-S40 VanDerWaalsContact C-N 3.25Å; I38-S40 PolarHBondContact O-N 3.25Å
41I90.8Very high89.8Confident24 Ų2460 Ų6012%0.12331%0.313CS..SBendtrans-101.6134.6-176.3-65162.4000109.9W37 I38 E39 W43 V46W37-I41 HydrophobicContact CD2-CD1 3.81Å; W37-I41 VanDerWaalsContact CE2-CD1 3.49Å; W37-I41 HydrophobicContact CE3-CD1 3.93Å; W37-I41 HydrophobicContact CH2-CD1 3.44Å; W37-I41 VanDerWaalsContact CH2-CD1 3.44Å; W37-I41 HydrophobicContact CZ2-CD1 3.31Å; W37-I41 HydrophobicContact CZ3-CD1 3.74Å; W37-I41 WeakPolarHBondContact O-CD1 3.49Å; I38-I41 PolarHBondContact O-N 2.82Å; E39-I41 VanDerWaalsContact C-N 3.35Å; I41-W43 HydrophobicContact CB-CD2 4.41Å; I41-W43 HydrophobicContact CB-CZ2 4.07Å; I41-W43 HydrophobicContact CD1-CH2 4.2Å; I41-W43 HydrophobicContact CD1-CZ2 3.66Å; I41-W43 HydrophobicContact CG1-CZ2 4.48Å; I41-W43 HydrophobicContact CG2-CD2 3.87Å; I41-W43 HydrophobicContact CG2-CE3 4.28Å; I41-W43 HydrophobicContact CG2-CG 4.24Å; I41-W43 HydrophobicContact CG2-CH2 4.42Å; I41-W43 HydrophobicContact CG2-CZ2 4Å; I41-W43 PolarHBondContact O-N 2.99Å; I41-V46 HydrophobicContact CG2-CG2 3.92Å
42D90.1Very high89.7Confident93 Ų9361.7 Ų61.750%0.49732%0.322SS..  trans-79.483.8171.1179.615.1000111.1D44 T45 V46D42-D44 PolarHBondContact O-N 2.98Å; D42-D44 PolarHBondContact OD1-N 2.9Å; D42-T45 PolarHBondContact O-N 3.27Å; D42-T45 WeakPolarHBondContact OD2-CB 3.32Å; D42-T45 PolarHBondContact OD2-OG1 3.31Å; D42-V46 VanDerWaalsContact O-CG2 3.29Å; D42-V46 WeakPolarHBondContact O-CG2 3.39Å; D42-V46 PolarHBondContact O-N 3.33Å
43W91.4Very high89.7Confident5 Ų558 Ų582%0.01930%0.304CS..Hα-helixtrans-65.3-18.3-178.4-64.899.5000114.1W37 I38 I41 V46 A47 R56 M101 A102 I105W37-W43 HydrophobicContact CH2-CH2 4.11Å; W37-W43 HydrophobicContact CH2-CZ2 4.22Å; W37-W43 HydrophobicContact CZ3-CH2 4.11Å; W37-W43 AromaticContact CZ3-CZ2 3.89Å; W37-W43 HydrophobicContact CZ3-CZ2 3.89Å; I38-W43 PolarHBondContact O-NE1 3.44Å; I41-W43 HydrophobicContact CB-CD2 4.41Å; I41-W43 HydrophobicContact CB-CZ2 4.07Å; I41-W43 HydrophobicContact CD1-CH2 4.2Å; I41-W43 HydrophobicContact CD1-CZ2 3.66Å; I41-W43 HydrophobicContact CG1-CZ2 4.48Å; I41-W43 HydrophobicContact CG2-CD2 3.87Å; I41-W43 HydrophobicContact CG2-CE3 4.28Å; I41-W43 HydrophobicContact CG2-CG 4.24Å; I41-W43 HydrophobicContact CG2-CH2 4.42Å; I41-W43 HydrophobicContact CG2-CZ2 4Å; I41-W43 PolarHBondContact O-N 2.99Å; W43-V46 HydrophobicContact CE3-CB 4.18Å; W43-V46 HydrophobicContact CE3-CG1 4.06Å; W43-V46 HydrophobicContact CE3-CG2 4.38Å; W43-V46 HydrophobicContact CZ3-CG1 4.2Å; W43-V46 PolarHBondContact O-N 2.98Å; W43-A47 VanDerWaalsContact O-CB 3.3Å; W43-A47 WeakPolarHBondContact O-CB 3.3Å; W43-A47 PolarHBondContact O-N 2.66Å; W43-R56 HydrophobicContact CH2-CB 4.29Å; W43-R56 HydrophobicContact CZ3-CB 4.12Å; W43-M101 HydrophobicContact CH2-CE 4.32Å; W43-M101 HydrophobicContact CZ3-CE 3.96Å; W43-A102 HydrophobicContact CE3-CB 4Å; W43-A102 HydrophobicContact CZ3-CB 4.44Å; W43-I105 HydrophobicContact CD2-CB 4.07Å; W43-I105 HydrophobicContact CD2-CD1 4.3Å; W43-I105 HydrophobicContact CD2-CG2 3.68Å; W43-I105 HydrophobicContact CE3-CB 4.36Å; W43-I105 HydrophobicContact CE3-CD1 4.09Å; W43-I105 HydrophobicContact CE3-CG2 4.41Å; W43-I105 HydrophobicContact CG-CB 4.26Å; W43-I105 HydrophobicContact CG-CG2 3.71Å; W43-I105 HydrophobicContact CH2-CD1 3.7Å; W43-I105 HydrophobicContact CZ2-CD1 3.93Å; W43-I105 HydrophobicContact CZ2-CG2 4.25Å; W43-I105 HydrophobicContact CZ3-CD1 3.79Å
44D88.6Confident89.7Confident69 Ų6957.1 Ų57.137%0.36931%0.307SS..Hα-helixtrans-68.7-41.8175.8-77.7-21.5000111.3D42 S106 K110D42-D44 PolarHBondContact O-N 2.98Å; D42-D44 PolarHBondContact OD1-N 2.9Å; D44-S106 PolarHBondContact OD1-OG 2.86Å; D44-K110 WeakPolarHBondContact OD1-CE 3.25Å; D44-K110 IonicContact OD1-NZ 3.72Å; D44-K110 PolarHBondContact OD1-NZ 3.38Å; D44-K110 WeakPolarHBondContact OD2-CE 3.38Å; D44-K110 IonicContact OD2-NZ 3.02Å; D44-K110 PolarHBondContact OD2-NZ 3.18Å
45T88.1Confident89.7Confident60 Ų6061.3 Ų61.337%0.36833%0.328SS..Hα-helixtrans-69.8-37.6174-61.20000111.4D42 A47 V48 L52D42-T45 PolarHBondContact O-N 3.27Å; D42-T45 WeakPolarHBondContact OD2-CB 3.32Å; D42-T45 PolarHBondContact OD2-OG1 3.31Å; T45-A47 VanDerWaalsContact C-N 3.34Å; T45-A47 PolarHBondContact O-N 2.83Å; T45-V48 PolarHBondContact O-N 3.2Å; T45-L52 HydrophobicContact CG2-CD2 4.16Å
46V89Confident89.7Confident2 Ų264.1 Ų64.11%0.01234%0.337CS..Hα-helixtrans-64.5-37.9178.1-176.90000111.6I41 D42 W43 V48 Q49 L52 A53 R56 A102I41-V46 HydrophobicContact CG2-CG2 3.92Å; D42-V46 VanDerWaalsContact O-CG2 3.29Å; D42-V46 WeakPolarHBondContact O-CG2 3.39Å; D42-V46 PolarHBondContact O-N 3.33Å; W43-V46 HydrophobicContact CE3-CB 4.18Å; W43-V46 HydrophobicContact CE3-CG1 4.06Å; W43-V46 HydrophobicContact CE3-CG2 4.38Å; W43-V46 HydrophobicContact CZ3-CG1 4.2Å; W43-V46 PolarHBondContact O-N 2.98Å; V46-V48 PolarHBondContact O-N 3.44Å; V46-V48 VanDerWaalsContact O-N 3.17Å; V46-Q49 PolarHBondContact O-N 3.22Å; V46-L52 HydrophobicContact CB-CD2 4.44Å; V46-L52 HydrophobicContact CG2-CD2 3.84Å; V46-L52 HydrophobicContact CG2-CG 4.01Å; V46-A53 VanDerWaalsContact CG1-CA 3.46Å; V46-A53 HydrophobicContact CG1-CB 3.94Å; V46-R56 HydrophobicContact CG1-CB 4.16Å; V46-R56 HydrophobicContact CG1-CG 4.17Å; V46-R56 HydrophobicContact CG2-CG 4.02Å; V46-A102 HydrophobicContact CB-CB 4.15Å; V46-A102 HydrophobicContact CG1-CB 3.66Å
47A87.8Confident89.8Confident20 Ų2054.3 Ų54.317%0.16530%0.3CS..THydrogen-bonded Turntrans-68.7-9.5-179.800000114.6W43 T45 V99 A102 M103W43-A47 VanDerWaalsContact O-CB 3.3Å; W43-A47 WeakPolarHBondContact O-CB 3.3Å; W43-A47 PolarHBondContact O-N 2.66Å; T45-A47 VanDerWaalsContact C-N 3.34Å; T45-A47 PolarHBondContact O-N 2.83Å; A47-V99 WeakPolarHBondContact O-CG1 3.45Å; A47-A102 HydrophobicContact CB-CB 4.16Å; A47-M103 HydrophobicContact CB-CG 3.86Å
48V86.4Confident89.8Confident119 Ų11957 Ų5772%0.72131%0.314SS*.THydrogen-bonded Turntrans-107.2-12.7179.6-176.50000111.8T45 V46T45-V48 PolarHBondContact O-N 3.2Å; V46-V48 PolarHBondContact O-N 3.44Å; V46-V48 VanDerWaalsContact O-N 3.17Å
49Q88.3Confident89.8Confident96 Ų9659.6 Ų59.645%0.44933%0.328SS..  trans-124.3103.7-173.4-67.2-175.6-4.700111.8V46 S51 L52 A53V46-Q49 PolarHBondContact O-N 3.22Å; Q49-S51 VanDerWaalsContact C-N 3.33Å; Q49-S51 PolarHBondContact O-N 3.14Å; Q49-L52 HydrophobicContact CB-CB 3.86Å; Q49-L52 PolarHBondContact O-N 2.93Å; Q49-L52 VanDerWaalsContact O-N 3.12Å; Q49-A53 WeakPolarHBondContact O-CB 3.27Å; Q49-A53 PolarHBondContact O-N 2.91Å
50D85.8Confident89.8Confident111 Ų11157 Ų5759%0.59432%0.316SS*.Hα-helixtrans-55-42.2-177.6-65.920.4000113.9A53 T54 V99D50-A53 PolarHBondContact O-N 3.22Å; D50-T54 PolarHBondContact O-N 3.07Å; D50-T54 PolarHBondContact O-OG1 3.3Å; D50-V99 HydrophobicContact CB-CG2 4.23Å; D50-V99 VanDerWaalsContact OD1-CG2 3.31Å; D50-V99 WeakPolarHBondContact OD1-CG2 3.44Å
51S88.4Confident89.9Confident86 Ų8653.2 Ų53.260%0.60129%0.289SS*.Hα-helixtrans-66-41.4179.5550000112Q49 T54 I55Q49-S51 VanDerWaalsContact C-N 3.33Å; Q49-S51 PolarHBondContact O-N 3.14Å; S51-T54 PolarHBondContact O-N 3.06Å; S51-I55 VanDerWaalsContact O-CG1 3.31Å; S51-I55 WeakPolarHBondContact O-CG1 3.36Å; S51-I55 PolarHBondContact O-N 2.87Å; S51-I55 VanDerWaalsContact O-N 3.12Å
52L89.4Confident90Very high36 Ų3654.7 Ų54.719%0.18831%0.305CS..Hα-helixtrans-70.1-38.1176.2-175.564.1000111.3T45 V46 Q49 T54 I55 R56T45-L52 HydrophobicContact CG2-CD2 4.16Å; V46-L52 HydrophobicContact CB-CD2 4.44Å; V46-L52 HydrophobicContact CG2-CD2 3.84Å; V46-L52 HydrophobicContact CG2-CG 4.01Å; Q49-L52 HydrophobicContact CB-CB 3.86Å; Q49-L52 PolarHBondContact O-N 2.93Å; Q49-L52 VanDerWaalsContact O-N 3.12Å; L52-T54 VanDerWaalsContact C-N 3.34Å; L52-T54 PolarHBondContact O-N 3.34Å; L52-I55 PolarHBondContact O-N 2.77Å; L52-R56 HydrophobicContact CD1-CG 4.41Å; L52-R56 WeakPolarHBondContact O-CB 3.27Å; L52-R56 VanDerWaalsContact O-CG 3.31Å; L52-R56 WeakPolarHBondContact O-CG 3.48Å; L52-R56 PolarHBondContact O-N 3.07Å
53A89Confident90.1Very high0 Ų053.1 Ų53.10%029%0.294CS..Hα-helixtrans-60-43.5173.900000111.9V46 Q49 D50 R56 F57 P98 V99V46-A53 VanDerWaalsContact CG1-CA 3.46Å; V46-A53 HydrophobicContact CG1-CB 3.94Å; Q49-A53 WeakPolarHBondContact O-CB 3.27Å; Q49-A53 PolarHBondContact O-N 2.91Å; D50-A53 PolarHBondContact O-N 3.22Å; A53-R56 PolarHBondContact O-N 2.91Å; A53-F57 WeakPolarHBondContact O-CB 3.32Å; A53-F57 PolarHBondContact O-N 2.9Å; A53-P98 HydrophobicContact CB-CB 3.97Å; A53-V99 HydrophobicContact CB-CG2 3.91Å
54T89.8Confident90.1Very high59 Ų5953 Ų5336%0.36229%0.294SS..Hα-helixtrans-63.6-44.6177.1-53.30000111.7D50 S51 L52 F57 H58D50-T54 PolarHBondContact O-N 3.07Å; D50-T54 PolarHBondContact O-OG1 3.3Å; S51-T54 PolarHBondContact O-N 3.06Å; L52-T54 VanDerWaalsContact C-N 3.34Å; L52-T54 PolarHBondContact O-N 3.34Å; T54-F57 PolarHBondContact O-N 3.46Å; T54-H58 PolarHBondContact O-CD2 3.3Å; T54-H58 VanDerWaalsContact O-CD2 3.24Å; T54-H58 PolarHBondContact O-N 3.5Å; T54-H58 VanDerWaalsContact O-N 3.16Å
55I91.9Very high90.2Very high92 Ų9253.1 Ų53.147%0.47229%0.294SS..Hα-helixtrans-60.6-49.1176.3-67.5165.3000110.3S51 L52 F57 H58 D59S51-I55 VanDerWaalsContact O-CG1 3.31Å; S51-I55 WeakPolarHBondContact O-CG1 3.36Å; S51-I55 PolarHBondContact O-N 2.87Å; S51-I55 VanDerWaalsContact O-N 3.12Å; L52-I55 PolarHBondContact O-N 2.77Å; I55-F57 VanDerWaalsContact C-N 3.28Å; I55-F57 PolarHBondContact O-N 3.42Å; I55-H58 PolarHBondContact O-N 2.99Å; I55-D59 VanDerWaalsContact O-CG 3.31Å; I55-D59 PolarHBondContact O-N 3.21Å
56R91.1Very high90.4Very high74 Ų7453.4 Ų53.428%0.27929%0.294SS..Hα-helixtrans-66.7-29.3-178.7-69.4-67.3177.2-98.8-7.3113.1W43 V46 L52 A53 D59 L60W43-R56 HydrophobicContact CH2-CB 4.29Å; W43-R56 HydrophobicContact CZ3-CB 4.12Å; V46-R56 HydrophobicContact CG1-CB 4.16Å; V46-R56 HydrophobicContact CG1-CG 4.17Å; V46-R56 HydrophobicContact CG2-CG 4.02Å; L52-R56 HydrophobicContact CD1-CG 4.41Å; L52-R56 WeakPolarHBondContact O-CB 3.27Å; L52-R56 VanDerWaalsContact O-CG 3.31Å; L52-R56 WeakPolarHBondContact O-CG 3.48Å; L52-R56 PolarHBondContact O-N 3.07Å; A53-R56 PolarHBondContact O-N 2.91Å; R56-D59 IonicContact CZ-OD2 2.8Å; R56-D59 IonicContact NH1-OD2 2.62Å; R56-D59 PolarHBondContact NH1-OD2 2.97Å; R56-L60 WeakPolarHBondContact O-CB 3.45Å; R56-L60 PolarHBondContact O-N 3.2Å
57F92.3Very high90.4Very high1 Ų154.1 Ų54.10%0.00430%0.297CS..Hα-helixtrans-64.9-47.6172178.4-113000112A53 T54 I55 D59 L60 L61 L90 F94 Q95 P98 M101A53-F57 WeakPolarHBondContact O-CB 3.32Å; A53-F57 PolarHBondContact O-N 2.9Å; T54-F57 PolarHBondContact O-N 3.46Å; I55-F57 VanDerWaalsContact C-N 3.28Å; I55-F57 PolarHBondContact O-N 3.42Å; F57-D59 VanDerWaalsContact C-N 3.33Å; F57-D59 PolarHBondContact O-N 3.4Å; F57-L60 WeakPolarHBondContact O-CB 3.36Å; F57-L60 PolarHBondContact O-N 3.5Å; F57-L61 HydrophobicContact CD1-CD1 4.19Å; F57-L61 HydrophobicContact CE1-CD1 3.72Å; F57-L61 HydrophobicContact CE1-CG 4.42Å; F57-L61 HydrophobicContact CZ-CD1 3.98Å; F57-L61 HydrophobicContact CZ-CD2 4.38Å; F57-L61 HydrophobicContact CZ-CG 4.33Å; F57-L61 WeakPolarHBondContact O-CG 3.4Å; F57-L61 PolarHBondContact O-N 3Å; F57-L90 HydrophobicContact CE2-CB 4.46Å; F57-F94 HydrophobicContact CD2-CB 4.32Å; F57-F94 HydrophobicContact CE2-CB 3.78Å; F57-F94 HydrophobicContact CZ-CB 4.23Å; F57-Q95 HydrophobicContact CE1-CB 4.04Å; F57-Q95 HydrophobicContact CZ-CB 4.38Å; F57-P98 HydrophobicContact CB-CB 4.03Å; F57-P98 HydrophobicContact CB-CG 4.5Å; F57-P98 HydrophobicContact CG-CB 4.48Å; F57-M101 HydrophobicContact CB-CE 4.08Å; F57-M101 HydrophobicContact CD2-CE 3.96Å; F57-M101 HydrophobicContact CD2-SD 3.58Å; F57-M101 VanDerWaalsContact CD2-SD 3.58Å; F57-M101 HydrophobicContact CE2-SD 4.17Å
58H92.3Very high90.4Very high103 Ų10355.9 Ų55.948%0.47730%0.302SS..Hα-helixtrans-65.9-36.1175.5-72.7-62.6000112.6T54 I55 L60 L61 A62T54-H58 PolarHBondContact O-CD2 3.3Å; T54-H58 VanDerWaalsContact O-CD2 3.24Å; T54-H58 PolarHBondContact O-N 3.5Å; T54-H58 VanDerWaalsContact O-N 3.16Å; I55-H58 PolarHBondContact O-N 2.99Å; H58-L60 VanDerWaalsContact C-N 3.33Å; H58-L60 PolarHBondContact O-N 3.25Å; H58-L61 PolarHBondContact O-N 2.83Å; H58-A62 PolarHBondContact O-N 3.19Å
59D92.6Very high90.6Very high57 Ų5753.3 Ų53.331%0.30529%0.289SS..Hα-helixtrans-60.2-43.1172.1-66.8-27.7000111.1W37 I55 R56 F57 L61 A62 Q63W37-D59 HydrophobicContact CH2-CB 4.27Å; W37-D59 HydrophobicContact CZ2-CB 3.6Å; I55-D59 VanDerWaalsContact O-CG 3.31Å; I55-D59 PolarHBondContact O-N 3.21Å; R56-D59 IonicContact CZ-OD2 2.8Å; R56-D59 IonicContact NH1-OD2 2.62Å; R56-D59 PolarHBondContact NH1-OD2 2.97Å; F57-D59 VanDerWaalsContact C-N 3.33Å; F57-D59 PolarHBondContact O-N 3.4Å; D59-L61 PolarHBondContact O-N 3.45Å; D59-A62 WeakPolarHBondContact O-CB 3.33Å; D59-A62 PolarHBondContact O-N 3.34Å; D59-Q63 WeakPolarHBondContact O-CG 3.39Å; D59-Q63 PolarHBondContact O-N 2.98Å
60L92.7Very high90.7Very high1 Ų154.5 Ų54.51%0.00529%0.289CS..Hα-helixtrans-60.8-44.3175.9175.463.6000111.4F26 I30 L34 W37 R56 F57 H58 A62 Q63 L64 L90 M101F26-L60 HydrophobicContact CE2-CD2 4.44Å; I30-L60 HydrophobicContact CG2-CD1 3.85Å; L34-L60 HydrophobicContact CD1-CD1 3.59Å; W37-L60 HydrophobicContact CE3-CD1 4.22Å; W37-L60 HydrophobicContact CH2-CB 3.67Å; W37-L60 HydrophobicContact CH2-CD1 4.32Å; W37-L60 HydrophobicContact CZ3-CB 3.86Å; W37-L60 HydrophobicContact CZ3-CD1 3.62Å; W37-L60 HydrophobicContact CZ3-CG 4.29Å; R56-L60 WeakPolarHBondContact O-CB 3.45Å; R56-L60 PolarHBondContact O-N 3.2Å; F57-L60 WeakPolarHBondContact O-CB 3.36Å; F57-L60 PolarHBondContact O-N 3.5Å; H58-L60 VanDerWaalsContact C-N 3.33Å; H58-L60 PolarHBondContact O-N 3.25Å; L60-A62 VanDerWaalsContact C-N 3.3Å; L60-A62 PolarHBondContact O-N 3.45Å; L60-Q63 WeakPolarHBondContact O-CB 3.43Å; L60-Q63 PolarHBondContact O-N 3.27Å; L60-L64 WeakPolarHBondContact O-CG 3.4Å; L60-L64 PolarHBondContact O-N 3.34Å; L60-L90 HydrophobicContact CD2-CD1 4.14Å; L60-M101 HydrophobicContact CD2-CE 4.4Å; L60-M101 HydrophobicContact CD2-SD 3.57Å; L60-M101 VanDerWaalsContact CD2-SD 3.57Å
61L92.3Very high90.8Very high10 Ų1049.5 Ų49.55%0.05226%0.262CS..Hα-helixtrans-61.8-38.8176.7-65.6177.5000111.9F57 H58 D59 L64 D65 K87 Q91F57-L61 HydrophobicContact CD1-CD1 4.19Å; F57-L61 HydrophobicContact CE1-CD1 3.72Å; F57-L61 HydrophobicContact CE1-CG 4.42Å; F57-L61 HydrophobicContact CZ-CD1 3.98Å; F57-L61 HydrophobicContact CZ-CD2 4.38Å; F57-L61 HydrophobicContact CZ-CG 4.33Å; F57-L61 WeakPolarHBondContact O-CG 3.4Å; F57-L61 PolarHBondContact O-N 3Å; H58-L61 PolarHBondContact O-N 2.83Å; D59-L61 PolarHBondContact O-N 3.45Å; L61-L64 HydrophobicContact CD2-CD1 4.41Å; L61-L64 WeakPolarHBondContact O-CB 3.26Å; L61-L64 PolarHBondContact O-N 3.5Å; L61-D65 PolarHBondContact O-N 3.2Å; L61-D65 VanDerWaalsContact O-N 3.08Å; L61-K87 HydrophobicContact CD2-CG 3.83Å; L61-Q91 HydrophobicContact CD1-CG 3.83Å; L61-Q91 HydrophobicContact CD2-CG 3.76Å; L61-Q91 HydrophobicContact CG-CG 4.49Å
62A92.8Very high90.7Very high55 Ų5547.7 Ų47.746%0.45525%0.253SS..Hα-helixtrans-66.4-39.2175.100000112H58 D59 L60 L64 D65 D66H58-A62 PolarHBondContact O-N 3.19Å; D59-A62 WeakPolarHBondContact O-CB 3.33Å; D59-A62 PolarHBondContact O-N 3.34Å; L60-A62 VanDerWaalsContact C-N 3.3Å; L60-A62 PolarHBondContact O-N 3.45Å; A62-L64 VanDerWaalsContact C-N 3.31Å; A62-L64 PolarHBondContact O-N 2.85Å; A62-D65 PolarHBondContact O-N 3.41Å; A62-D66 PolarHBondContact O-N 2.89Å
63Q92.6Very high90.7Very high59 Ų5953.1 Ų53.128%0.27628%0.281SS..Hα-helixtrans-62.7-38.1173-68.6-61.5-37.100111.9L34 W37 D59 L60 D65 D66 Q67L34-Q63 HydrophobicContact CD1-CB 3.79Å; L34-Q63 HydrophobicContact CD2-CB 3.82Å; L34-Q63 HydrophobicContact CG-CB 4.47Å; W37-Q63 HydrophobicContact CD2-CG 3.82Å; W37-Q63 HydrophobicContact CE3-CG 4.44Å; W37-Q63 HydrophobicContact CG-CG 3.98Å; W37-Q63 HydrophobicContact CZ2-CG 4.28Å; D59-Q63 WeakPolarHBondContact O-CG 3.39Å; D59-Q63 PolarHBondContact O-N 2.98Å; L60-Q63 WeakPolarHBondContact O-CB 3.43Å; L60-Q63 PolarHBondContact O-N 3.27Å; Q63-D65 VanDerWaalsContact C-N 3.33Å; Q63-D65 PolarHBondContact O-N 2.96Å; Q63-D66 PolarHBondContact O-N 3.49Å; Q63-Q67 WeakPolarHBondContact O-CG 3.34Å; Q63-Q67 PolarHBondContact O-N 3.26Å
64L91.6Very high90.7Very high3 Ų359.4 Ų59.42%0.01631%0.31CS..Hα-helixtrans-64.9-35.8174.5-68.7173.2000112.3I30 L34 L60 L61 A62 Q67 H68 F83 K87 L90I30-L64 HydrophobicContact CG1-CD2 4.35Å; I30-L64 HydrophobicContact CG2-CD2 4.45Å; L34-L64 HydrophobicContact CD1-CD2 3.83Å; L34-L64 HydrophobicContact CD1-CG 4.19Å; L60-L64 WeakPolarHBondContact O-CG 3.4Å; L60-L64 PolarHBondContact O-N 3.34Å; L61-L64 HydrophobicContact CD2-CD1 4.41Å; L61-L64 WeakPolarHBondContact O-CB 3.26Å; L61-L64 PolarHBondContact O-N 3.5Å; A62-L64 VanDerWaalsContact C-N 3.31Å; A62-L64 PolarHBondContact O-N 2.85Å; L64-Q67 PolarHBondContact O-N 3.42Å; L64-H68 VanDerWaalsContact O-CB 3.31Å; L64-H68 WeakPolarHBondContact O-CB 3.36Å; L64-H68 PolarHBondContact O-N 2.99Å; L64-F83 HydrophobicContact CD2-CD1 3.63Å; L64-F83 HydrophobicContact CD2-CE1 3.61Å; L64-K87 HydrophobicContact CD1-CB 4.28Å; L64-K87 HydrophobicContact CD1-CG 4.38Å; L64-L90 HydrophobicContact CD1-CD1 3.72Å
65D90.8Very high90.5Very high71 Ų7161.3 Ų61.338%0.3833%0.326SS..Hα-helixtrans-67.5-39.4174.9-73.9-32.3000112.5L61 A62 Q63 H68 S69 K87L61-D65 PolarHBondContact O-N 3.2Å; L61-D65 VanDerWaalsContact O-N 3.08Å; A62-D65 PolarHBondContact O-N 3.41Å; Q63-D65 VanDerWaalsContact C-N 3.33Å; Q63-D65 PolarHBondContact O-N 2.96Å; D65-H68 PolarHBondContact O-N 3.12Å; D65-S69 PolarHBondContact O-N 3.26Å; D65-S69 PolarHBondContact O-OG 2.89Å; D65-K87 WeakPolarHBondContact OD1-CE 3.48Å; D65-K87 IonicContact OD1-NZ 3.26Å; D65-K87 PolarHBondContact OD1-NZ 2.65Å; D65-K87 IonicContact OD2-NZ 2.78Å; D65-K87 PolarHBondContact OD2-NZ 3.44Å
66D91.6Very high90.3Very high66 Ų6659.8 Ų59.835%0.35332%0.319SS..Hα-helixtrans-63.4-46.2173.5-175.158.4000111A62 Q63 H68 S69 R70A62-D66 PolarHBondContact O-N 2.89Å; Q63-D66 PolarHBondContact O-N 3.49Å; D66-H68 PolarHBondContact O-N 3.25Å; D66-S69 WeakPolarHBondContact O-CB 3.47Å; D66-S69 PolarHBondContact O-N 3.03Å; D66-R70 WeakPolarHBondContact O-CG 3.33Å; D66-R70 PolarHBondContact O-N 3.42Å; D66-R70 IonicContact OD2-CZ 3.34Å; D66-R70 IonicContact OD2-NE 3.83Å; D66-R70 PolarHBondContact OD2-NE 3.48Å; D66-R70 IonicContact OD2-NH2 3.38Å; D66-R70 PolarHBondContact OD2-NH2 2.88Å
67Q88.3Confident90.2Very high17 Ų1763.9 Ų63.98%0.07934%0.339CS..Hα-helixtrans-63.5-40.6175.8-66.4-51.9-51.600112.5L34 Q63 L64 S69 R70 F71 F83L34-Q67 HydrophobicContact CD2-CG 3.51Å; L34-Q67 HydrophobicContact CG-CG 4.35Å; Q63-Q67 WeakPolarHBondContact O-CG 3.34Å; Q63-Q67 PolarHBondContact O-N 3.26Å; L64-Q67 PolarHBondContact O-N 3.42Å; Q67-S69 VanDerWaalsContact C-N 3.26Å; Q67-S69 PolarHBondContact O-N 3.21Å; Q67-R70 WeakPolarHBondContact O-CB 3.46Å; Q67-R70 PolarHBondContact O-N 3.16Å; Q67-R70 VanDerWaalsContact O-N 3.16Å; Q67-F71 HydrophobicContact CB-CE2 4.27Å; Q67-F71 WeakPolarHBondContact O-CD2 3.28Å; Q67-F71 WeakPolarHBondContact O-CG 3.38Å; Q67-F71 PolarHBondContact O-N 3.49Å; Q67-F83 HydrophobicContact CB-CD1 4.19Å; Q67-F83 HydrophobicContact CB-CE1 4.06Å
68H89.5Confident90Very high57 Ų5769 Ų6926%0.26437%0.366SS..Hα-helixtrans-59-40.9174.6-179.2-78.4000111.5L64 D65 D66 F71 A72 Q80L64-H68 VanDerWaalsContact O-CB 3.31Å; L64-H68 WeakPolarHBondContact O-CB 3.36Å; L64-H68 PolarHBondContact O-N 2.99Å; D65-H68 PolarHBondContact O-N 3.12Å; D66-H68 PolarHBondContact O-N 3.25Å; H68-F71 PolarHBondContact O-N 3.44Å; H68-A72 PolarHBondContact O-N 3.23Å; H68-Q80 PolarHBondContact CD2-O 2.68Å
69S89.8Confident89.8Confident65 Ų6565.5 Ų65.546%0.45535%0.35SS..Hα-helixtrans-65.5-37.8176.6-57.50000112.1D65 D66 Q67 A72 L73D65-S69 PolarHBondContact O-N 3.26Å; D65-S69 PolarHBondContact O-OG 2.89Å; D66-S69 WeakPolarHBondContact O-CB 3.47Å; D66-S69 PolarHBondContact O-N 3.03Å; Q67-S69 VanDerWaalsContact C-N 3.26Å; Q67-S69 PolarHBondContact O-N 3.21Å; S69-A72 WeakPolarHBondContact O-CB 3.25Å; S69-A72 PolarHBondContact O-N 2.92Å; S69-L73 WeakPolarHBondContact O-CG 3.47Å; S69-L73 PolarHBondContact O-N 3.1Å; S69-L73 VanDerWaalsContact O-N 3.14Å
70R90Very high89.6Confident122 Ų12264.8 Ų64.846%0.4635%0.345SS..Hα-helixtrans-63.1-44.5173.2-65.6173.5-168.5-157.92.9112.1D66 Q67 A72 L73 E74D66-R70 WeakPolarHBondContact O-CG 3.33Å; D66-R70 PolarHBondContact O-N 3.42Å; D66-R70 IonicContact OD2-CZ 3.34Å; D66-R70 IonicContact OD2-NE 3.83Å; D66-R70 PolarHBondContact OD2-NE 3.48Å; D66-R70 IonicContact OD2-NH2 3.38Å; D66-R70 PolarHBondContact OD2-NH2 2.88Å; Q67-R70 WeakPolarHBondContact O-CB 3.46Å; Q67-R70 PolarHBondContact O-N 3.16Å; Q67-R70 VanDerWaalsContact O-N 3.16Å; R70-A72 PolarHBondContact O-N 2.93Å; R70-L73 WeakPolarHBondContact O-CB 3.47Å; R70-L73 PolarHBondContact O-N 2.67Å; R70-L73 VanDerWaalsContact O-N 3.14Å; R70-E74 PolarHBondContact O-N 3.27Å; R70-E74 VanDerWaalsContact O-N 3.08Å
71F89Confident89.4Confident6 Ų669.5 Ų69.53%0.02637%0.366CS..Hα-helixtrans-65.8-28.1175.4-60.9-45.6000113.1Y33 Q67 H68 E74 S75 N76 Q79 Q80 F83Y33-F71 HydrophobicContact CD1-CE1 4.15Å; Y33-F71 AromaticContact CD1-CZ 3.64Å; Y33-F71 HydrophobicContact CD1-CZ 3.64Å; Y33-F71 HydrophobicContact CD2-CZ 4.26Å; Y33-F71 AromaticContact CE1-CE1 3.66Å; Y33-F71 HydrophobicContact CE1-CE1 3.66Å; Y33-F71 AromaticContact CE1-CZ 3.48Å; Y33-F71 HydrophobicContact CE1-CZ 3.48Å; Y33-F71 VanDerWaalsContact CE1-CZ 3.48Å; Y33-F71 HydrophobicContact CE2-CZ 4.12Å; Y33-F71 HydrophobicContact CG-CZ 4.03Å; Y33-F71 AromaticContact CZ-CZ 3.72Å; Q67-F71 HydrophobicContact CB-CE2 4.27Å; Q67-F71 WeakPolarHBondContact O-CD2 3.28Å; Q67-F71 WeakPolarHBondContact O-CG 3.38Å; Q67-F71 PolarHBondContact O-N 3.49Å; H68-F71 PolarHBondContact O-N 3.44Å; F71-E74 PolarHBondContact O-N 3.09Å; F71-S75 PolarHBondContact O-N 2.94Å; F71-N76 PolarHBondContact O-N 3.36Å; F71-N76 VanDerWaalsContact O-N 3.08Å; F71-Q79 HydrophobicContact CB-CB 4.46Å; F71-Q79 HydrophobicContact CD1-CB 3.98Å; F71-Q79 HydrophobicContact CD2-CB 3.92Å; F71-Q79 HydrophobicContact CE1-CB 4.15Å; F71-Q79 HydrophobicContact CE2-CB 4.11Å; F71-Q79 HydrophobicContact CG-CB 3.87Å; F71-Q79 HydrophobicContact CZ-CB 4.21Å; F71-Q80 HydrophobicContact CB-CG 3.57Å; F71-Q80 PolarHBondContact O-NE2 2.83Å; F71-F83 HydrophobicContact CD2-CD2 4.13Å; F71-F83 HydrophobicContact CD2-CG 4.24Å; F71-F83 HydrophobicContact CE2-CD1 4.08Å; F71-F83 AromaticContact CE2-CD2 3.43Å; F71-F83 HydrophobicContact CE2-CD2 3.43Å; F71-F83 VanDerWaalsContact CE2-CD2 3.43Å; F71-F83 HydrophobicContact CE2-CE1 4.15Å; F71-F83 AromaticContact CE2-CE2 3.51Å; F71-F83 HydrophobicContact CE2-CE2 3.51Å; F71-F83 AromaticContact CE2-CG 3.75Å; F71-F83 HydrophobicContact CE2-CG 3.75Å; F71-F83 AromaticContact CE2-CZ 3.89Å; F71-F83 HydrophobicContact CE2-CZ 3.89Å; F71-F83 HydrophobicContact CZ-CD2 4.29Å; F71-F83 AromaticContact CZ-CE2 3.95Å; F71-F83 HydrophobicContact CZ-CE2 3.95Å; F71-F83 HydrophobicContact CZ-CZ 4.25Å
72A86.3Confident89.2Confident48 Ų4871.3 Ų71.340%0.39738%0.376SS..Hα-helixtrans-63.2-43.5171.200000111.8H68 S69 R70 E74 S75 Q80H68-A72 PolarHBondContact O-N 3.23Å; S69-A72 WeakPolarHBondContact O-CB 3.25Å; S69-A72 PolarHBondContact O-N 2.92Å; R70-A72 PolarHBondContact O-N 2.93Å; A72-E74 VanDerWaalsContact C-N 3.35Å; A72-E74 PolarHBondContact O-N 3.29Å; A72-S75 PolarHBondContact O-N 3.44Å; A72-Q80 VanDerWaalsContact CA-NE2 3.29Å
73L89.5Confident89Confident150 Ų15068.8 Ų68.879%0.78536%0.355SS*.Hα-helixtrans-64-39.3175.2-64.1171.1000112.1S69 R70 S75S69-L73 WeakPolarHBondContact O-CG 3.47Å; S69-L73 PolarHBondContact O-N 3.1Å; S69-L73 VanDerWaalsContact O-N 3.14Å; R70-L73 WeakPolarHBondContact O-CB 3.47Å; R70-L73 PolarHBondContact O-N 2.67Å; R70-L73 VanDerWaalsContact O-N 3.14Å; L73-S75 PolarHBondContact O-N 3.41Å
74E87.9Confident88.8Confident131 Ų13173.3 Ų73.361%0.61237%0.37SS*.THydrogen-bonded Turntrans-77.5-0.5178.8-66.7176.6-179.200113.9R70 F71 A72 N76R70-E74 PolarHBondContact O-N 3.27Å; R70-E74 VanDerWaalsContact O-N 3.08Å; F71-E74 PolarHBondContact O-N 3.09Å; A72-E74 VanDerWaalsContact C-N 3.35Å; A72-E74 PolarHBondContact O-N 3.29Å; E74-N76 HydrophobicContact CB-CB 4.48Å; E74-N76 PolarHBondContact O-N 3.27Å; E74-N76 VanDerWaalsContact O-N 3.1Å
75S85.2Confident88.7Confident100 Ų10078.5 Ų78.570%0.69939%0.392SS*.THydrogen-bonded Turntrans54.224.9-174.4-58.40000114.1F71 A72 L73 F77F71-S75 PolarHBondContact O-N 2.94Å; A72-S75 PolarHBondContact O-N 3.44Å; L73-S75 PolarHBondContact O-N 3.41Å; S75-F77 PolarHBondContact O-N 3.11Å
76N87.4Confident88.7Confident60 Ų6075.7 Ų75.732%0.32138%0.377SS..  trans-83.680-179.7-167.1-27.2000110.9F71 E74 L78 Q79 Q80F71-N76 PolarHBondContact O-N 3.36Å; F71-N76 VanDerWaalsContact O-N 3.08Å; E74-N76 HydrophobicContact CB-CB 4.48Å; E74-N76 PolarHBondContact O-N 3.27Å; E74-N76 VanDerWaalsContact O-N 3.1Å; N76-L78 VanDerWaalsContact C-N 3.26Å; N76-L78 PolarHBondContact O-N 3.28Å; N76-Q79 HydrophobicContact CB-CB 4.41Å; N76-Q79 PolarHBondContact O-N 3.12Å; N76-Q79 PolarHBondContact OD1-N 3.24Å; N76-Q80 WeakPolarHBondContact O-CG 3.29Å; N76-Q80 PolarHBondContact O-N 3.12Å
77F89.3Confident88.6Confident159 Ų15974.6 Ų74.670%0.69737%0.369SS*.Hα-helixtrans-55.4-38.3-175.7-179.6-101.8000113.6S75 H81S75-F77 PolarHBondContact O-N 3.11Å; F77-H81 WeakPolarHBondContact O-CB 3.19Å; F77-H81 PolarHBondContact O-N 3.22Å
78L89.3Confident88.6Confident109 Ų10979 Ų7957%0.57139%0.385SS*.Hα-helixtrans-64.4-49.1-179-178.463.7000111.3N76 H81 N82N76-L78 VanDerWaalsContact C-N 3.26Å; N76-L78 PolarHBondContact O-N 3.28Å; L78-H81 PolarHBondContact O-N 3.44Å; L78-N82 VanDerWaalsContact O-CG 3.29Å; L78-N82 PolarHBondContact O-N 3.23Å
79Q87.6Confident88.6Confident30 Ų3078.9 Ų78.914%0.1439%0.386CS..Hα-helixtrans-68.5-36.7-179.6-69.2-60.9-21.400112.1F71 N76 H81 N82 F83F71-Q79 HydrophobicContact CB-CB 4.46Å; F71-Q79 HydrophobicContact CD1-CB 3.98Å; F71-Q79 HydrophobicContact CD2-CB 3.92Å; F71-Q79 HydrophobicContact CE1-CB 4.15Å; F71-Q79 HydrophobicContact CE2-CB 4.11Å; F71-Q79 HydrophobicContact CG-CB 3.87Å; F71-Q79 HydrophobicContact CZ-CB 4.21Å; N76-Q79 HydrophobicContact CB-CB 4.41Å; N76-Q79 PolarHBondContact O-N 3.12Å; N76-Q79 PolarHBondContact OD1-N 3.24Å; Q79-H81 PolarHBondContact O-N 3.08Å; Q79-N82 PolarHBondContact O-N 2.98Å; Q79-F83 WeakPolarHBondContact O-CB 3.45Å; Q79-F83 WeakPolarHBondContact O-CD2 3.42Å; Q79-F83 PolarHBondContact O-N 2.54Å
80Q88.4Confident88.5Confident41 Ų4175.9 Ų75.919%0.19237%0.365CS..Hα-helixtrans-57.6-49.2171.6-70172.143.500111.9H68 F71 A72 N76 N82 R84H68-Q80 PolarHBondContact CD2-O 2.68Å; F71-Q80 HydrophobicContact CB-CG 3.57Å; F71-Q80 PolarHBondContact O-NE2 2.83Å; A72-Q80 VanDerWaalsContact CA-NE2 3.29Å; N76-Q80 WeakPolarHBondContact O-CG 3.29Å; N76-Q80 PolarHBondContact O-N 3.12Å; Q80-N82 PolarHBondContact O-N 3.45Å; Q80-R84 WeakPolarHBondContact O-CB 3.34Å; Q80-R84 PolarHBondContact O-N 3.3Å
81H87.6Confident88.5Confident100 Ų10072.9 Ų72.946%0.46336%0.356SS..Hα-helixtrans-61.3-44.7178.4177.1-87.7000111.9F77 L78 Q79 R84 K85F77-H81 WeakPolarHBondContact O-CB 3.19Å; F77-H81 PolarHBondContact O-N 3.22Å; L78-H81 PolarHBondContact O-N 3.44Å; Q79-H81 PolarHBondContact O-N 3.08Å; H81-R84 PolarHBondContact O-N 3.17Å; H81-K85 PolarHBondContact O-N 3.21Å
82N88.2Confident88.4Confident48 Ų4879 Ų7926%0.25739%0.389SS..Hα-helixtrans-62.3-50.9179-71.9-11.3000111.7L78 Q79 Q80 R84 K85 I86L78-N82 VanDerWaalsContact O-CG 3.29Å; L78-N82 PolarHBondContact O-N 3.23Å; Q79-N82 PolarHBondContact O-N 2.98Å; Q80-N82 PolarHBondContact O-N 3.45Å; N82-R84 VanDerWaalsContact C-N 3.29Å; N82-R84 PolarHBondContact O-N 2.87Å; N82-K85 WeakPolarHBondContact O-CB 3.49Å; N82-K85 PolarHBondContact O-N 3.19Å; N82-I86 WeakPolarHBondContact O-CB 3.44Å; N82-I86 VanDerWaalsContact O-CG1 3.26Å; N82-I86 WeakPolarHBondContact O-CG1 3.23Å; N82-I86 PolarHBondContact O-N 3.24Å
83F89.3Confident88.3Confident3 Ų383 Ų831%0.01339%0.394CS..Hα-helixtrans-62.3-36.2179.2-90.8-107.3000112.5D29 Y33 L64 Q67 F71 Q79 K85 I86 K87D29-F83 HydrophobicContact CB-CE2 4.09Å; D29-F83 HydrophobicContact CB-CZ 4.31Å; Y33-F83 AromaticContact CD2-CE2 3.66Å; Y33-F83 HydrophobicContact CD2-CE2 3.66Å; Y33-F83 AromaticContact CD2-CZ 3.44Å; Y33-F83 HydrophobicContact CD2-CZ 3.44Å; Y33-F83 VanDerWaalsContact CD2-CZ 3.44Å; Y33-F83 AromaticContact CE2-CE2 3.97Å; Y33-F83 HydrophobicContact CE2-CE2 3.97Å; Y33-F83 HydrophobicContact CE2-CZ 4.22Å; Y33-F83 HydrophobicContact CG-CE2 4.32Å; Y33-F83 AromaticContact CG-CZ 3.79Å; Y33-F83 HydrophobicContact CG-CZ 3.79Å; L64-F83 HydrophobicContact CD2-CD1 3.63Å; L64-F83 HydrophobicContact CD2-CE1 3.61Å; Q67-F83 HydrophobicContact CB-CD1 4.19Å; Q67-F83 HydrophobicContact CB-CE1 4.06Å; F71-F83 HydrophobicContact CD2-CD2 4.13Å; F71-F83 HydrophobicContact CD2-CG 4.24Å; F71-F83 HydrophobicContact CE2-CD1 4.08Å; F71-F83 AromaticContact CE2-CD2 3.43Å; F71-F83 HydrophobicContact CE2-CD2 3.43Å; F71-F83 VanDerWaalsContact CE2-CD2 3.43Å; F71-F83 HydrophobicContact CE2-CE1 4.15Å; F71-F83 AromaticContact CE2-CE2 3.51Å; F71-F83 HydrophobicContact CE2-CE2 3.51Å; F71-F83 AromaticContact CE2-CG 3.75Å; F71-F83 HydrophobicContact CE2-CG 3.75Å; F71-F83 AromaticContact CE2-CZ 3.89Å; F71-F83 HydrophobicContact CE2-CZ 3.89Å; F71-F83 HydrophobicContact CZ-CD2 4.29Å; F71-F83 AromaticContact CZ-CE2 3.95Å; F71-F83 HydrophobicContact CZ-CE2 3.95Å; F71-F83 HydrophobicContact CZ-CZ 4.25Å; Q79-F83 WeakPolarHBondContact O-CB 3.45Å; Q79-F83 WeakPolarHBondContact O-CD2 3.42Å; Q79-F83 PolarHBondContact O-N 2.54Å; F83-K85 PolarHBondContact O-N 3.35Å; F83-I86 PolarHBondContact O-N 3.48Å; F83-K87 WeakPolarHBondContact O-CB 3.37Å; F83-K87 PolarHBondContact O-N 2.94Å
84R88.4Confident88.3Confident154 Ų15476.3 Ų76.358%0.58136%0.359SS*.Hα-helixtrans-64.1-39.5173.7-167.2179.5-175.8-174.10.9112.3Q80 H81 N82 R88Q80-R84 WeakPolarHBondContact O-CB 3.34Å; Q80-R84 PolarHBondContact O-N 3.3Å; H81-R84 PolarHBondContact O-N 3.17Å; N82-R84 VanDerWaalsContact C-N 3.29Å; N82-R84 PolarHBondContact O-N 2.87Å; R84-R88 VanDerWaalsContact NE-NH2 3.18Å; R84-R88 WeakPolarHBondContact O-CG 3.47Å; R84-R88 PolarHBondContact O-N 3.49Å
85K90.1Very high88.3Confident111 Ų11175 Ų7548%0.48335%0.352SS..Hα-helixtrans-69.1-45.2175.6-174-176.8177.1-170.80111.3H81 N82 F83 K87 R88 N89H81-K85 PolarHBondContact O-N 3.21Å; N82-K85 WeakPolarHBondContact O-CB 3.49Å; N82-K85 PolarHBondContact O-N 3.19Å; F83-K85 PolarHBondContact O-N 3.35Å; K85-K87 VanDerWaalsContact C-N 3.34Å; K85-K87 PolarHBondContact O-N 3.14Å; K85-R88 PolarHBondContact O-N 2.99Å; K85-N89 PolarHBondContact O-N 3.45Å; K85-N89 PolarHBondContact O-OD1 2.87Å
86I89.3Confident88.3Confident13 Ų1378.6 Ų78.67%0.06736%0.358CS..Hα-helixtrans-58.3-47.1178.2-71166.8000110.5P27 D29 I30 N82 F83 R88 N89 L90P27-I86 HydrophobicContact CB-CD1 4.19Å; P27-I86 HydrophobicContact CB-CG1 4.27Å; P27-I86 HydrophobicContact CB-CG2 4.49Å; P27-I86 HydrophobicContact CG-CG1 4.16Å; P27-I86 HydrophobicContact CG-CG2 4.1Å; D29-I86 HydrophobicContact CB-CD1 3.76Å; I30-I86 HydrophobicContact CD1-CG2 3.48Å; I30-I86 VanDerWaalsContact CD1-CG2 3.48Å; I30-I86 HydrophobicContact CG1-CG2 3.56Å; N82-I86 WeakPolarHBondContact O-CB 3.44Å; N82-I86 VanDerWaalsContact O-CG1 3.26Å; N82-I86 WeakPolarHBondContact O-CG1 3.23Å; N82-I86 PolarHBondContact O-N 3.24Å; F83-I86 PolarHBondContact O-N 3.48Å; I86-R88 PolarHBondContact O-N 3.33Å; I86-N89 PolarHBondContact O-N 3.08Å; I86-L90 HydrophobicContact CG2-CD1 4.26Å; I86-L90 HydrophobicContact CG2-CG 4.44Å; I86-L90 WeakPolarHBondContact O-CG 3.44Å; I86-L90 PolarHBondContact O-N 3.3Å
87K90.1Very high88.3Confident42 Ų4279.1 Ų79.118%0.18336%0.361CS..Hα-helixtrans-55.8-48.9177.3-170.9-172.5-177.8-176.30111.8L61 L64 D65 F83 K85 L90 Q91L61-K87 HydrophobicContact CD2-CG 3.83Å; L64-K87 HydrophobicContact CD1-CB 4.28Å; L64-K87 HydrophobicContact CD1-CG 4.38Å; D65-K87 WeakPolarHBondContact OD1-CE 3.48Å; D65-K87 IonicContact OD1-NZ 3.26Å; D65-K87 PolarHBondContact OD1-NZ 2.65Å; D65-K87 IonicContact OD2-NZ 2.78Å; D65-K87 PolarHBondContact OD2-NZ 3.44Å; F83-K87 WeakPolarHBondContact O-CB 3.37Å; F83-K87 PolarHBondContact O-N 2.94Å; K85-K87 VanDerWaalsContact C-N 3.34Å; K85-K87 PolarHBondContact O-N 3.14Å; K87-L90 PolarHBondContact O-N 3.14Å; K87-Q91 WeakPolarHBondContact O-CG 3.44Å; K87-Q91 PolarHBondContact O-N 3.08Å
88R89.2Confident88.3Confident111 Ų11172 Ų7242%0.41933%0.331SS..Hα-helixtrans-60.2-47.5177.1-69-171.8-141116.3-3.4111.8R84 K85 I86 L90 Q91 D92R84-R88 VanDerWaalsContact NE-NH2 3.18Å; R84-R88 WeakPolarHBondContact O-CG 3.47Å; R84-R88 PolarHBondContact O-N 3.49Å; K85-R88 PolarHBondContact O-N 2.99Å; I86-R88 PolarHBondContact O-N 3.33Å; R88-L90 VanDerWaalsContact C-N 3.28Å; R88-L90 PolarHBondContact O-N 3.35Å; R88-Q91 WeakPolarHBondContact O-CB 3.4Å; R88-Q91 PolarHBondContact O-N 3.21Å; R88-Q91 VanDerWaalsContact O-N 3.13Å; R88-D92 VanDerWaalsContact O-CG 3.25Å; R88-D92 PolarHBondContact O-N 2.85Å
89N88.1Confident88.3Confident53 Ų5367.8 Ų67.828%0.28331%0.31SS..Hα-helixtrans-60-37.6179.3-72.90.4000112.8K85 I86 R93K85-N89 PolarHBondContact O-N 3.45Å; K85-N89 PolarHBondContact O-OD1 2.87Å; I86-N89 PolarHBondContact O-N 3.08Å; N89-R93 WeakPolarHBondContact O-CB 3.42Å; N89-R93 VanDerWaalsContact O-CG 3.31Å; N89-R93 WeakPolarHBondContact O-CG 3.45Å; N89-R93 PolarHBondContact O-N 3.47Å
90L88.3Confident88.3Confident3 Ų368.7 Ų68.72%0.01632%0.317CS..Hα-helixtrans-69.2-41.3175.6-72.5179.5000112I30 F57 L60 L64 I86 K87 R88 R93 F94I30-L90 HydrophobicContact CD1-CD1 3.24Å; I30-L90 HydrophobicContact CD1-CD2 4.12Å; I30-L90 HydrophobicContact CD1-CG 4Å; F57-L90 HydrophobicContact CE2-CB 4.46Å; L60-L90 HydrophobicContact CD2-CD1 4.14Å; L64-L90 HydrophobicContact CD1-CD1 3.72Å; I86-L90 HydrophobicContact CG2-CD1 4.26Å; I86-L90 HydrophobicContact CG2-CG 4.44Å; I86-L90 WeakPolarHBondContact O-CG 3.44Å; I86-L90 PolarHBondContact O-N 3.3Å; K87-L90 PolarHBondContact O-N 3.14Å; R88-L90 VanDerWaalsContact C-N 3.28Å; R88-L90 PolarHBondContact O-N 3.35Å; L90-R93 PolarHBondContact O-N 3.33Å; L90-F94 HydrophobicContact CD2-CD2 3.73Å; L90-F94 HydrophobicContact CD2-CE2 3.63Å; L90-F94 PolarHBondContact O-N 3.07Å
91Q89.1Confident88.4Confident58 Ų5866.8 Ų66.827%0.27131%0.308SS..Hα-helixtrans-58.4-53.4174.4-72177.7-53.400110.6L61 K87 R88 R93 Q95L61-Q91 HydrophobicContact CD1-CG 3.83Å; L61-Q91 HydrophobicContact CD2-CG 3.76Å; L61-Q91 HydrophobicContact CG-CG 4.49Å; K87-Q91 WeakPolarHBondContact O-CG 3.44Å; K87-Q91 PolarHBondContact O-N 3.08Å; R88-Q91 WeakPolarHBondContact O-CB 3.4Å; R88-Q91 PolarHBondContact O-N 3.21Å; R88-Q91 VanDerWaalsContact O-N 3.13Å; Q91-R93 PolarHBondContact O-N 3.03Å; Q91-R93 VanDerWaalsContact O-N 3.13Å; Q91-Q95 WeakPolarHBondContact O-CB 3.46Å; Q91-Q95 PolarHBondContact O-N 3.23Å; Q91-Q95 VanDerWaalsContact O-N 3.14Å
92D87.9Confident88.5Confident134 Ų13462 Ų6272%0.71729%0.286SS*.Hα-helixtrans-61.3-27.4-178.2-61.7-20.6000113.2R88R88-D92 VanDerWaalsContact O-CG 3.25Å; R88-D92 PolarHBondContact O-N 2.85Å
93R84.4Confident88.5Confident132 Ų13264.3 Ų64.350%0.49830%0.296SS..Hα-helixtrans-95.7-37.9-175.6-74-174.8-174.7-146.37.6115.3N89 L90 Q91N89-R93 WeakPolarHBondContact O-CB 3.42Å; N89-R93 VanDerWaalsContact O-CG 3.31Å; N89-R93 WeakPolarHBondContact O-CG 3.45Å; N89-R93 PolarHBondContact O-N 3.47Å; L90-R93 PolarHBondContact O-N 3.33Å; Q91-R93 PolarHBondContact O-N 3.03Å; Q91-R93 VanDerWaalsContact O-N 3.13Å
94F89.1Confident88.5Confident11 Ų1165.1 Ų65.15%0.04830%0.301CS..Hα-helixtrans-121.3-0.3-167.2-56.9-65.7000113.8S25 F57 L90 E96 D97 P98 T100 M101 I104S25-F94 WeakPolarHBondContact O-CE2 3.09Å; S25-F94 VanDerWaalsContact O-CZ 3.31Å; S25-F94 WeakPolarHBondContact O-CZ 2.9Å; F57-F94 HydrophobicContact CD2-CB 4.32Å; F57-F94 HydrophobicContact CE2-CB 3.78Å; F57-F94 HydrophobicContact CZ-CB 4.23Å; L90-F94 HydrophobicContact CD2-CD2 3.73Å; L90-F94 HydrophobicContact CD2-CE2 3.63Å; L90-F94 PolarHBondContact O-N 3.07Å; F94-E96 VanDerWaalsContact C-N 3.3Å; F94-E96 PolarHBondContact O-N 3.03Å; F94-D97 CarbonylContact O-C 3.56Å; F94-D97 PolarHBondContact O-N 3.27Å; F94-P98 WeakPolarHBondContact O-CA 3.47Å; F94-P98 WeakPolarHBondContact O-CD 3.27Å; F94-P98 WeakPolarHBondContact O-CG 3.36Å; F94-P98 VanDerWaalsContact O-N 3.08Å; F94-T100 HydrophobicContact CE1-CG2 4.21Å; F94-M101 HydrophobicContact CB-CB 4.02Å; F94-M101 HydrophobicContact CD1-CB 3.74Å; F94-M101 HydrophobicContact CD2-CB 4.21Å; F94-M101 HydrophobicContact CD2-CG 4.22Å; F94-M101 HydrophobicContact CE1-CB 4.21Å; F94-M101 HydrophobicContact CE2-CG 4.5Å; F94-M101 HydrophobicContact CG-CB 3.74Å; F94-M101 HydrophobicContact CG-CG 4.24Å; F94-I104 HydrophobicContact CE1-CD1 3.73Å; F94-I104 HydrophobicContact CZ-CD1 3.78Å
95Q88.3Confident88.6Confident102 Ų10258 Ų5848%0.47727%0.274SS..SBendtrans-63.7-37.1177-179.6170.6-27.400112.3F57 Q91F57-Q95 HydrophobicContact CE1-CB 4.04Å; F57-Q95 HydrophobicContact CZ-CB 4.38Å; Q91-Q95 WeakPolarHBondContact O-CB 3.46Å; Q91-Q95 PolarHBondContact O-N 3.23Å; Q91-Q95 VanDerWaalsContact O-N 3.14Å
96E85.6Confident88.7Confident177 Ų17753.3 Ų53.383%0.82726%0.255SS*.SBendtrans-84.8-21.4177.3-59.5-57.8136.100113F94F94-E96 VanDerWaalsContact C-N 3.3Å; F94-E96 PolarHBondContact O-N 3.03Å
97D87.6Confident88.7Confident70 Ų7058.5 Ų58.537%0.37427%0.274SS..  trans-140.578.5176.8-177.25.7000112.4F94 V99 T100F94-D97 CarbonylContact O-C 3.56Å; F94-D97 PolarHBondContact O-N 3.27Å; D97-V99 PolarHBondContact O-N 3.1Å; D97-V99 PolarHBondContact OD1-N 3.45Å; D97-T100 VanDerWaalsContact CG-OG1 3.31Å; D97-T100 PolarHBondContact O-N 3.24Å; D97-T100 PolarHBondContact OD1-N 3.28Å; D97-T100 VanDerWaalsContact OD1-N 3.12Å; D97-T100 VanDerWaalsContact OD2-CB 3.26Å; D97-T100 WeakPolarHBondContact OD2-CB 3.29Å; D97-T100 PolarHBondContact OD2-OG1 3.18Å
98P88.6Confident88.7Confident11 Ų1156.7 Ų56.77%0.07127%0.266CS..Hα-helixtrans-66.8-21.3177.5-24.135.9000113.8A53 F57 F94 M101 A102A53-P98 HydrophobicContact CB-CB 3.97Å; F57-P98 HydrophobicContact CB-CB 4.03Å; F57-P98 HydrophobicContact CB-CG 4.5Å; F57-P98 HydrophobicContact CG-CB 4.48Å; F94-P98 WeakPolarHBondContact O-CA 3.47Å; F94-P98 WeakPolarHBondContact O-CD 3.27Å; F94-P98 WeakPolarHBondContact O-CG 3.36Å; F94-P98 VanDerWaalsContact O-N 3.08Å; P98-M101 WeakPolarHBondContact O-CB 3.32Å; P98-M101 PolarHBondContact O-N 2.93Å; P98-A102 PolarHBondContact O-N 3.37Å; P98-A102 VanDerWaalsContact O-N 3.14Å
99V89.2Confident88.8Confident20 Ų2052.3 Ų52.312%0.12125%0.251CS..Hα-helixtrans-69.5-41.1-178.1-177.40000110A47 D50 A53 D97 M101 A102 M103A47-V99 WeakPolarHBondContact O-CG1 3.45Å; D50-V99 HydrophobicContact CB-CG2 4.23Å; D50-V99 VanDerWaalsContact OD1-CG2 3.31Å; D50-V99 WeakPolarHBondContact OD1-CG2 3.44Å; A53-V99 HydrophobicContact CB-CG2 3.91Å; D97-V99 PolarHBondContact O-N 3.1Å; D97-V99 PolarHBondContact OD1-N 3.45Å; V99-M101 VanDerWaalsContact C-N 3.26Å; V99-M101 PolarHBondContact O-N 3.27Å; V99-A102 PolarHBondContact O-N 3.46Å; V99-A102 VanDerWaalsContact O-N 3.11Å; V99-M103 HydrophobicContact CG1-CE 4.25Å; V99-M103 WeakPolarHBondContact O-CG 3.43Å; V99-M103 PolarHBondContact O-N 3Å
100T86.9Confident88.9Confident48 Ų4854 Ų5429%0.29426%0.256SS..Hα-helixtrans-59.5-37.2173.4-70.70000112.4F94 D97 M103 I104F94-T100 HydrophobicContact CE1-CG2 4.21Å; D97-T100 VanDerWaalsContact CG-OG1 3.31Å; D97-T100 PolarHBondContact O-N 3.24Å; D97-T100 PolarHBondContact OD1-N 3.28Å; D97-T100 VanDerWaalsContact OD1-N 3.12Å; D97-T100 VanDerWaalsContact OD2-CB 3.26Å; D97-T100 WeakPolarHBondContact OD2-CB 3.29Å; D97-T100 PolarHBondContact OD2-OG1 3.18Å; T100-M103 PolarHBondContact O-N 3.16Å; T100-I104 HydrophobicContact CG2-CD1 4.06Å; T100-I104 VanDerWaalsContact O-CG1 3.27Å; T100-I104 WeakPolarHBondContact O-CG1 3.4Å; T100-I104 PolarHBondContact O-N 3.12Å
101M91.3Very high88.9Confident1 Ų156.9 Ų56.91%0.00527%0.269CS..Hα-helixtrans-61.9-48.8172.6-174.4-160.361.700111.4W43 F57 L60 F94 P98 V99 M103 I104 I105W43-M101 HydrophobicContact CH2-CE 4.32Å; W43-M101 HydrophobicContact CZ3-CE 3.96Å; F57-M101 HydrophobicContact CB-CE 4.08Å; F57-M101 HydrophobicContact CD2-CE 3.96Å; F57-M101 HydrophobicContact CD2-SD 3.58Å; F57-M101 VanDerWaalsContact CD2-SD 3.58Å; F57-M101 HydrophobicContact CE2-SD 4.17Å; L60-M101 HydrophobicContact CD2-CE 4.4Å; L60-M101 HydrophobicContact CD2-SD 3.57Å; L60-M101 VanDerWaalsContact CD2-SD 3.57Å; F94-M101 HydrophobicContact CB-CB 4.02Å; F94-M101 HydrophobicContact CD1-CB 3.74Å; F94-M101 HydrophobicContact CD2-CB 4.21Å; F94-M101 HydrophobicContact CD2-CG 4.22Å; F94-M101 HydrophobicContact CE1-CB 4.21Å; F94-M101 HydrophobicContact CE2-CG 4.5Å; F94-M101 HydrophobicContact CG-CB 3.74Å; F94-M101 HydrophobicContact CG-CG 4.24Å; P98-M101 WeakPolarHBondContact O-CB 3.32Å; P98-M101 PolarHBondContact O-N 2.93Å; V99-M101 VanDerWaalsContact C-N 3.26Å; V99-M101 PolarHBondContact O-N 3.27Å; M101-M103 VanDerWaalsContact C-N 3.29Å; M101-M103 PolarHBondContact O-N 3.44Å; M101-I104 PolarHBondContact O-N 3.2Å; M101-I104 VanDerWaalsContact O-N 3.11Å; M101-I105 HydrophobicContact CE-CD1 4.11Å; M101-I105 HydrophobicContact CG-CD1 3.89Å; M101-I105 HydrophobicContact CG-CG1 4.42Å; M101-I105 WeakPolarHBondContact O-CG1 3.49Å; M101-I105 PolarHBondContact O-N 2.78Å; M101-I105 HydrophobicContact SD-CD1 4.09Å
102A90.3Very high88.9Confident0 Ų054.1 Ų54.10%026%0.256CS..Hα-helixtrans-60.4-39.2179.800000112W43 V46 A47 P98 V99 I105 S106W43-A102 HydrophobicContact CE3-CB 4Å; W43-A102 HydrophobicContact CZ3-CB 4.44Å; V46-A102 HydrophobicContact CB-CB 4.15Å; V46-A102 HydrophobicContact CG1-CB 3.66Å; A47-A102 HydrophobicContact CB-CB 4.16Å; P98-A102 PolarHBondContact O-N 3.37Å; P98-A102 VanDerWaalsContact O-N 3.14Å; V99-A102 PolarHBondContact O-N 3.46Å; V99-A102 VanDerWaalsContact O-N 3.11Å; A102-I105 PolarHBondContact O-N 3.38Å; A102-S106 WeakPolarHBondContact O-CB 3.16Å; A102-S106 PolarHBondContact O-N 2.85Å
103M87.9Confident89Confident96 Ų9652.6 Ų52.647%0.47325%0.245SC..Hα-helixtrans-61.7-42.5173.2-73.2-169.6-74.400112.4A47 V99 T100 M101 R107A47-M103 HydrophobicContact CB-CG 3.86Å; V99-M103 HydrophobicContact CG1-CE 4.25Å; V99-M103 WeakPolarHBondContact O-CG 3.43Å; V99-M103 PolarHBondContact O-N 3Å; T100-M103 PolarHBondContact O-N 3.16Å; M101-M103 VanDerWaalsContact C-N 3.29Å; M101-M103 PolarHBondContact O-N 3.44Å; M103-R107 VanDerWaalsContact O-CB 3.24Å; M103-R107 WeakPolarHBondContact O-CB 3.31Å; M103-R107 PolarHBondContact O-N 3.05Å
104I88.4Confident89.2Confident21 Ų2151.6 Ų51.611%0.10824%0.244CC..Hα-helixtrans-63.5-47.4177.3-68.6163.7000110.5F26 F94 T100 M101 R107 N108F26-I104 HydrophobicContact CB-CG2 3.87Å; F94-I104 HydrophobicContact CE1-CD1 3.73Å; F94-I104 HydrophobicContact CZ-CD1 3.78Å; T100-I104 HydrophobicContact CG2-CD1 4.06Å; T100-I104 VanDerWaalsContact O-CG1 3.27Å; T100-I104 WeakPolarHBondContact O-CG1 3.4Å; T100-I104 PolarHBondContact O-N 3.12Å; M101-I104 PolarHBondContact O-N 3.2Å; M101-I104 VanDerWaalsContact O-N 3.11Å; I104-R107 PolarHBondContact O-N 2.9Å; I104-N108 WeakPolarHBondContact O-CB 3.45Å; I104-N108 VanDerWaalsContact O-CG 3.27Å; I104-N108 PolarHBondContact O-N 3.28Å; I104-N108 PolarHBondContact O-OD1 2.96Å
105I91.2Very high89.1Confident3 Ų351.6 Ų51.62%0.01524%0.244CC..Hα-helixtrans-63.6-48.1-179.4-62.2169.6000110.5F26 I38 W43 M101 A102 R107 N108 L109F26-I105 HydrophobicContact CD2-CD1 4.4Å; F26-I105 HydrophobicContact CD2-CG1 4.03Å; F26-I105 HydrophobicContact CE1-CG1 4.31Å; F26-I105 HydrophobicContact CE2-CD1 3.65Å; F26-I105 HydrophobicContact CE2-CG1 3.62Å; F26-I105 HydrophobicContact CZ-CD1 3.95Å; F26-I105 HydrophobicContact CZ-CG1 3.77Å; I38-I105 HydrophobicContact CG2-CG2 3.73Å; W43-I105 HydrophobicContact CD2-CB 4.07Å; W43-I105 HydrophobicContact CD2-CD1 4.3Å; W43-I105 HydrophobicContact CD2-CG2 3.68Å; W43-I105 HydrophobicContact CE3-CB 4.36Å; W43-I105 HydrophobicContact CE3-CD1 4.09Å; W43-I105 HydrophobicContact CE3-CG2 4.41Å; W43-I105 HydrophobicContact CG-CB 4.26Å; W43-I105 HydrophobicContact CG-CG2 3.71Å; W43-I105 HydrophobicContact CH2-CD1 3.7Å; W43-I105 HydrophobicContact CZ2-CD1 3.93Å; W43-I105 HydrophobicContact CZ2-CG2 4.25Å; W43-I105 HydrophobicContact CZ3-CD1 3.79Å; M101-I105 HydrophobicContact CE-CD1 4.11Å; M101-I105 HydrophobicContact CG-CD1 3.89Å; M101-I105 HydrophobicContact CG-CG1 4.42Å; M101-I105 WeakPolarHBondContact O-CG1 3.49Å; M101-I105 PolarHBondContact O-N 2.78Å; M101-I105 HydrophobicContact SD-CD1 4.09Å; A102-I105 PolarHBondContact O-N 3.38Å; I105-R107 PolarHBondContact O-N 3.31Å; I105-N108 PolarHBondContact O-N 2.97Å; I105-L109 HydrophobicContact CG2-CD1 4.02Å; I105-L109 HydrophobicContact CG2-CG 4.37Å; I105-L109 WeakPolarHBondContact O-CG 3.43Å; I105-L109 PolarHBondContact O-N 3.43Å
106S91.6Very high89Confident13 Ų1347.3 Ų47.39%0.09123%0.225CC..Hα-helixtrans-56.8-49176.6163.80000111.4D44 A102 N108 L109 K110D44-S106 PolarHBondContact OD1-OG 2.86Å; A102-S106 WeakPolarHBondContact O-CB 3.16Å; A102-S106 PolarHBondContact O-N 2.85Å; S106-N108 PolarHBondContact O-N 3.19Å; S106-L109 PolarHBondContact O-N 2.89Å; S106-K110 WeakPolarHBondContact O-CG 3.39Å; S106-K110 PolarHBondContact O-N 3.4Å
107R89.9Confident89.2Confident123 Ų12342.5 Ų42.546%0.46421%0.207SC..Hα-helixtrans-59-48.3178.5-175.7-171.168.8178.80.2111.3M103 I104 I105 L109 K110 E111M103-R107 VanDerWaalsContact O-CB 3.24Å; M103-R107 WeakPolarHBondContact O-CB 3.31Å; M103-R107 PolarHBondContact O-N 3.05Å; I104-R107 PolarHBondContact O-N 2.9Å; I105-R107 PolarHBondContact O-N 3.31Å; R107-L109 PolarHBondContact O-N 3.18Å; R107-K110 PolarHBondContact O-N 3.06Å; R107-E111 WeakPolarHBondContact O-CG 3.32Å; R107-E111 PolarHBondContact O-N 2.94Å
108N90.3Very high89Confident3 Ų342.1 Ų42.12%0.01621%0.21CC..Hα-helixtrans-63.8-42-177.7-73.411.9000111.5L21 I104 I105 S106 K110 E111 E112L21-N108 PolarHBondContact O-ND2 3.48Å; I104-N108 WeakPolarHBondContact O-CB 3.45Å; I104-N108 VanDerWaalsContact O-CG 3.27Å; I104-N108 PolarHBondContact O-N 3.28Å; I104-N108 PolarHBondContact O-OD1 2.96Å; I105-N108 PolarHBondContact O-N 2.97Å; S106-N108 PolarHBondContact O-N 3.19Å; N108-K110 VanDerWaalsContact C-N 3.34Å; N108-K110 PolarHBondContact O-N 3.02Å; N108-E111 PolarHBondContact O-N 3.42Å; N108-E112 WeakPolarHBondContact O-CB 3.24Å; N108-E112 WeakPolarHBondContact O-CG 3.36Å; N108-E112 PolarHBondContact O-N 3.38Å
109L91.4Very high88.7Confident20 Ų2041.6 Ų41.611%0.10521%0.206CC..Hα-helixtrans-63.4-37.2175.2-70.2175.6000112.7Q3 I38 E39 I105 S106 R107 E112 Q113Q3-L109 PolarHBondContact NE2-O 3.5Å; Q3-L109 VanDerWaalsContact NE2-O 3.12Å; I38-L109 HydrophobicContact CG2-CD1 4.06Å; I38-L109 HydrophobicContact CG2-CD2 4.31Å; E39-L109 HydrophobicContact CG-CD2 4.45Å; I105-L109 HydrophobicContact CG2-CD1 4.02Å; I105-L109 HydrophobicContact CG2-CG 4.37Å; I105-L109 WeakPolarHBondContact O-CG 3.43Å; I105-L109 PolarHBondContact O-N 3.43Å; S106-L109 PolarHBondContact O-N 2.89Å; R107-L109 PolarHBondContact O-N 3.18Å; L109-E112 WeakPolarHBondContact O-CB 3.24Å; L109-Q113 WeakPolarHBondContact O-CG 3.12Å; L109-Q113 PolarHBondContact O-N 3.35Å; L109-Q113 VanDerWaalsContact O-N 3.12Å
110K90.3Very high88.4Confident87 Ų8746.1 Ų46.138%0.37822%0.224SC..Hα-helixtrans-67.9-42.2175.2-75.9174.8175.4170.20112.3D44 S106 R107 N108 Q113 K114D44-K110 WeakPolarHBondContact OD1-CE 3.25Å; D44-K110 IonicContact OD1-NZ 3.72Å; D44-K110 PolarHBondContact OD1-NZ 3.38Å; D44-K110 WeakPolarHBondContact OD2-CE 3.38Å; D44-K110 IonicContact OD2-NZ 3.02Å; D44-K110 PolarHBondContact OD2-NZ 3.18Å; S106-K110 WeakPolarHBondContact O-CG 3.39Å; S106-K110 PolarHBondContact O-N 3.4Å; R107-K110 PolarHBondContact O-N 3.06Å; N108-K110 VanDerWaalsContact C-N 3.34Å; N108-K110 PolarHBondContact O-N 3.02Å; K110-Q113 PolarHBondContact O-N 2.94Å; K110-K114 WeakPolarHBondContact O-CG 3.49Å; K110-K114 PolarHBondContact O-N 3.24Å; K110-K114 VanDerWaalsContact O-N 3.09Å
111E87.1Confident88Confident64 Ų6449.3 Ų49.330%0.29924%0.236SC..Hα-helixtrans-65.9-40.4175.9-67.9-55.2141.400111.6L21 R107 N108 Q113 K114 I115L21-E111 HydrophobicContact CD1-CB 3.82Å; L21-E111 HydrophobicContact CD2-CB 3.75Å; L21-E111 HydrophobicContact CD2-CG 4.15Å; L21-E111 HydrophobicContact CG-CB 4.47Å; R107-E111 WeakPolarHBondContact O-CG 3.32Å; R107-E111 PolarHBondContact O-N 2.94Å; N108-E111 PolarHBondContact O-N 3.42Å; E111-Q113 VanDerWaalsContact C-N 3.31Å; E111-Q113 PolarHBondContact O-N 2.75Å; E111-K114 WeakPolarHBondContact O-CB 3.39Å; E111-K114 PolarHBondContact O-N 3.29Å; E111-K114 VanDerWaalsContact O-N 3.15Å; E111-K114 IonicContact OE1-NZ 2.82Å; E111-K114 PolarHBondContact OE1-NZ 3.39Å; E111-K114 WeakPolarHBondContact OE2-CD 3.1Å; E111-K114 IonicContact OE2-NZ 3.85Å; E111-I115 WeakPolarHBondContact O-CG1 3.37Å; E111-I115 PolarHBondContact O-N 3.04Å
112E90.4Very high87Confident0 Ų051 Ų510%025%0.25CS..Hα-helixtrans-56.2-42.7171.2-80.5-175.1176.600112.9Q3 W4 L7 L21 Y22 R31 N108 L109 K114 I115 L116Q3-E112 PolarHBondContact NE2-OE2 3.45Å; W4-E112 WeakPolarHBondContact CZ3-OE1 3.33Å; L7-E112 HydrophobicContact CD1-CB 3.81Å; L7-E112 HydrophobicContact CD1-CG 3.52Å; L7-E112 WeakPolarHBondContact CD1-OE2 3.2Å; L7-E112 HydrophobicContact CD2-CB 4.48Å; L21-E112 HydrophobicContact CD1-CG 4.14Å; Y22-E112 PolarHBondContact OH-OE1 3.33Å; R31-E112 IonicContact CZ-OE1 3.92Å; R31-E112 IonicContact CZ-OE2 3.71Å; R31-E112 IonicContact NE-OE1 3.25Å; R31-E112 PolarHBondContact NE-OE1 2.98Å; R31-E112 IonicContact NE-OE2 3.18Å; R31-E112 PolarHBondContact NE-OE2 3.18Å; R31-E112 IonicContact NH2-OE1 2.88Å; R31-E112 IonicContact NH2-OE2 3.97Å; R31-E112 PolarHBondContact NH2-OE2 3.12Å; N108-E112 WeakPolarHBondContact O-CB 3.24Å; N108-E112 WeakPolarHBondContact O-CG 3.36Å; N108-E112 PolarHBondContact O-N 3.38Å; L109-E112 WeakPolarHBondContact O-CB 3.24Å; E112-K114 VanDerWaalsContact C-N 3.35Å; E112-I115 PolarHBondContact O-N 2.91Å; E112-L116 PolarHBondContact O-N 3.49Å
113Q89.4Confident85.8Confident102 Ų10256.3 Ų56.348%0.47728%0.275SS..Hα-helixtrans-64.4-39.4176.5-74.8176.72.600112L109 K110 E111 I115 L116 V117L109-Q113 WeakPolarHBondContact O-CG 3.12Å; L109-Q113 PolarHBondContact O-N 3.35Å; L109-Q113 VanDerWaalsContact O-N 3.12Å; K110-Q113 PolarHBondContact O-N 2.94Å; E111-Q113 VanDerWaalsContact C-N 3.31Å; E111-Q113 PolarHBondContact O-N 2.75Å; Q113-I115 VanDerWaalsContact C-N 3.34Å; Q113-L116 PolarHBondContact O-N 2.76Å; Q113-V117 WeakPolarHBondContact O-CG2 3.09Å; Q113-V117 PolarHBondContact O-N 3.13Å
114K87.8Confident84.4Confident112 Ų11259.3 Ų59.349%0.48729%0.288SS..Hα-helixtrans-61.3-43.5173.9-68.2173.6-172.9171.60111.4K110 E111 E112 L116 V117 C118K110-K114 WeakPolarHBondContact O-CG 3.49Å; K110-K114 PolarHBondContact O-N 3.24Å; K110-K114 VanDerWaalsContact O-N 3.09Å; E111-K114 WeakPolarHBondContact O-CB 3.39Å; E111-K114 PolarHBondContact O-N 3.29Å; E111-K114 VanDerWaalsContact O-N 3.15Å; E111-K114 IonicContact OE1-NZ 2.82Å; E111-K114 PolarHBondContact OE1-NZ 3.39Å; E111-K114 WeakPolarHBondContact OE2-CD 3.1Å; E111-K114 IonicContact OE2-NZ 3.85Å; E112-K114 VanDerWaalsContact C-N 3.35Å; K114-L116 VanDerWaalsContact C-N 3.31Å; K114-L116 PolarHBondContact O-N 3.08Å; K114-V117 PolarHBondContact O-N 3.49Å; K114-C118 PolarHBondContact O-N 2.96Å; K114-C118 PolarHBondContact O-SG 2.95Å
115I87Confident82.7Confident10 Ų1067 Ų675%0.05132%0.323CS..Hα-helixtrans-58.5-45176.3-65.6168.9000110.4L7 L10 Y14 Q17 V18 L21 E111 E112 Q113 V117 C118 A119L7-I115 HydrophobicContact CD2-CG2 4.36Å; L10-I115 HydrophobicContact CD1-CG2 4.03Å; Y14-I115 HydrophobicContact CD1-CG2 4Å; Y14-I115 HydrophobicContact CG-CG2 4.31Å; Q17-I115 HydrophobicContact CB-CD1 3.83Å; Q17-I115 HydrophobicContact CB-CG1 4.37Å; V18-I115 HydrophobicContact CG2-CD1 3.93Å; V18-I115 HydrophobicContact CG2-CG2 4.42Å; L21-I115 HydrophobicContact CD1-CD1 3.84Å; E111-I115 WeakPolarHBondContact O-CG1 3.37Å; E111-I115 PolarHBondContact O-N 3.04Å; E112-I115 PolarHBondContact O-N 2.91Å; Q113-I115 VanDerWaalsContact C-N 3.34Å; I115-V117 PolarHBondContact O-N 3.09Å; I115-C118 PolarHBondContact O-N 3.27Å; I115-A119 WeakPolarHBondContact O-CB 3.06Å; I115-A119 PolarHBondContact O-N 3.26Å
116L87.8Confident80.6Confident13 Ų1369 Ų697%0.06834%0.344CS..Hα-helixtrans-62.6-40.7177-75.3166.8000112.9Q3 Q6 L7 L10 E112 Q113 K114 A119 K120Q3-L116 HydrophobicContact CG-CD1 3.84Å; Q6-L116 HydrophobicContact CB-CD1 4.47Å; Q6-L116 HydrophobicContact CB-CD2 3.91Å; L7-L116 HydrophobicContact CD2-CD1 4.12Å; L7-L116 HydrophobicContact CD2-CD2 3.89Å; L7-L116 HydrophobicContact CD2-CG 3.62Å; L7-L116 HydrophobicContact CG-CD1 4.19Å; L7-L116 HydrophobicContact CG-CD2 4.22Å; L7-L116 HydrophobicContact CG-CG 4.15Å; L10-L116 HydrophobicContact CD1-CD2 3.93Å; L10-L116 HydrophobicContact CD2-CD2 4.28Å; L10-L116 HydrophobicContact CG-CD2 4.3Å; E112-L116 PolarHBondContact O-N 3.49Å; Q113-L116 PolarHBondContact O-N 2.76Å; K114-L116 VanDerWaalsContact C-N 3.31Å; K114-L116 PolarHBondContact O-N 3.08Å; L116-A119 PolarHBondContact O-N 3.12Å; L116-K120 WeakPolarHBondContact O-CG 3.43Å; L116-K120 PolarHBondContact O-N 2.66Å; L116-K120 VanDerWaalsContact O-N 3.08Å
117V88.4Confident77.9Confident75 Ų7577.3 Ų77.346%0.45538%0.382SS..Hα-helixtrans-64.3-49.3176.6172.10000110.2Q113 K114 I115 A119 K120 E121Q113-V117 WeakPolarHBondContact O-CG2 3.09Å; Q113-V117 PolarHBondContact O-N 3.13Å; K114-V117 PolarHBondContact O-N 3.49Å; I115-V117 PolarHBondContact O-N 3.09Å; V117-A119 PolarHBondContact O-N 2.88Å; V117-K120 PolarHBondContact O-N 3.03Å; V117-E121 HydrophobicContact CG1-CG 4.48Å; V117-E121 WeakPolarHBondContact O-CG 3.33Å; V117-E121 PolarHBondContact O-N 3.12Å
118C83.5Confident75.4Confident63 Ų6375.2 Ų75.243%0.42640%0.398SS..Hα-helixtrans-61.6-31.6177.3-67.10000113.1Y14 K114 I115 A122Y14-C118 PolarHBondContact OH-O 3.34Å; K114-C118 PolarHBondContact O-N 2.96Å; K114-C118 PolarHBondContact O-SG 2.95Å; I115-C118 PolarHBondContact O-N 3.27Å; C118-A122 WeakPolarHBondContact O-CB 3.29Å; C118-A122 PolarHBondContact O-N 3.38Å
119A83.1Confident73.1Confident0 Ų079.1 Ų79.10%043%0.431CS..Hα-helixtrans-69.1-45174.700000112.2L10 Y14 I115 L116 V117 E121 A122 E123L10-A119 HydrophobicContact CD1-CB 4.06Å; L10-A119 HydrophobicContact CD2-CB 3.62Å; L10-A119 HydrophobicContact CG-CB 4.44Å; Y14-A119 HydrophobicContact CD1-CB 4.23Å; Y14-A119 HydrophobicContact CD2-CB 3.86Å; Y14-A119 HydrophobicContact CE1-CB 4.02Å; Y14-A119 HydrophobicContact CE2-CB 3.59Å; Y14-A119 HydrophobicContact CG-CB 4.17Å; Y14-A119 VanDerWaalsContact CZ-CA 3.46Å; I115-A119 WeakPolarHBondContact O-CB 3.06Å; I115-A119 PolarHBondContact O-N 3.26Å; L116-A119 PolarHBondContact O-N 3.12Å; V117-A119 PolarHBondContact O-N 2.88Å; A119-E121 PolarHBondContact O-N 3.26Å; A119-A122 PolarHBondContact O-N 3.26Å; A119-E123 WeakPolarHBondContact O-CG 3.46Å; A119-E123 PolarHBondContact O-N 3.37Å
120K82.3Confident70.7Confident115 Ų11584.2 Ų84.250%0.546%0.463SS..Hα-helixtrans-64.5-38.7177.9-72.5175.2-178.3178.10112.7L116 V117 A122 E123 Q124L116-K120 WeakPolarHBondContact O-CG 3.43Å; L116-K120 PolarHBondContact O-N 2.66Å; L116-K120 VanDerWaalsContact O-N 3.08Å; V117-K120 PolarHBondContact O-N 3.03Å; K120-A122 VanDerWaalsContact C-N 3.33Å; K120-E123 PolarHBondContact O-N 2.79Å; K120-Q124 WeakPolarHBondContact O-CG 3.45Å; K120-Q124 PolarHBondContact O-N 3.37Å
121E79.3Confident69Low114 Ų11483.1 Ų83.153%0.53347%0.466SS..Hα-helixtrans-63.7-39.8175.5-71.5172.9169.400111.4V117 A119 Q124V117-E121 HydrophobicContact CG1-CG 4.48Å; V117-E121 WeakPolarHBondContact O-CG 3.33Å; V117-E121 PolarHBondContact O-N 3.12Å; A119-E121 PolarHBondContact O-N 3.26Å; E121-Q124 PolarHBondContact O-N 2.99Å
122A69.8Low67.4Low37 Ų3783.1 Ų83.131%0.30648%0.477SS..Hα-helixtrans-73-30.4177.700000113.8Y14 C118 A119 K120 G126Y14-A122 WeakPolarHBondContact OH-CB 3.49Å; C118-A122 WeakPolarHBondContact O-CB 3.29Å; C118-A122 PolarHBondContact O-N 3.38Å; A119-A122 PolarHBondContact O-N 3.26Å; K120-A122 VanDerWaalsContact C-N 3.33Å; A122-G126 PolarHBondContact O-N 3.01Å
123E65.6Low65.9Low111 Ų11186.2 Ų86.252%0.51949%0.492SS..Hα-helixtrans-67.1-38.7173.7-77.9176.9174.300111.6A119 K120 E125 G126 E127A119-E123 WeakPolarHBondContact O-CG 3.46Å; A119-E123 PolarHBondContact O-N 3.37Å; K120-E123 PolarHBondContact O-N 2.79Å; E123-E125 VanDerWaalsContact C-N 3.28Å; E123-E125 PolarHBondContact O-N 2.94Å; E123-G126 PolarHBondContact O-N 2.88Å; E123-G126 VanDerWaalsContact O-N 3.09Å; E123-E127 PolarHBondContact O-N 3.44Å
124Q57.3Low64.7Low160 Ų16085.4 Ų85.475%0.74849%0.494SS*.Hα-helixtrans-66.9-25.7178.2-73-177.90.200113.6K120 E121K120-Q124 WeakPolarHBondContact O-CG 3.45Å; K120-Q124 PolarHBondContact O-N 3.37Å; E121-Q124 PolarHBondContact O-N 2.99Å
125E52.8Low63.6Low183 Ų18383.3 Ų83.386%0.85549%0.49SS*.THydrogen-bonded Turntrans-87.3-7.8173.7-68.6-172.7159.300113.3E123E123-E125 VanDerWaalsContact C-N 3.28Å; E123-E125 PolarHBondContact O-N 2.94Å
126G47.9Very low62.6Low44 Ų4487.6 Ų87.645%0.45451%0.51SS..  trans-129.918.1-162.900000117.2A122 E123 G128A122-G126 PolarHBondContact O-N 3.01Å; E123-G126 PolarHBondContact O-N 2.88Å; E123-G126 VanDerWaalsContact O-N 3.09Å; G126-G128 PolarHBondContact O-N 3.39Å
127E35.7Very low61.9Low188 Ų18888.5 Ų88.588%0.87951%0.514SS*.THydrogen-bonded Turntrans-61.99.4-173.9-87.7-169.916300117E123E123-E127 PolarHBondContact O-N 3.44Å
128G37.5Very low61.4Low79 Ų7990.4 Ų90.481%0.81452%0.518SS*.THydrogen-bonded Turntrans-103.4-9-176.900000117.7G126G126-G128 PolarHBondContact O-N 3.39Å
129A40.8Very low61.3Low85 Ų8593.4 Ų93.470%0.70252%0.523SS*.  trans-124.958.4-164.200000114.2S131A129-S131 VanDerWaalsContact C-N 3.29Å; A129-S131 PolarHBondContact O-N 3.33Å
130V42.1Very low61.4Low127 Ų12793.8 Ų93.877%0.7753%0.526SS*.SBendtrans-61.2104.1151.7-176.50000105.7A132V130-A132 PolarHBondContact O-N 2.96Å; V130-A132 VanDerWaalsContact O-N 3.12Å
131S53.3Low61.7Low63 Ų6391.5 Ų91.544%0.44152%0.519SS..  trans-44.3117-166.1-176.70000111.5A129 M133 V134A129-S131 VanDerWaalsContact C-N 3.29Å; A129-S131 PolarHBondContact O-N 3.33Å; S131-M133 PolarHBondContact O-N 2.72Å; S131-V134 PolarHBondContact O-N 2.98Å
132A54.9Low62.1Low65 Ų6590.8 Ų90.854%0.53752%0.518SS..Hα-helixtrans-47.4-30.7178.600000112.6V130 V134 V135 E136V130-A132 PolarHBondContact O-N 2.96Å; V130-A132 VanDerWaalsContact O-N 3.12Å; A132-V134 PolarHBondContact O-N 2.78Å; A132-V135 PolarHBondContact O-N 3.07Å; A132-E136 WeakPolarHBondContact O-CG 3.35Å; A132-E136 PolarHBondContact O-N 2.66Å
133M58.9Low63Low64 Ų6492.3 Ų92.332%0.31552%0.518SS..Hα-helixtrans-59.1-36.3174.7-167.2-175.4-174.700114.1S131 K137S131-M133 PolarHBondContact O-N 2.72Å; M133-K137 HydrophobicContact CG-CD 4.44Å; M133-K137 WeakPolarHBondContact O-CB 3.23Å; M133-K137 WeakPolarHBondContact O-CG 3.45Å; M133-K137 PolarHBondContact O-N 3.36Å
134V64.3Low64.2Low86 Ų8687.5 Ų87.552%0.52150%0.497SS..Hα-helixtrans-71.5-39.9178.4177.50000110.4S131 A132 Q138S131-V134 PolarHBondContact O-N 2.98Å; A132-V134 PolarHBondContact O-N 2.78Å; V134-Q138 WeakPolarHBondContact O-CB 3.43Å; V134-Q138 PolarHBondContact O-N 2.99Å; V134-Q138 VanDerWaalsContact O-N 3.12Å
135V64.1Low65.9Low67 Ų6786.2 Ų86.241%0.40649%0.489SS..Hα-helixtrans-68.3-41.1178.9179.40000111.2A132 Q138 K139A132-V135 PolarHBondContact O-N 3.07Å; V135-Q138 PolarHBondContact O-N 3.43Å; V135-K139 WeakPolarHBondContact O-CG 3.47Å; V135-K139 PolarHBondContact O-N 3.49Å
136E66.6Low67.8Low101 Ų10181.4 Ų81.447%0.47247%0.466SS..Hα-helixtrans-65.1-44176.9-75.4178.9165.100112.4A132 Q138 K139 L140A132-E136 WeakPolarHBondContact O-CG 3.35Å; A132-E136 PolarHBondContact O-N 2.66Å; E136-Q138 VanDerWaalsContact C-N 3.32Å; E136-Q138 PolarHBondContact O-N 3.21Å; E136-K139 WeakPolarHBondContact O-CB 3.4Å; E136-K139 PolarHBondContact O-N 3.01Å; E136-K139 VanDerWaalsContact O-N 3.14Å; E136-L140 PolarHBondContact O-N 3.04Å
137K71.6Confident69.9Low31 Ų3179.3 Ų79.314%0.13544%0.444CS..Hα-helixtrans-61.4-39.7176.1-73.1178.2168.3-155.80112.9M133 K139 L140 D141 Q256 W260M133-K137 HydrophobicContact CG-CD 4.44Å; M133-K137 WeakPolarHBondContact O-CB 3.23Å; M133-K137 WeakPolarHBondContact O-CG 3.45Å; M133-K137 PolarHBondContact O-N 3.36Å; K137-K139 VanDerWaalsContact C-N 3.3Å; K137-K139 PolarHBondContact O-N 3.16Å; K137-L140 PolarHBondContact O-N 2.65Å; K137-D141 PolarHBondContact O-N 2.99Å; K137-Q256 VanDerWaalsContact NZ-OE1 3.07Å; K137-W260 HydrophobicContact CB-CH2 4.45Å; K137-W260 HydrophobicContact CG-CH2 4.19Å
138Q77.9Confident72.7Confident116 Ų11674.4 Ų74.454%0.54242%0.42SS..Hα-helixtrans-66.6-32177.7-165.2167.914.900112.4V134 V135 E136 L140 N142V134-Q138 WeakPolarHBondContact O-CB 3.43Å; V134-Q138 PolarHBondContact O-N 2.99Å; V134-Q138 VanDerWaalsContact O-N 3.12Å; V135-Q138 PolarHBondContact O-N 3.43Å; E136-Q138 VanDerWaalsContact C-N 3.32Å; E136-Q138 PolarHBondContact O-N 3.21Å; Q138-L140 VanDerWaalsContact C-N 3.34Å; Q138-N142 PolarHBondContact O-N 3.46Å; Q138-N142 PolarHBondContact O-ND2 3.08Å
139K82.3Confident75.3Confident125 Ų12574.5 Ų74.554%0.54340%0.402SS..Hα-helixtrans-63.1-41.7172.1-69.3171-176.3171.20111.3V135 E136 K137 N142 K143V135-K139 WeakPolarHBondContact O-CG 3.47Å; V135-K139 PolarHBondContact O-N 3.49Å; E136-K139 WeakPolarHBondContact O-CB 3.4Å; E136-K139 PolarHBondContact O-N 3.01Å; E136-K139 VanDerWaalsContact O-N 3.14Å; K137-K139 VanDerWaalsContact C-N 3.3Å; K137-K139 PolarHBondContact O-N 3.16Å; K139-N142 PolarHBondContact O-N 2.94Å; K139-K143 PolarHBondContact O-N 2.87Å
140L84.7Confident77.8Confident9 Ų973.2 Ų73.25%0.04738%0.38CS..Hα-helixtrans-71.2-39.1-179.8-163.863.1000112E136 K137 Q138 N142 K143 V144 L225 D228 L229 E233 W260E136-L140 PolarHBondContact O-N 3.04Å; K137-L140 PolarHBondContact O-N 2.65Å; Q138-L140 VanDerWaalsContact C-N 3.34Å; L140-N142 VanDerWaalsContact C-N 3.27Å; L140-N142 PolarHBondContact O-N 3.45Å; L140-K143 HydrophobicContact CD1-CD 4.41Å; L140-K143 PolarHBondContact O-N 3.37Å; L140-V144 WeakPolarHBondContact O-CG2 3.31Å; L140-V144 PolarHBondContact O-N 2.99Å; L140-L225 HydrophobicContact CD1-CG 4.34Å; L140-D228 HydrophobicContact CD1-CB 4.18Å; L140-L229 HydrophobicContact CD2-CD2 3.73Å; L140-L229 HydrophobicContact CD2-CG 4.44Å; L140-E233 HydrophobicContact CD2-CG 3.59Å; L140-W260 HydrophobicContact CB-CZ2 4.29Å; L140-W260 HydrophobicContact CD2-CD2 3.98Å; L140-W260 HydrophobicContact CD2-CE3 3.68Å; L140-W260 HydrophobicContact CD2-CH2 3.9Å; L140-W260 HydrophobicContact CD2-CZ2 4.17Å; L140-W260 HydrophobicContact CD2-CZ3 3.66Å; L140-W260 HydrophobicContact CG-CD2 4.47Å
141D87.8Confident80.3Confident67 Ų6767.1 Ų67.136%0.35834%0.344SS..Hα-helixtrans-55.7-43.6170.4-77.1-44000111.6K137 V144 K145 W260K137-D141 PolarHBondContact O-N 2.99Å; D141-V144 PolarHBondContact O-N 3.48Å; D141-K145 WeakPolarHBondContact O-CB 3.19Å; D141-K145 PolarHBondContact O-N 3.49Å; D141-W260 PolarHBondContact OD1-NE1 3.18Å
142N88.6Confident82.2Confident98 Ų9870.1 Ų70.152%0.52435%0.351SS..Hα-helixtrans-64.5-42.4176.2-69.6-22.6000112.4Q138 K139 L140 K145 E146Q138-N142 PolarHBondContact O-N 3.46Å; Q138-N142 PolarHBondContact O-ND2 3.08Å; K139-N142 PolarHBondContact O-N 2.94Å; L140-N142 VanDerWaalsContact C-N 3.27Å; L140-N142 PolarHBondContact O-N 3.45Å; N142-K145 PolarHBondContact O-N 3.37Å; N142-E146 WeakPolarHBondContact O-CB 3.46Å; N142-E146 PolarHBondContact O-N 3.43Å
143K89.1Confident84.1Confident69 Ų6972.6 Ų72.630%0.335%0.35SS..Hα-helixtrans-63-40.7175.3-72.1-173.5-175.1-176.40112.2K139 L140 K145 E146 L147 L225 D228K139-K143 PolarHBondContact O-N 2.87Å; L140-K143 HydrophobicContact CD1-CD 4.41Å; L140-K143 PolarHBondContact O-N 3.37Å; K143-K145 VanDerWaalsContact C-N 3.33Å; K143-E146 PolarHBondContact O-N 2.91Å; K143-L147 PolarHBondContact O-N 3.43Å; K143-L225 HydrophobicContact CB-CD1 4.03Å; K143-D228 IonicContact NZ-OD2 2.72Å; K143-D228 PolarHBondContact NZ-OD2 2.88Å
144V91.2Very high85.7Confident11 Ų1169.6 Ų69.67%0.06734%0.335CS..Hα-helixtrans-65.6-38.9176.6171.70000110.8L140 D141 L147 K148 L225 W260 A263L140-V144 WeakPolarHBondContact O-CG2 3.31Å; L140-V144 PolarHBondContact O-N 2.99Å; D141-V144 PolarHBondContact O-N 3.48Å; V144-L147 WeakPolarHBondContact O-CB 3.4Å; V144-L147 PolarHBondContact O-N 3.07Å; V144-K148 PolarHBondContact O-N 3.05Å; V144-K148 VanDerWaalsContact O-N 3.14Å; V144-L225 HydrophobicContact CB-CD1 4.45Å; V144-L225 HydrophobicContact CG2-CD1 3.79Å; V144-L225 HydrophobicContact CG2-CD2 4.13Å; V144-L225 HydrophobicContact CG2-CG 4.39Å; V144-W260 HydrophobicContact CG2-CB 4.3Å; V144-W260 HydrophobicContact CG2-CG 4.19Å; V144-A263 HydrophobicContact CG1-CB 3.54Å
145K91.6Very high87.1Confident133 Ų13368.5 Ų68.558%0.57833%0.326SS*.Hα-helixtrans-65-47.1174.2-172.2-179.8176.5-175.60111.7D141 N142 K143 L147 K148 D149D141-K145 WeakPolarHBondContact O-CB 3.19Å; D141-K145 PolarHBondContact O-N 3.49Å; N142-K145 PolarHBondContact O-N 3.37Å; K143-K145 VanDerWaalsContact C-N 3.33Å; K145-L147 VanDerWaalsContact C-N 3.25Å; K145-L147 PolarHBondContact O-N 3.01Å; K145-K148 PolarHBondContact O-N 3.34Å; K145-K148 VanDerWaalsContact O-N 3.08Å; K145-D149 VanDerWaalsContact O-CG 3.31Å; K145-D149 PolarHBondContact O-N 3.48Å
146E92.8Very high88.5Confident81 Ų8169.9 Ų69.938%0.37933%0.328SS..Hα-helixtrans-56.3-41.1175.4-172.6-166.5157.200111.7N142 K143 D149 K150 L221N142-E146 WeakPolarHBondContact O-CB 3.46Å; N142-E146 PolarHBondContact O-N 3.43Å; K143-E146 PolarHBondContact O-N 2.91Å; E146-D149 PolarHBondContact O-N 3.33Å; E146-K150 HydrophobicContact CG-CD 4.34Å; E146-K150 WeakPolarHBondContact O-CB 3.47Å; E146-K150 WeakPolarHBondContact O-CG 3.47Å; E146-K150 PolarHBondContact O-N 2.98Å; E146-K150 WeakPolarHBondContact OE1-CE 3.45Å; E146-K150 IonicContact OE1-NZ 2.94Å; E146-K150 PolarHBondContact OE1-NZ 3.44Å; E146-L221 HydrophobicContact CG-CD2 4.29Å
147L93.1Very high89.7Confident0 Ų066.3 Ų66.30%031%0.312CS..Hα-helixtrans-58.6-50.9174.6177.264.2000111K143 V144 K145 D149 K150 V151 L218 L221 T222 L225 V264K143-L147 PolarHBondContact O-N 3.43Å; V144-L147 WeakPolarHBondContact O-CB 3.4Å; V144-L147 PolarHBondContact O-N 3.07Å; K145-L147 VanDerWaalsContact C-N 3.25Å; K145-L147 PolarHBondContact O-N 3.01Å; L147-D149 VanDerWaalsContact C-N 3.33Å; L147-D149 PolarHBondContact O-N 2.91Å; L147-K150 PolarHBondContact O-N 3.03Å; L147-V151 HydrophobicContact CD1-CG2 4.3Å; L147-V151 VanDerWaalsContact O-CG2 3.25Å; L147-V151 WeakPolarHBondContact O-CG2 3.43Å; L147-V151 PolarHBondContact O-N 3.44Å; L147-L218 HydrophobicContact CD1-CD1 3.6Å; L147-L221 HydrophobicContact CB-CD2 4.39Å; L147-L221 HydrophobicContact CD1-CD2 4.41Å; L147-T222 VanDerWaalsContact CD1-OG1 3.28Å; L147-T222 WeakPolarHBondContact CD1-OG1 3.5Å; L147-L225 HydrophobicContact CB-CD1 4.41Å; L147-L225 HydrophobicContact CD2-CD1 4.23Å; L147-V264 HydrophobicContact CD2-CB 4.47Å; L147-V264 HydrophobicContact CD2-CG2 4.05Å
148K92.7Very high90.8Very high86 Ų8665.2 Ų65.237%0.37431%0.307SS..Hα-helixtrans-59-44.5178.9-71.7-171.2177.1-163.40112.2V144 K145 K150 V151 Q152V144-K148 PolarHBondContact O-N 3.05Å; V144-K148 VanDerWaalsContact O-N 3.14Å; K145-K148 PolarHBondContact O-N 3.34Å; K145-K148 VanDerWaalsContact O-N 3.08Å; K148-K150 VanDerWaalsContact C-N 3.33Å; K148-K150 PolarHBondContact O-N 3.02Å; K148-V151 PolarHBondContact O-N 2.9Å; K148-Q152 WeakPolarHBondContact O-CG 3.47Å; K148-Q152 PolarHBondContact O-N 2.98Å
149D93.3Very high91.5Very high81 Ų8165.3 Ų65.343%0.43331%0.306SS..Hα-helixtrans-63-40.8-179.8-64.3-17.2000110.9K145 E146 L147 Q152 F153K145-D149 VanDerWaalsContact O-CG 3.31Å; K145-D149 PolarHBondContact O-N 3.48Å; E146-D149 PolarHBondContact O-N 3.33Å; L147-D149 VanDerWaalsContact C-N 3.33Å; L147-D149 PolarHBondContact O-N 2.91Å; D149-Q152 PolarHBondContact O-N 3.25Å; D149-F153 WeakPolarHBondContact O-CB 3.26Å; D149-F153 PolarHBondContact O-N 2.95Å
150K93.6Very high92.1Very high57 Ų5763.2 Ų63.225%0.24830%0.301CS..Hα-helixtrans-68-36.5175.8-75.3178.5167.4169.70113.2E146 L147 K148 F153 M154 F214 L218 L221E146-K150 HydrophobicContact CG-CD 4.34Å; E146-K150 WeakPolarHBondContact O-CB 3.47Å; E146-K150 WeakPolarHBondContact O-CG 3.47Å; E146-K150 PolarHBondContact O-N 2.98Å; E146-K150 WeakPolarHBondContact OE1-CE 3.45Å; E146-K150 IonicContact OE1-NZ 2.94Å; E146-K150 PolarHBondContact OE1-NZ 3.44Å; L147-K150 PolarHBondContact O-N 3.03Å; K148-K150 VanDerWaalsContact C-N 3.33Å; K148-K150 PolarHBondContact O-N 3.02Å; K150-F153 PolarHBondContact O-N 3.41Å; K150-M154 PolarHBondContact O-N 3.38Å; K150-F214 HydrophobicContact CB-CZ 3.91Å; K150-F214 HydrophobicContact CG-CZ 4.03Å; K150-F214 WeakPolarHBondContact O-CE1 3.33Å; K150-L218 HydrophobicContact CB-CD1 3.73Å; K150-L221 HydrophobicContact CD-CD2 3.72Å
151V93.7Very high92.5Very high0 Ų062.8 Ų62.80%030%0.299CS..Hα-helixtrans-65.8-43.1175.6-176.50000110.5L147 K148 F153 M154 D155 L218 Q270L147-V151 HydrophobicContact CD1-CG2 4.3Å; L147-V151 VanDerWaalsContact O-CG2 3.25Å; L147-V151 WeakPolarHBondContact O-CG2 3.43Å; L147-V151 PolarHBondContact O-N 3.44Å; K148-V151 PolarHBondContact O-N 2.9Å; V151-F153 VanDerWaalsContact C-N 3.32Å; V151-F153 PolarHBondContact O-N 3.26Å; V151-M154 WeakPolarHBondContact O-CB 3.35Å; V151-M154 PolarHBondContact O-N 3.45Å; V151-M154 VanDerWaalsContact O-N 3.12Å; V151-D155 PolarHBondContact O-N 3.25Å; V151-L218 HydrophobicContact CG2-CD1 3.93Å; V151-L218 HydrophobicContact CG2-CD2 4.03Å; V151-L218 HydrophobicContact CG2-CG 4.49Å; V151-Q270 HydrophobicContact CG1-CB 3.59Å; V151-Q270 HydrophobicContact CG1-CG 4.34Å
152Q93.3Very high92.8Very high125 Ų12561.7 Ų61.758%0.58429%0.291SS*.Hα-helixtrans-63.7-37.8174.9-70.9-178.8-000112.3K148 D149 M154 D155 Q156K148-Q152 WeakPolarHBondContact O-CG 3.47Å; K148-Q152 PolarHBondContact O-N 2.98Å; D149-Q152 PolarHBondContact O-N 3.25Å; Q152-M154 VanDerWaalsContact C-N 3.29Å; Q152-M154 PolarHBondContact O-N 2.96Å; Q152-D155 WeakPolarHBondContact O-CB 3.26Å; Q152-D155 PolarHBondContact O-N 3.41Å; Q152-Q156 PolarHBondContact O-N 3.5Å
153F94.6Very high93.1Very high117 Ų11761 Ų6151%0.51329%0.287SS..Hα-helixtrans-63.1-37.7173.5-175.2-104.9000111.8D149 K150 V151 Q156 M157 F214D149-F153 WeakPolarHBondContact O-CB 3.26Å; D149-F153 PolarHBondContact O-N 2.95Å; K150-F153 PolarHBondContact O-N 3.41Å; V151-F153 VanDerWaalsContact C-N 3.32Å; V151-F153 PolarHBondContact O-N 3.26Å; F153-Q156 PolarHBondContact O-N 2.89Å; F153-M157 HydrophobicContact CD1-CG 4.1Å; F153-M157 HydrophobicContact CD1-SD 3.83Å; F153-M157 HydrophobicContact CE1-CG 3.77Å; F153-M157 HydrophobicContact CE1-SD 3.35Å; F153-M157 WeakPolarHBondContact CE1-SD 3.49Å; F153-M157 HydrophobicContact CZ-CG 4.1Å; F153-M157 HydrophobicContact CZ-SD 4.12Å; F153-M157 WeakPolarHBondContact O-CG 3.47Å; F153-M157 PolarHBondContact O-N 2.95Å; F153-F214 HydrophobicContact CB-CE1 4.49Å; F153-F214 HydrophobicContact CB-CZ 4.44Å; F153-F214 HydrophobicContact CD1-CD1 4.25Å; F153-F214 AromaticContact CD1-CE1 3.63Å; F153-F214 HydrophobicContact CD1-CE1 3.63Å; F153-F214 HydrophobicContact CD1-CE2 4.13Å; F153-F214 AromaticContact CD1-CZ 3.56Å; F153-F214 HydrophobicContact CD1-CZ 3.56Å; F153-F214 HydrophobicContact CE1-CE1 4.44Å; F153-F214 HydrophobicContact CE1-CE2 4.49Å; F153-F214 HydrophobicContact CE1-CZ 4.33Å; F153-F214 HydrophobicContact CG-CZ 4.45Å
154M93.4Very high93.2Very high1 Ų158.9 Ų58.91%0.00528%0.279CS..Hα-helixtrans-62.8-41.6173.5-177.663.184.400112.3K150 V151 Q152 Q156 M157 L158 V211 F214 L215 H274K150-M154 PolarHBondContact O-N 3.38Å; V151-M154 WeakPolarHBondContact O-CB 3.35Å; V151-M154 PolarHBondContact O-N 3.45Å; V151-M154 VanDerWaalsContact O-N 3.12Å; Q152-M154 VanDerWaalsContact C-N 3.29Å; Q152-M154 PolarHBondContact O-N 2.96Å; M154-Q156 VanDerWaalsContact C-N 3.27Å; M154-Q156 PolarHBondContact O-N 2.7Å; M154-M157 PolarHBondContact O-N 3.18Å; M154-L158 HydrophobicContact CG-CD1 4.15Å; M154-L158 HydrophobicContact CG-CG 4.48Å; M154-L158 PolarHBondContact O-N 3.25Å; M154-L158 HydrophobicContact SD-CD1 4.46Å; M154-L158 HydrophobicContact SD-CG 4.3Å; M154-V211 WeakPolarHBondContact CE-O 3.45Å; M154-V211 HydrophobicContact SD-CG1 3.97Å; M154-F214 HydrophobicContact CB-CD1 4.23Å; M154-F214 HydrophobicContact CB-CE1 3.99Å; M154-F214 HydrophobicContact CE-CB 4.02Å; M154-F214 HydrophobicContact CE-CD1 3.28Å; M154-F214 HydrophobicContact CE-CE1 4.1Å; M154-F214 HydrophobicContact CE-CG 4.07Å; M154-F214 HydrophobicContact SD-CD1 3.97Å; M154-L215 VanDerWaalsContact CE-CA 3.4Å; M154-L215 HydrophobicContact CE-CB 3.53Å; M154-L215 HydrophobicContact CE-CD1 3.85Å; M154-L215 HydrophobicContact CE-CG 4.27Å; M154-H274 VanDerWaalsContact CG-ND1 3.29Å; M154-H274 WeakPolarHBondContact CG-ND1 3.17Å
155D92.4Very high93.3Very high63 Ų6358.3 Ų58.334%0.33728%0.276SS..Hα-helixtrans-54.3-47173.9-75.9-50.8000110.9V151 Q152 L158 K159 H274V151-D155 PolarHBondContact O-N 3.25Å; Q152-D155 WeakPolarHBondContact O-CB 3.26Å; Q152-D155 PolarHBondContact O-N 3.41Å; D155-L158 PolarHBondContact O-N 3.4Å; D155-K159 WeakPolarHBondContact O-CB 3.25Å; D155-K159 PolarHBondContact O-N 2.73Å; D155-H274 VanDerWaalsContact CG-NE2 3.32Å; D155-H274 IonicContact OD1-CD2 2.92Å; D155-H274 PolarHBondContact OD1-CD2 2.98Å; D155-H274 IonicContact OD1-CE1 2.97Å; D155-H274 IonicContact OD1-NE2 3.69Å; D155-H274 PolarHBondContact OD1-NE2 3.36Å; D155-H274 IonicContact OD2-NE2 2.78Å
156Q94.1Very high93.4Very high96 Ų9655.2 Ų55.245%0.44927%0.266SS..Hα-helixtrans-66.3-40.6178.9-171.461.656.700112.2Q152 F153 M154 K159 N160Q152-Q156 PolarHBondContact O-N 3.5Å; F153-Q156 PolarHBondContact O-N 2.89Å; M154-Q156 VanDerWaalsContact C-N 3.27Å; M154-Q156 PolarHBondContact O-N 2.7Å; Q156-K159 PolarHBondContact O-N 3.13Å; Q156-N160 PolarHBondContact NE2-OD1 3.36Å; Q156-N160 WeakPolarHBondContact O-CB 3.33Å; Q156-N160 PolarHBondContact O-N 3.31Å; Q156-N160 PolarHBondContact O-ND2 3.14Å; Q156-N160 PolarHBondContact O-OD1 3.33Å
157M92.9Very high93.3Very high27 Ų2755.9 Ų55.913%0.13327%0.269CS..Hα-helixtrans-61.8-43.4175.9-75.4-170.870.600112.1F153 M154 N160 L161 E210 V211 F214F153-M157 HydrophobicContact CD1-CG 4.1Å; F153-M157 HydrophobicContact CD1-SD 3.83Å; F153-M157 HydrophobicContact CE1-CG 3.77Å; F153-M157 HydrophobicContact CE1-SD 3.35Å; F153-M157 WeakPolarHBondContact CE1-SD 3.49Å; F153-M157 HydrophobicContact CZ-CG 4.1Å; F153-M157 HydrophobicContact CZ-SD 4.12Å; F153-M157 WeakPolarHBondContact O-CG 3.47Å; F153-M157 PolarHBondContact O-N 2.95Å; M154-M157 PolarHBondContact O-N 3.18Å; M157-N160 PolarHBondContact O-N 2.85Å; M157-L161 WeakPolarHBondContact O-CB 3.28Å; M157-L161 PolarHBondContact O-N 3.02Å; M157-E210 HydrophobicContact CE-CB 3.87Å; M157-V211 HydrophobicContact CB-CG2 4.22Å; M157-V211 HydrophobicContact CE-CG2 3.96Å; M157-F214 HydrophobicContact SD-CB 4.41Å; M157-F214 HydrophobicContact SD-CD1 3.91Å; M157-F214 HydrophobicContact SD-CG 4.2Å
158L93.2Very high93.2Very high7 Ų756.7 Ų56.74%0.03727%0.272CS..Hα-helixtrans-67.5-40178.6-80.8172.8000112.2M154 D155 L161 E162 V211 H274 M278M154-L158 HydrophobicContact CG-CD1 4.15Å; M154-L158 HydrophobicContact CG-CG 4.48Å; M154-L158 PolarHBondContact O-N 3.25Å; M154-L158 HydrophobicContact SD-CD1 4.46Å; M154-L158 HydrophobicContact SD-CG 4.3Å; D155-L158 PolarHBondContact O-N 3.4Å; L158-L161 HydrophobicContact CD2-CD2 4.45Å; L158-L161 PolarHBondContact O-N 3.36Å; L158-E162 WeakPolarHBondContact O-CB 3.15Å; L158-E162 PolarHBondContact O-N 2.93Å; L158-V211 HydrophobicContact CD2-CG1 3.71Å; L158-V211 HydrophobicContact CG-CG1 4.32Å; L158-H274 HydrophobicContact CD1-CB 3.48Å; L158-H274 VanDerWaalsContact CD1-CB 3.48Å; L158-M278 HydrophobicContact CD2-CG 3.65Å; L158-M278 HydrophobicContact CD2-SD 4.49Å
159K94.1Very high93Very high118 Ų11854.4 Ų54.451%0.51326%0.264SS..Hα-helixtrans-60.8-47.4174.1-174.1175.9-179.9-179.80111.5D155 Q156 L161 E162 D163D155-K159 WeakPolarHBondContact O-CB 3.25Å; D155-K159 PolarHBondContact O-N 2.73Å; Q156-K159 PolarHBondContact O-N 3.13Å; K159-L161 VanDerWaalsContact C-N 3.27Å; K159-L161 PolarHBondContact O-N 2.69Å; K159-E162 PolarHBondContact O-N 2.85Å; K159-D163 VanDerWaalsContact O-CG 3.3Å; K159-D163 PolarHBondContact O-N 3.06Å
160N93.8Very high92.8Very high81 Ų8157.5 Ų57.543%0.43327%0.274SS..Hα-helixtrans-61.7-36.6176.8-66-8.1000112.2Q156 M157 L164Q156-N160 PolarHBondContact NE2-OD1 3.36Å; Q156-N160 WeakPolarHBondContact O-CB 3.33Å; Q156-N160 PolarHBondContact O-N 3.31Å; Q156-N160 PolarHBondContact O-ND2 3.14Å; Q156-N160 PolarHBondContact O-OD1 3.33Å; M157-N160 PolarHBondContact O-N 2.85Å; N160-L164 WeakPolarHBondContact O-CB 3.48Å; N160-L164 PolarHBondContact O-N 3.42Å; N160-L164 VanDerWaalsContact O-N 3.08Å
161L93.4Very high92.4Very high1 Ų157.4 Ų57.41%0.00527%0.273CS..Hα-helixtrans-67.5-41.8176175.965.2000111.6M157 L158 K159 Q165 L204 K207 R208 V211 L281M157-L161 WeakPolarHBondContact O-CB 3.28Å; M157-L161 PolarHBondContact O-N 3.02Å; L158-L161 HydrophobicContact CD2-CD2 4.45Å; L158-L161 PolarHBondContact O-N 3.36Å; K159-L161 VanDerWaalsContact C-N 3.27Å; K159-L161 PolarHBondContact O-N 2.69Å; L161-Q165 VanDerWaalsContact O-CB 3.3Å; L161-Q165 WeakPolarHBondContact O-CB 3.15Å; L161-Q165 PolarHBondContact O-N 3.1Å; L161-L204 HydrophobicContact CD1-CD2 3.89Å; L161-K207 HydrophobicContact CD1-CB 3.78Å; L161-R208 HydrophobicContact CD1-CG 3.91Å; L161-R208 HydrophobicContact CD2-CG 4.04Å; L161-V211 HydrophobicContact CD2-CG2 4.1Å; L161-L281 HydrophobicContact CD2-CD1 3.87Å; L161-L281 HydrophobicContact CG-CD1 4.07Å
162E94.1Very high91.9Very high43 Ų4359.6 Ų59.620%0.20128%0.284CS..Hα-helixtrans-62-50.8174.9177.7171.4-153.800111.4L158 K159 L164 Q165 D166 K277 L281L158-E162 WeakPolarHBondContact O-CB 3.15Å; L158-E162 PolarHBondContact O-N 2.93Å; K159-E162 PolarHBondContact O-N 2.85Å; E162-L164 VanDerWaalsContact C-N 3.31Å; E162-L164 PolarHBondContact O-N 3.23Å; E162-Q165 PolarHBondContact O-N 3Å; E162-D166 PolarHBondContact O-N 2.93Å; E162-K277 WeakPolarHBondContact OE1-CE 3.33Å; E162-K277 IonicContact OE1-NZ 3.22Å; E162-K277 PolarHBondContact OE1-NZ 2.88Å; E162-K277 WeakPolarHBondContact OE2-CE 3.28Å; E162-K277 IonicContact OE2-NZ 2.64Å; E162-K277 PolarHBondContact OE2-NZ 3.37Å; E162-L281 HydrophobicContact CB-CD2 4Å; E162-L281 HydrophobicContact CG-CD2 4.1Å
163D94.1Very high91.5Very high84 Ų8458.2 Ų58.245%0.44928%0.281SS..Hα-helixtrans-58-44.2179.7-67.4-26.9000111.2K159 Q165 D166 E167K159-D163 VanDerWaalsContact O-CG 3.3Å; K159-D163 PolarHBondContact O-N 3.06Å; D163-Q165 VanDerWaalsContact C-N 3.31Å; D163-Q165 PolarHBondContact O-N 3.04Å; D163-D166 PolarHBondContact O-N 3.45Å; D163-E167 WeakPolarHBondContact O-CB 3.45Å; D163-E167 PolarHBondContact O-N 3.35Å
164L92.9Very high90.9Very high24 Ų2454.8 Ų54.813%0.12627%0.27CS..Hα-helixtrans-65.2-35.8177.2-176.764.7000112N160 E162 Y168 M200 E203 L204 K207N160-L164 WeakPolarHBondContact O-CB 3.48Å; N160-L164 PolarHBondContact O-N 3.42Å; N160-L164 VanDerWaalsContact O-N 3.08Å; E162-L164 VanDerWaalsContact C-N 3.31Å; E162-L164 PolarHBondContact O-N 3.23Å; L164-Y168 WeakPolarHBondContact O-CB 3.44Å; L164-Y168 PolarHBondContact O-N 3.46Å; L164-M200 HydrophobicContact CD1-CE 4.02Å; L164-E203 HydrophobicContact CD2-CB 4.3Å; L164-E203 HydrophobicContact CD2-CG 3.87Å; L164-L204 HydrophobicContact CB-CD2 3.97Å; L164-L204 HydrophobicContact CD2-CD2 3.73Å; L164-L204 HydrophobicContact CD2-CG 3.88Å; L164-L204 HydrophobicContact CG-CD2 3.65Å; L164-L204 HydrophobicContact CG-CG 3.88Å; L164-K207 HydrophobicContact CD2-CG 4.38Å
165Q93Very high90.1Very high0 Ų056.9 Ų56.90%028%0.281CS..Hα-helixtrans-72.6-43.2179.8-175.9173-38.500111.3L161 E162 D163 E167 Y168 D169 L204 L281 K284 F285L161-Q165 VanDerWaalsContact O-CB 3.3Å; L161-Q165 WeakPolarHBondContact O-CB 3.15Å; L161-Q165 PolarHBondContact O-N 3.1Å; E162-Q165 PolarHBondContact O-N 3Å; D163-Q165 VanDerWaalsContact C-N 3.31Å; D163-Q165 PolarHBondContact O-N 3.04Å; Q165-E167 VanDerWaalsContact C-N 3.34Å; Q165-E167 PolarHBondContact O-N 3.27Å; Q165-Y168 WeakPolarHBondContact O-CB 3.5Å; Q165-Y168 PolarHBondContact O-N 2.94Å; Q165-D169 WeakPolarHBondContact O-CB 3.37Å; Q165-D169 PolarHBondContact O-N 3.37Å; Q165-L204 HydrophobicContact CB-CD2 3.84Å; Q165-L281 PolarHBondContact NE2-O 3.34Å; Q165-K284 VanDerWaalsContact NE2-CB 3.33Å; Q165-F285 HydrophobicContact CG-CB 4.49Å
166D92.9Very high89.1Confident68 Ų6861.2 Ų61.236%0.36430%0.296SS..Hα-helixtrans-65.1-38.3176.5-71.6-18.2000110.8E162 D163 D169 F170 K284E162-D166 PolarHBondContact O-N 2.93Å; D163-D166 PolarHBondContact O-N 3.45Å; D166-D169 PolarHBondContact O-N 2.91Å; D166-F170 WeakPolarHBondContact O-CB 3.38Å; D166-F170 PolarHBondContact O-N 3.17Å; D166-K284 IonicContact OD1-NZ 3.18Å; D166-K284 PolarHBondContact OD1-NZ 3.34Å
167E91.3Very high88.1Confident94 Ų9461.2 Ų61.244%0.43930%0.299SS..Hα-helixtrans-64.4-41.1173.4-165.5-169.1164.800111.8D163 Q165 K171 M200D163-E167 WeakPolarHBondContact O-CB 3.45Å; D163-E167 PolarHBondContact O-N 3.35Å; Q165-E167 VanDerWaalsContact C-N 3.34Å; Q165-E167 PolarHBondContact O-N 3.27Å; E167-K171 WeakPolarHBondContact O-CG 3.34Å; E167-K171 PolarHBondContact O-N 2.9Å; E167-K171 VanDerWaalsContact OE1-CE 3.26Å; E167-K171 WeakPolarHBondContact OE1-CE 3.31Å; E167-K171 IonicContact OE1-NZ 3.33Å; E167-K171 PolarHBondContact OE1-NZ 3.39Å; E167-M200 HydrophobicContact CB-CE 3.87Å; E167-M200 HydrophobicContact CG-CE 3.79Å
168Y89.9Confident86.3Confident18 Ų1864.5 Ų64.57%0.07132%0.323CS..Hα-helixtrans-64-46.2175.4171.5-96.2000111.9L164 Q165 F170 K171 M172 T197 M200 C201 L204 F285L164-Y168 WeakPolarHBondContact O-CB 3.44Å; L164-Y168 PolarHBondContact O-N 3.46Å; Q165-Y168 WeakPolarHBondContact O-CB 3.5Å; Q165-Y168 PolarHBondContact O-N 2.94Å; Y168-F170 VanDerWaalsContact C-N 3.34Å; Y168-F170 PolarHBondContact O-N 2.87Å; Y168-K171 PolarHBondContact O-N 2.96Å; Y168-M172 HydrophobicContact CD1-CG 4.41Å; Y168-M172 HydrophobicContact CD2-CG 4.43Å; Y168-M172 HydrophobicContact CE1-CG 3.92Å; Y168-M172 HydrophobicContact CE2-CE 3.89Å; Y168-M172 HydrophobicContact CE2-CG 3.94Å; Y168-M172 WeakPolarHBondContact O-CB 3.37Å; Y168-M172 PolarHBondContact O-N 2.87Å; Y168-M172 VanDerWaalsContact OH-CE 3.25Å; Y168-M172 WeakPolarHBondContact OH-CE 3.42Å; Y168-T197 HydrophobicContact CD2-CG2 3.96Å; Y168-T197 HydrophobicContact CE2-CG2 3.64Å; Y168-T197 WeakPolarHBondContact CE2-O 3.27Å; Y168-M200 HydrophobicContact CD2-CB 3.92Å; Y168-C201 HydrophobicContact CE2-CB 3.71Å; Y168-L204 HydrophobicContact CD1-CD1 3.81Å; Y168-L204 HydrophobicContact CD2-CD1 4.07Å; Y168-L204 HydrophobicContact CG-CD1 3.53Å; Y168-F285 HydrophobicContact CE1-CD2 4.06Å; Y168-F285 AromaticContact CE1-CE2 3.73Å; Y168-F285 HydrophobicContact CE1-CE2 3.73Å; Y168-F285 HydrophobicContact CE1-CZ 4.13Å
169D89.2Confident84.4Confident37 Ų3771.1 Ų71.120%0.19835%0.354CS..Hα-helixtrans-63.3-40.9178.5-77.4-14.4000110.8Q165 D166 M172 N173Q165-D169 WeakPolarHBondContact O-CB 3.37Å; Q165-D169 PolarHBondContact O-N 3.37Å; D166-D169 PolarHBondContact O-N 2.91Å; D169-M172 PolarHBondContact O-N 2.9Å; D169-N173 WeakPolarHBondContact O-CB 3.45Å; D169-N173 PolarHBondContact O-N 2.92Å; D169-N173 PolarHBondContact O-ND2 3.08Å
170F88.8Confident82.3Confident146 Ų14668 Ų6864%0.6434%0.342SS*.Hα-helixtrans-59.8-48.4174-179.2-97.2000112.2D166 Y168 N173 T174D166-F170 WeakPolarHBondContact O-CB 3.38Å; D166-F170 PolarHBondContact O-N 3.17Å; Y168-F170 VanDerWaalsContact C-N 3.34Å; Y168-F170 PolarHBondContact O-N 2.87Å; F170-N173 PolarHBondContact O-N 2.89Å; F170-T174 WeakPolarHBondContact O-CB 3.39Å; F170-T174 PolarHBondContact O-N 2.97Å; F170-T174 PolarHBondContact O-OG1 3.33Å
171K85.6Confident80.2Confident55 Ų5572.9 Ų72.924%0.23936%0.363CS..Hα-helixtrans-65.7-41.5178.1-74.2178.9-173.2167.20112.3E167 Y168 N173 T174 L175 M200E167-K171 WeakPolarHBondContact O-CG 3.34Å; E167-K171 PolarHBondContact O-N 2.9Å; E167-K171 VanDerWaalsContact OE1-CE 3.26Å; E167-K171 WeakPolarHBondContact OE1-CE 3.31Å; E167-K171 IonicContact OE1-NZ 3.33Å; E167-K171 PolarHBondContact OE1-NZ 3.39Å; Y168-K171 PolarHBondContact O-N 2.96Å; K171-N173 PolarHBondContact O-N 2.93Å; K171-T174 PolarHBondContact O-N 2.66Å; K171-L175 WeakPolarHBondContact O-CB 3.42Å; K171-L175 WeakPolarHBondContact O-CG 3.44Å; K171-L175 PolarHBondContact O-N 3.25Å; K171-M200 HydrophobicContact CD-CE 4.25Å; K171-M200 HydrophobicContact CD-SD 3.64Å; K171-M200 PolarHBondContact NZ-SD 3.28Å
172M83Confident78.1Confident47 Ų4780.1 Ų80.123%0.23240%0.401CS..Hα-helixtrans-63.1-41.2176.1-88.5-64.7-174.600112.5Y168 D169 L175 K176 T197Y168-M172 HydrophobicContact CD1-CG 4.41Å; Y168-M172 HydrophobicContact CD2-CG 4.43Å; Y168-M172 HydrophobicContact CE1-CG 3.92Å; Y168-M172 HydrophobicContact CE2-CE 3.89Å; Y168-M172 HydrophobicContact CE2-CG 3.94Å; Y168-M172 WeakPolarHBondContact O-CB 3.37Å; Y168-M172 PolarHBondContact O-N 2.87Å; Y168-M172 VanDerWaalsContact OH-CE 3.25Å; Y168-M172 WeakPolarHBondContact OH-CE 3.42Å; D169-M172 PolarHBondContact O-N 2.9Å; M172-L175 PolarHBondContact O-N 2.9Å; M172-K176 WeakPolarHBondContact O-CB 3.01Å; M172-K176 VanDerWaalsContact O-CG 3.3Å; M172-K176 WeakPolarHBondContact O-CG 3.15Å; M172-K176 PolarHBondContact O-N 3.41Å; M172-T197 HydrophobicContact CE-CG2 3.25Å; M172-T197 HydrophobicContact CG-CG2 3.66Å; M172-T197 HydrophobicContact SD-CG2 3.69Å
173N84.4Confident76.1Confident95 Ų9583.8 Ų83.851%0.50842%0.422SS..Hα-helixtrans-68.3-38.5176.4-71-24.9000111.6D169 F170 K171 L175 K176 N177D169-N173 WeakPolarHBondContact O-CB 3.45Å; D169-N173 PolarHBondContact O-N 2.92Å; D169-N173 PolarHBondContact O-ND2 3.08Å; F170-N173 PolarHBondContact O-N 2.89Å; K171-N173 PolarHBondContact O-N 2.93Å; N173-L175 VanDerWaalsContact C-N 3.32Å; N173-L175 PolarHBondContact O-N 3.29Å; N173-K176 PolarHBondContact O-N 2.77Å; N173-N177 PolarHBondContact O-N 3.18Å; N173-N177 VanDerWaalsContact O-N 3.1Å
174T81.8Confident74.3Confident46 Ų4683.2 Ų83.228%0.28244%0.435SS..Hα-helixtrans-61.6-40.3174.1-55.80000111.7F170 K171 N180F170-T174 WeakPolarHBondContact O-CB 3.39Å; F170-T174 PolarHBondContact O-N 2.97Å; F170-T174 PolarHBondContact O-OG1 3.33Å; K171-T174 PolarHBondContact O-N 2.66Å; T174-N180 WeakPolarHBondContact CG2-ND2 3.46Å; T174-N180 PolarHBondContact O-ND2 3.41Å
175L76.3Confident72.8Confident45 Ų4585.7 Ų85.724%0.23645%0.447CS..Hα-helixtrans-71.4-27176.6-76.8168.8000113.9K171 M172 N173 L190 E193 T197K171-L175 WeakPolarHBondContact O-CB 3.42Å; K171-L175 WeakPolarHBondContact O-CG 3.44Å; K171-L175 PolarHBondContact O-N 3.25Å; M172-L175 PolarHBondContact O-N 2.9Å; N173-L175 VanDerWaalsContact C-N 3.32Å; N173-L175 PolarHBondContact O-N 3.29Å; L175-L190 HydrophobicContact CD2-CD1 3.94Å; L175-E193 HydrophobicContact CD2-CB 3.99Å; L175-E193 WeakPolarHBondContact CD2-OE2 3.44Å; L175-T197 HydrophobicContact CD1-CG2 4.27Å; L175-T197 VanDerWaalsContact CD1-OG1 3.31Å; L175-T197 WeakPolarHBondContact CD1-OG1 3.49Å
176K73.1Confident71.6Confident153 Ų15388.3 Ų88.367%0.66547%0.465SS*.Hα-helixtrans-86.4-16.1178.6-74.2174.5-176.4175.30113.4M172 N173 P178M172-K176 WeakPolarHBondContact O-CB 3.01Å; M172-K176 VanDerWaalsContact O-CG 3.3Å; M172-K176 WeakPolarHBondContact O-CG 3.15Å; M172-K176 PolarHBondContact O-N 3.41Å; N173-K176 PolarHBondContact O-N 2.77Å; K176-P178 WeakPolarHBondContact O-CD 3.48Å
177N72Confident70.5Confident97 Ų9789.2 Ų89.252%0.51948%0.482SS..  trans-71.8117.7-178.2-102.2-8.3000111N173 E179 N180N173-N177 PolarHBondContact O-N 3.18Å; N173-N177 VanDerWaalsContact O-N 3.1Å; N177-E179 PolarHBondContact O-N 2.88Å; N177-E179 VanDerWaalsContact O-N 3.17Å; N177-N180 PolarHBondContact O-N 2.88Å; N177-N180 VanDerWaalsContact O-N 3.16Å
178P55.3Low69.7Low96 Ų9693 Ų9362%0.62350%0.497SS*.G310 helixtrans-67.1-16-175.624.3-32.3000114.2K176 N180 E181K176-P178 WeakPolarHBondContact O-CD 3.48Å; P178-N180 PolarHBondContact O-N 3.49Å; P178-E181 PolarHBondContact O-N 3.49Å
179E52.4Low69Low146 Ų14697.1 Ų97.168%0.68252%0.517SS*.G310 helixtrans-67.9-17.2173.8-71.7-174.9158.500113.5N177 L182N177-E179 PolarHBondContact O-N 2.88Å; N177-E179 VanDerWaalsContact O-N 3.17Å; E179-L182 WeakPolarHBondContact O-CB 3.1Å; E179-L182 PolarHBondContact O-N 3.41Å
180N51.6Low68.3Low52 Ų5298.6 Ų98.628%0.27853%0.525SS..G310 helixtrans-80-13.1176.2-81-23.1000114.1T174 N177 P178 L182 N183T174-N180 WeakPolarHBondContact CG2-ND2 3.46Å; T174-N180 PolarHBondContact O-ND2 3.41Å; N177-N180 PolarHBondContact O-N 2.88Å; N177-N180 VanDerWaalsContact O-N 3.16Å; P178-N180 PolarHBondContact O-N 3.49Å; N180-L182 PolarHBondContact O-N 3.39Å; N180-N183 PolarHBondContact O-N 2.98Å; N180-N183 PolarHBondContact OD1-ND2 3.02Å
181E49.9Very low67.8Low184 Ų18498.5 Ų98.586%0.8653%0.526SS*.G310 helixtrans-69.2-22.6165.4-69-170158.700111.7P178P178-E181 PolarHBondContact O-N 3.49Å
182L47.7Very low67.5Low153 Ų153102.7 Ų102.780%0.80154%0.544SS*.THydrogen-bonded Turntrans-87.9-14.8176.5-79144000113.5E179 N180 G184E179-L182 WeakPolarHBondContact O-CB 3.1Å; E179-L182 PolarHBondContact O-N 3.41Å; N180-L182 PolarHBondContact O-N 3.39Å; L182-G184 PolarHBondContact O-N 3.41Å
183N52.9Low67.4Low120 Ų120103.4 Ų103.464%0.64255%0.547SS*.THydrogen-bonded Turntrans-90.713.7-175.1-91.3-20000115.8N180 M185N180-N183 PolarHBondContact O-N 2.98Å; N180-N183 PolarHBondContact OD1-ND2 3.02Å; N183-M185 PolarHBondContact O-N 3.48Å
184G56.4Low67.2Low71 Ų71104.7 Ų104.773%0.73255%0.548SS*.THydrogen-bonded Turntrans7024165.700000116.5L182L182-G184 PolarHBondContact O-N 3.41Å
185M62.1Low67.3Low77 Ų77109.2 Ų109.238%0.37956%0.564SS.*  trans-64.5134.1168.5-74.4179.875.700110.6N183 E189 E193N183-M185 PolarHBondContact O-N 3.48Å; M185-E189 HydrophobicContact CE-CB 4.23Å; M185-E193 HydrophobicContact CE-CG 4.09Å
186S67.1Low67.7Low55 Ų55109.5 Ų109.539%0.38557%0.566SS.*  trans-71.8152.5175.870.20000111.5K188 E189 L190S186-K188 PolarHBondContact O-N 3.34Å; S186-K188 VanDerWaalsContact O-N 3.09Å; S186-E189 WeakPolarHBondContact CB-OE2 2.87Å; S186-E189 PolarHBondContact N-OE2 2.99Å; S186-E189 PolarHBondContact O-N 3.34Å; S186-E189 VanDerWaalsContact OG-CG 3.3Å; S186-E189 WeakPolarHBondContact OG-CG 3.32Å; S186-E189 PolarHBondContact OG-N 3.48Å; S186-E189 PolarHBondContact OG-OE2 3.05Å; S186-L190 PolarHBondContact O-N 2.92Å; S186-L190 VanDerWaalsContact O-N 3.11Å
187A70.4Confident68.2Low87 Ų87102.4 Ų102.472%0.71954%0.535SS*.Hα-helixtrans-55.1-31.6178.400000113.3E191A187-E191 WeakPolarHBondContact O-CB 3.49Å; A187-E191 PolarHBondContact O-N 3.25Å; A187-E191 VanDerWaalsContact O-N 3.13Å
188K74.1Confident68.8Low174 Ų174101.7 Ų101.776%0.75754%0.535SS*.Hα-helixtrans-71-35.3175.8-74.7-176.2175.8179.80113.2S186 K192S186-K188 PolarHBondContact O-N 3.34Å; S186-K188 VanDerWaalsContact O-N 3.09Å; K188-K192 WeakPolarHBondContact O-CB 3.19Å; K188-K192 PolarHBondContact O-N 3.16Å; K188-K192 VanDerWaalsContact O-N 3.09Å
189E74.7Confident70.5Confident103 Ų103103.9 Ų103.948%0.48153%0.531SS..Hα-helixtrans-72.1-39.1177.4-73.416015600111M185 S186 K192 E193M185-E189 HydrophobicContact CE-CB 4.23Å; S186-E189 WeakPolarHBondContact CB-OE2 2.87Å; S186-E189 PolarHBondContact N-OE2 2.99Å; S186-E189 PolarHBondContact O-N 3.34Å; S186-E189 VanDerWaalsContact OG-CG 3.3Å; S186-E189 WeakPolarHBondContact OG-CG 3.32Å; S186-E189 PolarHBondContact OG-N 3.48Å; S186-E189 PolarHBondContact OG-OE2 3.05Å; E189-K192 PolarHBondContact O-N 2.96Å; E189-E193 PolarHBondContact O-N 3.41Å
190L74.5Confident72.2Confident68 Ų6897.2 Ų97.236%0.35650%0.5SS..Hα-helixtrans-63.7-41.1174.5-170.569.8000112.1L175 S186 E193 K194L175-L190 HydrophobicContact CD2-CD1 3.94Å; S186-L190 PolarHBondContact O-N 2.92Å; S186-L190 VanDerWaalsContact O-N 3.11Å; L190-E193 PolarHBondContact O-N 2.82Å; L190-K194 WeakPolarHBondContact O-CG 3.19Å; L190-K194 PolarHBondContact O-N 3Å
191E78Confident73.9Confident144 Ų14495.8 Ų95.867%0.67349%0.493SS*.Hα-helixtrans-66-39.9176.4-165.5175.1-161.800111.8A187 K194 F195A187-E191 WeakPolarHBondContact O-CB 3.49Å; A187-E191 PolarHBondContact O-N 3.25Å; A187-E191 VanDerWaalsContact O-N 3.13Å; E191-K194 PolarHBondContact O-N 2.92Å; E191-F195 WeakPolarHBondContact O-CB 3.39Å; E191-F195 PolarHBondContact O-N 3.44Å
192K80.6Confident75.8Confident143 Ų14392.2 Ų92.262%0.62248%0.479SS*.Hα-helixtrans-64.6-40.5174.7-171.2177.5-179.6-176.20112.3K188 E189 F195 N196K188-K192 WeakPolarHBondContact O-CB 3.19Å; K188-K192 PolarHBondContact O-N 3.16Å; K188-K192 VanDerWaalsContact O-N 3.09Å; E189-K192 PolarHBondContact O-N 2.96Å; K192-F195 PolarHBondContact O-N 2.9Å; K192-N196 WeakPolarHBondContact O-CB 3.29Å; K192-N196 VanDerWaalsContact O-CG 3.28Å; K192-N196 PolarHBondContact O-N 2.96Å; K192-N196 PolarHBondContact O-ND2 3.42Å
193E79.4Confident77.9Confident62 Ų6288.8 Ų88.829%0.2946%0.459SS..Hα-helixtrans-66.7-41.9174.5-78.7-129.9136.100112.8L175 M185 E189 L190 F195 N196 T197L175-E193 HydrophobicContact CD2-CB 3.99Å; L175-E193 WeakPolarHBondContact CD2-OE2 3.44Å; M185-E193 HydrophobicContact CE-CG 4.09Å; E189-E193 PolarHBondContact O-N 3.41Å; L190-E193 PolarHBondContact O-N 2.82Å; E193-F195 VanDerWaalsContact C-N 3.32Å; E193-F195 PolarHBondContact O-N 2.88Å; E193-N196 PolarHBondContact O-N 2.83Å; E193-T197 WeakPolarHBondContact O-CB 3.48Å; E193-T197 PolarHBondContact O-N 3.27Å; E193-T197 PolarHBondContact O-OG1 3.21Å
194K80.8Confident79.8Confident123 Ų12383.1 Ų83.154%0.53543%0.428SS..Hα-helixtrans-60.3-42174.1-76178.2179.81790111.8L190 E191 T197 T198L190-K194 WeakPolarHBondContact O-CG 3.19Å; L190-K194 PolarHBondContact O-N 3Å; E191-K194 PolarHBondContact O-N 2.92Å; K194-T197 PolarHBondContact O-N 3.47Å; K194-T198 PolarHBondContact O-N 2.92Å; K194-T198 PolarHBondContact O-OG1 3.01Å
195F84.4Confident81.4Confident141 Ų14183.7 Ų83.762%0.61841%0.411SS*.Hα-helixtrans-63.3-47.2175.4-176.6-96.4000111.9E191 K192 E193 T197 T198 R199E191-F195 WeakPolarHBondContact O-CB 3.39Å; E191-F195 PolarHBondContact O-N 3.44Å; K192-F195 PolarHBondContact O-N 2.9Å; E193-F195 VanDerWaalsContact C-N 3.32Å; E193-F195 PolarHBondContact O-N 2.88Å; F195-T197 VanDerWaalsContact C-N 3.31Å; F195-T197 PolarHBondContact O-N 3.46Å; F195-T198 PolarHBondContact O-N 2.69Å; F195-R199 PolarHBondContact O-N 3.31Å
196N84.8Confident82.9Confident51 Ų5185.4 Ų85.427%0.27342%0.418SS..Hα-helixtrans-59.2-41.9176.7-76.6-19.8000112.2K192 E193 R199 M200K192-N196 WeakPolarHBondContact O-CB 3.29Å; K192-N196 VanDerWaalsContact O-CG 3.28Å; K192-N196 PolarHBondContact O-N 2.96Å; K192-N196 PolarHBondContact O-ND2 3.42Å; E193-N196 PolarHBondContact O-N 2.83Å; N196-R199 WeakPolarHBondContact O-CB 3.43Å; N196-R199 PolarHBondContact O-N 2.97Å; N196-M200 WeakPolarHBondContact O-CG 3.41Å; N196-M200 PolarHBondContact O-N 3.23Å
197T83.3Confident84.1Confident3 Ų386.1 Ų86.12%0.01841%0.414CS..Hα-helixtrans-69-38.2-179.8-520000111.5Y168 M172 L175 E193 K194 F195 R199 M200 C201Y168-T197 HydrophobicContact CD2-CG2 3.96Å; Y168-T197 HydrophobicContact CE2-CG2 3.64Å; Y168-T197 WeakPolarHBondContact CE2-O 3.27Å; M172-T197 HydrophobicContact CE-CG2 3.25Å; M172-T197 HydrophobicContact CG-CG2 3.66Å; M172-T197 HydrophobicContact SD-CG2 3.69Å; L175-T197 HydrophobicContact CD1-CG2 4.27Å; L175-T197 VanDerWaalsContact CD1-OG1 3.31Å; L175-T197 WeakPolarHBondContact CD1-OG1 3.49Å; E193-T197 WeakPolarHBondContact O-CB 3.48Å; E193-T197 PolarHBondContact O-N 3.27Å; E193-T197 PolarHBondContact O-OG1 3.21Å; K194-T197 PolarHBondContact O-N 3.47Å; F195-T197 VanDerWaalsContact C-N 3.31Å; F195-T197 PolarHBondContact O-N 3.46Å; T197-R199 VanDerWaalsContact C-N 3.35Å; T197-M200 PolarHBondContact O-N 3.3Å; T197-C201 PolarHBondContact O-N 2.96Å
198T85.1Confident85.2Confident82 Ų8282 Ų8250%0.50338%0.38SS..Hα-helixtrans-63.8-41.3173.4-54.10000111.3K194 F195 C201 I202K194-T198 PolarHBondContact O-N 2.92Å; K194-T198 PolarHBondContact O-OG1 3.01Å; F195-T198 PolarHBondContact O-N 2.69Å; T198-C201 WeakPolarHBondContact O-CB 3.26Å; T198-C201 PolarHBondContact O-N 2.89Å; T198-I202 PolarHBondContact O-N 3.13Å; T198-I202 VanDerWaalsContact O-N 3.12Å
199R90.3Very high86Confident143 Ų14379 Ų7954%0.5437%0.368SS..Hα-helixtrans-60-46.4174.3-172.2-174.471.2177.52.5111.7F195 N196 T197 C201 I202 E203F195-R199 PolarHBondContact O-N 3.31Å; N196-R199 WeakPolarHBondContact O-CB 3.43Å; N196-R199 PolarHBondContact O-N 2.97Å; T197-R199 VanDerWaalsContact C-N 3.35Å; R199-C201 VanDerWaalsContact C-N 3.31Å; R199-C201 PolarHBondContact O-N 3.33Å; R199-I202 PolarHBondContact O-N 2.93Å; R199-E203 PolarHBondContact O-N 3.22Å
200M88.2Confident86.9Confident6 Ų676.9 Ų76.93%0.0336%0.358CS..Hα-helixtrans-61.1-37.8176.3-71.9176.574.700112.2L164 E167 Y168 K171 N196 T197 I202 E203 L204L164-M200 HydrophobicContact CD1-CE 4.02Å; E167-M200 HydrophobicContact CB-CE 3.87Å; E167-M200 HydrophobicContact CG-CE 3.79Å; Y168-M200 HydrophobicContact CD2-CB 3.92Å; K171-M200 HydrophobicContact CD-CE 4.25Å; K171-M200 HydrophobicContact CD-SD 3.64Å; K171-M200 PolarHBondContact NZ-SD 3.28Å; N196-M200 WeakPolarHBondContact O-CG 3.41Å; N196-M200 PolarHBondContact O-N 3.23Å; T197-M200 PolarHBondContact O-N 3.3Å; M200-I202 PolarHBondContact O-N 2.96Å; M200-E203 PolarHBondContact O-N 3.41Å; M200-L204 WeakPolarHBondContact O-CB 3.31Å; M200-L204 WeakPolarHBondContact O-CG 3.14Å; M200-L204 PolarHBondContact O-N 3.28Å
201C88.1Confident87.8Confident21 Ų2173.7 Ų73.714%0.14234%0.342CS..Hα-helixtrans-61.7-43.5174.8-174.30000111.9Y168 T197 T198 R199 L204 K205Y168-C201 HydrophobicContact CE2-CB 3.71Å; T197-C201 PolarHBondContact O-N 2.96Å; T198-C201 WeakPolarHBondContact O-CB 3.26Å; T198-C201 PolarHBondContact O-N 2.89Å; R199-C201 VanDerWaalsContact C-N 3.31Å; R199-C201 PolarHBondContact O-N 3.33Å; C201-L204 PolarHBondContact O-N 3.46Å; C201-K205 VanDerWaalsContact O-CG 3.26Å; C201-K205 WeakPolarHBondContact O-CG 3.27Å; C201-K205 PolarHBondContact O-N 2.92Å
202I89.8Confident88.6Confident109 Ų10967 Ų6756%0.55931%0.311SS*.Hα-helixtrans-64.2-44.2176.7-65168.3000110.6T198 R199 M200 L204 K205 Q206T198-I202 PolarHBondContact O-N 3.13Å; T198-I202 VanDerWaalsContact O-N 3.12Å; R199-I202 PolarHBondContact O-N 2.93Å; M200-I202 PolarHBondContact O-N 2.96Å; I202-L204 PolarHBondContact O-N 2.83Å; I202-K205 PolarHBondContact O-N 3.29Å; I202-Q206 PolarHBondContact O-N 2.87Å
203E91.8Very high89.2Confident82 Ų8262.5 Ų62.538%0.38330%0.297SS..Hα-helixtrans-61.1-43.4177.6-169.5174.3-179.900111.8L164 R199 M200 K205 Q206 K207L164-E203 HydrophobicContact CD2-CB 4.3Å; L164-E203 HydrophobicContact CD2-CG 3.87Å; R199-E203 PolarHBondContact O-N 3.22Å; M200-E203 PolarHBondContact O-N 3.41Å; E203-K205 PolarHBondContact O-N 2.94Å; E203-Q206 PolarHBondContact O-N 3.08Å; E203-K207 WeakPolarHBondContact O-CB 3.49Å; E203-K207 VanDerWaalsContact O-CG 3.27Å; E203-K207 WeakPolarHBondContact O-CG 3.5Å; E203-K207 PolarHBondContact O-N 3.02Å
204L91.3Very high89.9Confident0 Ų061 Ų610%029%0.289CS..Hα-helixtrans-58.2-47.8173.2-81.8169.9000112.2L161 L164 Q165 Y168 M200 C201 I202 Q206 K207 R208L161-L204 HydrophobicContact CD1-CD2 3.89Å; L164-L204 HydrophobicContact CB-CD2 3.97Å; L164-L204 HydrophobicContact CD2-CD2 3.73Å; L164-L204 HydrophobicContact CD2-CG 3.88Å; L164-L204 HydrophobicContact CG-CD2 3.65Å; L164-L204 HydrophobicContact CG-CG 3.88Å; Q165-L204 HydrophobicContact CB-CD2 3.84Å; Y168-L204 HydrophobicContact CD1-CD1 3.81Å; Y168-L204 HydrophobicContact CD2-CD1 4.07Å; Y168-L204 HydrophobicContact CG-CD1 3.53Å; M200-L204 WeakPolarHBondContact O-CB 3.31Å; M200-L204 WeakPolarHBondContact O-CG 3.14Å; M200-L204 PolarHBondContact O-N 3.28Å; C201-L204 PolarHBondContact O-N 3.46Å; I202-L204 PolarHBondContact O-N 2.83Å; L204-Q206 VanDerWaalsContact C-N 3.3Å; L204-Q206 PolarHBondContact O-N 3.45Å; L204-K207 PolarHBondContact O-N 3.35Å; L204-R208 WeakPolarHBondContact O-CG 3.43Å; L204-R208 PolarHBondContact O-N 2.98Å
205K91.3Very high90.5Very high83 Ų8355.1 Ų55.136%0.36126%0.264SS..Hα-helixtrans-60.2-42.2178.3-69.9-176.6176.7-175.90111.6C201 I202 E203 H209 Y287C201-K205 VanDerWaalsContact O-CG 3.26Å; C201-K205 WeakPolarHBondContact O-CG 3.27Å; C201-K205 PolarHBondContact O-N 2.92Å; I202-K205 PolarHBondContact O-N 3.29Å; E203-K205 PolarHBondContact O-N 2.94Å; K205-H209 PolarHBondContact O-N 3.41Å; K205-Y287 HydrophobicContact CD-CD2 4.36Å; K205-Y287 HydrophobicContact CD-CE1 4.38Å; K205-Y287 HydrophobicContact CD-CE2 4.03Å; K205-Y287 HydrophobicContact CG-CD1 4.39Å; K205-Y287 HydrophobicContact CG-CE1 3.73Å; K205-Y287 HydrophobicContact CG-CE2 4.05Å
206Q92.2Very high90.9Very high114 Ų11450.2 Ų50.253%0.53325%0.248SC..Hα-helixtrans-64-47.6176-176.3179.7-20.700111.2I202 E203 L204 R208 H209 E210I202-Q206 PolarHBondContact O-N 2.87Å; E203-Q206 PolarHBondContact O-N 3.08Å; L204-Q206 VanDerWaalsContact C-N 3.3Å; L204-Q206 PolarHBondContact O-N 3.45Å; Q206-R208 VanDerWaalsContact C-N 3.34Å; Q206-R208 PolarHBondContact O-N 3.38Å; Q206-H209 WeakPolarHBondContact O-CB 3.35Å; Q206-H209 PolarHBondContact O-N 3.31Å; Q206-E210 WeakPolarHBondContact CG-OE1 3.4Å; Q206-E210 PolarHBondContact NE2-OE1 3.14Å; Q206-E210 WeakPolarHBondContact O-CG 3.48Å; Q206-E210 PolarHBondContact O-N 3.37Å
207K92.3Very high91.3Very high70 Ų7052.6 Ų52.630%0.30426%0.257SS..Hα-helixtrans-61.3-39.3178.5-71.9-75.1164.8-153.20112.5L161 L164 E203 L204 H209 E210 V211L161-K207 HydrophobicContact CD1-CB 3.78Å; L164-K207 HydrophobicContact CD2-CG 4.38Å; E203-K207 WeakPolarHBondContact O-CB 3.49Å; E203-K207 VanDerWaalsContact O-CG 3.27Å; E203-K207 WeakPolarHBondContact O-CG 3.5Å; E203-K207 PolarHBondContact O-N 3.02Å; L204-K207 PolarHBondContact O-N 3.35Å; K207-H209 VanDerWaalsContact C-N 3.31Å; K207-H209 PolarHBondContact O-N 2.67Å; K207-E210 WeakPolarHBondContact CD-OE2 3.48Å; K207-E210 IonicContact NZ-OE2 3.44Å; K207-E210 PolarHBondContact NZ-OE2 2.89Å; K207-E210 PolarHBondContact O-N 3.4Å; K207-V211 WeakPolarHBondContact O-CG2 3.33Å; K207-V211 PolarHBondContact O-N 3.23Å
208R93.4Very high91.8Very high1 Ų152.4 Ų52.40%0.00426%0.256CS..Hα-helixtrans-60-40.8172.4-73.9-169.5174.9-158.41112.1L161 L204 Q206 V212 L281 F285 D290 P291 I292L161-R208 HydrophobicContact CD1-CG 3.91Å; L161-R208 HydrophobicContact CD2-CG 4.04Å; L204-R208 WeakPolarHBondContact O-CG 3.43Å; L204-R208 PolarHBondContact O-N 2.98Å; Q206-R208 VanDerWaalsContact C-N 3.34Å; Q206-R208 PolarHBondContact O-N 3.38Å; R208-V212 VanDerWaalsContact O-CG2 3.24Å; R208-V212 WeakPolarHBondContact O-CG2 3.46Å; R208-V212 PolarHBondContact O-N 3.44Å; R208-V212 VanDerWaalsContact O-N 3.12Å; R208-L281 PolarHBondContact NH2-O 3.14Å; R208-F285 VanDerWaalsContact CZ-O 3.26Å; R208-F285 PolarHBondContact NH1-O 3.28Å; R208-F285 PolarHBondContact NH2-O 3.38Å; R208-D290 IonicContact CZ-OD2 3.2Å; R208-D290 IonicContact NH1-OD1 3.72Å; R208-D290 IonicContact NH1-OD2 2.65Å; R208-D290 PolarHBondContact NH1-OD2 3.14Å; R208-P291 HydrophobicContact CB-CG 4.02Å; R208-I292 HydrophobicContact CB-CD1 4.38Å; R208-I292 HydrophobicContact CB-CG1 4.43Å; R208-I292 HydrophobicContact CG-CD1 3.9Å; R208-I292 HydrophobicContact CG-CG1 4.46Å
209H92.3Very high92.2Very high109 Ų10948.5 Ų48.551%0.50523%0.232SC..Hα-helixtrans-66.8-43.5176.6-162.287000112.1K205 Q206 K207 V212 S213 P291K205-H209 PolarHBondContact O-N 3.41Å; Q206-H209 WeakPolarHBondContact O-CB 3.35Å; Q206-H209 PolarHBondContact O-N 3.31Å; K207-H209 VanDerWaalsContact C-N 3.31Å; K207-H209 PolarHBondContact O-N 2.67Å; H209-V212 PolarHBondContact O-N 2.96Å; H209-S213 WeakPolarHBondContact O-CB 3.41Å; H209-S213 PolarHBondContact O-N 2.79Å; H209-P291 HydrophobicContact CB-CG 4.49Å
210E93.4Very high92.4Very high60 Ų6045.5 Ų45.528%0.2823%0.227SC..Hα-helixtrans-58-48176.1-70.9172.5-168.900111.3M157 Q206 K207 V212 S213 F214M157-E210 HydrophobicContact CE-CB 3.87Å; Q206-E210 WeakPolarHBondContact CG-OE1 3.4Å; Q206-E210 PolarHBondContact NE2-OE1 3.14Å; Q206-E210 WeakPolarHBondContact O-CG 3.48Å; Q206-E210 PolarHBondContact O-N 3.37Å; K207-E210 WeakPolarHBondContact CD-OE2 3.48Å; K207-E210 IonicContact NZ-OE2 3.44Å; K207-E210 PolarHBondContact NZ-OE2 2.89Å; K207-E210 PolarHBondContact O-N 3.4Å; E210-V212 PolarHBondContact O-N 3.26Å; E210-S213 PolarHBondContact O-N 3.3Å; E210-F214 VanDerWaalsContact O-CB 3.28Å; E210-F214 WeakPolarHBondContact O-CB 3.39Å; E210-F214 PolarHBondContact O-N 2.92Å
211V93.7Very high92.7Very high1 Ų146.7 Ų46.71%0.00623%0.233CC..Hα-helixtrans-59.3-48.7177.4167.60000111.5M154 M157 L158 L161 K207 S213 F214 L215 M278M154-V211 WeakPolarHBondContact CE-O 3.45Å; M154-V211 HydrophobicContact SD-CG1 3.97Å; M157-V211 HydrophobicContact CB-CG2 4.22Å; M157-V211 HydrophobicContact CE-CG2 3.96Å; L158-V211 HydrophobicContact CD2-CG1 3.71Å; L158-V211 HydrophobicContact CG-CG1 4.32Å; L161-V211 HydrophobicContact CD2-CG2 4.1Å; K207-V211 WeakPolarHBondContact O-CG2 3.33Å; K207-V211 PolarHBondContact O-N 3.23Å; V211-S213 PolarHBondContact O-N 3.44Å; V211-F214 PolarHBondContact O-N 3.13Å; V211-L215 WeakPolarHBondContact O-CB 3.45Å; V211-L215 PolarHBondContact O-N 2.91Å; V211-M278 HydrophobicContact CG1-CE 3.93Å; V211-M278 HydrophobicContact CG1-CG 4.39Å; V211-M278 HydrophobicContact CG1-SD 3.89Å
212V93.6Very high92.9Very high3 Ų345.8 Ų45.82%0.01823%0.227CC..Hα-helixtrans-64.8-39.7-178.9173.60000111.6R208 H209 E210 S216 M278 P291 I292 K295 L299R208-V212 VanDerWaalsContact O-CG2 3.24Å; R208-V212 WeakPolarHBondContact O-CG2 3.46Å; R208-V212 PolarHBondContact O-N 3.44Å; R208-V212 VanDerWaalsContact O-N 3.12Å; H209-V212 PolarHBondContact O-N 2.96Å; E210-V212 PolarHBondContact O-N 3.26Å; V212-S216 PolarHBondContact O-N 3.14Å; V212-M278 HydrophobicContact CG2-CE 3.43Å; V212-M278 VanDerWaalsContact CG2-CE 3.43Å; V212-P291 HydrophobicContact CG2-CB 4.2Å; V212-I292 HydrophobicContact CG2-CG1 4.09Å; V212-K295 HydrophobicContact CG1-CB 3.87Å; V212-K295 HydrophobicContact CG1-CD 3.53Å; V212-K295 HydrophobicContact CG1-CG 4.24Å; V212-L299 HydrophobicContact CG1-CD1 4.12Å
213S93.4Very high93.1Very high48 Ų4844.3 Ų44.334%0.33622%0.217SC..Hα-helixtrans-65-48.9176.3-167.40000111.2H209 E210 V211 L215 S216 E217H209-S213 WeakPolarHBondContact O-CB 3.41Å; H209-S213 PolarHBondContact O-N 2.79Å; E210-S213 PolarHBondContact O-N 3.3Å; V211-S213 PolarHBondContact O-N 3.44Å; S213-L215 VanDerWaalsContact C-N 3.28Å; S213-L215 PolarHBondContact O-N 2.74Å; S213-S216 WeakPolarHBondContact O-CB 3.29Å; S213-S216 PolarHBondContact O-N 3.01Å; S213-S216 VanDerWaalsContact O-N 3.1Å; S213-E217 PolarHBondContact O-N 2.98Å; S213-E217 VanDerWaalsContact O-N 3.09Å
214F94.6Very high93.1Very high30 Ų3043.1 Ų43.113%0.13222%0.218CC..Hα-helixtrans-62.2-36.7179.9-172.5-113.1000111.7K150 F153 M154 M157 E210 V211 S216 E217 L218K150-F214 HydrophobicContact CB-CZ 3.91Å; K150-F214 HydrophobicContact CG-CZ 4.03Å; K150-F214 WeakPolarHBondContact O-CE1 3.33Å; F153-F214 HydrophobicContact CB-CE1 4.49Å; F153-F214 HydrophobicContact CB-CZ 4.44Å; F153-F214 HydrophobicContact CD1-CD1 4.25Å; F153-F214 AromaticContact CD1-CE1 3.63Å; F153-F214 HydrophobicContact CD1-CE1 3.63Å; F153-F214 HydrophobicContact CD1-CE2 4.13Å; F153-F214 AromaticContact CD1-CZ 3.56Å; F153-F214 HydrophobicContact CD1-CZ 3.56Å; F153-F214 HydrophobicContact CE1-CE1 4.44Å; F153-F214 HydrophobicContact CE1-CE2 4.49Å; F153-F214 HydrophobicContact CE1-CZ 4.33Å; F153-F214 HydrophobicContact CG-CZ 4.45Å; M154-F214 HydrophobicContact CB-CD1 4.23Å; M154-F214 HydrophobicContact CB-CE1 3.99Å; M154-F214 HydrophobicContact CE-CB 4.02Å; M154-F214 HydrophobicContact CE-CD1 3.28Å; M154-F214 HydrophobicContact CE-CE1 4.1Å; M154-F214 HydrophobicContact CE-CG 4.07Å; M154-F214 HydrophobicContact SD-CD1 3.97Å; M157-F214 HydrophobicContact SD-CB 4.41Å; M157-F214 HydrophobicContact SD-CD1 3.91Å; M157-F214 HydrophobicContact SD-CG 4.2Å; E210-F214 VanDerWaalsContact O-CB 3.28Å; E210-F214 WeakPolarHBondContact O-CB 3.39Å; E210-F214 PolarHBondContact O-N 2.92Å; V211-F214 PolarHBondContact O-N 3.13Å; F214-S216 VanDerWaalsContact C-N 3.32Å; F214-S216 PolarHBondContact O-N 3.45Å; F214-E217 PolarHBondContact O-N 2.86Å; F214-L218 WeakPolarHBondContact O-CB 3.49Å; F214-L218 PolarHBondContact O-N 3.24Å
215L93.1Very high93.1Very high0 Ų043.1 Ų43.10%022%0.218CC..Hα-helixtrans-64.4-37.7175.9-169.159.8000112.1M154 V211 S213 L218 L219 V271 L275 M278 L299M154-L215 VanDerWaalsContact CE-CA 3.4Å; M154-L215 HydrophobicContact CE-CB 3.53Å; M154-L215 HydrophobicContact CE-CD1 3.85Å; M154-L215 HydrophobicContact CE-CG 4.27Å; V211-L215 WeakPolarHBondContact O-CB 3.45Å; V211-L215 PolarHBondContact O-N 2.91Å; S213-L215 VanDerWaalsContact C-N 3.28Å; S213-L215 PolarHBondContact O-N 2.74Å; L215-L218 HydrophobicContact CD1-CD2 4.24Å; L215-L218 PolarHBondContact O-N 3.5Å; L215-L219 WeakPolarHBondContact O-CG 3.48Å; L215-L219 PolarHBondContact O-N 2.94Å; L215-V271 HydrophobicContact CD1-CG1 3.93Å; L215-V271 HydrophobicContact CD1-CG2 4.15Å; L215-L275 HydrophobicContact CD2-CD2 3.51Å; L215-L275 HydrophobicContact CD2-CG 4Å; L215-M278 HydrophobicContact CD2-SD 3.97Å; L215-L299 HydrophobicContact CD2-CD1 3.92Å; L215-L299 HydrophobicContact CG-CD1 4.49Å
216S93.2Very high93.2Very high39 Ų3939.1 Ų39.127%0.27320%0.201SC..Hα-helixtrans-65.7-41.5175.6-170.80000111.8V212 S213 F214 L219 N220V212-S216 PolarHBondContact O-N 3.14Å; S213-S216 WeakPolarHBondContact O-CB 3.29Å; S213-S216 PolarHBondContact O-N 3.01Å; S213-S216 VanDerWaalsContact O-N 3.1Å; F214-S216 VanDerWaalsContact C-N 3.32Å; F214-S216 PolarHBondContact O-N 3.45Å; S216-L219 PolarHBondContact O-N 3.44Å; S216-N220 VanDerWaalsContact O-CG 3.23Å; S216-N220 PolarHBondContact O-N 2.9Å; S216-N220 PolarHBondContact O-ND2 3.38Å; S216-N220 PolarHBondContact O-OD1 3.41Å
217E93.8Very high93.1Very high100 Ų10037.3 Ų37.347%0.46719%0.192SC..Hα-helixtrans-64.3-42174.7-70.5174-163.700112.2S213 F214 L219 N220 L221S213-E217 PolarHBondContact O-N 2.98Å; S213-E217 VanDerWaalsContact O-N 3.09Å; F214-E217 PolarHBondContact O-N 2.86Å; E217-L219 VanDerWaalsContact C-N 3.33Å; E217-L219 PolarHBondContact O-N 3.04Å; E217-N220 WeakPolarHBondContact O-CB 3.45Å; E217-N220 PolarHBondContact O-N 2.89Å; E217-N220 VanDerWaalsContact O-N 3.14Å; E217-L221 PolarHBondContact O-N 3.09Å
218L93.8Very high93Very high0 Ų035.3 Ų35.30%019%0.185CC..Hα-helixtrans-59.6-43.3175.1-178.164.3000111.7L147 K150 V151 F214 L215 N220 L221 T222 V271L147-L218 HydrophobicContact CD1-CD1 3.6Å; K150-L218 HydrophobicContact CB-CD1 3.73Å; V151-L218 HydrophobicContact CG2-CD1 3.93Å; V151-L218 HydrophobicContact CG2-CD2 4.03Å; V151-L218 HydrophobicContact CG2-CG 4.49Å; F214-L218 WeakPolarHBondContact O-CB 3.49Å; F214-L218 PolarHBondContact O-N 3.24Å; L215-L218 HydrophobicContact CD1-CD2 4.24Å; L215-L218 PolarHBondContact O-N 3.5Å; L218-N220 VanDerWaalsContact C-N 3.35Å; L218-L221 PolarHBondContact O-N 3.43Å; L218-T222 WeakPolarHBondContact O-CB 3.49Å; L218-T222 PolarHBondContact O-N 2.66Å; L218-T222 PolarHBondContact O-OG1 3.44Å; L218-V271 HydrophobicContact CD2-CG2 3.52Å; L218-V271 HydrophobicContact CG-CG2 4.3Å
219L93.7Very high92.9Very high0 Ų035.3 Ų35.30%019%0.185CC..Hα-helixtrans-66.7-34175-71176.9000112.5L215 S216 E217 T222 Q223 L268 V271 L299 R302 A303 L306L215-L219 WeakPolarHBondContact O-CG 3.48Å; L215-L219 PolarHBondContact O-N 2.94Å; S216-L219 PolarHBondContact O-N 3.44Å; E217-L219 VanDerWaalsContact C-N 3.33Å; E217-L219 PolarHBondContact O-N 3.04Å; L219-T222 PolarHBondContact O-N 2.92Å; L219-Q223 VanDerWaalsContact O-CB 3.31Å; L219-Q223 WeakPolarHBondContact O-CB 3.42Å; L219-Q223 PolarHBondContact O-N 2.9Å; L219-L268 HydrophobicContact CD2-CD2 4.35Å; L219-V271 HydrophobicContact CD2-CG1 4.05Å; L219-L299 HydrophobicContact CD1-CB 4.43Å; L219-L299 HydrophobicContact CD1-CD2 3.76Å; L219-R302 HydrophobicContact CD1-CB 4.38Å; L219-R302 HydrophobicContact CD1-CG 4.38Å; L219-A303 HydrophobicContact CD2-CB 4.1Å; L219-L306 HydrophobicContact CD2-CD1 4.01Å
220N94.1Very high92.7Very high80 Ų8031.1 Ų31.143%0.42817%0.166SC..Hα-helixtrans-63.6-47.5173.9-67.2-24.1000111.2S216 E217 L218 T222 Q223 S224 R302S216-N220 VanDerWaalsContact O-CG 3.23Å; S216-N220 PolarHBondContact O-N 2.9Å; S216-N220 PolarHBondContact O-ND2 3.38Å; S216-N220 PolarHBondContact O-OD1 3.41Å; E217-N220 WeakPolarHBondContact O-CB 3.45Å; E217-N220 PolarHBondContact O-N 2.89Å; E217-N220 VanDerWaalsContact O-N 3.14Å; L218-N220 VanDerWaalsContact C-N 3.35Å; N220-T222 VanDerWaalsContact C-N 3.35Å; N220-Q223 PolarHBondContact O-N 3.49Å; N220-S224 PolarHBondContact O-N 3.49Å; N220-R302 PolarHBondContact OD1-NH1 2.88Å; N220-R302 PolarHBondContact OD1-NH2 3.07Å
221L93.6Very high92.5Very high31 Ų3132.8 Ų32.816%0.16218%0.177CC..Hα-helixtrans-60.4-46.9176.6178.565.2000110.8E146 L147 K150 E217 L218 Q223 S224 L225E146-L221 HydrophobicContact CG-CD2 4.29Å; L147-L221 HydrophobicContact CB-CD2 4.39Å; L147-L221 HydrophobicContact CD1-CD2 4.41Å; K150-L221 HydrophobicContact CD-CD2 3.72Å; E217-L221 PolarHBondContact O-N 3.09Å; L218-L221 PolarHBondContact O-N 3.43Å; L221-Q223 VanDerWaalsContact C-N 3.29Å; L221-Q223 PolarHBondContact O-N 2.91Å; L221-S224 PolarHBondContact O-N 2.95Å; L221-L225 WeakPolarHBondContact O-CB 3.49Å; L221-L225 PolarHBondContact O-N 2.85Å
222T92.6Very high92.3Very high1 Ų138.2 Ų38.21%0.00620%0.202CC..Hα-helixtrans-59.1-42.2178.2-54.30000111.3L147 L218 L219 N220 L225 I226 V264 L268 L306L147-T222 VanDerWaalsContact CD1-OG1 3.28Å; L147-T222 WeakPolarHBondContact CD1-OG1 3.5Å; L218-T222 WeakPolarHBondContact O-CB 3.49Å; L218-T222 PolarHBondContact O-N 2.66Å; L218-T222 PolarHBondContact O-OG1 3.44Å; L219-T222 PolarHBondContact O-N 2.92Å; N220-T222 VanDerWaalsContact C-N 3.35Å; T222-L225 PolarHBondContact O-N 3.04Å; T222-I226 HydrophobicContact CG2-CD1 3.91Å; T222-I226 HydrophobicContact CG2-CG1 4.47Å; T222-I226 WeakPolarHBondContact O-CB 3.34Å; T222-I226 VanDerWaalsContact O-CG1 3.25Å; T222-I226 WeakPolarHBondContact O-CG1 3.26Å; T222-I226 PolarHBondContact O-N 3.1Å; T222-V264 HydrophobicContact CG2-CG1 3.97Å; T222-L268 HydrophobicContact CG2-CD1 4.3Å; T222-L268 HydrophobicContact CG2-CD2 3.76Å; T222-L268 HydrophobicContact CG2-CG 3.92Å; T222-L306 HydrophobicContact CG2-CD1 4.45Å
223Q93.4Very high92Very high79 Ų7938.8 Ų38.837%0.36921%0.205SC..Hα-helixtrans-63-45.2177.2-179.2175.2-14.400112.2L219 N220 L221 L225 I226 Q227 L306L219-Q223 VanDerWaalsContact O-CB 3.31Å; L219-Q223 WeakPolarHBondContact O-CB 3.42Å; L219-Q223 PolarHBondContact O-N 2.9Å; N220-Q223 PolarHBondContact O-N 3.49Å; L221-Q223 VanDerWaalsContact C-N 3.29Å; L221-Q223 PolarHBondContact O-N 2.91Å; Q223-L225 VanDerWaalsContact C-N 3.32Å; Q223-L225 PolarHBondContact O-N 3.14Å; Q223-I226 PolarHBondContact O-N 3.34Å; Q223-Q227 WeakPolarHBondContact O-CG 3.25Å; Q223-Q227 PolarHBondContact O-N 2.96Å; Q223-Q227 VanDerWaalsContact O-N 3.09Å; Q223-L306 HydrophobicContact CB-CD1 4.29Å; Q223-L306 HydrophobicContact CB-CD2 3.8Å; Q223-L306 HydrophobicContact CG-CD2 3.89Å
224S92.7Very high91.8Very high56 Ų5636.7 Ų36.739%0.39219%0.189SC..Hα-helixtrans-58.5-46.7175.7-178.10000111N220 L221 I226 Q227 D228N220-S224 PolarHBondContact O-N 3.49Å; L221-S224 PolarHBondContact O-N 2.95Å; S224-I226 VanDerWaalsContact C-N 3.35Å; S224-I226 PolarHBondContact O-N 2.73Å; S224-Q227 WeakPolarHBondContact O-CB 3.38Å; S224-Q227 PolarHBondContact O-N 3.32Å; S224-Q227 VanDerWaalsContact O-N 3.12Å; S224-D228 PolarHBondContact O-N 3.48Å
225L92.1Very high91.5Very high0 Ų037.9 Ų37.90%020%0.2CC..Hα-helixtrans-65.3-38.3-178.1-164.2163.5000111.8L140 K143 V144 L147 L221 T222 Q223 Q227 D228 L229 V264L140-L225 HydrophobicContact CD1-CG 4.34Å; K143-L225 HydrophobicContact CB-CD1 4.03Å; V144-L225 HydrophobicContact CB-CD1 4.45Å; V144-L225 HydrophobicContact CG2-CD1 3.79Å; V144-L225 HydrophobicContact CG2-CD2 4.13Å; V144-L225 HydrophobicContact CG2-CG 4.39Å; L147-L225 HydrophobicContact CB-CD1 4.41Å; L147-L225 HydrophobicContact CD2-CD1 4.23Å; L221-L225 WeakPolarHBondContact O-CB 3.49Å; L221-L225 PolarHBondContact O-N 2.85Å; T222-L225 PolarHBondContact O-N 3.04Å; Q223-L225 VanDerWaalsContact C-N 3.32Å; Q223-L225 PolarHBondContact O-N 3.14Å; L225-Q227 VanDerWaalsContact C-N 3.31Å; L225-Q227 PolarHBondContact O-N 3.48Å; L225-D228 PolarHBondContact O-N 3.14Å; L225-L229 HydrophobicContact CD2-CD1 3.36Å; L225-L229 HydrophobicContact CD2-CG 3.88Å; L225-L229 WeakPolarHBondContact O-CB 3.28Å; L225-L229 WeakPolarHBondContact O-CG 3.42Å; L225-L229 PolarHBondContact O-N 3.25Å; L225-V264 HydrophobicContact CD1-CG2 4.44Å; L225-V264 HydrophobicContact CD2-CG2 3.33Å; L225-V264 HydrophobicContact CG-CG2 4.48Å
226I91.4Very high91.2Very high0 Ų041.2 Ų41.20%022%0.216CC..Hα-helixtrans-62.4-38173.2-71.4170.5000111.6T222 Q223 S224 I230 V264 L268 L306 L310T222-I226 HydrophobicContact CG2-CD1 3.91Å; T222-I226 HydrophobicContact CG2-CG1 4.47Å; T222-I226 WeakPolarHBondContact O-CB 3.34Å; T222-I226 VanDerWaalsContact O-CG1 3.25Å; T222-I226 WeakPolarHBondContact O-CG1 3.26Å; T222-I226 PolarHBondContact O-N 3.1Å; Q223-I226 PolarHBondContact O-N 3.34Å; S224-I226 VanDerWaalsContact C-N 3.35Å; S224-I226 PolarHBondContact O-N 2.73Å; I226-I230 HydrophobicContact CG2-CD1 3.52Å; I226-I230 HydrophobicContact CG2-CG1 4.26Å; I226-I230 WeakPolarHBondContact O-CB 3.31Å; I226-I230 VanDerWaalsContact O-CG1 3.29Å; I226-I230 WeakPolarHBondContact O-CG1 3.37Å; I226-I230 PolarHBondContact O-N 2.88Å; I226-V264 HydrophobicContact CD1-CG1 4.07Å; I226-V264 HydrophobicContact CG1-CG1 3.83Å; I226-L268 HydrophobicContact CD1-CD1 4.14Å; I226-L306 HydrophobicContact CD1-CB 3.95Å; I226-L306 HydrophobicContact CD1-CD2 4.19Å; I226-L310 HydrophobicContact CD1-CB 4.41Å; I226-L310 HydrophobicContact CG1-CD1 4.32Å
227Q91.8Very high91Very high75 Ų7539.6 Ų39.635%0.3520%0.204SC..Hα-helixtrans-66.2-46.4176.9-67.9-61.9-39.100111.4Q223 S224 L225 L229 I230 N231Q223-Q227 WeakPolarHBondContact O-CG 3.25Å; Q223-Q227 PolarHBondContact O-N 2.96Å; Q223-Q227 VanDerWaalsContact O-N 3.09Å; S224-Q227 WeakPolarHBondContact O-CB 3.38Å; S224-Q227 PolarHBondContact O-N 3.32Å; S224-Q227 VanDerWaalsContact O-N 3.12Å; L225-Q227 VanDerWaalsContact C-N 3.31Å; L225-Q227 PolarHBondContact O-N 3.48Å; Q227-L229 VanDerWaalsContact C-N 3.32Å; Q227-L229 PolarHBondContact O-N 3.23Å; Q227-I230 PolarHBondContact O-N 2.92Å; Q227-N231 VanDerWaalsContact O-CB 3.26Å; Q227-N231 WeakPolarHBondContact O-CB 3.45Å; Q227-N231 PolarHBondContact O-N 3.08Å; Q227-N231 PolarHBondContact O-ND2 2.92Å; Q227-N231 PolarHBondContact OE1-ND2 3Å
228D90.4Very high90.7Very high29 Ų2939.4 Ų39.416%0.15520%0.202CC..Hα-helixtrans-57.6-46.6176.4-59.2-5.6000110.2L140 K143 S224 L225 I230 E232 E233L140-D228 HydrophobicContact CD1-CB 4.18Å; K143-D228 IonicContact NZ-OD2 2.72Å; K143-D228 PolarHBondContact NZ-OD2 2.88Å; S224-D228 PolarHBondContact O-N 3.48Å; L225-D228 PolarHBondContact O-N 3.14Å; D228-I230 PolarHBondContact O-N 2.87Å; D228-E232 WeakPolarHBondContact O-CB 3.35Å; D228-E232 PolarHBondContact O-N 3.27Å; D228-E232 VanDerWaalsContact O-N 3.1Å; D228-E233 PolarHBondContact O-N 3.02Å
229L89.9Confident90.3Very high0 Ų044 Ų440%022%0.223CC..Iπ-helixtrans-64.3-42.8179.4-77.3174.4000114L140 L225 Q227 L234 W260 F261 V264L140-L229 HydrophobicContact CD2-CD2 3.73Å; L140-L229 HydrophobicContact CD2-CG 4.44Å; L225-L229 HydrophobicContact CD2-CD1 3.36Å; L225-L229 HydrophobicContact CD2-CG 3.88Å; L225-L229 WeakPolarHBondContact O-CB 3.28Å; L225-L229 WeakPolarHBondContact O-CG 3.42Å; L225-L229 PolarHBondContact O-N 3.25Å; Q227-L229 VanDerWaalsContact C-N 3.32Å; Q227-L229 PolarHBondContact O-N 3.23Å; L229-L234 WeakPolarHBondContact O-CB 3.25Å; L229-L234 PolarHBondContact O-N 3.22Å; L229-W260 HydrophobicContact CD1-CB 4.25Å; L229-W260 HydrophobicContact CD2-CB 3.74Å; L229-W260 HydrophobicContact CD2-CD2 4.19Å; L229-W260 HydrophobicContact CD2-CE3 3.66Å; L229-W260 HydrophobicContact CD2-CG 4.29Å; L229-F261 HydrophobicContact CB-CE2 4.03Å; L229-F261 HydrophobicContact CB-CZ 4.3Å; L229-F261 HydrophobicContact CD1-CD2 4.28Å; L229-F261 HydrophobicContact CD1-CE2 4.37Å; L229-F261 HydrophobicContact CD2-CD2 4.31Å; L229-F261 HydrophobicContact CD2-CE2 4.13Å; L229-F261 HydrophobicContact CG-CE2 4.43Å; L229-V264 HydrophobicContact CD1-CG2 4.06Å
230I89.6Confident90Very high22 Ų2246.4 Ų46.411%0.11323%0.232CC..Iπ-helixtrans-83.3-34.5-173.5-67.2177.1000111.9I226 Q227 D228 P235I226-I230 HydrophobicContact CG2-CD1 3.52Å; I226-I230 HydrophobicContact CG2-CG1 4.26Å; I226-I230 WeakPolarHBondContact O-CB 3.31Å; I226-I230 VanDerWaalsContact O-CG1 3.29Å; I226-I230 WeakPolarHBondContact O-CG1 3.37Å; I226-I230 PolarHBondContact O-N 2.88Å; Q227-I230 PolarHBondContact O-N 2.92Å; D228-I230 PolarHBondContact O-N 2.87Å; I230-P235 WeakPolarHBondContact O-CD 3.46Å; I230-P235 WeakPolarHBondContact O-CG 3.31Å
231N88.8Confident89.8Confident94 Ų9443.3 Ų43.350%0.50322%0.215SC..Iπ-helixtrans-97-25-172.5-60.5-26.5000113.8Q227 P235Q227-N231 VanDerWaalsContact O-CB 3.26Å; Q227-N231 WeakPolarHBondContact O-CB 3.45Å; Q227-N231 PolarHBondContact O-N 3.08Å; Q227-N231 PolarHBondContact O-ND2 2.92Å; Q227-N231 PolarHBondContact OE1-ND2 3Å; N231-P235 WeakPolarHBondContact O-CG 3.34Å
232E88.1Confident89.5Confident115 Ų11542.3 Ų42.354%0.53721%0.209SC..Iπ-helixtrans-111.7-67.6-177.1-55.8-176.9171.600110.2D228 L234 P235 E236D228-E232 WeakPolarHBondContact O-CB 3.35Å; D228-E232 PolarHBondContact O-N 3.27Å; D228-E232 VanDerWaalsContact O-N 3.1Å; E232-L234 PolarHBondContact O-N 3.49Å; E232-P235 VanDerWaalsContact O-CD 3.31Å; E232-P235 WeakPolarHBondContact O-CD 3.45Å; E232-E236 WeakPolarHBondContact O-CB 3.45Å; E232-E236 WeakPolarHBondContact O-CG 3.47Å; E232-E236 PolarHBondContact O-N 2.84Å
233E88.6Confident89.3Confident16 Ų1644.5 Ų44.58%0.07522%0.221CC..Iπ-helixtrans-64.5-44.7-170.8-69.5-64.5156.700114.1L140 D228 W237 L257 W260L140-E233 HydrophobicContact CD2-CG 3.59Å; D228-E233 PolarHBondContact O-N 3.02Å; E233-W237 WeakPolarHBondContact O-CB 3.41Å; E233-W237 PolarHBondContact O-N 3.41Å; E233-L257 HydrophobicContact CB-CD2 3.87Å; E233-W260 HydrophobicContact CB-CZ3 4.45Å; E233-W260 HydrophobicContact CG-CZ3 3.99Å
234L88.4Confident89Confident3 Ų342.2 Ų42.22%0.01622%0.215CC..Hα-helixtrans-68.1-45.2-178.8176.868.5000112.2L229 E232 W237 K238 F261 S313 V316 L346L229-L234 WeakPolarHBondContact O-CB 3.25Å; L229-L234 PolarHBondContact O-N 3.22Å; E232-L234 PolarHBondContact O-N 3.49Å; L234-W237 HydrophobicContact CD1-CE3 4.41Å; L234-W237 PolarHBondContact O-N 3.37Å; L234-K238 WeakPolarHBondContact O-CG 3.5Å; L234-K238 PolarHBondContact O-N 2.82Å; L234-F261 HydrophobicContact CD2-CZ 4.43Å; L234-S313 WeakPolarHBondContact CD2-O 3.48Å; L234-V316 HydrophobicContact CD1-CG1 3.86Å; L234-L346 HydrophobicContact CD1-CD1 4.15Å
235P88.5Confident88.8Confident56 Ų5640.5 Ų40.536%0.36420%0.203SC..Hα-helixtrans-61.2-43172.4-30.239.9000113.5I230 N231 E232 W237 K238 Q239I230-P235 WeakPolarHBondContact O-CD 3.46Å; I230-P235 WeakPolarHBondContact O-CG 3.31Å; N231-P235 WeakPolarHBondContact O-CG 3.34Å; E232-P235 VanDerWaalsContact O-CD 3.31Å; E232-P235 WeakPolarHBondContact O-CD 3.45Å; P235-W237 PolarHBondContact O-N 3.26Å; P235-K238 WeakPolarHBondContact O-CB 3.34Å; P235-K238 PolarHBondContact O-N 3.35Å; P235-Q239 PolarHBondContact O-N 3.22Å
236E87.3Confident88.6Confident70 Ų7040.6 Ų40.633%0.32720%0.204SC..Hα-helixtrans-61.3-44.7175.8-77.8-172.8-172.300112.2E232 K238 Q239 R240E232-E236 WeakPolarHBondContact O-CB 3.45Å; E232-E236 WeakPolarHBondContact O-CG 3.47Å; E232-E236 PolarHBondContact O-N 2.84Å; E236-K238 VanDerWaalsContact C-N 3.29Å; E236-K238 PolarHBondContact O-N 2.93Å; E236-Q239 WeakPolarHBondContact O-CB 3.38Å; E236-Q239 PolarHBondContact O-N 3.24Å; E236-Q239 VanDerWaalsContact O-N 3.17Å; E236-R240 WeakPolarHBondContact O-CG 3.47Å; E236-R240 PolarHBondContact O-N 3.36Å; E236-R240 IonicContact OE2-NH2 3.17Å; E236-R240 PolarHBondContact OE2-NH2 3.48Å
237W88.9Confident88.3Confident4 Ų441.5 Ų41.52%0.01521%0.212CC..Hα-helixtrans-62.3-38.6176.1175.186.2000111.7E233 L234 P235 Q239 R240 Q241 N251 A252 V254 L257 V316E233-W237 WeakPolarHBondContact O-CB 3.41Å; E233-W237 PolarHBondContact O-N 3.41Å; L234-W237 HydrophobicContact CD1-CE3 4.41Å; L234-W237 PolarHBondContact O-N 3.37Å; P235-W237 PolarHBondContact O-N 3.26Å; W237-Q239 VanDerWaalsContact C-N 3.34Å; W237-R240 PolarHBondContact O-N 3.16Å; W237-Q241 HydrophobicContact CH2-CG 4.48Å; W237-Q241 HydrophobicContact CZ2-CB 4.44Å; W237-Q241 WeakPolarHBondContact O-CB 3.37Å; W237-Q241 PolarHBondContact O-N 3.47Å; W237-N251 PolarHBondContact NE1-ND2 2.69Å; W237-N251 VanDerWaalsContact NE1-ND2 3.15Å; W237-A252 PolarHBondContact NE1-O 3.34Å; W237-V254 HydrophobicContact CH2-CG2 4.22Å; W237-V254 HydrophobicContact CZ2-CG2 3.3Å; W237-L257 HydrophobicContact CB-CD1 3.53Å; W237-L257 HydrophobicContact CD2-CD1 3.88Å; W237-L257 HydrophobicContact CE3-CD1 4.42Å; W237-L257 HydrophobicContact CG-CD1 3.42Å; W237-L257 VanDerWaalsContact CG-CD1 3.42Å; W237-V316 HydrophobicContact CH2-CG2 4.47Å; W237-V316 HydrophobicContact CZ3-CB 4.24Å; W237-V316 HydrophobicContact CZ3-CG1 4.49Å
238K86.8Confident87.9Confident97 Ų9738.5 Ų38.542%0.42220%0.202SC..Hα-helixtrans-63-40.3173.5-74.8172-178.1167.10111.6L234 P235 E236 Q241 Q242L234-K238 WeakPolarHBondContact O-CG 3.5Å; L234-K238 PolarHBondContact O-N 2.82Å; P235-K238 WeakPolarHBondContact O-CB 3.34Å; P235-K238 PolarHBondContact O-N 3.35Å; E236-K238 VanDerWaalsContact C-N 3.29Å; E236-K238 PolarHBondContact O-N 2.93Å; K238-Q241 PolarHBondContact O-N 3.2Å; K238-Q242 WeakPolarHBondContact O-CB 3.22Å; K238-Q242 PolarHBondContact O-N 3.35Å
239Q86.8Confident87.4Confident95 Ų9541 Ų4144%0.44422%0.22SC..Hα-helixtrans-65.6-43.4175.6-175.8178.3-0.600111.7P235 E236 W237 Q241 Q242 I243 T475P235-Q239 PolarHBondContact O-N 3.22Å; E236-Q239 WeakPolarHBondContact O-CB 3.38Å; E236-Q239 PolarHBondContact O-N 3.24Å; E236-Q239 VanDerWaalsContact O-N 3.17Å; W237-Q239 VanDerWaalsContact C-N 3.34Å; Q239-Q241 VanDerWaalsContact C-N 3.35Å; Q239-Q241 PolarHBondContact O-N 2.95Å; Q239-Q242 WeakPolarHBondContact O-CB 3.35Å; Q239-Q242 PolarHBondContact O-N 2.92Å; Q239-I243 HydrophobicContact CG-CD1 4.23Å; Q239-I243 WeakPolarHBondContact O-CG1 3.4Å; Q239-I243 PolarHBondContact O-N 3.03Å; Q239-T475 HydrophobicContact CG-CG2 4.26Å
240R87Confident86.6Confident52 Ų5247.2 Ų47.220%0.19626%0.26CS..Hα-helixtrans-61.7-42.3173.5-72.6-178-108.3124-8.4111.5E236 W237 Q242 I243 A244E236-R240 WeakPolarHBondContact O-CG 3.47Å; E236-R240 PolarHBondContact O-N 3.36Å; E236-R240 IonicContact OE2-NH2 3.17Å; E236-R240 PolarHBondContact OE2-NH2 3.48Å; W237-R240 PolarHBondContact O-N 3.16Å; R240-Q242 VanDerWaalsContact C-N 3.32Å; R240-Q242 PolarHBondContact O-N 3.31Å; R240-I243 PolarHBondContact O-N 3.03Å; R240-A244 WeakPolarHBondContact O-CB 3.36Å; R240-A244 PolarHBondContact O-N 2.93Å
241Q88.7Confident85.8Confident14 Ų1448.5 Ų48.57%0.06527%0.267CS..Hα-helixtrans-61-41.7173.8-171.8-170.354.500111.5W237 K238 Q239 A244 C245 V317 E318W237-Q241 HydrophobicContact CH2-CG 4.48Å; W237-Q241 HydrophobicContact CZ2-CB 4.44Å; W237-Q241 WeakPolarHBondContact O-CB 3.37Å; W237-Q241 PolarHBondContact O-N 3.47Å; K238-Q241 PolarHBondContact O-N 3.2Å; Q239-Q241 VanDerWaalsContact C-N 3.35Å; Q239-Q241 PolarHBondContact O-N 2.95Å; Q241-A244 PolarHBondContact O-N 3.13Å; Q241-C245 WeakPolarHBondContact O-CB 3.43Å; Q241-C245 PolarHBondContact O-N 3.19Å; Q241-C245 PolarHBondContact O-SG 3.45Å; Q241-V317 PolarHBondContact NE2-O 3.14Å; Q241-V317 PolarHBondContact OE1-O 2.77Å; Q241-E318 PolarHBondContact NE2-O 3.01Å
242Q87.6Confident84.5Confident10 Ų1046 Ų465%0.04726%0.259CS..Hα-helixtrans-62.6-43.6177.6174.1174.6-22.800112K238 Q239 R240 C245 I246 L449 N471 T474K238-Q242 WeakPolarHBondContact O-CB 3.22Å; K238-Q242 PolarHBondContact O-N 3.35Å; Q239-Q242 WeakPolarHBondContact O-CB 3.35Å; Q239-Q242 PolarHBondContact O-N 2.92Å; R240-Q242 VanDerWaalsContact C-N 3.32Å; R240-Q242 PolarHBondContact O-N 3.31Å; Q242-C245 WeakPolarHBondContact O-CB 3.44Å; Q242-C245 PolarHBondContact O-N 3.08Å; Q242-I246 PolarHBondContact O-N 2.87Å; Q242-L449 HydrophobicContact CB-CD1 4.01Å; Q242-L449 HydrophobicContact CG-CD1 4.26Å; Q242-N471 HydrophobicContact CG-CB 3.64Å; Q242-N471 WeakPolarHBondContact CG-OD1 3.41Å; Q242-N471 VanDerWaalsContact NE2-C 3.34Å; Q242-N471 PolarHBondContact NE2-O 3.21Å; Q242-T474 PolarHBondContact NE2-O 3.14Å
243I88.4Confident83.6Confident48 Ų4844.2 Ų44.225%0.24626%0.259CS..Hα-helixtrans-65-46.1174.6-70.4166.7000111.1Q239 R240 C245 I246 G247 G248 W500Q239-I243 HydrophobicContact CG-CD1 4.23Å; Q239-I243 WeakPolarHBondContact O-CG1 3.4Å; Q239-I243 PolarHBondContact O-N 3.03Å; R240-I243 PolarHBondContact O-N 3.03Å; I243-C245 VanDerWaalsContact C-N 3.26Å; I243-C245 PolarHBondContact O-N 3.36Å; I243-I246 WeakPolarHBondContact O-CG1 3.49Å; I243-I246 PolarHBondContact O-N 3.11Å; I243-I246 VanDerWaalsContact O-N 3.09Å; I243-G247 PolarHBondContact O-N 3.34Å; I243-G248 PolarHBondContact O-N 3.01Å; I243-W500 HydrophobicContact CG2-CE3 4.43Å; I243-W500 HydrophobicContact CG2-CH2 3.61Å; I243-W500 HydrophobicContact CG2-CZ2 4.34Å; I243-W500 HydrophobicContact CG2-CZ3 3.65Å
244A87.9Confident83.4Confident30 Ų3043.9 Ų43.925%0.24826%0.258CS..Hα-helixtrans-61.8-35.6176.700000111.9R240 Q241 I246 G247 N251R240-A244 WeakPolarHBondContact O-CB 3.36Å; R240-A244 PolarHBondContact O-N 2.93Å; Q241-A244 PolarHBondContact O-N 3.13Å; A244-I246 PolarHBondContact O-N 3.38Å; A244-G247 PolarHBondContact O-N 3.25Å; A244-G247 VanDerWaalsContact O-N 3.07Å; A244-N251 HydrophobicContact CB-CB 3.92Å
245C87.6Confident83.3Confident21 Ų2146 Ų4614%0.14227%0.269CS..Hα-helixtrans-62.4-30.1176.2-750000112.7Q241 Q242 I243 G247 P330 W464Q241-C245 WeakPolarHBondContact O-CB 3.43Å; Q241-C245 PolarHBondContact O-N 3.19Å; Q241-C245 PolarHBondContact O-SG 3.45Å; Q242-C245 WeakPolarHBondContact O-CB 3.44Å; Q242-C245 PolarHBondContact O-N 3.08Å; I243-C245 VanDerWaalsContact C-N 3.26Å; I243-C245 PolarHBondContact O-N 3.36Å; C245-G247 VanDerWaalsContact C-N 3.34Å; C245-P330 HydrophobicContact CB-CG 4.32Å; C245-P330 WeakPolarHBondContact O-CG 3.29Å; C245-W464 WeakPolarHBondContact O-CH2 3.43Å
246I88.8Confident83.1Confident2 Ų245.9 Ų45.91%0.0126%0.264CS..THydrogen-bonded Turntrans-91.58.9176.660.9172000113.3Q242 I243 A244 I467 L468 N471 V497 W500 Q501Q242-I246 PolarHBondContact O-N 2.87Å; I243-I246 WeakPolarHBondContact O-CG1 3.49Å; I243-I246 PolarHBondContact O-N 3.11Å; I243-I246 VanDerWaalsContact O-N 3.09Å; A244-I246 PolarHBondContact O-N 3.38Å; I246-I467 HydrophobicContact CG2-CG2 4.45Å; I246-L468 HydrophobicContact CB-CD2 3.73Å; I246-L468 HydrophobicContact CG2-CD2 3.91Å; I246-N471 HydrophobicContact CG2-CB 3.68Å; I246-V497 HydrophobicContact CD1-CG1 4.37Å; I246-V497 HydrophobicContact CD1-CG2 3.95Å; I246-W500 HydrophobicContact CD1-CE3 4.34Å; I246-W500 HydrophobicContact CD1-CZ3 4.12Å; I246-W500 HydrophobicContact CG1-CE3 4.34Å; I246-W500 HydrophobicContact CG1-CZ3 4.41Å; I246-Q501 PolarHBondContact O-NE2 3.29Å
247G84.4Confident83.2Confident18 Ų1842.9 Ų42.919%0.18625%0.25CC..THydrogen-bonded Turntrans978.2176.900000114.9I243 A244 C245 W500I243-G247 PolarHBondContact O-N 3.34Å; A244-G247 PolarHBondContact O-N 3.25Å; A244-G247 VanDerWaalsContact O-N 3.07Å; C245-G247 VanDerWaalsContact C-N 3.34Å; G247-W500 WeakPolarHBondContact O-CB 3.43Å
248G84.2Confident83.2Confident13 Ų1343 Ų4313%0.13425%0.25CS..  trans-67.4-174.6171.600000113.2I243 W500I243-G248 PolarHBondContact O-N 3.01Å; G248-W500 VanDerWaalsContact CA-CD2 3.41Å
249P78.7Confident83.3Confident81 Ų8143.2 Ų43.253%0.52626%0.256SS..SBendtrans-55.7149-174.422.5-34000112.2N251P249-N251 PolarHBondContact O-N 3.12Å
250P73.8Confident83.5Confident131 Ų13138.9 Ų38.985%0.85124%0.236SC*.PPolyproline II helixtrans-52.6131.7-179.3-24.632.8000111.6
251N72.2Confident83.7Confident49 Ų4936.4 Ų36.426%0.26223%0.227SC..PPolyproline II helixtrans-66.4136.7178.6-170.719.4000110.4W237 A244 P249 C253W237-N251 PolarHBondContact NE1-ND2 2.69Å; W237-N251 VanDerWaalsContact NE1-ND2 3.15Å; A244-N251 HydrophobicContact CB-CB 3.92Å; P249-N251 PolarHBondContact O-N 3.12Å; N251-C253 PolarHBondContact O-N 3.37Å
252A62.2Low83.9Confident40 Ų4036.3 Ų36.333%0.33123%0.227SC..PPolyproline II helixtrans-57.8137.4167.900000109.6W237W237-A252 PolarHBondContact NE1-O 3.34Å
253C69.9Low84.1Confident79 Ų7936 Ų3653%0.53423%0.226SC..PPolyproline II helixtrans-54.8145.9-179.4620000111.1N251 D255N251-C253 PolarHBondContact O-N 3.37Å; C253-D255 HydrophobicContact CB-CB 4.39Å; C253-D255 WeakPolarHBondContact CB-OD2 3.48Å; C253-D255 PolarHBondContact O-N 2.98Å; C253-D255 VanDerWaalsContact O-N 3.13Å
254V84.6Confident84.3Confident8 Ų833.7 Ų33.75%0.04821%0.214CC..THydrogen-bonded Turntrans-67.5-9.9177.1-171.70000111.5W237 Q256 L257 Q258 E318 L346W237-V254 HydrophobicContact CH2-CG2 4.22Å; W237-V254 HydrophobicContact CZ2-CG2 3.3Å; V254-Q256 PolarHBondContact O-N 3.18Å; V254-L257 PolarHBondContact O-N 3.06Å; V254-Q258 PolarHBondContact O-N 3.38Å; V254-E318 HydrophobicContact CG2-CG 4.26Å; V254-L346 HydrophobicContact CG1-CD2 3.21Å
255D84.9Confident84.5Confident48 Ų4832.3 Ų32.326%0.25720%0.203SC..Hα-helixtrans-63.5-38.5-170.5-56.7-35.9000112.3C253 Q258 N259 R344C253-D255 HydrophobicContact CB-CB 4.39Å; C253-D255 WeakPolarHBondContact CB-OD2 3.48Å; C253-D255 PolarHBondContact O-N 2.98Å; C253-D255 VanDerWaalsContact O-N 3.13Å; D255-Q258 PolarHBondContact O-N 3.46Å; D255-N259 PolarHBondContact O-N 3.47Å; D255-N259 PolarHBondContact O-ND2 3.01Å; D255-N259 PolarHBondContact O-OD1 3.47Å; D255-R344 IonicContact OD1-CZ 2.77Å; D255-R344 VanDerWaalsContact OD1-CZ 3.3Å; D255-R344 IonicContact OD1-NH1 2.66Å; D255-R344 PolarHBondContact OD1-NH1 2.99Å; D255-R344 IonicContact OD1-NH2 2.7Å; D255-R344 PolarHBondContact OD1-NH2 2.9Å
256Q84.9Confident84.7Confident53 Ų5334.9 Ų34.925%0.24821%0.213CC..Hα-helixtrans-62-48.2175.9-171.8174.725.200111.5K137 V254 Q258 N259 W260K137-Q256 VanDerWaalsContact NZ-OE1 3.07Å; V254-Q256 PolarHBondContact O-N 3.18Å; Q256-Q258 VanDerWaalsContact C-N 3.33Å; Q256-Q258 PolarHBondContact O-N 3.01Å; Q256-N259 PolarHBondContact O-N 3.4Å; Q256-W260 VanDerWaalsContact CD-CZ2 3.49Å; Q256-W260 HydrophobicContact CG-CD2 4.23Å; Q256-W260 HydrophobicContact CG-CE3 4.39Å; Q256-W260 HydrophobicContact CG-CH2 3.68Å; Q256-W260 HydrophobicContact CG-CZ2 3.48Å; Q256-W260 VanDerWaalsContact CG-CZ2 3.48Å; Q256-W260 HydrophobicContact CG-CZ3 4.12Å; Q256-W260 PolarHBondContact O-N 2.68Å; Q256-W260 VanDerWaalsContact O-N 3.14Å
257L88.4Confident84.8Confident7 Ų735 Ų354%0.03721%0.213CC..Hα-helixtrans-60.5-43.2174.2-73177000111.5E233 W237 V254 N259 W260 F261 L346E233-L257 HydrophobicContact CB-CD2 3.87Å; W237-L257 HydrophobicContact CB-CD1 3.53Å; W237-L257 HydrophobicContact CD2-CD1 3.88Å; W237-L257 HydrophobicContact CE3-CD1 4.42Å; W237-L257 HydrophobicContact CG-CD1 3.42Å; W237-L257 VanDerWaalsContact CG-CD1 3.42Å; V254-L257 PolarHBondContact O-N 3.06Å; L257-N259 VanDerWaalsContact C-N 3.28Å; L257-N259 PolarHBondContact O-N 2.98Å; L257-W260 HydrophobicContact CD2-CE3 3.85Å; L257-W260 HydrophobicContact CD2-CZ3 3.92Å; L257-W260 PolarHBondContact O-N 3.37Å; L257-F261 WeakPolarHBondContact O-CB 3.35Å; L257-F261 VanDerWaalsContact O-CD2 3.26Å; L257-F261 WeakPolarHBondContact O-CD2 2.99Å; L257-F261 PolarHBondContact O-N 3.42Å; L257-L346 HydrophobicContact CB-CD2 4.43Å
258Q89.3Confident85.2Confident6 Ų634.3 Ų34.33%0.02821%0.205CC..Hα-helixtrans-59.4-42.4178.2-168.4-173.2-85.400111V254 D255 Q256 T262 R344 L346V254-Q258 PolarHBondContact O-N 3.38Å; D255-Q258 PolarHBondContact O-N 3.46Å; Q256-Q258 VanDerWaalsContact C-N 3.33Å; Q256-Q258 PolarHBondContact O-N 3.01Å; Q258-T262 WeakPolarHBondContact O-CB 3.42Å; Q258-T262 PolarHBondContact O-N 3.15Å; Q258-T262 PolarHBondContact O-OG1 3.26Å; Q258-R344 VanDerWaalsContact CD-NH2 3.26Å; Q258-L346 WeakPolarHBondContact CA-O 3.22Å; Q258-L346 WeakPolarHBondContact CG-O 3.42Å
259N89.1Confident85.4Confident102 Ų10236 Ų3655%0.54521%0.21SC..Hα-helixtrans-63.1-44.4179.4-68.6-16000111.5D255 Q256 L257 A263D255-N259 PolarHBondContact O-N 3.47Å; D255-N259 PolarHBondContact O-ND2 3.01Å; D255-N259 PolarHBondContact O-OD1 3.47Å; Q256-N259 PolarHBondContact O-N 3.4Å; L257-N259 VanDerWaalsContact C-N 3.28Å; L257-N259 PolarHBondContact O-N 2.98Å; N259-A263 VanDerWaalsContact O-CB 3.26Å; N259-A263 WeakPolarHBondContact O-CB 3.3Å; N259-A263 PolarHBondContact O-N 3.45Å
260W91.2Very high86Confident5 Ų535.5 Ų35.52%0.01920%0.201CC..Hα-helixtrans-65-49.7176.4-61-30000112.5K137 L140 D141 V144 L229 E233 Q256 L257 T262 A263 V264K137-W260 HydrophobicContact CB-CH2 4.45Å; K137-W260 HydrophobicContact CG-CH2 4.19Å; L140-W260 HydrophobicContact CB-CZ2 4.29Å; L140-W260 HydrophobicContact CD2-CD2 3.98Å; L140-W260 HydrophobicContact CD2-CE3 3.68Å; L140-W260 HydrophobicContact CD2-CH2 3.9Å; L140-W260 HydrophobicContact CD2-CZ2 4.17Å; L140-W260 HydrophobicContact CD2-CZ3 3.66Å; L140-W260 HydrophobicContact CG-CD2 4.47Å; D141-W260 PolarHBondContact OD1-NE1 3.18Å; V144-W260 HydrophobicContact CG2-CB 4.3Å; V144-W260 HydrophobicContact CG2-CG 4.19Å; L229-W260 HydrophobicContact CD1-CB 4.25Å; L229-W260 HydrophobicContact CD2-CB 3.74Å; L229-W260 HydrophobicContact CD2-CD2 4.19Å; L229-W260 HydrophobicContact CD2-CE3 3.66Å; L229-W260 HydrophobicContact CD2-CG 4.29Å; E233-W260 HydrophobicContact CB-CZ3 4.45Å; E233-W260 HydrophobicContact CG-CZ3 3.99Å; Q256-W260 VanDerWaalsContact CD-CZ2 3.49Å; Q256-W260 HydrophobicContact CG-CD2 4.23Å; Q256-W260 HydrophobicContact CG-CE3 4.39Å; Q256-W260 HydrophobicContact CG-CH2 3.68Å; Q256-W260 HydrophobicContact CG-CZ2 3.48Å; Q256-W260 VanDerWaalsContact CG-CZ2 3.48Å; Q256-W260 HydrophobicContact CG-CZ3 4.12Å; Q256-W260 PolarHBondContact O-N 2.68Å; Q256-W260 VanDerWaalsContact O-N 3.14Å; L257-W260 HydrophobicContact CD2-CE3 3.85Å; L257-W260 HydrophobicContact CD2-CZ3 3.92Å; L257-W260 PolarHBondContact O-N 3.37Å; W260-T262 VanDerWaalsContact C-N 3.29Å; W260-T262 PolarHBondContact O-N 3.37Å; W260-A263 PolarHBondContact O-N 2.75Å; W260-V264 VanDerWaalsContact O-CG2 3.25Å; W260-V264 WeakPolarHBondContact O-CG2 3.38Å; W260-V264 PolarHBondContact O-N 3.5Å
261F92.1Very high86.9Confident0 Ų029.3 Ų29.30%016%0.16CC..Hα-helixtrans-60-40.7178-88.8-106.1000111.8L229 L234 L257 A265 L310 L346 V347L229-F261 HydrophobicContact CB-CE2 4.03Å; L229-F261 HydrophobicContact CB-CZ 4.3Å; L229-F261 HydrophobicContact CD1-CD2 4.28Å; L229-F261 HydrophobicContact CD1-CE2 4.37Å; L229-F261 HydrophobicContact CD2-CD2 4.31Å; L229-F261 HydrophobicContact CD2-CE2 4.13Å; L229-F261 HydrophobicContact CG-CE2 4.43Å; L234-F261 HydrophobicContact CD2-CZ 4.43Å; L257-F261 WeakPolarHBondContact O-CB 3.35Å; L257-F261 VanDerWaalsContact O-CD2 3.26Å; L257-F261 WeakPolarHBondContact O-CD2 2.99Å; L257-F261 PolarHBondContact O-N 3.42Å; F261-A265 WeakPolarHBondContact O-CB 3.47Å; F261-A265 PolarHBondContact O-N 3.22Å; F261-L310 HydrophobicContact CD1-CD1 3.46Å; F261-L310 VanDerWaalsContact CD1-CD1 3.46Å; F261-L310 HydrophobicContact CD1-CG 4.14Å; F261-L310 HydrophobicContact CE1-CD1 3.68Å; F261-L310 HydrophobicContact CG-CD1 4.2Å; F261-L346 HydrophobicContact CB-CB 3.82Å; F261-L346 HydrophobicContact CD1-CB 4.02Å; F261-L346 HydrophobicContact CD1-CD1 4.23Å; F261-L346 HydrophobicContact CD2-CB 4.38Å; F261-L346 HydrophobicContact CD2-CD1 4Å; F261-L346 HydrophobicContact CE1-CD1 4.2Å; F261-L346 HydrophobicContact CE2-CD1 3.95Å; F261-L346 HydrophobicContact CG-CB 3.82Å; F261-L346 HydrophobicContact CG-CD1 4.13Å; F261-L346 HydrophobicContact CZ-CD1 4.05Å; F261-V347 HydrophobicContact CB-CG2 4.16Å; F261-V347 HydrophobicContact CD1-CG2 4.41Å
262T91.5Very high87.7Confident12 Ų1232.1 Ų32.17%0.07417%0.167CC..Hα-helixtrans-67.1-46.9178.2-58.50000111.1Q258 W260 V264 A265 E266 L346 K348Q258-T262 WeakPolarHBondContact O-CB 3.42Å; Q258-T262 PolarHBondContact O-N 3.15Å; Q258-T262 PolarHBondContact O-OG1 3.26Å; W260-T262 VanDerWaalsContact C-N 3.29Å; W260-T262 PolarHBondContact O-N 3.37Å; T262-V264 VanDerWaalsContact C-N 3.31Å; T262-V264 PolarHBondContact O-N 3.05Å; T262-A265 PolarHBondContact O-N 3.3Å; T262-A265 VanDerWaalsContact O-N 3.14Å; T262-E266 HydrophobicContact CG2-CG 4.24Å; T262-E266 WeakPolarHBondContact O-CB 3.38Å; T262-E266 WeakPolarHBondContact O-CG 3.49Å; T262-E266 PolarHBondContact O-N 3.2Å; T262-L346 PolarHBondContact OG1-O 3.37Å; T262-L346 VanDerWaalsContact OG1-O 3.13Å; T262-K348 HydrophobicContact CG2-CB 4.02Å; T262-K348 VanDerWaalsContact CG2-O 3.31Å; T262-K348 WeakPolarHBondContact CG2-O 3.49Å; T262-K348 WeakPolarHBondContact OG1-CB 3.48Å; T262-K348 PolarHBondContact OG1-N 3.12Å
263A91.8Very high89.1Confident3 Ų335.4 Ų35.43%0.02518%0.176CC..Hα-helixtrans-58-41.8178.100000112.8V144 N259 W260 S267V144-A263 HydrophobicContact CG1-CB 3.54Å; N259-A263 VanDerWaalsContact O-CB 3.26Å; N259-A263 WeakPolarHBondContact O-CB 3.3Å; N259-A263 PolarHBondContact O-N 3.45Å; W260-A263 PolarHBondContact O-N 2.75Å; A263-S267 WeakPolarHBondContact O-CB 3.47Å; A263-S267 PolarHBondContact O-N 3.44Å; A263-S267 PolarHBondContact O-OG 3.06Å
264V93.4Very high90.2Very high0 Ų031.9 Ų31.90%015%0.152CC..Hα-helixtrans-69.3-40.2177.5178.60000111.1L147 T222 L225 I226 L229 W260 T262 S267 L268 L310L147-V264 HydrophobicContact CD2-CB 4.47Å; L147-V264 HydrophobicContact CD2-CG2 4.05Å; T222-V264 HydrophobicContact CG2-CG1 3.97Å; L225-V264 HydrophobicContact CD1-CG2 4.44Å; L225-V264 HydrophobicContact CD2-CG2 3.33Å; L225-V264 HydrophobicContact CG-CG2 4.48Å; I226-V264 HydrophobicContact CD1-CG1 4.07Å; I226-V264 HydrophobicContact CG1-CG1 3.83Å; L229-V264 HydrophobicContact CD1-CG2 4.06Å; W260-V264 VanDerWaalsContact O-CG2 3.25Å; W260-V264 WeakPolarHBondContact O-CG2 3.38Å; W260-V264 PolarHBondContact O-N 3.5Å; T262-V264 VanDerWaalsContact C-N 3.31Å; T262-V264 PolarHBondContact O-N 3.05Å; V264-S267 WeakPolarHBondContact O-CB 3.39Å; V264-S267 PolarHBondContact O-N 3.37Å; V264-L268 HydrophobicContact CG1-CD1 4.29Å; V264-L268 WeakPolarHBondContact O-CG 3.31Å; V264-L268 PolarHBondContact O-N 3.36Å; V264-L310 HydrophobicContact CB-CD2 4.14Å; V264-L310 HydrophobicContact CG1-CD1 4.48Å; V264-L310 HydrophobicContact CG1-CD2 3.86Å
265A91.2Very high90.5Very high0 Ų031.9 Ų31.90%015%0.151CC..Hα-helixtrans-65-43.517700000112.2F261 T262 S267 L268 Q269 L310 V347F261-A265 WeakPolarHBondContact O-CB 3.47Å; F261-A265 PolarHBondContact O-N 3.22Å; T262-A265 PolarHBondContact O-N 3.3Å; T262-A265 VanDerWaalsContact O-N 3.14Å; A265-S267 VanDerWaalsContact C-N 3.33Å; A265-L268 PolarHBondContact O-N 2.99Å; A265-Q269 WeakPolarHBondContact O-CB 3.47Å; A265-Q269 PolarHBondContact O-N 3.04Å; A265-L310 HydrophobicContact CB-CD2 3.87Å; A265-V347 HydrophobicContact CB-CB 4.32Å; A265-V347 HydrophobicContact CB-CG1 3.4Å; A265-V347 HydrophobicContact CB-CG2 3.97Å
266E91.3Very high90.8Very high76 Ų7633.5 Ų33.536%0.35516%0.16SC..Hα-helixtrans-59.2-45.1173.3-71.9171.2168.600110.8T262 L268 Q269 Q270 L349T262-E266 HydrophobicContact CG2-CG 4.24Å; T262-E266 WeakPolarHBondContact O-CB 3.38Å; T262-E266 WeakPolarHBondContact O-CG 3.49Å; T262-E266 PolarHBondContact O-N 3.2Å; E266-L268 PolarHBondContact O-N 3.42Å; E266-Q269 WeakPolarHBondContact O-CB 3.4Å; E266-Q269 PolarHBondContact O-N 3.12Å; E266-Q270 WeakPolarHBondContact O-CG 3.5Å; E266-Q270 PolarHBondContact O-N 3.09Å; E266-L349 HydrophobicContact CG-CD2 3.74Å
267S92.7Very high91.1Very high3 Ų333.2 Ų33.22%0.02116%0.158CC..Hα-helixtrans-60.8-44.9177.2-60.50000112A263 V264 A265 Q269 Q270 V271A263-S267 WeakPolarHBondContact O-CB 3.47Å; A263-S267 PolarHBondContact O-N 3.44Å; A263-S267 PolarHBondContact O-OG 3.06Å; V264-S267 WeakPolarHBondContact O-CB 3.39Å; V264-S267 PolarHBondContact O-N 3.37Å; A265-S267 VanDerWaalsContact C-N 3.33Å; S267-Q269 VanDerWaalsContact C-N 3.3Å; S267-Q269 PolarHBondContact O-N 3.16Å; S267-Q270 PolarHBondContact O-N 2.96Å; S267-V271 WeakPolarHBondContact O-CG2 3.5Å; S267-V271 PolarHBondContact O-N 2.82Å
268L91.4Very high91.3Very high4 Ų433.1 Ų33.12%0.02116%0.157CC..Hα-helixtrans-65.4-33.8175.8-77.8171.6000112.5L219 T222 I226 V264 A265 E266 V271 R272 L306 L307 L310L219-L268 HydrophobicContact CD2-CD2 4.35Å; T222-L268 HydrophobicContact CG2-CD1 4.3Å; T222-L268 HydrophobicContact CG2-CD2 3.76Å; T222-L268 HydrophobicContact CG2-CG 3.92Å; I226-L268 HydrophobicContact CD1-CD1 4.14Å; V264-L268 HydrophobicContact CG1-CD1 4.29Å; V264-L268 WeakPolarHBondContact O-CG 3.31Å; V264-L268 PolarHBondContact O-N 3.36Å; A265-L268 PolarHBondContact O-N 2.99Å; E266-L268 PolarHBondContact O-N 3.42Å; L268-V271 PolarHBondContact O-N 3.28Å; L268-R272 PolarHBondContact O-N 3.03Å; L268-L306 HydrophobicContact CD1-CB 4.28Å; L268-L306 HydrophobicContact CD2-CB 4.12Å; L268-L306 HydrophobicContact CD2-CD1 4.4Å; L268-L307 HydrophobicContact CB-CD1 4.4Å; L268-L307 HydrophobicContact CD1-CB 4.18Å; L268-L307 HydrophobicContact CD1-CD1 4.23Å; L268-L310 HydrophobicContact CD1-CD2 4.26Å
269Q89.3Confident91.3Very high48 Ų4834.1 Ų34.122%0.22416%0.163CC..Hα-helixtrans-69.2-41.2175.3-174.4175.5-5.600111.7A265 E266 S267 R272 Q273 E351A265-Q269 WeakPolarHBondContact O-CB 3.47Å; A265-Q269 PolarHBondContact O-N 3.04Å; E266-Q269 WeakPolarHBondContact O-CB 3.4Å; E266-Q269 PolarHBondContact O-N 3.12Å; S267-Q269 VanDerWaalsContact C-N 3.3Å; S267-Q269 PolarHBondContact O-N 3.16Å; Q269-R272 WeakPolarHBondContact O-CB 3.47Å; Q269-R272 PolarHBondContact O-N 2.82Å; Q269-Q273 PolarHBondContact O-N 3.13Å; Q269-Q273 VanDerWaalsContact O-N 3.1Å; Q269-E351 VanDerWaalsContact NE2-CD 3.29Å; Q269-E351 PolarHBondContact NE2-OE1 3.42Å; Q269-E351 PolarHBondContact NE2-OE2 3.26Å
270Q91.6Very high91.4Very high71 Ų7133 Ų3333%0.33215%0.154SC..Hα-helixtrans-61.8-43.9172-74.8176.5-2200111.1V151 E266 S267 R272 Q273 H274V151-Q270 HydrophobicContact CG1-CB 3.59Å; V151-Q270 HydrophobicContact CG1-CG 4.34Å; E266-Q270 WeakPolarHBondContact O-CG 3.5Å; E266-Q270 PolarHBondContact O-N 3.09Å; S267-Q270 PolarHBondContact O-N 2.96Å; Q270-R272 PolarHBondContact O-N 2.84Å; Q270-Q273 CarbonylContact O-C 3.3Å; Q270-Q273 WeakPolarHBondContact O-CA 3.29Å; Q270-Q273 WeakPolarHBondContact O-CB 3.36Å; Q270-Q273 PolarHBondContact O-N 3.33Å; Q270-H274 PolarHBondContact O-CD2 3.36Å; Q270-H274 VanDerWaalsContact O-CG 3.27Å; Q270-H274 PolarHBondContact O-N 3.16Å
271V92.5Very high91.4Very high1 Ų132.7 Ų32.71%0.00615%0.153CC..Hα-helixtrans-56.6-37.6172.5162.20000112.4L215 L218 L219 S267 L268 Q273 H274 L275 A303L215-V271 HydrophobicContact CD1-CG1 3.93Å; L215-V271 HydrophobicContact CD1-CG2 4.15Å; L218-V271 HydrophobicContact CD2-CG2 3.52Å; L218-V271 HydrophobicContact CG-CG2 4.3Å; L219-V271 HydrophobicContact CD2-CG1 4.05Å; S267-V271 WeakPolarHBondContact O-CG2 3.5Å; S267-V271 PolarHBondContact O-N 2.82Å; L268-V271 PolarHBondContact O-N 3.28Å; V271-Q273 VanDerWaalsContact C-N 3.35Å; V271-H274 WeakPolarHBondContact O-CB 3.47Å; V271-H274 PolarHBondContact O-N 3.41Å; V271-L275 HydrophobicContact CG1-CD1 4.31Å; V271-L275 WeakPolarHBondContact O-CG 3.2Å; V271-L275 PolarHBondContact O-N 3.25Å; V271-A303 HydrophobicContact CG1-CB 4.13Å
272R89.4Confident91.3Very high108 Ų10834.5 Ų34.541%0.40816%0.161SC..Hα-helixtrans-66.1-37173.9-175.1178.9169.7-178.1-3.1112.1L268 Q269 Q270 N276L268-R272 PolarHBondContact O-N 3.03Å; Q269-R272 WeakPolarHBondContact O-CB 3.47Å; Q269-R272 PolarHBondContact O-N 2.82Å; Q270-R272 PolarHBondContact O-N 2.84Å; R272-N276 PolarHBondContact O-N 3.12Å; R272-N276 VanDerWaalsContact O-N 3.08Å; R272-N276 PolarHBondContact O-ND2 3.47Å
273Q90.9Very high91.3Very high110 Ų11041.7 Ų41.751%0.51419%0.194SC..Hα-helixtrans-67.1-41.1173.3-65.5174.7-6.500111.5Q269 Q270 V271 L275 N276 K277Q269-Q273 PolarHBondContact O-N 3.13Å; Q269-Q273 VanDerWaalsContact O-N 3.1Å; Q270-Q273 CarbonylContact O-C 3.3Å; Q270-Q273 WeakPolarHBondContact O-CA 3.29Å; Q270-Q273 WeakPolarHBondContact O-CB 3.36Å; Q270-Q273 PolarHBondContact O-N 3.33Å; V271-Q273 VanDerWaalsContact C-N 3.35Å; Q273-L275 PolarHBondContact O-N 2.83Å; Q273-N276 WeakPolarHBondContact O-CB 3.4Å; Q273-N276 PolarHBondContact O-N 3.21Å; Q273-K277 PolarHBondContact O-N 2.93Å
274H92.6Very high91.2Very high5 Ų545.7 Ų45.72%0.02321%0.211CC..Hα-helixtrans-56.1-49.2173-64.4164.3000111.6M154 D155 L158 Q270 V271 N276 K277 M278M154-H274 VanDerWaalsContact CG-ND1 3.29Å; M154-H274 WeakPolarHBondContact CG-ND1 3.17Å; D155-H274 VanDerWaalsContact CG-NE2 3.32Å; D155-H274 IonicContact OD1-CD2 2.92Å; D155-H274 PolarHBondContact OD1-CD2 2.98Å; D155-H274 IonicContact OD1-CE1 2.97Å; D155-H274 IonicContact OD1-NE2 3.69Å; D155-H274 PolarHBondContact OD1-NE2 3.36Å; D155-H274 IonicContact OD2-NE2 2.78Å; L158-H274 HydrophobicContact CD1-CB 3.48Å; L158-H274 VanDerWaalsContact CD1-CB 3.48Å; Q270-H274 PolarHBondContact O-CD2 3.36Å; Q270-H274 VanDerWaalsContact O-CG 3.27Å; Q270-H274 PolarHBondContact O-N 3.16Å; V271-H274 WeakPolarHBondContact O-CB 3.47Å; V271-H274 PolarHBondContact O-N 3.41Å; H274-N276 PolarHBondContact O-N 3.49Å; H274-K277 PolarHBondContact O-N 3.38Å; H274-K277 VanDerWaalsContact O-N 3.16Å; H274-M278 WeakPolarHBondContact O-CG 3.31Å; H274-M278 PolarHBondContact O-N 2.89Å
275L91.5Very high90.8Very high8 Ų847.4 Ų47.44%0.04222%0.219CC..Hα-helixtrans-58.5-46.4176.3-75.8168.9000111.6L215 V271 Q273 K277 M278 L279 L299 E300 A303L215-L275 HydrophobicContact CD2-CD2 3.51Å; L215-L275 HydrophobicContact CD2-CG 4Å; V271-L275 HydrophobicContact CG1-CD1 4.31Å; V271-L275 WeakPolarHBondContact O-CG 3.2Å; V271-L275 PolarHBondContact O-N 3.25Å; Q273-L275 PolarHBondContact O-N 2.83Å; L275-K277 VanDerWaalsContact C-N 3.31Å; L275-K277 PolarHBondContact O-N 3.5Å; L275-M278 WeakPolarHBondContact O-CB 3.21Å; L275-M278 PolarHBondContact O-N 3.46Å; L275-L279 WeakPolarHBondContact O-CD2 3.47Å; L275-L279 VanDerWaalsContact O-CG 3.25Å; L275-L279 WeakPolarHBondContact O-CG 3.42Å; L275-L279 PolarHBondContact O-N 3.33Å; L275-L299 HydrophobicContact CD2-CB 3.86Å; L275-E300 HydrophobicContact CD1-CB 4.21Å; L275-A303 HydrophobicContact CD1-CB 4.27Å
276N90.6Very high90.8Very high82 Ų8251.2 Ų51.244%0.43924%0.242SC..Hα-helixtrans-59.6-41.4175.9-72.8-23.3000112.1R272 Q273 H274 L279 E280R272-N276 PolarHBondContact O-N 3.12Å; R272-N276 VanDerWaalsContact O-N 3.08Å; R272-N276 PolarHBondContact O-ND2 3.47Å; Q273-N276 WeakPolarHBondContact O-CB 3.4Å; Q273-N276 PolarHBondContact O-N 3.21Å; H274-N276 PolarHBondContact O-N 3.49Å; N276-L279 VanDerWaalsContact O-CB 3.27Å; N276-L279 WeakPolarHBondContact O-CB 3.45Å; N276-L279 PolarHBondContact O-N 3.36Å; N276-E280 PolarHBondContact O-N 2.98Å
277K92.1Very high90.6Very high47 Ų4749.9 Ų49.920%0.20423%0.234CC..Hα-helixtrans-65.9-39.7178.9-171.861.4-179.6-178.90112E162 Q273 H274 L275 L279 E280 L281E162-K277 WeakPolarHBondContact OE1-CE 3.33Å; E162-K277 IonicContact OE1-NZ 3.22Å; E162-K277 PolarHBondContact OE1-NZ 2.88Å; E162-K277 WeakPolarHBondContact OE2-CE 3.28Å; E162-K277 IonicContact OE2-NZ 2.64Å; E162-K277 PolarHBondContact OE2-NZ 3.37Å; Q273-K277 PolarHBondContact O-N 2.93Å; H274-K277 PolarHBondContact O-N 3.38Å; H274-K277 VanDerWaalsContact O-N 3.16Å; L275-K277 VanDerWaalsContact C-N 3.31Å; L275-K277 PolarHBondContact O-N 3.5Å; K277-L279 PolarHBondContact O-N 2.9Å; K277-E280 VanDerWaalsContact CD-OE2 3.32Å; K277-E280 WeakPolarHBondContact CD-OE2 3.39Å; K277-E280 VanDerWaalsContact NZ-CD 3.3Å; K277-E280 IonicContact NZ-OE1 2.83Å; K277-E280 PolarHBondContact NZ-OE1 3.49Å; K277-E280 IonicContact NZ-OE2 2.66Å; K277-E280 PolarHBondContact NZ-OE2 2.98Å; K277-E280 WeakPolarHBondContact O-CB 3.39Å; K277-E280 PolarHBondContact O-N 2.8Å; K277-E280 VanDerWaalsContact O-N 3.14Å; K277-L281 WeakPolarHBondContact O-CG 3.34Å; K277-L281 PolarHBondContact O-N 2.93Å
278M91.2Very high90.2Very high4 Ų458 Ų582%0.0227%0.272CS..Hα-helixtrans-58.2-31.2172-67.4172.170.700112L158 V211 V212 L215 H274 L275 L281 E282 I292L158-M278 HydrophobicContact CD2-CG 3.65Å; L158-M278 HydrophobicContact CD2-SD 4.49Å; V211-M278 HydrophobicContact CG1-CE 3.93Å; V211-M278 HydrophobicContact CG1-CG 4.39Å; V211-M278 HydrophobicContact CG1-SD 3.89Å; V212-M278 HydrophobicContact CG2-CE 3.43Å; V212-M278 VanDerWaalsContact CG2-CE 3.43Å; L215-M278 HydrophobicContact CD2-SD 3.97Å; H274-M278 WeakPolarHBondContact O-CG 3.31Å; H274-M278 PolarHBondContact O-N 2.89Å; L275-M278 WeakPolarHBondContact O-CB 3.21Å; L275-M278 PolarHBondContact O-N 3.46Å; M278-L281 PolarHBondContact O-N 3.39Å; M278-E282 WeakPolarHBondContact O-CB 3.31Å; M278-E282 PolarHBondContact O-N 3.33Å; M278-I292 HydrophobicContact CB-CD1 4.38Å; M278-I292 HydrophobicContact CB-CG2 4.07Å; M278-I292 HydrophobicContact CE-CB 4.5Å; M278-I292 HydrophobicContact CE-CD1 4.24Å; M278-I292 HydrophobicContact CE-CG1 3.83Å; M278-I292 HydrophobicContact CE-CG2 4.27Å
279L88.9Confident89.9Confident28 Ų2863.2 Ų63.215%0.14730%0.3CS..Hα-helixtrans-71-40.5177-48.4-169.9000112.1L275 N276 K277 L281 E282 Q283 K296L275-L279 WeakPolarHBondContact O-CD2 3.47Å; L275-L279 VanDerWaalsContact O-CG 3.25Å; L275-L279 WeakPolarHBondContact O-CG 3.42Å; L275-L279 PolarHBondContact O-N 3.33Å; N276-L279 VanDerWaalsContact O-CB 3.27Å; N276-L279 WeakPolarHBondContact O-CB 3.45Å; N276-L279 PolarHBondContact O-N 3.36Å; K277-L279 PolarHBondContact O-N 2.9Å; L279-L281 VanDerWaalsContact C-N 3.28Å; L279-L281 PolarHBondContact O-N 3.29Å; L279-E282 PolarHBondContact O-N 3.19Å; L279-Q283 WeakPolarHBondContact O-CB 3.16Å; L279-Q283 VanDerWaalsContact O-CG 3.27Å; L279-Q283 WeakPolarHBondContact O-CG 3.16Å; L279-Q283 PolarHBondContact O-N 2.84Å; L279-K296 HydrophobicContact CD2-CD 3.18Å; L279-K296 HydrophobicContact CD2-CG 3.63Å; L279-K296 HydrophobicContact CG-CD 4.44Å
280E92.4Very high89.9Confident77 Ų7761 Ų6136%0.3629%0.289SS..Hα-helixtrans-60.4-43.9175.4-165.6-165.2144.300110.2N276 K277 Q283 K284N276-E280 PolarHBondContact O-N 2.98Å; K277-E280 VanDerWaalsContact CD-OE2 3.32Å; K277-E280 WeakPolarHBondContact CD-OE2 3.39Å; K277-E280 VanDerWaalsContact NZ-CD 3.3Å; K277-E280 IonicContact NZ-OE1 2.83Å; K277-E280 PolarHBondContact NZ-OE1 3.49Å; K277-E280 IonicContact NZ-OE2 2.66Å; K277-E280 PolarHBondContact NZ-OE2 2.98Å; K277-E280 WeakPolarHBondContact O-CB 3.39Å; K277-E280 PolarHBondContact O-N 2.8Å; K277-E280 VanDerWaalsContact O-N 3.14Å; E280-Q283 PolarHBondContact O-N 3.41Å; E280-K284 WeakPolarHBondContact O-CG 3.11Å; E280-K284 PolarHBondContact O-N 3.3Å; E280-K284 VanDerWaalsContact O-N 3.11Å; E280-K284 IonicContact OE1-NZ 3.78Å
281L90.8Very high89.8Confident0 Ų058.1 Ų58.10%028%0.276CS..Hα-helixtrans-65.7-39.4176.8-65.1176.7000112.5L161 E162 Q165 R208 K277 M278 L279 K284 F285L161-L281 HydrophobicContact CD2-CD1 3.87Å; L161-L281 HydrophobicContact CG-CD1 4.07Å; E162-L281 HydrophobicContact CB-CD2 4Å; E162-L281 HydrophobicContact CG-CD2 4.1Å; Q165-L281 PolarHBondContact NE2-O 3.34Å; R208-L281 PolarHBondContact NH2-O 3.14Å; K277-L281 WeakPolarHBondContact O-CG 3.34Å; K277-L281 PolarHBondContact O-N 2.93Å; M278-L281 PolarHBondContact O-N 3.39Å; L279-L281 VanDerWaalsContact C-N 3.28Å; L279-L281 PolarHBondContact O-N 3.29Å; L281-K284 PolarHBondContact O-N 2.9Å; L281-F285 PolarHBondContact O-N 3.5Å
282E91.2Very high89.7Confident37 Ų3758.1 Ų58.117%0.17328%0.276CS..Hα-helixtrans-62.4-41.1173.5-175.8-171.3-174.200111.9M278 L279 F285 I292 S293M278-E282 WeakPolarHBondContact O-CB 3.31Å; M278-E282 PolarHBondContact O-N 3.33Å; L279-E282 PolarHBondContact O-N 3.19Å; E282-F285 CarbonylContact C-O 3.59Å; E282-F285 CarbonylContact O-C 3.4Å; E282-F285 VanDerWaalsContact O-C 3.27Å; E282-F285 PolarHBondContact O-N 3.37Å; E282-F285 VanDerWaalsContact O-O 3.04Å; E282-I292 HydrophobicContact CB-CG2 4.05Å; E282-I292 HydrophobicContact CG-CG2 4.39Å; E282-S293 VanDerWaalsContact OE1-CA 3.29Å; E282-S293 WeakPolarHBondContact OE1-CA 3.22Å; E282-S293 WeakPolarHBondContact OE1-CB 3.43Å; E282-S293 PolarHBondContact OE1-OG 3.42Å
283Q90.6Very high89.6Confident164 Ų16455.2 Ų55.277%0.76627%0.273SS*.Hα-helixtrans-66.1-36.8178.2-75.4173.87.600112.7L279 E280L279-Q283 WeakPolarHBondContact O-CB 3.16Å; L279-Q283 VanDerWaalsContact O-CG 3.27Å; L279-Q283 WeakPolarHBondContact O-CG 3.16Å; L279-Q283 PolarHBondContact O-N 2.84Å; E280-Q283 PolarHBondContact O-N 3.41Å
284K89.1Confident89.5Confident87 Ų8755.3 Ų55.338%0.37827%0.273SS..Hα-helixtrans-69.9-41176-71.4178.4-178.4-176.40111.9Q165 D166 E280 L281Q165-K284 VanDerWaalsContact NE2-CB 3.33Å; D166-K284 IonicContact OD1-NZ 3.18Å; D166-K284 PolarHBondContact OD1-NZ 3.34Å; E280-K284 WeakPolarHBondContact O-CG 3.11Å; E280-K284 PolarHBondContact O-N 3.3Å; E280-K284 VanDerWaalsContact O-N 3.11Å; E280-K284 IonicContact OE1-NZ 3.78Å; L281-K284 PolarHBondContact O-N 2.9Å
285F86.3Confident89.3Confident36 Ų3659.6 Ų59.616%0.15829%0.292CS..  trans-149128.6-176.9177.4-104.5000111.1Q165 Y168 R208 L281 E282 Y287Q165-F285 HydrophobicContact CG-CB 4.49Å; Y168-F285 HydrophobicContact CE1-CD2 4.06Å; Y168-F285 AromaticContact CE1-CE2 3.73Å; Y168-F285 HydrophobicContact CE1-CE2 3.73Å; Y168-F285 HydrophobicContact CE1-CZ 4.13Å; R208-F285 VanDerWaalsContact CZ-O 3.26Å; R208-F285 PolarHBondContact NH1-O 3.28Å; R208-F285 PolarHBondContact NH2-O 3.38Å; L281-F285 PolarHBondContact O-N 3.5Å; E282-F285 CarbonylContact C-O 3.59Å; E282-F285 CarbonylContact O-C 3.4Å; E282-F285 VanDerWaalsContact O-C 3.27Å; E282-F285 PolarHBondContact O-N 3.37Å; E282-F285 VanDerWaalsContact O-O 3.04Å; F285-Y287 HydrophobicContact CD1-CD1 4.38Å; F285-Y287 AromaticContact CE1-CD1 3.69Å; F285-Y287 HydrophobicContact CE1-CD1 3.69Å; F285-Y287 HydrophobicContact CE1-CE1 4.08Å; F285-Y287 HydrophobicContact CZ-CD1 4.17Å
286T89.7Confident89Confident80 Ų8062 Ų6249%0.49130%0.302SS..  trans-143.9165175.2-168.30000111D290T286-D290 PolarHBondContact OG1-OD2 3.04Å
287Y88.4Confident88.8Confident47 Ų4761.3 Ų61.318%0.18430%0.304CS..  trans-155.1168.3-179.456-89.9000111.3K205 F285 N289 D290 P291K205-Y287 HydrophobicContact CD-CD2 4.36Å; K205-Y287 HydrophobicContact CD-CE1 4.38Å; K205-Y287 HydrophobicContact CD-CE2 4.03Å; K205-Y287 HydrophobicContact CG-CD1 4.39Å; K205-Y287 HydrophobicContact CG-CE1 3.73Å; K205-Y287 HydrophobicContact CG-CE2 4.05Å; F285-Y287 HydrophobicContact CD1-CD1 4.38Å; F285-Y287 AromaticContact CE1-CD1 3.69Å; F285-Y287 HydrophobicContact CE1-CD1 3.69Å; F285-Y287 HydrophobicContact CE1-CE1 4.08Å; F285-Y287 HydrophobicContact CZ-CD1 4.17Å; Y287-N289 PolarHBondContact O-N 3.09Å; Y287-D290 HydrophobicContact CD1-CB 4.4Å; Y287-D290 HydrophobicContact CD2-CB 4.32Å; Y287-D290 HydrophobicContact CE1-CB 4.19Å; Y287-D290 HydrophobicContact CE2-CB 4.1Å; Y287-D290 HydrophobicContact CG-CB 4.46Å; Y287-D290 WeakPolarHBondContact O-CB 3.46Å; Y287-D290 PolarHBondContact O-N 3.13Å; Y287-D290 VanDerWaalsContact O-N 3.17Å; Y287-P291 VanDerWaalsContact OH-CD 3.24Å; Y287-P291 WeakPolarHBondContact OH-CD 3.31Å
288E84.2Confident88.7Confident174 Ų17464.8 Ų64.881%0.81332%0.32SS*.THydrogen-bonded Turntrans-61.8125.1177.6-165.6177.5-175.700111.1
289N85.1Confident88.7Confident114 Ų11464.8 Ų64.861%0.6132%0.32SS*.THydrogen-bonded Turntrans65.536.4-173.1-54.7-55.4000115.3Y287 Q294Y287-N289 PolarHBondContact O-N 3.09Å; N289-Q294 PolarHBondContact OD1-NE2 3.14Å
290D89.3Confident88.7Confident1 Ų166.7 Ų66.71%0.00533%0.329CS..  trans-60.8122.9168.1-174.9-10.4000111.5R208 T286 Y287 I292 S293 Q294R208-D290 IonicContact CZ-OD2 3.2Å; R208-D290 IonicContact NH1-OD1 3.72Å; R208-D290 IonicContact NH1-OD2 2.65Å; R208-D290 PolarHBondContact NH1-OD2 3.14Å; T286-D290 PolarHBondContact OG1-OD2 3.04Å; Y287-D290 HydrophobicContact CD1-CB 4.4Å; Y287-D290 HydrophobicContact CD2-CB 4.32Å; Y287-D290 HydrophobicContact CE1-CB 4.19Å; Y287-D290 HydrophobicContact CE2-CB 4.1Å; Y287-D290 HydrophobicContact CG-CB 4.46Å; Y287-D290 WeakPolarHBondContact O-CB 3.46Å; Y287-D290 PolarHBondContact O-N 3.13Å; Y287-D290 VanDerWaalsContact O-N 3.17Å; D290-I292 PolarHBondContact O-N 3.04Å; D290-I292 WeakPolarHBondContact OD1-CB 3.17Å; D290-I292 PolarHBondContact OD1-N 2.84Å; D290-S293 PolarHBondContact O-N 3.2Å; D290-Q294 WeakPolarHBondContact O-CG 3.29Å; D290-Q294 PolarHBondContact O-N 2.5Å; D290-Q294 VanDerWaalsContact O-N 3.12Å
291P89.1Confident88.6Confident10 Ų1067.5 Ų67.57%0.06534%0.336CS..Hα-helixtrans-62.4-26.9179.427.4-36.9000113.1R208 H209 V212 Y287 K295R208-P291 HydrophobicContact CB-CG 4.02Å; H209-P291 HydrophobicContact CB-CG 4.49Å; V212-P291 HydrophobicContact CG2-CB 4.2Å; Y287-P291 VanDerWaalsContact OH-CD 3.24Å; Y287-P291 WeakPolarHBondContact OH-CD 3.31Å; P291-K295 PolarHBondContact O-N 3.33Å; P291-K295 VanDerWaalsContact O-N 3.08Å
292I89.3Confident88.7Confident1 Ų169.8 Ų69.81%0.00534%0.344CS..Hα-helixtrans-66-54.3176.4-59-177.2000108.9R208 V212 M278 E282 D290 Q294 K295 K296R208-I292 HydrophobicContact CB-CD1 4.38Å; R208-I292 HydrophobicContact CB-CG1 4.43Å; R208-I292 HydrophobicContact CG-CD1 3.9Å; R208-I292 HydrophobicContact CG-CG1 4.46Å; V212-I292 HydrophobicContact CG2-CG1 4.09Å; M278-I292 HydrophobicContact CB-CD1 4.38Å; M278-I292 HydrophobicContact CB-CG2 4.07Å; M278-I292 HydrophobicContact CE-CB 4.5Å; M278-I292 HydrophobicContact CE-CD1 4.24Å; M278-I292 HydrophobicContact CE-CG1 3.83Å; M278-I292 HydrophobicContact CE-CG2 4.27Å; E282-I292 HydrophobicContact CB-CG2 4.05Å; E282-I292 HydrophobicContact CG-CG2 4.39Å; D290-I292 PolarHBondContact O-N 3.04Å; D290-I292 WeakPolarHBondContact OD1-CB 3.17Å; D290-I292 PolarHBondContact OD1-N 2.84Å; I292-Q294 VanDerWaalsContact C-N 3.27Å; I292-Q294 PolarHBondContact O-N 3.01Å; I292-K295 PolarHBondContact O-N 3.27Å; I292-K296 WeakPolarHBondContact O-CB 3.14Å; I292-K296 PolarHBondContact O-N 3.07Å
293S88.4Confident88.7Confident48 Ų4868.4 Ų68.434%0.33634%0.339SS..Hα-helixtrans-57.1-40178.6-51.80000112.6E282 D290E282-S293 VanDerWaalsContact OE1-CA 3.29Å; E282-S293 WeakPolarHBondContact OE1-CA 3.22Å; E282-S293 WeakPolarHBondContact OE1-CB 3.43Å; E282-S293 PolarHBondContact OE1-OG 3.42Å; D290-S293 PolarHBondContact O-N 3.2Å
294Q89Confident88.6Confident111 Ų11163.1 Ų63.152%0.51932%0.316SS..Hα-helixtrans-71.7-43.4-177.8-71.7-178.7-14.300113.7N289 D290 I292N289-Q294 PolarHBondContact OD1-NE2 3.14Å; D290-Q294 WeakPolarHBondContact O-CG 3.29Å; D290-Q294 PolarHBondContact O-N 2.5Å; D290-Q294 VanDerWaalsContact O-N 3.12Å; I292-Q294 VanDerWaalsContact C-N 3.27Å; I292-Q294 PolarHBondContact O-N 3.01Å
295K88.2Confident88.6Confident95 Ų9563.1 Ų63.141%0.41332%0.32SS..Hα-helixtrans-104-13.5-169.1-68.7-172.2177.3177.40114.7V212 P291 I292 S297 H298 L299V212-K295 HydrophobicContact CG1-CB 3.87Å; V212-K295 HydrophobicContact CG1-CD 3.53Å; V212-K295 HydrophobicContact CG1-CG 4.24Å; P291-K295 PolarHBondContact O-N 3.33Å; P291-K295 VanDerWaalsContact O-N 3.08Å; I292-K295 PolarHBondContact O-N 3.27Å; K295-S297 PolarHBondContact O-N 3.45Å; K295-H298 PolarHBondContact O-N 3.38Å; K295-L299 HydrophobicContact CB-CD1 4.21Å; K295-L299 WeakPolarHBondContact O-CG 3.42Å; K295-L299 PolarHBondContact O-N 3.2Å
296K84.7Confident88.8Confident58 Ų5862.1 Ų62.125%0.25232%0.316SS..Hα-helixtrans-47.5-58.1-178.4167.9-161.5172.3162.60113.6L279 I292 H298 L299 E300L279-K296 HydrophobicContact CD2-CD 3.18Å; L279-K296 HydrophobicContact CD2-CG 3.63Å; L279-K296 HydrophobicContact CG-CD 4.44Å; I292-K296 WeakPolarHBondContact O-CB 3.14Å; I292-K296 PolarHBondContact O-N 3.07Å; K296-H298 PolarHBondContact O-N 3.25Å; K296-L299 PolarHBondContact O-N 3.12Å; K296-L299 VanDerWaalsContact O-N 3.12Å; K296-E300 WeakPolarHBondContact O-CB 3.11Å; K296-E300 PolarHBondContact O-N 3.25Å
297S87.3Confident88.7Confident69 Ų6960.1 Ų60.148%0.48330%0.302SS..Hα-helixtrans-61.3-35.9-172.759.20000111.9K295 N301K295-S297 PolarHBondContact O-N 3.45Å; S297-N301 WeakPolarHBondContact O-CB 3.33Å; S297-N301 VanDerWaalsContact O-CG 3.28Å; S297-N301 PolarHBondContact O-N 2.66Å; S297-N301 VanDerWaalsContact O-N 3.09Å; S297-N301 PolarHBondContact O-ND2 3.37Å
298H90.4Very high88.6Confident119 Ų11962.8 Ų62.855%0.55132%0.315SS*.Hα-helixtrans-66.9-47.4175.3-179.173.8000111.9K295 K296 N301 R302K295-H298 PolarHBondContact O-N 3.38Å; K296-H298 PolarHBondContact O-N 3.25Å; H298-N301 PolarHBondContact O-N 3.33Å; H298-R302 VanDerWaalsContact O-CB 3.26Å; H298-R302 WeakPolarHBondContact O-CB 3.37Å; H298-R302 PolarHBondContact O-N 3.38Å
299L90.5Very high88.8Confident4 Ų457 Ų572%0.02129%0.29CS..Hα-helixtrans-64.6-39.9179.3-66.9168.2000111.9V212 L215 L219 L275 K295 K296 R302 A303V212-L299 HydrophobicContact CG1-CD1 4.12Å; L215-L299 HydrophobicContact CD2-CD1 3.92Å; L215-L299 HydrophobicContact CG-CD1 4.49Å; L219-L299 HydrophobicContact CD1-CB 4.43Å; L219-L299 HydrophobicContact CD1-CD2 3.76Å; L275-L299 HydrophobicContact CD2-CB 3.86Å; K295-L299 HydrophobicContact CB-CD1 4.21Å; K295-L299 WeakPolarHBondContact O-CG 3.42Å; K295-L299 PolarHBondContact O-N 3.2Å; K296-L299 PolarHBondContact O-N 3.12Å; K296-L299 VanDerWaalsContact O-N 3.12Å; L299-R302 PolarHBondContact O-N 3.17Å; L299-A303 WeakPolarHBondContact O-CB 3.41Å; L299-A303 PolarHBondContact O-N 3.18Å
300E89.8Confident89Confident68 Ų6851.6 Ų51.632%0.31826%0.261SS..Hα-helixtrans-64.2-48.9177-172.5177.7-176.300112L275 K296 R302 A303 L304L275-E300 HydrophobicContact CD1-CB 4.21Å; K296-E300 WeakPolarHBondContact O-CB 3.11Å; K296-E300 PolarHBondContact O-N 3.25Å; E300-R302 VanDerWaalsContact C-N 3.29Å; E300-R302 PolarHBondContact O-N 3.07Å; E300-A303 PolarHBondContact O-N 3.32Å; E300-L304 HydrophobicContact CG-CD1 4.27Å; E300-L304 WeakPolarHBondContact O-CB 3.3Å; E300-L304 VanDerWaalsContact O-CG 3.29Å; E300-L304 WeakPolarHBondContact O-CG 3.43Å; E300-L304 PolarHBondContact O-N 3.01Å
301N89.9Confident88.9Confident95 Ų9553 Ų5351%0.50827%0.268SS..Hα-helixtrans-60-42.5176.3-75.7-34.5000111.4S297 H298 L304 D305S297-N301 WeakPolarHBondContact O-CB 3.33Å; S297-N301 VanDerWaalsContact O-CG 3.28Å; S297-N301 PolarHBondContact O-N 2.66Å; S297-N301 VanDerWaalsContact O-N 3.09Å; S297-N301 PolarHBondContact O-ND2 3.37Å; H298-N301 PolarHBondContact O-N 3.33Å; N301-L304 PolarHBondContact O-N 3.3Å; N301-D305 WeakPolarHBondContact O-CB 3.17Å; N301-D305 PolarHBondContact O-N 2.86Å
302R93.1Very high88.6Confident47 Ų4755.1 Ų55.118%0.17728%0.283CS..Hα-helixtrans-63.6-46178.6-169.3176.3177.8-158.3-3112.1L219 N220 H298 L299 E300 L304 D305 L306L219-R302 HydrophobicContact CD1-CB 4.38Å; L219-R302 HydrophobicContact CD1-CG 4.38Å; N220-R302 PolarHBondContact OD1-NH1 2.88Å; N220-R302 PolarHBondContact OD1-NH2 3.07Å; H298-R302 VanDerWaalsContact O-CB 3.26Å; H298-R302 WeakPolarHBondContact O-CB 3.37Å; H298-R302 PolarHBondContact O-N 3.38Å; L299-R302 PolarHBondContact O-N 3.17Å; E300-R302 VanDerWaalsContact C-N 3.29Å; E300-R302 PolarHBondContact O-N 3.07Å; R302-L304 VanDerWaalsContact C-N 3.34Å; R302-L304 PolarHBondContact O-N 3.41Å; R302-D305 PolarHBondContact O-N 3.45Å; R302-L306 WeakPolarHBondContact O-CG 3.44Å; R302-L306 PolarHBondContact O-N 3.2Å
303A90.2Very high88.4Confident8 Ų856.4 Ų56.47%0.06629%0.292CS..Hα-helixtrans-61.6-42.2175.900000111.8L219 V271 L275 L299 E300 L306 L307L219-A303 HydrophobicContact CD2-CB 4.1Å; V271-A303 HydrophobicContact CG1-CB 4.13Å; L275-A303 HydrophobicContact CD1-CB 4.27Å; L299-A303 WeakPolarHBondContact O-CB 3.41Å; L299-A303 PolarHBondContact O-N 3.18Å; E300-A303 PolarHBondContact O-N 3.32Å; A303-L306 PolarHBondContact O-N 2.9Å; A303-L307 WeakPolarHBondContact O-CB 3.38Å; A303-L307 PolarHBondContact O-N 3.11Å
304L87.8Confident88.4Confident54 Ų5454.1 Ų54.128%0.28328%0.276SS..Hα-helixtrans-63.8-40.7176.8-73.2173.9000112.5E300 N301 R302 L307 K308E300-L304 HydrophobicContact CG-CD1 4.27Å; E300-L304 WeakPolarHBondContact O-CB 3.3Å; E300-L304 VanDerWaalsContact O-CG 3.29Å; E300-L304 WeakPolarHBondContact O-CG 3.43Å; E300-L304 PolarHBondContact O-N 3.01Å; N301-L304 PolarHBondContact O-N 3.3Å; R302-L304 VanDerWaalsContact C-N 3.34Å; R302-L304 PolarHBondContact O-N 3.41Å; L304-L307 PolarHBondContact O-N 3.49Å; L304-K308 WeakPolarHBondContact O-CB 3.37Å; L304-K308 VanDerWaalsContact O-CG 3.27Å; L304-K308 WeakPolarHBondContact O-CG 3.49Å; L304-K308 PolarHBondContact O-N 3.34Å
305D89.1Confident88.3Confident87 Ų8749.3 Ų49.347%0.46525%0.254SS..Hα-helixtrans-71.9-36.9179.9-71.8-18.1000112.1N301 R302 K308 N309N301-D305 WeakPolarHBondContact O-CB 3.17Å; N301-D305 PolarHBondContact O-N 2.86Å; R302-D305 PolarHBondContact O-N 3.45Å; D305-K308 PolarHBondContact O-N 3.37Å; D305-K308 IonicContact OD1-NZ 2.66Å; D305-K308 PolarHBondContact OD1-NZ 2.82Å; D305-N309 WeakPolarHBondContact O-CB 3.35Å; D305-N309 PolarHBondContact O-N 3.17Å
306L91.1Very high88.4Confident14 Ų1445 Ų457%0.07324%0.236CC..Hα-helixtrans-61.4-44.7170.2-69.3178.3000111.5L219 T222 Q223 I226 L268 R302 A303 N309 L310L219-L306 HydrophobicContact CD2-CD1 4.01Å; T222-L306 HydrophobicContact CG2-CD1 4.45Å; Q223-L306 HydrophobicContact CB-CD1 4.29Å; Q223-L306 HydrophobicContact CB-CD2 3.8Å; Q223-L306 HydrophobicContact CG-CD2 3.89Å; I226-L306 HydrophobicContact CD1-CB 3.95Å; I226-L306 HydrophobicContact CD1-CD2 4.19Å; L268-L306 HydrophobicContact CD1-CB 4.28Å; L268-L306 HydrophobicContact CD2-CB 4.12Å; L268-L306 HydrophobicContact CD2-CD1 4.4Å; R302-L306 WeakPolarHBondContact O-CG 3.44Å; R302-L306 PolarHBondContact O-N 3.2Å; A303-L306 PolarHBondContact O-N 2.9Å; L306-N309 PolarHBondContact O-N 2.88Å; L306-L310 WeakPolarHBondContact O-CB 3.44Å; L306-L310 PolarHBondContact O-N 3.19Å
307L87.8Confident88.6Confident38 Ų3842.5 Ų42.520%0.19923%0.225CC..Hα-helixtrans-63.2-45.6176.7-176.963.7000111.5L268 A303 L304 N309 L310 L311L268-L307 HydrophobicContact CB-CD1 4.4Å; L268-L307 HydrophobicContact CD1-CB 4.18Å; L268-L307 HydrophobicContact CD1-CD1 4.23Å; A303-L307 WeakPolarHBondContact O-CB 3.38Å; A303-L307 PolarHBondContact O-N 3.11Å; L304-L307 PolarHBondContact O-N 3.49Å; L307-N309 VanDerWaalsContact C-N 3.32Å; L307-N309 PolarHBondContact O-N 3.38Å; L307-L310 PolarHBondContact O-N 2.82Å; L307-L311 HydrophobicContact CD1-CD1 4.01Å; L307-L311 HydrophobicContact CD1-CD2 4.46Å; L307-L311 HydrophobicContact CD1-CG 4.05Å; L307-L311 HydrophobicContact CD2-CD1 4.44Å; L307-L311 HydrophobicContact CG-CD1 3.79Å; L307-L311 HydrophobicContact CG-CG 4.25Å; L307-L311 WeakPolarHBondContact O-CB 3.38Å; L307-L311 WeakPolarHBondContact O-CG 3.37Å; L307-L311 PolarHBondContact O-N 3Å
308K86.2Confident88.6Confident103 Ų10341.3 Ų41.345%0.44821%0.212SC..Hα-helixtrans-58.8-43.7175.5-73.8170.4-161.1155.10111.6L304 D305 L311 S312L304-K308 WeakPolarHBondContact O-CB 3.37Å; L304-K308 VanDerWaalsContact O-CG 3.27Å; L304-K308 WeakPolarHBondContact O-CG 3.49Å; L304-K308 PolarHBondContact O-N 3.34Å; D305-K308 PolarHBondContact O-N 3.37Å; D305-K308 IonicContact OD1-NZ 2.66Å; D305-K308 PolarHBondContact OD1-NZ 2.82Å; K308-L311 PolarHBondContact O-N 3.48Å; K308-S312 VanDerWaalsContact O-CB 3.29Å; K308-S312 WeakPolarHBondContact O-CB 3.35Å; K308-S312 PolarHBondContact O-N 3.42Å
309N88.8Confident88.5Confident54 Ų5441.6 Ų41.629%0.28921%0.208SC..Hα-helixtrans-62.2-49.4179.5-171.418.8000111.1D305 L306 L307 L311 S312 S313D305-N309 WeakPolarHBondContact O-CB 3.35Å; D305-N309 PolarHBondContact O-N 3.17Å; L306-N309 PolarHBondContact O-N 2.88Å; L307-N309 VanDerWaalsContact C-N 3.32Å; L307-N309 PolarHBondContact O-N 3.38Å; N309-L311 PolarHBondContact O-N 3.47Å; N309-S312 PolarHBondContact O-N 3.3Å; N309-S312 PolarHBondContact O-OG 3.42Å; N309-S313 PolarHBondContact O-N 2.9Å
310L89.6Confident88.5Confident0 Ų042 Ų420%021%0.21CC..Hα-helixtrans-57.5-51.4175.9-176.370.8000111.8I226 F261 V264 A265 L268 L306 L307 S312 S313 S314 V347I226-L310 HydrophobicContact CD1-CB 4.41Å; I226-L310 HydrophobicContact CG1-CD1 4.32Å; F261-L310 HydrophobicContact CD1-CD1 3.46Å; F261-L310 VanDerWaalsContact CD1-CD1 3.46Å; F261-L310 HydrophobicContact CD1-CG 4.14Å; F261-L310 HydrophobicContact CE1-CD1 3.68Å; F261-L310 HydrophobicContact CG-CD1 4.2Å; V264-L310 HydrophobicContact CB-CD2 4.14Å; V264-L310 HydrophobicContact CG1-CD1 4.48Å; V264-L310 HydrophobicContact CG1-CD2 3.86Å; A265-L310 HydrophobicContact CB-CD2 3.87Å; L268-L310 HydrophobicContact CD1-CD2 4.26Å; L306-L310 WeakPolarHBondContact O-CB 3.44Å; L306-L310 PolarHBondContact O-N 3.19Å; L307-L310 PolarHBondContact O-N 2.82Å; L310-S312 VanDerWaalsContact C-N 3.27Å; L310-S312 PolarHBondContact O-N 3.1Å; L310-S313 PolarHBondContact O-N 3.44Å; L310-S314 WeakPolarHBondContact O-CB 3.46Å; L310-S314 PolarHBondContact O-N 2.97Å; L310-S314 VanDerWaalsContact O-N 3.14Å; L310-V347 HydrophobicContact CD2-CG2 4.42Å; L310-V347 HydrophobicContact CG-CG2 4.48Å
311L86.4Confident88.5Confident31 Ų3138.7 Ų38.716%0.16220%0.195CC..Hα-helixtrans-61.8-37.7-179.5-66.1173.2000111L307 K308 N309 S313 S314 F345 V347 F352 L444L307-L311 HydrophobicContact CD1-CD1 4.01Å; L307-L311 HydrophobicContact CD1-CD2 4.46Å; L307-L311 HydrophobicContact CD1-CG 4.05Å; L307-L311 HydrophobicContact CD2-CD1 4.44Å; L307-L311 HydrophobicContact CG-CD1 3.79Å; L307-L311 HydrophobicContact CG-CG 4.25Å; L307-L311 WeakPolarHBondContact O-CB 3.38Å; L307-L311 WeakPolarHBondContact O-CG 3.37Å; L307-L311 PolarHBondContact O-N 3Å; K308-L311 PolarHBondContact O-N 3.48Å; N309-L311 PolarHBondContact O-N 3.47Å; L311-S313 VanDerWaalsContact C-N 3.27Å; L311-S313 PolarHBondContact O-N 2.94Å; L311-S314 WeakPolarHBondContact CA-OG 3.31Å; L311-S314 PolarHBondContact O-N 3.02Å; L311-S314 PolarHBondContact O-OG 2.78Å; L311-F345 HydrophobicContact CD2-CE1 4.16Å; L311-F345 HydrophobicContact CD2-CZ 3.74Å; L311-V347 HydrophobicContact CD2-CB 4.25Å; L311-V347 HydrophobicContact CD2-CG1 4.16Å; L311-V347 HydrophobicContact CD2-CG2 4.15Å; L311-F352 HydrophobicContact CD2-CE2 4.18Å; L311-F352 HydrophobicContact CD2-CZ 4.3Å; L311-L444 WeakPolarHBondContact O-CD1 3.39Å
312S83.7Confident88.6Confident54 Ų5435 Ų3538%0.37818%0.176SC..Hα-helixtrans-62-33.2-179.778.30000114.3K308 N309 L310K308-S312 VanDerWaalsContact O-CB 3.29Å; K308-S312 WeakPolarHBondContact O-CB 3.35Å; K308-S312 PolarHBondContact O-N 3.42Å; N309-S312 PolarHBondContact O-N 3.3Å; N309-S312 PolarHBondContact O-OG 3.42Å; L310-S312 VanDerWaalsContact C-N 3.27Å; L310-S312 PolarHBondContact O-N 3.1Å
313S84.9Confident88.5Confident28 Ų2833 Ų3320%0.19617%0.168CC..Hα-helixtrans-92.7-8.8179.6-63.80000113.4L234 N309 L310 L311L234-S313 WeakPolarHBondContact CD2-O 3.48Å; N309-S313 PolarHBondContact O-N 2.9Å; L310-S313 PolarHBondContact O-N 3.44Å; L311-S313 VanDerWaalsContact C-N 3.27Å; L311-S313 PolarHBondContact O-N 2.94Å
314S88.2Confident88.4Confident0 Ų036.5 Ų36.50%019%0.191CC..Hα-helixtrans-80.6-15.1-174.168.60000115.1L310 L311 V316 F345 L346L310-S314 WeakPolarHBondContact O-CB 3.46Å; L310-S314 PolarHBondContact O-N 2.97Å; L310-S314 VanDerWaalsContact O-N 3.14Å; L311-S314 WeakPolarHBondContact CA-OG 3.31Å; L311-S314 PolarHBondContact O-N 3.02Å; L311-S314 PolarHBondContact O-OG 2.78Å; S314-V316 PolarHBondContact O-N 2.92Å; S314-F345 WeakPolarHBondContact OG-CD2 3.38Å; S314-F345 WeakPolarHBondContact OG-CE2 3.35Å; S314-F345 WeakPolarHBondContact OG-CZ 3.11Å; S314-L346 WeakPolarHBondContact O-CG 3.02Å; S314-L346 PolarHBondContact O-N 3.28Å
315L87.4Confident88.4Confident9 Ų938.4 Ų38.45%0.04721%0.205CC..EExtended strand (participates in β ladder)trans-84.5115176-175.468.2000109.9F345 M385 L434 L444 A446L315-F345 HydrophobicContact CB-CD2 4.22Å; L315-F345 HydrophobicContact CD1-CD2 4.21Å; L315-M385 HydrophobicContact CD1-CE 3.22Å; L315-L434 HydrophobicContact CD2-CB 4.18Å; L315-L444 HydrophobicContact CD2-CB 4.33Å; L315-A446 HydrophobicContact CB-CB 4.2Å; L315-A446 HydrophobicContact CD2-CB 3.68Å; L315-A446 HydrophobicContact CG-CB 3.59Å; L315-A446 WeakPolarHBondContact O-CB 3.16Å
316V89.4Confident88.3Confident5 Ų537.2 Ų37.23%0.0320%0.196CC..EExtended strand (participates in β ladder)trans-127.9155.1-178.3-610000112.1L234 W237 S314 E318 L343 R344 L346L234-V316 HydrophobicContact CD1-CG1 3.86Å; W237-V316 HydrophobicContact CH2-CG2 4.47Å; W237-V316 HydrophobicContact CZ3-CB 4.24Å; W237-V316 HydrophobicContact CZ3-CG1 4.49Å; S314-V316 PolarHBondContact O-N 2.92Å; V316-E318 PolarHBondContact O-N 2.83Å; V316-L343 WeakPolarHBondContact O-CA 3.33Å; V316-R344 HydrophobicContact CG2-CB 4.36Å; V316-R344 PolarHBondContact N-O 3.27Å; V316-R344 PolarHBondContact O-N 3.23Å; V316-L346 HydrophobicContact CG1-CD1 3.99Å; V316-L346 HydrophobicContact CG1-CG 4.34Å; V316-L346 HydrophobicContact CG2-CD1 4.45Å; V316-L346 HydrophobicContact CG2-CD2 3.91Å; V316-L346 HydrophobicContact CG2-CG 4.02Å
317V88.5Confident88Confident6 Ų641 Ų414%0.03622%0.221CC..EExtended strand (participates in β ladder)trans-87.2104.9170-177.40000107Q241 R319 V341 L343Q241-V317 PolarHBondContact NE2-O 3.14Å; Q241-V317 PolarHBondContact OE1-O 2.77Å; V317-R319 WeakPolarHBondContact CG1-O 3.34Å; V317-V341 HydrophobicContact CG1-CG1 4.15Å; V317-L343 HydrophobicContact CB-CD2 4.44Å; V317-L343 HydrophobicContact CG2-CD2 3.76Å
318E88.4Confident87.8Confident44 Ų4442.3 Ų42.321%0.20623%0.227CC..EExtended strand (participates in β ladder)trans-74.3-45.2179.3176.8177.2-135.200111.2Q241 V254 V316 K342 R344Q241-E318 PolarHBondContact NE2-O 3.01Å; V254-E318 HydrophobicContact CG2-CG 4.26Å; V316-E318 PolarHBondContact O-N 2.83Å; E318-K342 PolarHBondContact N-O 3.13Å; E318-K342 WeakPolarHBondContact OE2-CD 3.33Å; E318-K342 WeakPolarHBondContact OE2-CE 3.28Å; E318-K342 IonicContact OE2-NZ 3.19Å; E318-K342 PolarHBondContact OE2-NZ 3.17Å; E318-R344 HydrophobicContact CB-CB 3.87Å; E318-R344 VanDerWaalsContact OE1-CD 3.31Å; E318-R344 WeakPolarHBondContact OE1-CD 3.45Å; E318-R344 IonicContact OE1-CZ 2.76Å; E318-R344 IonicContact OE1-NE 3.97Å; E318-R344 IonicContact OE1-NH1 3.59Å; E318-R344 PolarHBondContact OE1-NH1 3.04Å
319R88.7Confident87.9Confident125 Ų12538.3 Ų38.347%0.47221%0.209SC..EExtended strand (participates in β ladder)trans-117.9113.9174.4-168.6-178.7-68.1158.7-2.4109.5V317 K342 E397V317-R319 WeakPolarHBondContact CG1-O 3.34Å; R319-K342 HydrophobicContact CB-CB 3.63Å; R319-K342 PolarHBondContact N-O 3.12Å; R319-K342 PolarHBondContact O-N 3.29Å; R319-K342 VanDerWaalsContact O-N 3.08Å; R319-E397 IonicContact NH1-OE1 3.7Å; R319-E397 PolarHBondContact NH1-OE1 3.5Å
320Q89.7Confident87.9Confident11 Ų1136.5 Ų36.55%0.05120%0.2CC..EExtended strand (participates in β ladder)trans-61.8155.2178.1-67.3-63.3-1800111.6C322 L331 L449Q320-C322 PolarHBondContact O-N 3.29Å; Q320-C322 VanDerWaalsContact O-N 3.14Å; Q320-L331 HydrophobicContact CB-CD2 3.87Å; Q320-L331 HydrophobicContact CG-CD2 4.37Å; Q320-L449 HydrophobicContact CG-CD1 4.22Å
321P89.8Confident87.8Confident0 Ų036.5 Ų36.50%020%0.2CC..EExtended strand (participates in β ladder)trans-51.5118.7178.7-24.630.7000113.2L331 L333 F339 T340 V341 A448 L451P321-L331 PolarHBondContact O-N 2.82Å; P321-L333 HydrophobicContact CB-CD1 4.14Å; P321-L333 HydrophobicContact CB-CD2 4.15Å; P321-F339 HydrophobicContact CB-CD2 4.2Å; P321-F339 HydrophobicContact CB-CE2 4.39Å; P321-T340 WeakPolarHBondContact CA-O 3.26Å; P321-V341 HydrophobicContact CB-CG2 3.93Å; P321-V341 HydrophobicContact CG-CG2 3.82Å; P321-A448 HydrophobicContact CG-CB 3.9Å; P321-L451 HydrophobicContact CG-CD2 4.45Å
322C91.4Very high88Confident18 Ų1835 Ų3512%0.12219%0.192CC..EExtended strand (participates in β ladder)trans-143.7136.8-176.3-174.10000111.4Q320 P330 F339 T340Q320-C322 PolarHBondContact O-N 3.29Å; Q320-C322 VanDerWaalsContact O-N 3.14Å; C322-P330 HydrophobicContact CB-CB 4.4Å; C322-F339 WeakPolarHBondContact O-CA 3.33Å; C322-F339 WeakPolarHBondContact O-CB 3.39Å; C322-T340 PolarHBondContact N-O 2.9Å; C322-T340 PolarHBondContact O-N 3.25Å; C322-T340 PolarHBondContact O-OG1 2.87Å
323M91.4Very high88.3Confident3 Ų332.5 Ų32.52%0.01518%0.175CC..  trans-82124.7174-63.6-173.2-72.100109.8T325 H326 V332 L333 K334 V337 F339 L460M323-T325 PolarHBondContact O-N 3.29Å; M323-T325 VanDerWaalsContact O-N 3.1Å; M323-H326 HydrophobicContact CE-CB 4.42Å; M323-H326 CarbonylContact O-C 3.53Å; M323-H326 VanDerWaalsContact O-C 3.23Å; M323-H326 PolarHBondContact O-N 2.83Å; M323-V332 WeakPolarHBondContact CE-O 3.39Å; M323-L333 HydrophobicContact CG-CD2 4.16Å; M323-K334 HydrophobicContact CE-CB 4.2Å; M323-K334 HydrophobicContact SD-CB 3.7Å; M323-K334 PolarHBondContact SD-N 3.35Å; M323-V337 HydrophobicContact CG-CG1 4.31Å; M323-V337 HydrophobicContact SD-CB 4.05Å; M323-V337 HydrophobicContact SD-CG1 3.79Å; M323-F339 HydrophobicContact CG-CB 4.11Å; M323-L460 HydrophobicContact CE-CD1 4.26Å
324P89.1Confident88.4Confident83 Ų8334.1 Ų34.154%0.53918%0.178SC..THydrogen-bonded Turntrans-56.5-27176.4-2936.9000114.4H326 Q338 T340P324-H326 VanDerWaalsContact C-N 3.26Å; P324-H326 PolarHBondContact O-N 2.84Å; P324-Q338 WeakPolarHBondContact CD-O 3.26Å; P324-T340 HydrophobicContact CG-CG2 3.82Å
325T87.6Confident88.4Confident93 Ų9335.5 Ų35.557%0.57119%0.187SC*.THydrogen-bonded Turntrans-72.6-18.3176.559.70000113.3M323M323-T325 PolarHBondContact O-N 3.29Å; M323-T325 VanDerWaalsContact O-N 3.1Å
326H85.9Confident88.3Confident63 Ų6337.6 Ų37.629%0.29221%0.211SC..  trans-139.866.3-178-61.3-64.9000111.3M323 P324 Q328 R329M323-H326 HydrophobicContact CE-CB 4.42Å; M323-H326 CarbonylContact O-C 3.53Å; M323-H326 VanDerWaalsContact O-C 3.23Å; M323-H326 PolarHBondContact O-N 2.83Å; P324-H326 VanDerWaalsContact C-N 3.26Å; P324-H326 PolarHBondContact O-N 2.84Å; H326-Q328 PolarHBondContact O-N 2.86Å; H326-R329 PolarHBondContact O-N 2.95Å; H326-R329 VanDerWaalsContact O-N 3.16Å
327P86Confident88.4Confident92 Ų9239 Ų3960%0.59722%0.219SC*.THydrogen-bonded Turntrans-63.8-26.6-174.825.9-34.5000113.5R329P327-R329 PolarHBondContact O-N 3.35Å
328Q82.7Confident88.5Confident66 Ų6642.9 Ų42.931%0.30824%0.237SC..THydrogen-bonded Turntrans-73.3-6.3179.4-67179.5-27.100114.2H326H326-Q328 PolarHBondContact O-N 2.86Å
329R88.1Confident88.6Confident19 Ų1940.9 Ų40.97%0.07223%0.227CC..SBendtrans-132.166.3-173.4-57.6-66.5-179.9-126.57.5110.5H326 P327 L460 W464H326-R329 PolarHBondContact O-N 2.95Å; H326-R329 VanDerWaalsContact O-N 3.16Å; P327-R329 PolarHBondContact O-N 3.35Å; R329-L460 HydrophobicContact CB-CD1 4.35Å; R329-L460 HydrophobicContact CG-CD2 4.36Å; R329-W464 HydrophobicContact CB-CE3 4.19Å
330P88.9Confident88.8Confident17 Ų1735.9 Ų35.911%0.1121%0.21CC..THydrogen-bonded Turntrans-61.1163.3174.228.8-35.9000111.4C245 C322 V332 W464C245-P330 HydrophobicContact CB-CG 4.32Å; C245-P330 WeakPolarHBondContact O-CG 3.29Å; C322-P330 HydrophobicContact CB-CB 4.4Å; P330-V332 PolarHBondContact O-N 3.43Å; P330-W464 HydrophobicContact CG-CH2 4.09Å; P330-W464 HydrophobicContact CG-CZ3 4.01Å; P330-W464 VanDerWaalsContact O-CZ3 3.29Å; P330-W464 WeakPolarHBondContact O-CZ3 3.35Å
331L88.3Confident88.8Confident0 Ų035.3 Ų35.30%021%0.208CC..THydrogen-bonded Turntrans64.6-2.9177.9-52.4172000116.2Q320 P321 L449 L451 V452 I467Q320-L331 HydrophobicContact CB-CD2 3.87Å; Q320-L331 HydrophobicContact CG-CD2 4.37Å; P321-L331 PolarHBondContact O-N 2.82Å; L331-L449 HydrophobicContact CD1-CB 3.69Å; L331-L449 HydrophobicContact CD1-CD1 4.05Å; L331-L449 HydrophobicContact CD2-CB 3.82Å; L331-L449 HydrophobicContact CG-CB 4.42Å; L331-L451 HydrophobicContact CB-CB 4.48Å; L331-L451 CarbonylContact O-C 3.59Å; L331-L451 VanDerWaalsContact O-CA 3.26Å; L331-L451 WeakPolarHBondContact O-CA 3.33Å; L331-L451 WeakPolarHBondContact O-CB 3.15Å; L331-V452 PolarHBondContact O-N 3.46Å; L331-I467 HydrophobicContact CB-CD1 3.71Å; L331-I467 HydrophobicContact CB-CG1 4.06Å; L331-I467 HydrophobicContact CB-CG2 4.08Å; L331-I467 HydrophobicContact CD1-CG2 3.88Å
332V89.9Confident88.8Confident0 Ų036.3 Ų36.30%021%0.212CC..EExtended strand (participates in β ladder)trans-104.1117.1168.7-168.90000108.7M323 P330 V452 I454 L460 W464 I467M323-V332 WeakPolarHBondContact CE-O 3.39Å; P330-V332 PolarHBondContact O-N 3.43Å; V332-V452 CarbonylContact C-O 3.53Å; V332-V452 WeakPolarHBondContact CA-O 3.48Å; V332-I454 HydrophobicContact CG1-CD1 3.9Å; V332-I454 HydrophobicContact CG1-CG1 4.19Å; V332-I454 HydrophobicContact CG1-CG2 3.86Å; V332-L460 HydrophobicContact CB-CD1 4.06Å; V332-L460 HydrophobicContact CG1-CD1 3.76Å; V332-W464 HydrophobicContact CG2-CB 4.45Å; V332-W464 HydrophobicContact CG2-CE3 4.16Å; V332-I467 HydrophobicContact CG2-CG1 3.73Å
333L89.2Confident88.7Confident1 Ų135.5 Ų35.51%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-116.1128.3-175.3-58.3-175.7000110.7P321 M323 F339 L403 L451 V452 V453 I454P321-L333 HydrophobicContact CB-CD1 4.14Å; P321-L333 HydrophobicContact CB-CD2 4.15Å; M323-L333 HydrophobicContact CG-CD2 4.16Å; L333-F339 HydrophobicContact CD1-CD1 4.21Å; L333-F339 HydrophobicContact CD1-CD2 4.09Å; L333-F339 HydrophobicContact CD1-CE1 4.14Å; L333-F339 HydrophobicContact CD1-CE2 4Å; L333-F339 HydrophobicContact CD1-CG 4.19Å; L333-F339 HydrophobicContact CD1-CZ 4.02Å; L333-F339 HydrophobicContact CD2-CB 3.79Å; L333-F339 HydrophobicContact CD2-CD1 4.31Å; L333-F339 HydrophobicContact CD2-CD2 4.08Å; L333-F339 HydrophobicContact CD2-CG 3.8Å; L333-L403 HydrophobicContact CB-CD1 4.26Å; L333-L403 HydrophobicContact CD1-CD1 3.86Å; L333-L451 HydrophobicContact CD1-CD1 4.07Å; L333-L451 HydrophobicContact CD1-CD2 4.26Å; L333-L451 HydrophobicContact CG-CD1 4.5Å; L333-V452 PolarHBondContact N-O 2.74Å; L333-V453 CarbonylContact O-C 3.58Å; L333-V453 VanDerWaalsContact O-CA 3.28Å; L333-V453 WeakPolarHBondContact O-CA 3.44Å; L333-I454 PolarHBondContact O-N 2.88Å
334K88.8Confident88.6Confident61 Ų6135.5 Ų35.527%0.26521%0.207SC..EExtended strand (participates in β ladder)trans-89.8135.1173.5-176.9179.1162.3-164.60110.9M323 V337 I454 V457M323-K334 HydrophobicContact CE-CB 4.2Å; M323-K334 HydrophobicContact SD-CB 3.7Å; M323-K334 PolarHBondContact SD-N 3.35Å; K334-V337 HydrophobicContact CB-CB 4.17Å; K334-V337 HydrophobicContact CB-CG2 3.89Å; K334-V337 HydrophobicContact CD-CG2 3.7Å; K334-V337 HydrophobicContact CG-CG2 3.88Å; K334-V337 PolarHBondContact O-N 3.42Å; K334-I454 CarbonylContact C-O 3.58Å; K334-I454 WeakPolarHBondContact CA-O 3.34Å; K334-I454 HydrophobicContact CB-CD1 4.22Å; K334-I454 HydrophobicContact CB-CG1 3.84Å; K334-I454 HydrophobicContact CG-CG1 4.29Å; K334-V457 HydrophobicContact CD-CG2 3.91Å
335T88.3Confident88.6Confident30 Ų3031.8 Ų31.818%0.18418%0.182CC..THydrogen-bonded Turntrans-59.7138.7173.956.80000111.1V337 F375 L403 V453 I454T335-V337 PolarHBondContact O-N 3.12Å; T335-F375 HydrophobicContact CG2-CD1 4.11Å; T335-F375 HydrophobicContact CG2-CE1 3.76Å; T335-L403 WeakPolarHBondContact CA-O 3.48Å; T335-V453 HydrophobicContact CG2-CG1 3.62Å; T335-I454 PolarHBondContact N-O 2.59Å
336G85.1Confident88.7Confident53 Ų5327.3 Ų27.355%0.54616%0.155SC..THydrogen-bonded Turntrans74.8-6.9-17700000116Q402 L403G336-Q402 PolarHBondContact O-NE2 3.33Å; G336-L403 PolarHBondContact N-O 3.43Å
337V89.8Confident88.8Confident34 Ų3424.3 Ų24.321%0.20614%0.141CC..SBendtrans-94.5142.4176.2-179.80000110.2M323 K334 T335M323-V337 HydrophobicContact CG-CG1 4.31Å; M323-V337 HydrophobicContact SD-CB 4.05Å; M323-V337 HydrophobicContact SD-CG1 3.79Å; K334-V337 HydrophobicContact CB-CB 4.17Å; K334-V337 HydrophobicContact CB-CG2 3.89Å; K334-V337 HydrophobicContact CD-CG2 3.7Å; K334-V337 HydrophobicContact CG-CG2 3.88Å; K334-V337 PolarHBondContact O-N 3.42Å; T335-V337 PolarHBondContact O-N 3.12Å
338Q91.9Very high88.8Confident88 Ų8823.1 Ų23.141%0.41113%0.126SC..EExtended strand (participates in β ladder)trans-73.1140.3175.5-62.9-172.38.900110.7P324 H400 L401 Q402P324-Q338 WeakPolarHBondContact CD-O 3.26Å; Q338-H400 PolarHBondContact OE1-ND1 3.06Å; Q338-L401 CarbonylContact C-O 3.54Å; Q338-L401 VanDerWaalsContact CA-O 3.31Å; Q338-L401 WeakPolarHBondContact CA-O 3.45Å; Q338-Q402 HydrophobicContact CB-CG 4.32Å; Q338-Q402 HydrophobicContact CG-CG 3.65Å
339F91.1Very high88.7Confident2 Ų220.7 Ų20.71%0.00912%0.115CC..EExtended strand (participates in β ladder)trans-135.8161.8173.767.5-85.5000110.9P321 C322 M323 L333 V341 R399 L401 L403 W430P321-F339 HydrophobicContact CB-CD2 4.2Å; P321-F339 HydrophobicContact CB-CE2 4.39Å; C322-F339 WeakPolarHBondContact O-CA 3.33Å; C322-F339 WeakPolarHBondContact O-CB 3.39Å; M323-F339 HydrophobicContact CG-CB 4.11Å; L333-F339 HydrophobicContact CD1-CD1 4.21Å; L333-F339 HydrophobicContact CD1-CD2 4.09Å; L333-F339 HydrophobicContact CD1-CE1 4.14Å; L333-F339 HydrophobicContact CD1-CE2 4Å; L333-F339 HydrophobicContact CD1-CG 4.19Å; L333-F339 HydrophobicContact CD1-CZ 4.02Å; L333-F339 HydrophobicContact CD2-CB 3.79Å; L333-F339 HydrophobicContact CD2-CD1 4.31Å; L333-F339 HydrophobicContact CD2-CD2 4.08Å; L333-F339 HydrophobicContact CD2-CG 3.8Å; F339-V341 HydrophobicContact CD2-CG2 3.97Å; F339-V341 HydrophobicContact CE2-CG2 3.82Å; F339-R399 CarbonylContact O-C 3.49Å; F339-L401 HydrophobicContact CD1-CB 4.15Å; F339-L401 WeakPolarHBondContact CD1-O 3.32Å; F339-L401 HydrophobicContact CD2-CB 4.2Å; F339-L401 HydrophobicContact CE1-CB 3.62Å; F339-L401 WeakPolarHBondContact CE1-O 3.37Å; F339-L401 HydrophobicContact CE2-CB 3.69Å; F339-L401 HydrophobicContact CE2-CD1 3.76Å; F339-L401 HydrophobicContact CE2-CG 4.4Å; F339-L401 HydrophobicContact CG-CB 4.41Å; F339-L401 HydrophobicContact CZ-CB 3.37Å; F339-L401 HydrophobicContact CZ-CD1 4.03Å; F339-L401 HydrophobicContact CZ-CG 4.34Å; F339-L401 PolarHBondContact N-O 2.97Å; F339-L401 PolarHBondContact O-N 3.37Å; F339-L403 HydrophobicContact CE1-CG 3.98Å; F339-L403 HydrophobicContact CZ-CG 4.42Å; F339-W430 HydrophobicContact CE2-CH2 4.32Å; F339-W430 HydrophobicContact CE2-CZ3 4.24Å; F339-W430 HydrophobicContact CZ-CE3 4.33Å; F339-W430 AromaticContact CZ-CH2 3.64Å; F339-W430 HydrophobicContact CZ-CH2 3.64Å; F339-W430 HydrophobicContact CZ-CZ2 4.44Å; F339-W430 AromaticContact CZ-CZ3 3.59Å; F339-W430 HydrophobicContact CZ-CZ3 3.59Å
340T91.2Very high88.3Confident19 Ų1926.9 Ų26.912%0.11714%0.144CC..EExtended strand (participates in β ladder)trans-115.5149.6-178.270.60000112P321 C322 P324 F398 R399P321-T340 WeakPolarHBondContact CA-O 3.26Å; C322-T340 PolarHBondContact N-O 2.9Å; C322-T340 PolarHBondContact O-N 3.25Å; C322-T340 PolarHBondContact O-OG1 2.87Å; P324-T340 HydrophobicContact CG-CG2 3.82Å; T340-F398 CarbonylContact C-O 3.55Å; T340-F398 WeakPolarHBondContact CA-O 3.11Å; T340-F398 WeakPolarHBondContact CB-O 3.37Å; T340-R399 HydrophobicContact CG2-CB 4.32Å; T340-R399 HydrophobicContact CG2-CG 4.48Å
341V90.3Very high87.7Confident0 Ų031 Ų310%016%0.162CC..EExtended strand (participates in β ladder)trans-143.3135.9173.3-175.60000107.6V317 P321 F339 E397 F398 L401 W432V317-V341 HydrophobicContact CG1-CG1 4.15Å; P321-V341 HydrophobicContact CB-CG2 3.93Å; P321-V341 HydrophobicContact CG-CG2 3.82Å; F339-V341 HydrophobicContact CD2-CG2 3.97Å; F339-V341 HydrophobicContact CE2-CG2 3.82Å; V341-E397 CarbonylContact O-C 3.57Å; V341-F398 PolarHBondContact N-O 3.22Å; V341-F398 PolarHBondContact O-N 2.9Å; V341-L401 HydrophobicContact CG2-CD1 4.17Å; V341-W432 HydrophobicContact CB-CZ2 4.15Å; V341-W432 HydrophobicContact CG1-CZ2 4.04Å; V341-W432 HydrophobicContact CG2-CZ2 4.5Å
342K89.6Confident87.2Confident21 Ų2132.3 Ų32.39%0.09117%0.168CC..EExtended strand (participates in β ladder)trans-117.8123.2172.9-167.4176.7177.4-168.60110.1E318 R319 E388 E397E318-K342 PolarHBondContact N-O 3.13Å; E318-K342 WeakPolarHBondContact OE2-CD 3.33Å; E318-K342 WeakPolarHBondContact OE2-CE 3.28Å; E318-K342 IonicContact OE2-NZ 3.19Å; E318-K342 PolarHBondContact OE2-NZ 3.17Å; R319-K342 HydrophobicContact CB-CB 3.63Å; R319-K342 PolarHBondContact N-O 3.12Å; R319-K342 PolarHBondContact O-N 3.29Å; R319-K342 VanDerWaalsContact O-N 3.08Å; K342-E388 WeakPolarHBondContact CE-OE1 3.36Å; K342-E388 WeakPolarHBondContact CE-OE2 3.19Å; K342-E388 IonicContact NZ-OE1 2.75Å; K342-E388 PolarHBondContact NZ-OE1 2.79Å; K342-E388 IonicContact NZ-OE2 2.79Å; K342-E388 PolarHBondContact NZ-OE2 3.19Å; K342-E397 HydrophobicContact CB-CG 4.3Å; K342-E397 HydrophobicContact CG-CB 4.16Å; K342-E397 HydrophobicContact CG-CG 4.38Å
343L88.8Confident86.7Confident0 Ų034.4 Ų34.40%018%0.179CC..EExtended strand (participates in β ladder)trans-100.2146.3171.3-68.5158.5000109.4V316 V317 V358 M385 A395 A396 F398 W432 A446V316-L343 WeakPolarHBondContact O-CA 3.33Å; V317-L343 HydrophobicContact CB-CD2 4.44Å; V317-L343 HydrophobicContact CG2-CD2 3.76Å; L343-V358 HydrophobicContact CD1-CB 4.41Å; L343-V358 HydrophobicContact CD1-CG1 3.44Å; L343-V358 VanDerWaalsContact CD1-CG1 3.44Å; L343-M385 HydrophobicContact CB-CE 4.22Å; L343-A395 CarbonylContact O-C 3.51Å; L343-A395 WeakPolarHBondContact O-CA 3.39Å; L343-A395 VanDerWaalsContact O-CB 3.31Å; L343-A395 WeakPolarHBondContact O-CB 3.43Å; L343-A396 PolarHBondContact N-O 3.29Å; L343-A396 PolarHBondContact O-N 3.07Å; L343-F398 HydrophobicContact CD1-CD2 4.43Å; L343-F398 HydrophobicContact CD1-CE2 3.84Å; L343-W432 HydrophobicContact CD1-CB 3.91Å; L343-W432 HydrophobicContact CD1-CD2 3.18Å; L343-W432 HydrophobicContact CD1-CE3 3.51Å; L343-W432 HydrophobicContact CD1-CG 3.39Å; L343-W432 HydrophobicContact CD1-CH2 4.41Å; L343-W432 HydrophobicContact CD1-CZ2 4.15Å; L343-W432 HydrophobicContact CD1-CZ3 4.12Å; L343-W432 HydrophobicContact CD2-CB 4.2Å; L343-W432 HydrophobicContact CD2-CD2 4.34Å; L343-W432 HydrophobicContact CD2-CG 3.78Å; L343-W432 HydrophobicContact CG-CD2 4.17Å; L343-W432 HydrophobicContact CG-CG 4.11Å; L343-A446 HydrophobicContact CD2-CB 4.41Å
344R89.6Confident86.2Confident4 Ų441.7 Ų41.72%0.01521%0.208CC..EExtended strand (participates in β ladder)trans-132.9141.2175.4-171.8166.2179.1173.2-2109.4D255 Q258 V316 E318D255-R344 IonicContact OD1-CZ 2.77Å; D255-R344 VanDerWaalsContact OD1-CZ 3.3Å; D255-R344 IonicContact OD1-NH1 2.66Å; D255-R344 PolarHBondContact OD1-NH1 2.99Å; D255-R344 IonicContact OD1-NH2 2.7Å; D255-R344 PolarHBondContact OD1-NH2 2.9Å; Q258-R344 VanDerWaalsContact CD-NH2 3.26Å; V316-R344 HydrophobicContact CG2-CB 4.36Å; V316-R344 PolarHBondContact N-O 3.27Å; V316-R344 PolarHBondContact O-N 3.23Å; E318-R344 HydrophobicContact CB-CB 3.87Å; E318-R344 VanDerWaalsContact OE1-CD 3.31Å; E318-R344 WeakPolarHBondContact OE1-CD 3.45Å; E318-R344 IonicContact OE1-CZ 2.76Å; E318-R344 IonicContact OE1-NE 3.97Å; E318-R344 IonicContact OE1-NH1 3.59Å; E318-R344 PolarHBondContact OE1-NH1 3.04Å
345F89.5Confident85.7Confident4 Ų442.3 Ų42.32%0.01821%0.212CC..EExtended strand (participates in β ladder)trans-102.4117.8172.4-164.9-114.1000107.9L311 S314 L315 V347 F352 L356 M385 L394 L434 L444L311-F345 HydrophobicContact CD2-CE1 4.16Å; L311-F345 HydrophobicContact CD2-CZ 3.74Å; S314-F345 WeakPolarHBondContact OG-CD2 3.38Å; S314-F345 WeakPolarHBondContact OG-CE2 3.35Å; S314-F345 WeakPolarHBondContact OG-CZ 3.11Å; L315-F345 HydrophobicContact CB-CD2 4.22Å; L315-F345 HydrophobicContact CD1-CD2 4.21Å; F345-V347 HydrophobicContact CD1-CB 4.06Å; F345-V347 WeakPolarHBondContact CD1-O 3.2Å; F345-V347 HydrophobicContact CE1-CB 3.66Å; F345-V347 HydrophobicContact CE1-CG1 4.26Å; F345-V347 HydrophobicContact CZ-CB 4.35Å; F345-V347 PolarHBondContact O-N 3.32Å; F345-F352 HydrophobicContact CD1-CD2 4.5Å; F345-F352 AromaticContact CE1-CD2 3.87Å; F345-F352 HydrophobicContact CE1-CD2 3.87Å; F345-F352 AromaticContact CE1-CE2 3.98Å; F345-F352 HydrophobicContact CE1-CE2 3.98Å; F345-L356 HydrophobicContact CD1-CD1 4.08Å; F345-L356 HydrophobicContact CE1-CD1 4.2Å; F345-L356 HydrophobicContact CG-CD1 4.35Å; F345-M385 HydrophobicContact CB-CE 4.32Å; F345-M385 HydrophobicContact CB-SD 3.89Å; F345-L394 HydrophobicContact CB-CB 4.37Å; F345-L394 HydrophobicContact CB-CD2 4.17Å; F345-L394 HydrophobicContact CB-CG 4.36Å; F345-L394 HydrophobicContact CD1-CD2 3.86Å; F345-L394 HydrophobicContact CG-CD2 4.4Å; F345-L394 PolarHBondContact N-O 3.49Å; F345-L434 HydrophobicContact CD2-CD2 4.4Å; F345-L434 HydrophobicContact CE2-CD2 4.16Å; F345-L444 HydrophobicContact CE2-CD1 3.69Å; F345-L444 HydrophobicContact CZ-CD1 4.3Å
346L89.6Confident85.3Confident0 Ų041.1 Ų41.10%020%0.204CC..SBendtrans-69.6-17.3-173.3-63.3178.9000113.2L234 V254 L257 Q258 F261 T262 S314 V316L234-L346 HydrophobicContact CD1-CD1 4.15Å; V254-L346 HydrophobicContact CG1-CD2 3.21Å; L257-L346 HydrophobicContact CB-CD2 4.43Å; Q258-L346 WeakPolarHBondContact CA-O 3.22Å; Q258-L346 WeakPolarHBondContact CG-O 3.42Å; F261-L346 HydrophobicContact CB-CB 3.82Å; F261-L346 HydrophobicContact CD1-CB 4.02Å; F261-L346 HydrophobicContact CD1-CD1 4.23Å; F261-L346 HydrophobicContact CD2-CB 4.38Å; F261-L346 HydrophobicContact CD2-CD1 4Å; F261-L346 HydrophobicContact CE1-CD1 4.2Å; F261-L346 HydrophobicContact CE2-CD1 3.95Å; F261-L346 HydrophobicContact CG-CB 3.82Å; F261-L346 HydrophobicContact CG-CD1 4.13Å; F261-L346 HydrophobicContact CZ-CD1 4.05Å; T262-L346 PolarHBondContact OG1-O 3.37Å; T262-L346 VanDerWaalsContact OG1-O 3.13Å; S314-L346 WeakPolarHBondContact O-CG 3.02Å; S314-L346 PolarHBondContact O-N 3.28Å; V316-L346 HydrophobicContact CG1-CD1 3.99Å; V316-L346 HydrophobicContact CG1-CG 4.34Å; V316-L346 HydrophobicContact CG2-CD1 4.45Å; V316-L346 HydrophobicContact CG2-CD2 3.91Å; V316-L346 HydrophobicContact CG2-CG 4.02Å
347V87.8Confident85.1Confident0 Ų042.6 Ų42.60%020%0.195CC..  trans-95.2106.5177.2172.50000109.6F261 A265 L310 L311 F345 L349 F352F261-V347 HydrophobicContact CB-CG2 4.16Å; F261-V347 HydrophobicContact CD1-CG2 4.41Å; A265-V347 HydrophobicContact CB-CB 4.32Å; A265-V347 HydrophobicContact CB-CG1 3.4Å; A265-V347 HydrophobicContact CB-CG2 3.97Å; L310-V347 HydrophobicContact CD2-CG2 4.42Å; L310-V347 HydrophobicContact CG-CG2 4.48Å; L311-V347 HydrophobicContact CD2-CB 4.25Å; L311-V347 HydrophobicContact CD2-CG1 4.16Å; L311-V347 HydrophobicContact CD2-CG2 4.15Å; F345-V347 HydrophobicContact CD1-CB 4.06Å; F345-V347 WeakPolarHBondContact CD1-O 3.2Å; F345-V347 HydrophobicContact CE1-CB 3.66Å; F345-V347 HydrophobicContact CE1-CG1 4.26Å; F345-V347 HydrophobicContact CZ-CB 4.35Å; F345-V347 PolarHBondContact O-N 3.32Å; V347-L349 HydrophobicContact CG1-CD1 3.99Å; V347-L349 HydrophobicContact CG1-CG 3.85Å; V347-L349 PolarHBondContact O-N 2.91Å; V347-F352 HydrophobicContact CG1-CE2 4.08Å
348K85.9Confident84.7Confident66 Ų6641 Ų4129%0.28719%0.186SC..  trans-9389.4-179.5-177.6-170.4167.8171.60110.5T262 M387 G392T262-K348 HydrophobicContact CG2-CB 4.02Å; T262-K348 VanDerWaalsContact CG2-O 3.31Å; T262-K348 WeakPolarHBondContact CG2-O 3.49Å; T262-K348 WeakPolarHBondContact OG1-CB 3.48Å; T262-K348 PolarHBondContact OG1-N 3.12Å; K348-M387 HydrophobicContact CG-CE 3.88Å; K348-G392 WeakPolarHBondContact CD-O 3.27Å; K348-G392 WeakPolarHBondContact CE-O 3.3Å; K348-G392 PolarHBondContact NZ-O 3.29Å; K348-G392 VanDerWaalsContact NZ-O 3.16Å
349L82Confident84.2Confident16 Ų1641.9 Ų41.98%0.08419%0.188CC..  trans-114.6136.3169.7-60.7176.7000110.4E266 V347 E351 F352E266-L349 HydrophobicContact CG-CD2 3.74Å; V347-L349 HydrophobicContact CG1-CD1 3.99Å; V347-L349 HydrophobicContact CG1-CG 3.85Å; V347-L349 PolarHBondContact O-N 2.91Å; L349-E351 PolarHBondContact O-N 3.11Å; L349-F352 HydrophobicContact CB-CD2 3.79Å; L349-F352 HydrophobicContact CB-CE2 4.08Å; L349-F352 HydrophobicContact CD1-CD2 4.28Å; L349-F352 HydrophobicContact CD1-CE2 3.69Å; L349-F352 HydrophobicContact CD1-CZ 4.32Å; L349-F352 HydrophobicContact CG-CD2 4.35Å; L349-F352 HydrophobicContact CG-CE2 4.2Å; L349-F352 PolarHBondContact O-N 2.91Å; L349-F352 VanDerWaalsContact O-N 3.11Å
350H77.9Confident83.6Confident148 Ų14842 Ų4269%0.68519%0.189SC*.G310 helixtrans-58.8-30.8178.3-78.6-72.6000112.7F352 N353H350-F352 PolarHBondContact O-N 3.11Å; H350-N353 VanDerWaalsContact O-CB 3.28Å; H350-N353 WeakPolarHBondContact O-CB 3.32Å; H350-N353 PolarHBondContact O-N 2.76Å; H350-N353 VanDerWaalsContact O-N 3.12Å
351E77Confident82.8Confident103 Ų10342 Ų4248%0.48119%0.19SC..G310 helixtrans-60.4-28.3178.1-63.2166.4175.600113Q269 L349 Q355Q269-E351 VanDerWaalsContact NE2-CD 3.29Å; Q269-E351 PolarHBondContact NE2-OE1 3.42Å; Q269-E351 PolarHBondContact NE2-OE2 3.26Å; L349-E351 PolarHBondContact O-N 3.11Å; E351-Q355 WeakPolarHBondContact O-CG 2.92Å; E351-Q355 PolarHBondContact O-NE2 3.37Å; E351-Q355 PolarHBondContact O-OE1 3.43Å
352F77.3Confident82Confident28 Ų2843 Ų4312%0.12319%0.194CC..G310 helixtrans-85.5-9.1-179.8-66.4-42000113.9L311 F345 V347 L349 H350 Y354 Q355 L356 L394L311-F352 HydrophobicContact CD2-CE2 4.18Å; L311-F352 HydrophobicContact CD2-CZ 4.3Å; F345-F352 HydrophobicContact CD1-CD2 4.5Å; F345-F352 AromaticContact CE1-CD2 3.87Å; F345-F352 HydrophobicContact CE1-CD2 3.87Å; F345-F352 AromaticContact CE1-CE2 3.98Å; F345-F352 HydrophobicContact CE1-CE2 3.98Å; V347-F352 HydrophobicContact CG1-CE2 4.08Å; L349-F352 HydrophobicContact CB-CD2 3.79Å; L349-F352 HydrophobicContact CB-CE2 4.08Å; L349-F352 HydrophobicContact CD1-CD2 4.28Å; L349-F352 HydrophobicContact CD1-CE2 3.69Å; L349-F352 HydrophobicContact CD1-CZ 4.32Å; L349-F352 HydrophobicContact CG-CD2 4.35Å; L349-F352 HydrophobicContact CG-CE2 4.2Å; L349-F352 PolarHBondContact O-N 2.91Å; L349-F352 VanDerWaalsContact O-N 3.11Å; H350-F352 PolarHBondContact O-N 3.11Å; F352-Y354 PolarHBondContact O-N 3.33Å; F352-Q355 PolarHBondContact O-N 2.96Å; F352-Q355 VanDerWaalsContact O-N 3.12Å; F352-L356 HydrophobicContact CB-CD1 3.75Å; F352-L356 HydrophobicContact CB-CG 4.06Å; F352-L356 HydrophobicContact CD1-CD1 4.49Å; F352-L356 HydrophobicContact CD1-CD2 4.34Å; F352-L356 HydrophobicContact CD1-CG 4.48Å; F352-L356 HydrophobicContact CG-CD1 4.1Å; F352-L356 HydrophobicContact CG-CG 4.47Å; F352-L394 HydrophobicContact CB-CD2 3.75Å
353N80.1Confident80.9Confident45 Ų4543.8 Ų43.824%0.24120%0.199CC..THydrogen-bonded Turntrans-61.4127.5-177.6-16420.3000110.4H350 Q355 M387H350-N353 VanDerWaalsContact O-CB 3.28Å; H350-N353 WeakPolarHBondContact O-CB 3.32Å; H350-N353 PolarHBondContact O-N 2.76Å; H350-N353 VanDerWaalsContact O-N 3.12Å; N353-Q355 PolarHBondContact O-N 3Å; N353-M387 PolarHBondContact OD1-N 3.22Å
354Y78.3Confident79.4Confident154 Ų15450 Ų5060%0.60423%0.226SC*.THydrogen-bonded Turntrans60.10.3-174.9-56.8-74000117.2F352 V384 M385 N386F352-Y354 PolarHBondContact O-N 3.33Å; Y354-V384 HydrophobicContact CD1-CG1 4.31Å; Y354-V384 WeakPolarHBondContact O-CG1 3.32Å; Y354-M385 PolarHBondContact N-O 3.44Å; Y354-N386 HydrophobicContact CD1-CB 4.33Å; Y354-N386 HydrophobicContact CE1-CB 3.72Å
355Q79.3Confident77.8Confident74 Ų7453.9 Ų53.935%0.34625%0.247SC..THydrogen-bonded Turntrans-87.5-27.7178.6-60.1-159.38.400112.7E351 F352 N353 K357 S438E351-Q355 WeakPolarHBondContact O-CG 2.92Å; E351-Q355 PolarHBondContact O-NE2 3.37Å; E351-Q355 PolarHBondContact O-OE1 3.43Å; F352-Q355 PolarHBondContact O-N 2.96Å; F352-Q355 VanDerWaalsContact O-N 3.12Å; N353-Q355 PolarHBondContact O-N 3Å; Q355-K357 PolarHBondContact O-N 2.78Å; Q355-S438 PolarHBondContact OE1-OG 3.46Å
356L79.8Confident76.3Confident5 Ų555.3 Ų55.33%0.02626%0.256CS..EExtended strand (participates in β ladder)trans-89.9107.4-172.5-65.8-176.8000111.2F345 F352 V384 M385 L394 L434 N436F345-L356 HydrophobicContact CD1-CD1 4.08Å; F345-L356 HydrophobicContact CE1-CD1 4.2Å; F345-L356 HydrophobicContact CG-CD1 4.35Å; F352-L356 HydrophobicContact CB-CD1 3.75Å; F352-L356 HydrophobicContact CB-CG 4.06Å; F352-L356 HydrophobicContact CD1-CD1 4.49Å; F352-L356 HydrophobicContact CD1-CD2 4.34Å; F352-L356 HydrophobicContact CD1-CG 4.48Å; F352-L356 HydrophobicContact CG-CD1 4.1Å; F352-L356 HydrophobicContact CG-CG 4.47Å; L356-V384 WeakPolarHBondContact O-CA 3.46Å; L356-M385 HydrophobicContact CB-CB 4.15Å; L356-M385 HydrophobicContact CB-CG 4.37Å; L356-M385 HydrophobicContact CB-SD 4.17Å; L356-M385 HydrophobicContact CD1-SD 4.1Å; L356-M385 PolarHBondContact O-N 3.33Å; L356-L394 HydrophobicContact CD1-CD2 3.78Å; L356-L434 HydrophobicContact CB-CD1 3.64Å; L356-L434 HydrophobicContact CB-CD2 4.35Å; L356-L434 HydrophobicContact CB-CG 4.31Å; L356-L434 HydrophobicContact CD1-CD2 3.99Å; L356-L434 HydrophobicContact CD2-CD1 4.4Å; L356-L434 HydrophobicContact CD2-CD2 3.78Å; L356-L434 HydrophobicContact CD2-CG 4.14Å; L356-L434 HydrophobicContact CG-CD1 4.42Å; L356-L434 HydrophobicContact CG-CD2 4.23Å; L356-N436 HydrophobicContact CD2-CB 4.31Å
357K81.3Confident74.4Confident83 Ų8360 Ų6036%0.36129%0.285SS..EExtended strand (participates in β ladder)trans-96.1123.7173.5-170.9173.7-179.3174.40110.3Q355 T382 V384 T435Q355-K357 PolarHBondContact O-N 2.78Å; K357-T382 VanDerWaalsContact CE-CB 3.46Å; K357-T382 WeakPolarHBondContact CE-OG1 3.22Å; K357-V384 HydrophobicContact CG-CG2 4.41Å; K357-T435 PolarHBondContact N-O 3.25Å; K357-T435 PolarHBondContact O-N 3.32Å; K357-T435 PolarHBondContact O-OG1 3.03Å
358V81.3Confident72.4Confident0 Ų068.3 Ų68.30%032%0.324CS..EExtended strand (participates in β ladder)trans-100.7132.7176.7-161.40000109.7L343 T382 K383 M385 A396 F398 W432 I433 L434L343-V358 HydrophobicContact CD1-CB 4.41Å; L343-V358 HydrophobicContact CD1-CG1 3.44Å; L343-V358 VanDerWaalsContact CD1-CG1 3.44Å; V358-T382 CarbonylContact O-C 3.43Å; V358-T382 VanDerWaalsContact O-CA 3.23Å; V358-T382 WeakPolarHBondContact O-CA 3.31Å; V358-K383 PolarHBondContact N-O 2.92Å; V358-K383 PolarHBondContact O-N 3.39Å; V358-M385 HydrophobicContact CG2-CE 3.52Å; V358-M385 HydrophobicContact CG2-CG 3.61Å; V358-M385 HydrophobicContact CG2-SD 4.13Å; V358-A396 HydrophobicContact CG2-CB 3.93Å; V358-F398 HydrophobicContact CB-CZ 4.21Å; V358-F398 HydrophobicContact CG1-CZ 4.5Å; V358-W432 HydrophobicContact CB-CE3 4.38Å; V358-W432 HydrophobicContact CG1-CB 3.92Å; V358-W432 HydrophobicContact CG1-CD2 4.04Å; V358-W432 HydrophobicContact CG1-CE3 3.36Å; V358-W432 HydrophobicContact CG1-CG 4.32Å; V358-W432 HydrophobicContact CG1-CZ3 4.14Å; V358-I433 WeakPolarHBondContact CA-O 3.47Å; V358-L434 HydrophobicContact CB-CD1 4.45Å; V358-L434 HydrophobicContact CG2-CD1 3.72Å
359K80.9Confident70.7Confident107 Ų10770.4 Ų70.447%0.46533%0.333SS..EExtended strand (participates in β ladder)trans-115.1129.1171.8-174.8169.2-177.41780111.6V361 N381 T382 W432 I433K359-V361 HydrophobicContact CG-CG2 4.3Å; K359-N381 CarbonylContact C-O 3.27Å; K359-N381 WeakPolarHBondContact CA-O 3.49Å; K359-T382 HydrophobicContact CB-CG2 3.85Å; K359-T382 HydrophobicContact CD-CG2 4.05Å; K359-T382 HydrophobicContact CG-CG2 3.68Å; K359-W432 VanDerWaalsContact C-CE3 3.48Å; K359-W432 WeakPolarHBondContact O-CA 3.33Å; K359-I433 PolarHBondContact N-O 2.93Å; K359-I433 PolarHBondContact O-N 3.13Å
360A78.6Confident69.1Low4 Ų480 Ų803%0.03337%0.374CS..EExtended strand (participates in β ladder)trans-78.3130.4174.900000110.3I377 N381 W430 W432A360-I377 HydrophobicContact CB-CD1 4.13Å; A360-N381 HydrophobicContact CB-CB 4.4Å; A360-N381 WeakPolarHBondContact CB-O 3.29Å; A360-N381 PolarHBondContact N-O 3.49Å; A360-W430 HydrophobicContact CB-CZ2 3.6Å; A360-W432 HydrophobicContact CB-CD2 4.45Å; A360-W432 HydrophobicContact CB-CE3 3.75Å; A360-W432 HydrophobicContact CB-CH2 3.24Å; A360-W432 HydrophobicContact CB-CZ2 4.03Å; A360-W432 HydrophobicContact CB-CZ3 3.08Å; A360-W432 VanDerWaalsContact N-CZ3 3.27Å
361V74.8Confident68Low20 Ų2075.8 Ų75.812%0.12137%0.371CS..EExtended strand (participates in β ladder)trans-138.4129.1-179.7-175.40000109.5K359 K364 N431 I433K359-V361 HydrophobicContact CG-CG2 4.3Å; V361-K364 HydrophobicContact CG1-CB 3.28Å; V361-K364 HydrophobicContact CG1-CD 3.62Å; V361-K364 HydrophobicContact CG1-CG 4.05Å; V361-N431 PolarHBondContact N-O 2.98Å; V361-N431 PolarHBondContact O-N 3.18Å; V361-N431 VanDerWaalsContact O-O 3.1Å; V361-I433 HydrophobicContact CG2-CD1 4.23Å
362F73Confident67.3Low21 Ų2174.2 Ų74.29%0.09236%0.362CS..EExtended strand (participates in β ladder)trans-105.3131.9176.9-159-109.6000110.1K364 F375 I377 L403 N428 W430 L451 V453F362-K364 PolarHBondContact O-N 3.03Å; F362-F375 HydrophobicContact CD1-CB 3.92Å; F362-F375 HydrophobicContact CE1-CB 3.68Å; F362-F375 AromaticContact CE1-CD2 3.75Å; F362-F375 HydrophobicContact CE1-CD2 3.75Å; F362-F375 HydrophobicContact CE1-CG 4.1Å; F362-F375 HydrophobicContact CZ-CD2 4.44Å; F362-I377 HydrophobicContact CB-CD1 3.83Å; F362-I377 HydrophobicContact CB-CG1 3.82Å; F362-L403 HydrophobicContact CD1-CD2 4.44Å; F362-L403 HydrophobicContact CD2-CD2 4.36Å; F362-L403 HydrophobicContact CE1-CD2 4.49Å; F362-L403 HydrophobicContact CE2-CD1 4.2Å; F362-L403 HydrophobicContact CE2-CD2 4.31Å; F362-L403 HydrophobicContact CG-CD2 4.35Å; F362-L403 HydrophobicContact CZ-CD1 4.09Å; F362-L403 HydrophobicContact CZ-CD2 4.37Å; F362-N428 HydrophobicContact CE1-CB 3.91Å; F362-N428 HydrophobicContact CE2-CB 3.93Å; F362-N428 HydrophobicContact CZ-CB 3.33Å; F362-W430 HydrophobicContact CB-CE3 4.49Å; F362-W430 HydrophobicContact CB-CZ3 4.33Å; F362-W430 AromaticContact CD2-CD2 3.96Å; F362-W430 HydrophobicContact CD2-CD2 3.96Å; F362-W430 AromaticContact CD2-CE3 3.1Å; F362-W430 HydrophobicContact CD2-CE3 3.1Å; F362-W430 HydrophobicContact CD2-CH2 4.44Å; F362-W430 AromaticContact CD2-CZ3 3.35Å; F362-W430 HydrophobicContact CD2-CZ3 3.35Å; F362-W430 AromaticContact CE2-CE3 3.53Å; F362-W430 HydrophobicContact CE2-CE3 3.53Å; F362-W430 AromaticContact CE2-CZ3 3.84Å; F362-W430 HydrophobicContact CE2-CZ3 3.84Å; F362-W430 HydrophobicContact CG-CE3 4.19Å; F362-W430 HydrophobicContact CG-CZ3 4.14Å; F362-L451 HydrophobicContact CE2-CD1 4.02Å; F362-L451 HydrophobicContact CE2-CD2 4.06Å; F362-L451 HydrophobicContact CZ-CD1 4.06Å; F362-V453 HydrophobicContact CZ-CG2 4.11Å
363D65.7Low66.9Low38 Ų3875.3 Ų75.320%0.20337%0.365CS..SBendtrans52.823.1170.2-68-24.8000118D365 V366 N428 Y429D363-D365 VanDerWaalsContact C-N 3.32Å; D363-D365 PolarHBondContact O-N 3.29Å; D363-V366 HydrophobicContact CB-CB 4.48Å; D363-V366 HydrophobicContact CB-CG2 4.13Å; D363-V366 PolarHBondContact O-N 2.56Å; D363-N428 PolarHBondContact OD2-OD1 3.32Å; D363-Y429 PolarHBondContact N-O 3.44Å; D363-Y429 VanDerWaalsContact N-O 3.08Å; D363-Y429 PolarHBondContact OD1-N 3.22Å; D363-Y429 VanDerWaalsContact OD1-N 3.13Å
364K58.5Low66.5Low130 Ų13077.3 Ų77.357%0.56537%0.372SS*.THydrogen-bonded Turntrans-67.2-23.8-175.2-178.6177.1178.3-176.40115.6V361 F362V361-K364 HydrophobicContact CG1-CB 3.28Å; V361-K364 HydrophobicContact CG1-CD 3.62Å; V361-K364 HydrophobicContact CG1-CG 4.05Å; F362-K364 PolarHBondContact O-N 3.03Å
365D55Low66.5Low85 Ų8570.5 Ų70.546%0.45535%0.346SS..THydrogen-bonded Turntrans-113.714.3-177.3-60.8-27.6000112D363 T367 K445D363-D365 VanDerWaalsContact C-N 3.32Å; D363-D365 PolarHBondContact O-N 3.29Å; D365-T367 PolarHBondContact O-N 3.45Å; D365-K445 IonicContact OD2-NZ 2.65Å; D365-K445 PolarHBondContact OD2-NZ 2.97Å
366V58.2Low66.6Low34 Ų3470.8 Ų70.821%0.20635%0.35CS..SBendtrans-86.5101.9177-179.50000108.6D363 E368 Y429 L480D363-V366 HydrophobicContact CB-CB 4.48Å; D363-V366 HydrophobicContact CB-CG2 4.13Å; D363-V366 PolarHBondContact O-N 2.56Å; V366-E368 PolarHBondContact O-N 2.91Å; V366-Y429 HydrophobicContact CG2-CD2 3.9Å; V366-L480 HydrophobicContact CB-CD1 4.28Å; V366-L480 HydrophobicContact CG1-CD1 3.46Å; V366-L480 VanDerWaalsContact CG1-CD1 3.46Å; V366-L480 HydrophobicContact CG2-CD1 3.95Å
367T49.1Very low66.6Low100 Ų10072.2 Ų72.261%0.61336%0.357SS*.  trans-41.3127178.146.20000111.9D365 K369D365-T367 PolarHBondContact O-N 3.45Å; T367-K369 PolarHBondContact O-N 3.44Å
368E46.3Very low66.7Low174 Ų17471.7 Ų71.781%0.81336%0.358SS*.  trans-56.694.9-178.6-63.8-173.8135.800110.9V366V366-E368 PolarHBondContact O-N 2.91Å
369K50.4Low66.8Low110 Ų11074.2 Ų74.248%0.47838%0.384SS..  trans-111.7137.9172.9-69.9-173.8-179.3-174.60109.2T367 G371 F372T367-K369 PolarHBondContact O-N 3.44Å; K369-G371 PolarHBondContact O-N 2.97Å; K369-F372 HydrophobicContact CB-CD2 3.95Å; K369-F372 HydrophobicContact CB-CE2 3.66Å; K369-F372 WeakPolarHBondContact O-CD2 3.46Å
370K47.8Very low66.9Low218 Ų21873.3 Ų73.395%0.94839%0.387SS*.THydrogen-bonded Turntrans-56.2132.2179.2-70.5179.5175.6178.90109.9
371G55.6Low66.9Low59 Ų5976.2 Ų76.261%0.60840%0.402SS*.THydrogen-bonded Turntrans95.510172.700000117.5K369K369-G371 PolarHBondContact O-N 2.97Å
372F62.2Low67.3Low70 Ų7077.2 Ų77.231%0.30741%0.408SS..PPolyproline II helixtrans-91.2132.9173.2-73.1-100.5000111.5K369 K374K369-F372 HydrophobicContact CB-CD2 3.95Å; K369-F372 HydrophobicContact CB-CE2 3.66Å; K369-F372 WeakPolarHBondContact O-CD2 3.46Å; F372-K374 PolarHBondContact O-N 3.4Å
373R69.2Low67.9Low50 Ų5079.6 Ų79.619%0.18942%0.419CS..PPolyproline II helixtrans-67.8129.6170.6-68.5-174.7-65.8163.16.9108.4F375 E405 T423 V453R373-F375 HydrophobicContact CB-CE2 3.63Å; R373-F375 HydrophobicContact CB-CZ 3.72Å; R373-E405 WeakPolarHBondContact CD-OE1 3.37Å; R373-T423 HydrophobicContact CG-CG2 3.92Å; R373-T423 PolarHBondContact NE-O 2.96Å; R373-T423 PolarHBondContact NH2-O 3.45Å; R373-V453 PolarHBondContact NH2-O 2.75Å
374K71.3Confident68.8Low87 Ų8780.4 Ų80.438%0.37843%0.425SS..EExtended strand (participates in β ladder)trans-100.4142.2174.6-66.8-172.3177.8-173.10109.4F372 Q406F372-K374 PolarHBondContact O-N 3.4Å; K374-Q406 HydrophobicContact CB-CB 4.18Å; K374-Q406 WeakPolarHBondContact O-CB 3.46Å; K374-Q406 PolarHBondContact O-N 3.02Å
375F78.5Confident70.1Confident12 Ų1274.2 Ų74.25%0.05340%0.398CS..EExtended strand (participates in β ladder)trans-128.8140.3179.5-56.4-92.2000111T335 F362 R373 L403 K404 E405 V453T335-F375 HydrophobicContact CG2-CD1 4.11Å; T335-F375 HydrophobicContact CG2-CE1 3.76Å; F362-F375 HydrophobicContact CD1-CB 3.92Å; F362-F375 HydrophobicContact CE1-CB 3.68Å; F362-F375 AromaticContact CE1-CD2 3.75Å; F362-F375 HydrophobicContact CE1-CD2 3.75Å; F362-F375 HydrophobicContact CE1-CG 4.1Å; F362-F375 HydrophobicContact CZ-CD2 4.44Å; R373-F375 HydrophobicContact CB-CE2 3.63Å; R373-F375 HydrophobicContact CB-CZ 3.72Å; F375-L403 HydrophobicContact CB-CD2 4.06Å; F375-K404 WeakPolarHBondContact CA-O 3.29Å; F375-E405 HydrophobicContact CD1-CB 4.01Å; F375-E405 HydrophobicContact CD1-CG 4.41Å; F375-E405 HydrophobicContact CE1-CB 3.92Å; F375-E405 HydrophobicContact CE1-CG 4.07Å; F375-V453 HydrophobicContact CD1-CG1 4Å; F375-V453 HydrophobicContact CE1-CB 4.24Å; F375-V453 HydrophobicContact CE1-CG1 3.51Å; F375-V453 HydrophobicContact CE2-CB 4.12Å; F375-V453 HydrophobicContact CE2-CG1 4.27Å; F375-V453 HydrophobicContact CE2-CG2 4.33Å; F375-V453 HydrophobicContact CZ-CB 3.86Å; F375-V453 HydrophobicContact CZ-CG1 3.65Å; F375-V453 HydrophobicContact CZ-CG2 4.49Å
376N80.3Confident71.5Confident80 Ų8072.4 Ų72.443%0.42839%0.388SS..EExtended strand (participates in β ladder)trans-100.6141.1174.4-69.5-29.1000110.1K404N376-K404 PolarHBondContact N-O 3.29Å; N376-K404 PolarHBondContact O-N 2.91Å
377I81.7Confident72.8Confident34 Ų3472.5 Ų72.517%0.17439%0.387CS..EExtended strand (participates in β ladder)trans-81.7124.4173-51.8172.6000108.4A360 F362 N381 L401 Q402 L403 W430A360-I377 HydrophobicContact CB-CD1 4.13Å; F362-I377 HydrophobicContact CB-CD1 3.83Å; F362-I377 HydrophobicContact CB-CG1 3.82Å; I377-N381 HydrophobicContact CG2-CB 4.44Å; I377-L401 HydrophobicContact CG2-CD2 3.8Å; I377-Q402 WeakPolarHBondContact CA-O 3.46Å; I377-L403 HydrophobicContact CG1-CD2 4.45Å; I377-W430 HydrophobicContact CB-CH2 4.16Å; I377-W430 HydrophobicContact CD1-CH2 3.3Å; I377-W430 HydrophobicContact CD1-CZ2 3.29Å; I377-W430 HydrophobicContact CD1-CZ3 4.14Å; I377-W430 HydrophobicContact CG1-CH2 3.34Å; I377-W430 HydrophobicContact CG1-CZ2 3.9Å; I377-W430 HydrophobicContact CG1-CZ3 4.03Å; I377-W430 HydrophobicContact CG2-CH2 3.81Å; I377-W430 HydrophobicContact CG2-CZ2 4.19Å
378L82.4Confident74.2Confident73 Ų7369.7 Ų69.738%0.38237%0.367SS..EExtended strand (participates in β ladder)trans-106.1151.2167.9-60.9177.4000109.7Q402 K404L378-Q402 HydrophobicContact CB-CB 4.07Å; L378-Q402 PolarHBondContact N-O 3.2Å; L378-Q402 PolarHBondContact O-N 2.79Å; L378-K404 HydrophobicContact CD1-CB 3.68Å; L378-K404 HydrophobicContact CD1-CD 3.87Å; L378-K404 HydrophobicContact CD1-CG 4.41Å; L378-K404 HydrophobicContact CG-CB 4.19Å
379G82.7Confident74.9Confident53 Ų5371.2 Ų71.255%0.54637%0.374SS..SBendtrans95.4-161.1-176.600000113.7N381G379-N381 PolarHBondContact O-N 2.49Å
380T83.4Confident75.3Confident88 Ų8870.8 Ų70.854%0.5439%0.385SS..  trans-76.689.5-173.5-49.90000111.1T382 F398T380-T382 VanDerWaalsContact C-N 3.27Å; T380-T382 VanDerWaalsContact CG2-O 3.23Å; T380-T382 WeakPolarHBondContact CG2-O 3.31Å; T380-T382 PolarHBondContact O-N 2.83Å; T380-F398 WeakPolarHBondContact O-CD1 3.46Å
381N79.9Confident76Confident64 Ų6464.5 Ų64.534%0.34236%0.361SS..  trans-78.3-3.1-178.968.72.3000114.5K359 A360 I377 G379K359-N381 CarbonylContact C-O 3.27Å; K359-N381 WeakPolarHBondContact CA-O 3.49Å; A360-N381 HydrophobicContact CB-CB 4.4Å; A360-N381 WeakPolarHBondContact CB-O 3.29Å; A360-N381 PolarHBondContact N-O 3.49Å; I377-N381 HydrophobicContact CG2-CB 4.44Å; G379-N381 PolarHBondContact O-N 2.49Å
382T82.2Confident76.7Confident41 Ų4162.6 Ų62.625%0.25234%0.342SS..EExtended strand (participates in β ladder)trans-13313517459.90000110.9K357 V358 K359 T380K357-T382 VanDerWaalsContact CE-CB 3.46Å; K357-T382 WeakPolarHBondContact CE-OG1 3.22Å; V358-T382 CarbonylContact O-C 3.43Å; V358-T382 VanDerWaalsContact O-CA 3.23Å; V358-T382 WeakPolarHBondContact O-CA 3.31Å; K359-T382 HydrophobicContact CB-CG2 3.85Å; K359-T382 HydrophobicContact CD-CG2 4.05Å; K359-T382 HydrophobicContact CG-CG2 3.68Å; T380-T382 VanDerWaalsContact C-N 3.27Å; T380-T382 VanDerWaalsContact CG2-O 3.23Å; T380-T382 WeakPolarHBondContact CG2-O 3.31Å; T380-T382 PolarHBondContact O-N 2.83Å
383K85.2Confident77.7Confident72 Ų7259.3 Ų59.331%0.31333%0.327SS..EExtended strand (participates in β ladder)trans-139.6146.7175.6-166.9165.8176169.90109.7V358 E397 F398V358-K383 PolarHBondContact N-O 2.92Å; V358-K383 PolarHBondContact O-N 3.39Å; K383-E397 WeakPolarHBondContact CD-O 3.48Å; K383-E397 WeakPolarHBondContact CE-O 3.5Å; K383-E397 PolarHBondContact NZ-O 3.22Å; K383-F398 HydrophobicContact CB-CD1 4.21Å; K383-F398 HydrophobicContact CB-CE1 3.43Å; K383-F398 VanDerWaalsContact CB-CE1 3.43Å; K383-F398 HydrophobicContact CB-CE2 4.01Å; K383-F398 HydrophobicContact CB-CZ 3.28Å
384V86.1Confident78.5Confident55 Ų5556.9 Ų56.933%0.33332%0.318SS..EExtended strand (participates in β ladder)trans-90137174.4179.80000107.9Y354 L356 K357Y354-V384 HydrophobicContact CD1-CG1 4.31Å; Y354-V384 WeakPolarHBondContact O-CG1 3.32Å; L356-V384 WeakPolarHBondContact O-CA 3.46Å; K357-V384 HydrophobicContact CG-CG2 4.41Å
385M84.4Confident79.3Confident0 Ų052.8 Ų52.80%030%0.3CS..  trans-72.1137.3173.4-69.7-178.3165.900110.4L315 L343 F345 Y354 L356 V358 L394 A395 A396 L434L315-M385 HydrophobicContact CD1-CE 3.22Å; L343-M385 HydrophobicContact CB-CE 4.22Å; F345-M385 HydrophobicContact CB-CE 4.32Å; F345-M385 HydrophobicContact CB-SD 3.89Å; Y354-M385 PolarHBondContact N-O 3.44Å; L356-M385 HydrophobicContact CB-CB 4.15Å; L356-M385 HydrophobicContact CB-CG 4.37Å; L356-M385 HydrophobicContact CB-SD 4.17Å; L356-M385 HydrophobicContact CD1-SD 4.1Å; L356-M385 PolarHBondContact O-N 3.33Å; V358-M385 HydrophobicContact CG2-CE 3.52Å; V358-M385 HydrophobicContact CG2-CG 3.61Å; V358-M385 HydrophobicContact CG2-SD 4.13Å; M385-L394 HydrophobicContact CB-CD1 4.02Å; M385-L394 HydrophobicContact CB-CG 4.09Å; M385-L394 HydrophobicContact SD-CG 4.49Å; M385-A395 WeakPolarHBondContact CA-O 3.36Å; M385-A396 HydrophobicContact CG-CB 3.72Å; M385-L434 HydrophobicContact CE-CD1 4.33Å; M385-L434 HydrophobicContact SD-CD1 4.17Å
386N85.5Confident79.8Confident46 Ų4652.2 Ų52.225%0.24630%0.298CS..EExtended strand (participates in β ladder)trans-133.6155.3178.963.9-58.8000110.1Y354 A395Y354-N386 HydrophobicContact CD1-CB 4.33Å; Y354-N386 HydrophobicContact CE1-CB 3.72Å; N386-A395 PolarHBondContact N-O 3.12Å; N386-A395 VanDerWaalsContact N-O 3.09Å; N386-A395 PolarHBondContact O-N 3.1Å; N386-A395 VanDerWaalsContact O-N 3.13Å; N386-A395 PolarHBondContact OD1-O 3.46Å
387M84.3Confident80.2Confident36 Ų3649.4 Ų49.418%0.17728%0.282CS..EExtended strand (participates in β ladder)trans-73.3127.7170.8-75.2-170.217100110.3K348 N353 S393 L394K348-M387 HydrophobicContact CG-CE 3.88Å; N353-M387 PolarHBondContact OD1-N 3.22Å; M387-S393 WeakPolarHBondContact CA-O 3.37Å; M387-L394 HydrophobicContact CG-CD1 4.3Å
388E78.8Confident80.5Confident41 Ų4148.1 Ų48.119%0.19228%0.275CS..  trans-86.1138173.9-70.3-179.1173.200111.3K342 S390 G392 S393K342-E388 WeakPolarHBondContact CE-OE1 3.36Å; K342-E388 WeakPolarHBondContact CE-OE2 3.19Å; K342-E388 IonicContact NZ-OE1 2.75Å; K342-E388 PolarHBondContact NZ-OE1 2.79Å; K342-E388 IonicContact NZ-OE2 2.79Å; K342-E388 PolarHBondContact NZ-OE2 3.19Å; E388-S390 PolarHBondContact O-N 3.03Å; E388-G392 WeakPolarHBondContact O-CA 3.26Å; E388-G392 PolarHBondContact O-N 3.1Å; E388-S393 PolarHBondContact N-O 3.1Å
389E61.7Low80.7Confident207 Ų20751.6 Ų51.697%0.96728%0.283SS*.THydrogen-bonded Turntrans-67-29.6-174.2-68.1177173.400114.2
390S58.9Low80.9Confident100 Ų10054.2 Ų54.270%0.69928%0.281SS*.THydrogen-bonded Turntrans-74.8-30.8-173.151.40000114.2E388E388-S390 PolarHBondContact O-N 3.03Å
391N61.6Low81.1Confident86 Ų8650 Ų5046%0.4626%0.256SS..THydrogen-bonded Turntrans-134.2-5.9-174-47.249.6000111.9S393N391-S393 PolarHBondContact O-N 3.3Å
392G70.9Confident81.5Confident19 Ų1949.6 Ų49.620%0.19625%0.251CS..  trans60.623.2-170.900000114K348 E388K348-G392 WeakPolarHBondContact CD-O 3.27Å; K348-G392 WeakPolarHBondContact CE-O 3.3Å; K348-G392 PolarHBondContact NZ-O 3.29Å; K348-G392 VanDerWaalsContact NZ-O 3.16Å; E388-G392 WeakPolarHBondContact O-CA 3.26Å; E388-G392 PolarHBondContact O-N 3.1Å
393S82.4Confident81.7Confident1 Ų147.7 Ų47.71%0.00724%0.24CC..  trans-80.4145.6-176.961.30000111.6M387 E388 N391 A395M387-S393 WeakPolarHBondContact CA-O 3.37Å; E388-S393 PolarHBondContact N-O 3.1Å; N391-S393 PolarHBondContact O-N 3.3Å; S393-A395 PolarHBondContact O-N 3.16Å
394L86.4Confident81.6Confident0 Ų050.7 Ų50.70%025%0.253CS..EExtended strand (participates in β ladder)trans-88.8100.8175.2-170.364.5000109.3F345 F352 L356 M385 M387F345-L394 HydrophobicContact CB-CB 4.37Å; F345-L394 HydrophobicContact CB-CD2 4.17Å; F345-L394 HydrophobicContact CB-CG 4.36Å; F345-L394 HydrophobicContact CD1-CD2 3.86Å; F345-L394 HydrophobicContact CG-CD2 4.4Å; F345-L394 PolarHBondContact N-O 3.49Å; F352-L394 HydrophobicContact CB-CD2 3.75Å; L356-L394 HydrophobicContact CD1-CD2 3.78Å; M385-L394 HydrophobicContact CB-CD1 4.02Å; M385-L394 HydrophobicContact CB-CG 4.09Å; M385-L394 HydrophobicContact SD-CG 4.49Å; M387-L394 HydrophobicContact CG-CD1 4.3Å
395A88.6Confident81.4Confident0 Ų051.5 Ų51.50%025%0.253CS..EExtended strand (participates in β ladder)trans-132.7160.1-171.300000112.8L343 M385 N386 S393L343-A395 CarbonylContact O-C 3.51Å; L343-A395 WeakPolarHBondContact O-CA 3.39Å; L343-A395 VanDerWaalsContact O-CB 3.31Å; L343-A395 WeakPolarHBondContact O-CB 3.43Å; M385-A395 WeakPolarHBondContact CA-O 3.36Å; N386-A395 PolarHBondContact N-O 3.12Å; N386-A395 VanDerWaalsContact N-O 3.09Å; N386-A395 PolarHBondContact O-N 3.1Å; N386-A395 VanDerWaalsContact O-N 3.13Å; N386-A395 PolarHBondContact OD1-O 3.46Å; S393-A395 PolarHBondContact O-N 3.16Å
396A88.5Confident81.1Confident0 Ų055.6 Ų55.60%027%0.272CS..EExtended strand (participates in β ladder)trans-133.3109.8168.600000109.6L343 V358 M385 F398L343-A396 PolarHBondContact N-O 3.29Å; L343-A396 PolarHBondContact O-N 3.07Å; V358-A396 HydrophobicContact CG2-CB 3.93Å; M385-A396 HydrophobicContact CG-CB 3.72Å; A396-F398 HydrophobicContact CB-CE2 4.01Å
397E89.7Confident80.2Confident22 Ų2262.4 Ų62.410%0.10330%0.299CS..EExtended strand (participates in β ladder)trans-97.5121177.2-169.7-178.7-15000111.8R319 V341 K342 K383 R399R319-E397 IonicContact NH1-OE1 3.7Å; R319-E397 PolarHBondContact NH1-OE1 3.5Å; V341-E397 CarbonylContact O-C 3.57Å; K342-E397 HydrophobicContact CB-CG 4.3Å; K342-E397 HydrophobicContact CG-CB 4.16Å; K342-E397 HydrophobicContact CG-CG 4.38Å; K383-E397 WeakPolarHBondContact CD-O 3.48Å; K383-E397 WeakPolarHBondContact CE-O 3.5Å; K383-E397 PolarHBondContact NZ-O 3.22Å; E397-R399 HydrophobicContact CG-CG 4.07Å; E397-R399 IonicContact OE1-NE 2.78Å; E397-R399 IonicContact OE2-CZ 3.9Å; E397-R399 IonicContact OE2-NE 3.8Å; E397-R399 PolarHBondContact OE2-NE 3.01Å; E397-R399 IonicContact OE2-NH2 2.67Å; E397-R399 PolarHBondContact OE2-NH2 3.47Å
398F88Confident78.8Confident6 Ų666.9 Ų66.93%0.02632%0.323CS..EExtended strand (participates in β ladder)trans-97.2116.2173.7-66.1-97.4000108.6T340 V341 L343 V358 T380 K383 A396 L401 W432T340-F398 CarbonylContact C-O 3.55Å; T340-F398 WeakPolarHBondContact CA-O 3.11Å; T340-F398 WeakPolarHBondContact CB-O 3.37Å; V341-F398 PolarHBondContact N-O 3.22Å; V341-F398 PolarHBondContact O-N 2.9Å; L343-F398 HydrophobicContact CD1-CD2 4.43Å; L343-F398 HydrophobicContact CD1-CE2 3.84Å; V358-F398 HydrophobicContact CB-CZ 4.21Å; V358-F398 HydrophobicContact CG1-CZ 4.5Å; T380-F398 WeakPolarHBondContact O-CD1 3.46Å; K383-F398 HydrophobicContact CB-CD1 4.21Å; K383-F398 HydrophobicContact CB-CE1 3.43Å; K383-F398 VanDerWaalsContact CB-CE1 3.43Å; K383-F398 HydrophobicContact CB-CE2 4.01Å; K383-F398 HydrophobicContact CB-CZ 3.28Å; A396-F398 HydrophobicContact CB-CE2 4.01Å; F398-L401 HydrophobicContact CB-CD1 3.55Å; F398-L401 HydrophobicContact CB-CG 3.86Å; F398-L401 HydrophobicContact CD1-CD1 4.37Å; F398-L401 HydrophobicContact CD1-CD2 4.28Å; F398-L401 HydrophobicContact CD1-CG 4.47Å; F398-L401 HydrophobicContact CG-CD1 4.13Å; F398-W432 HydrophobicContact CB-CH2 4.17Å; F398-W432 AromaticContact CD1-CH2 3.46Å; F398-W432 HydrophobicContact CD1-CH2 3.46Å; F398-W432 VanDerWaalsContact CD1-CH2 3.46Å; F398-W432 AromaticContact CD1-CZ3 3.87Å; F398-W432 HydrophobicContact CD1-CZ3 3.87Å; F398-W432 AromaticContact CD2-CH2 3.12Å; F398-W432 HydrophobicContact CD2-CH2 3.12Å; F398-W432 AromaticContact CD2-CZ2 3.71Å; F398-W432 HydrophobicContact CD2-CZ2 3.71Å; F398-W432 AromaticContact CD2-CZ3 3.64Å; F398-W432 HydrophobicContact CD2-CZ3 3.64Å; F398-W432 AromaticContact CE1-CH2 3.48Å; F398-W432 HydrophobicContact CE1-CH2 3.48Å; F398-W432 VanDerWaalsContact CE1-CH2 3.48Å; F398-W432 AromaticContact CE1-CZ3 3.35Å; F398-W432 HydrophobicContact CE1-CZ3 3.35Å; F398-W432 AromaticContact CE2-CE3 3.89Å; F398-W432 HydrophobicContact CE2-CE3 3.89Å; F398-W432 AromaticContact CE2-CH2 3.18Å; F398-W432 HydrophobicContact CE2-CH2 3.18Å; F398-W432 AromaticContact CE2-CZ2 3.98Å; F398-W432 HydrophobicContact CE2-CZ2 3.98Å; F398-W432 AromaticContact CE2-CZ3 3.11Å; F398-W432 HydrophobicContact CE2-CZ3 3.11Å; F398-W432 AromaticContact CG-CH2 3.28Å; F398-W432 HydrophobicContact CG-CH2 3.28Å; F398-W432 HydrophobicContact CG-CZ2 4.06Å; F398-W432 AromaticContact CG-CZ3 4Å; F398-W432 HydrophobicContact CG-CZ3 4Å; F398-W432 AromaticContact CZ-CE3 3.9Å; F398-W432 HydrophobicContact CZ-CE3 3.9Å; F398-W432 AromaticContact CZ-CH2 3.37Å; F398-W432 HydrophobicContact CZ-CH2 3.37Å; F398-W432 AromaticContact CZ-CZ3 2.95Å; F398-W432 HydrophobicContact CZ-CZ3 2.95Å
399R86.7Confident77Confident146 Ų14670.3 Ų70.355%0.55136%0.359SS*.EExtended strand (participates in β ladder)trans-103.3-27.3-177.3-63.1-175.4-174.7173.91.2114.6F339 T340 E397F339-R399 CarbonylContact O-C 3.49Å; T340-R399 HydrophobicContact CG2-CB 4.32Å; T340-R399 HydrophobicContact CG2-CG 4.48Å; E397-R399 HydrophobicContact CG-CG 4.07Å; E397-R399 IonicContact OE1-NE 2.78Å; E397-R399 IonicContact OE2-CZ 3.9Å; E397-R399 IonicContact OE2-NE 3.8Å; E397-R399 PolarHBondContact OE2-NE 3.01Å; E397-R399 IonicContact OE2-NH2 2.67Å; E397-R399 PolarHBondContact OE2-NH2 3.47Å
400H85.9Confident76Confident108 Ų10863.6 Ų63.650%0.535%0.345SS..EExtended strand (participates in β ladder)trans-116.441.1-170.3-54.7-60.3000112.1Q338Q338-H400 PolarHBondContact OE1-ND1 3.06Å
401L87.5Confident75Confident1 Ų166.9 Ų66.91%0.00536%0.355CS..EExtended strand (participates in β ladder)trans-83.5139.8172.4-65.8172.7000109.6Q338 F339 V341 I377 F398 W430 W432Q338-L401 CarbonylContact C-O 3.54Å; Q338-L401 VanDerWaalsContact CA-O 3.31Å; Q338-L401 WeakPolarHBondContact CA-O 3.45Å; F339-L401 HydrophobicContact CD1-CB 4.15Å; F339-L401 WeakPolarHBondContact CD1-O 3.32Å; F339-L401 HydrophobicContact CD2-CB 4.2Å; F339-L401 HydrophobicContact CE1-CB 3.62Å; F339-L401 WeakPolarHBondContact CE1-O 3.37Å; F339-L401 HydrophobicContact CE2-CB 3.69Å; F339-L401 HydrophobicContact CE2-CD1 3.76Å; F339-L401 HydrophobicContact CE2-CG 4.4Å; F339-L401 HydrophobicContact CG-CB 4.41Å; F339-L401 HydrophobicContact CZ-CB 3.37Å; F339-L401 HydrophobicContact CZ-CD1 4.03Å; F339-L401 HydrophobicContact CZ-CG 4.34Å; F339-L401 PolarHBondContact N-O 2.97Å; F339-L401 PolarHBondContact O-N 3.37Å; V341-L401 HydrophobicContact CG2-CD1 4.17Å; I377-L401 HydrophobicContact CG2-CD2 3.8Å; F398-L401 HydrophobicContact CB-CD1 3.55Å; F398-L401 HydrophobicContact CB-CG 3.86Å; F398-L401 HydrophobicContact CD1-CD1 4.37Å; F398-L401 HydrophobicContact CD1-CD2 4.28Å; F398-L401 HydrophobicContact CD1-CG 4.47Å; F398-L401 HydrophobicContact CG-CD1 4.13Å; L401-W430 HydrophobicContact CD1-CH2 4.32Å; L401-W430 HydrophobicContact CD1-CZ2 3.88Å; L401-W430 HydrophobicContact CD2-CZ2 4.42Å; L401-W432 HydrophobicContact CD1-CH2 4.08Å; L401-W432 HydrophobicContact CD1-CZ2 4.19Å
402Q87.5Confident74Confident54 Ų5474.1 Ų74.125%0.25238%0.376SS..EExtended strand (participates in β ladder)trans-136.1149.4174.9-71.5-178.4-26.800110.1G336 Q338 I377 L378G336-Q402 PolarHBondContact O-NE2 3.33Å; Q338-Q402 HydrophobicContact CB-CG 4.32Å; Q338-Q402 HydrophobicContact CG-CG 3.65Å; I377-Q402 WeakPolarHBondContact CA-O 3.46Å; L378-Q402 HydrophobicContact CB-CB 4.07Å; L378-Q402 PolarHBondContact N-O 3.2Å; L378-Q402 PolarHBondContact O-N 2.79Å
403L86.4Confident72.3Confident1 Ų177.9 Ų77.91%0.00540%0.395CS..EExtended strand (participates in β ladder)trans-108.2131.6174.3-74.4176.9000110.8L333 T335 G336 F339 F362 F375 I377 W430 V453L333-L403 HydrophobicContact CB-CD1 4.26Å; L333-L403 HydrophobicContact CD1-CD1 3.86Å; T335-L403 WeakPolarHBondContact CA-O 3.48Å; G336-L403 PolarHBondContact N-O 3.43Å; F339-L403 HydrophobicContact CE1-CG 3.98Å; F339-L403 HydrophobicContact CZ-CG 4.42Å; F362-L403 HydrophobicContact CD1-CD2 4.44Å; F362-L403 HydrophobicContact CD2-CD2 4.36Å; F362-L403 HydrophobicContact CE1-CD2 4.49Å; F362-L403 HydrophobicContact CE2-CD1 4.2Å; F362-L403 HydrophobicContact CE2-CD2 4.31Å; F362-L403 HydrophobicContact CG-CD2 4.35Å; F362-L403 HydrophobicContact CZ-CD1 4.09Å; F362-L403 HydrophobicContact CZ-CD2 4.37Å; F375-L403 HydrophobicContact CB-CD2 4.06Å; I377-L403 HydrophobicContact CG1-CD2 4.45Å; L403-W430 HydrophobicContact CD2-CH2 4.4Å; L403-W430 HydrophobicContact CD2-CZ3 3.84Å; L403-W430 HydrophobicContact CG-CZ3 4.42Å; L403-V453 HydrophobicContact CD1-CG1 4.34Å; L403-V453 HydrophobicContact CD1-CG2 3.73Å
404K83.9Confident70Confident135 Ų13585 Ų8559%0.58743%0.433SS*.EExtended strand (participates in β ladder)trans-122.6129.6171.2-174.5172.5179.7178.60110.1F375 N376 L378 Q406F375-K404 WeakPolarHBondContact CA-O 3.29Å; N376-K404 PolarHBondContact N-O 3.29Å; N376-K404 PolarHBondContact O-N 2.91Å; L378-K404 HydrophobicContact CD1-CB 3.68Å; L378-K404 HydrophobicContact CD1-CD 3.87Å; L378-K404 HydrophobicContact CD1-CG 4.41Å; L378-K404 HydrophobicContact CG-CB 4.19Å; K404-Q406 PolarHBondContact O-N 3.13Å
405E82.8Confident67.4Low73 Ų7392.7 Ų92.734%0.34147%0.469SS..EExtended strand (participates in β ladder)trans-66.8131.1178.1-172.3171.8-164.300111R373 F375R373-E405 WeakPolarHBondContact CD-OE1 3.37Å; F375-E405 HydrophobicContact CD1-CB 4.01Å; F375-E405 HydrophobicContact CD1-CG 4.41Å; F375-E405 HydrophobicContact CE1-CB 3.92Å; F375-E405 HydrophobicContact CE1-CG 4.07Å
406Q76.8Confident65Low86 Ų8696.4 Ų96.440%0.40249%0.492SS..EExtended strand (participates in β ladder)trans-88.6105.9173.8-173.3-179.57.600108.7K374 K404 L408K374-Q406 HydrophobicContact CB-CB 4.18Å; K374-Q406 WeakPolarHBondContact O-CB 3.46Å; K374-Q406 PolarHBondContact O-N 3.02Å; K404-Q406 PolarHBondContact O-N 3.13Å; Q406-L408 PolarHBondContact O-N 2.81Å
407K67.7Low62.2Low188 Ų188105.9 Ų105.982%0.81753%0.528SS*.  trans-73.6118.5175.1-65.5-176.9180177.80109.4
408L55.3Low59.1Low130 Ų130113 Ų11368%0.68156%0.561SS**  trans-78.4130.2168-76.8155.7000108.9Q406 G410Q406-L408 PolarHBondContact O-N 2.81Å; L408-G410 PolarHBondContact O-N 3.4Å
409A39.7Very low56.5Low113 Ų113117.4 Ų117.493%0.93458%0.58SS**  trans-75.4104.2172.500000109.1
410G40.2Very low53.7Low66 Ų66115.7 Ų115.768%0.6858%0.581SS**  trans-173135.7176.600000112.2L408L408-G410 PolarHBondContact O-N 3.4Å
411N38.2Very low51Low170 Ų170113.7 Ų113.791%0.90958%0.578SS**  trans-52.6134.7-168.8-83.8-19.7000114.8T413N411-T413 PolarHBondContact O-N 2.92Å
412R41.5Very low48.2Very low237 Ų237115.4 Ų115.489%0.89459%0.59SS**  trans-80.2105.7177.8-69173.4169.4174.3-4.9110.2
413T33.9Very low45.6Very low99 Ų99113.6 Ų113.661%0.60758%0.583SS**  trans-88.9145.115843.90000110.1N411 E415 V416N411-T413 PolarHBondContact O-N 2.92Å; T413-E415 PolarHBondContact O-N 3.26Å; T413-V416 WeakPolarHBondContact O-CG2 3.02Å; T413-V416 PolarHBondContact O-N 3.34Å
414N34.7Very low43.1Very low149 Ų149114 Ų11480%0.79759%0.586SS**G310 helixtrans-66.70.6-168.4-84.8-30.9000115.9V416N414-V416 PolarHBondContact O-N 2.61Å
415E32.6Very low40.9Very low162 Ų162110.1 Ų110.176%0.75757%0.567SS**G310 helixtrans-74.7-12.5172.7-67-178.9168.500113.1T413 R417T413-E415 PolarHBondContact O-N 3.26Å; E415-R417 VanDerWaalsContact C-N 3.33Å; E415-R417 PolarHBondContact O-N 3.37Å
416V37.6Very low38.8Very low79 Ų79109 Ų10948%0.47956%0.56SS.*G310 helixtrans-78.3-12.8-176.3-178.80000113.1T413 N414 E418 F419 I420T413-V416 WeakPolarHBondContact O-CG2 3.02Å; T413-V416 PolarHBondContact O-N 3.34Å; N414-V416 PolarHBondContact O-N 2.61Å; V416-E418 PolarHBondContact O-N 3.04Å; V416-F419 WeakPolarHBondContact O-CA 3.32Å; V416-F419 WeakPolarHBondContact O-CB 3.38Å; V416-F419 PolarHBondContact O-N 3.45Å; V416-F419 VanDerWaalsContact O-N 3.08Å; V416-I420 PolarHBondContact O-N 2.87Å
417R29Very low36.8Very low199 Ų199105 Ų10575%0.75154%0.542SS*.Hα-helixtrans-69.4-33.7-177.9-94.4-179.5173.7178.6-1.3113.7E415 F419 I420E415-R417 VanDerWaalsContact C-N 3.33Å; E415-R417 PolarHBondContact O-N 3.37Å; R417-F419 PolarHBondContact O-N 3.1Å; R417-I420 HydrophobicContact CG-CD1 4.22Å; R417-I420 PolarHBondContact O-N 2.98Å
418E26Very low35.4Very low171 Ų17196.8 Ų96.880%0.79951%0.507SS*.Hα-helixtrans-70.1-22171.3-70.1-169.4153.600112.3V416V416-E418 PolarHBondContact O-N 3.04Å
419F32.3Very low34.6Very low98 Ų9891.5 Ų91.543%0.4348%0.478SS..Hα-helixtrans-81.7-21.2177.7-82.4-88000114.6V416 R417 C421 S422 T423V416-F419 WeakPolarHBondContact O-CA 3.32Å; V416-F419 WeakPolarHBondContact O-CB 3.38Å; V416-F419 PolarHBondContact O-N 3.45Å; V416-F419 VanDerWaalsContact O-N 3.08Å; R417-F419 PolarHBondContact O-N 3.1Å; F419-C421 PolarHBondContact O-N 2.91Å; F419-S422 WeakPolarHBondContact CA-OG 3.44Å; F419-S422 WeakPolarHBondContact CD1-OG 3.46Å; F419-S422 PolarHBondContact O-N 3.27Å; F419-S422 PolarHBondContact O-OG 2.74Å; F419-T423 WeakPolarHBondContact O-CB 3.49Å; F419-T423 PolarHBondContact O-N 3.41Å; F419-T423 PolarHBondContact O-OG1 3.02Å
420I28.7Very low34.6Very low111 Ų11186.1 Ų86.157%0.56943%0.433SS*.Hα-helixtrans-63-30.3-179.8-66.1167.9000111.4V416 R417V416-I420 PolarHBondContact O-N 2.87Å; R417-I420 HydrophobicContact CG-CD1 4.22Å; R417-I420 PolarHBondContact O-N 2.98Å
421C29Very low34.4Very low66 Ų6683.4 Ų83.445%0.44640%0.403SS..Hα-helixtrans-92.2-26.3176.9-156.30000112.9F419 R425F419-C421 PolarHBondContact O-N 2.91Å; C421-R425 WeakPolarHBondContact O-CD 3.24Å; C421-R425 WeakPolarHBondContact O-CG 3.47Å; C421-R425 VanDerWaalsContact O-CZ 3.24Å; C421-R425 PolarHBondContact O-NE 3.01Å; C421-R425 PolarHBondContact O-NH1 3.21Å; C421-R425 VanDerWaalsContact O-NH1 3.1Å; C421-R425 VanDerWaalsContact SG-CZ 3.54Å; C421-R425 PolarHBondContact SG-NH2 2.84Å
422S29.3Very low34.7Very low36 Ų3675.3 Ų75.325%0.25236%0.36SS..Hα-helixtrans-86.9-21.5178.775.80000114.3F419 R425F419-S422 WeakPolarHBondContact CA-OG 3.44Å; F419-S422 WeakPolarHBondContact CD1-OG 3.46Å; F419-S422 PolarHBondContact O-N 3.27Å; F419-S422 PolarHBondContact O-OG 2.74Å; S422-R425 PolarHBondContact O-N 2.98Å
423T32.4Very low35Very low17 Ų1765 Ų6510%0.10432%0.322CS..THydrogen-bonded Turntrans-86.2-10.4176.8-33.90000112.6R373 F419 R425R373-T423 HydrophobicContact CG-CG2 3.92Å; R373-T423 PolarHBondContact NE-O 2.96Å; R373-T423 PolarHBondContact NH2-O 3.45Å; F419-T423 WeakPolarHBondContact O-CB 3.49Å; F419-T423 PolarHBondContact O-N 3.41Å; F419-T423 PolarHBondContact O-OG1 3.02Å; T423-R425 PolarHBondContact O-N 3.38Å
424S33.2Very low35.5Very low9 Ų960.4 Ų60.46%0.06329%0.294CS..THydrogen-bonded Turntrans-78.82.4166.3-159.60000113.2V452 Q459S424-V452 WeakPolarHBondContact O-CG1 3.37Å; S424-Q459 PolarHBondContact OG-NE2 3.23Å
425R39.1Very low36Very low54 Ų5456.2 Ų56.220%0.20427%0.274CS..SBendtrans-126.831.8-168.8-59.7174.8177.1138.4-6.8112.2C421 S422 T423 F483C421-R425 WeakPolarHBondContact O-CD 3.24Å; C421-R425 WeakPolarHBondContact O-CG 3.47Å; C421-R425 VanDerWaalsContact O-CZ 3.24Å; C421-R425 PolarHBondContact O-NE 3.01Å; C421-R425 PolarHBondContact O-NH1 3.21Å; C421-R425 VanDerWaalsContact O-NH1 3.1Å; C421-R425 VanDerWaalsContact SG-CZ 3.54Å; C421-R425 PolarHBondContact SG-NH2 2.84Å; S422-R425 PolarHBondContact O-N 2.98Å; T423-R425 PolarHBondContact O-N 3.38Å; R425-F483 VanDerWaalsContact O-CD2 3.25Å; R425-F483 WeakPolarHBondContact O-CD2 3.09Å
426R38.5Very low36.5Very low48 Ų4851 Ų5118%0.18125%0.251CS..  trans-128.2138.1179.9-67.5-176.1-175.8152.82.5109.7
427C33.6Very low36.8Very low4 Ų455.9 Ų55.93%0.02727%0.266CS..EExtended strand (participates in β ladder)trans-72.6141178.4-60.90000110.6P450 L451 L480C427-P450 HydrophobicContact CB-CB 3.44Å; C427-P450 VanDerWaalsContact CB-CB 3.44Å; C427-P450 WeakPolarHBondContact SG-CB 3.45Å; C427-L451 CarbonylContact C-O 3.49Å; C427-L451 WeakPolarHBondContact CA-O 3.41Å; C427-L480 WeakPolarHBondContact O-CD2 3.43Å
428N39.1Very low37.4Very low14 Ų1449.9 Ų49.98%0.07526%0.255CS..EExtended strand (participates in β ladder)trans-110.5159168.6-54.2-86000108.5F362 D363 L451F362-N428 HydrophobicContact CE1-CB 3.91Å; F362-N428 HydrophobicContact CE2-CB 3.93Å; F362-N428 HydrophobicContact CZ-CB 3.33Å; D363-N428 PolarHBondContact OD2-OD1 3.32Å; N428-L451 HydrophobicContact CB-CD1 3.91Å; N428-L451 HydrophobicContact CB-CG 4.17Å; N428-L451 PolarHBondContact N-O 2.89Å; N428-L451 PolarHBondContact ND2-O 3.41Å; N428-L451 PolarHBondContact O-N 2.66Å
429Y38.9Very low38Very low19 Ų1948 Ų488%0.07525%0.246CC..  trans-109.1132.3177.7-59.8-59.3000111.4D363 V366 P450 P477 R478 N479 L480D363-Y429 PolarHBondContact N-O 3.44Å; D363-Y429 VanDerWaalsContact N-O 3.08Å; D363-Y429 PolarHBondContact OD1-N 3.22Å; D363-Y429 VanDerWaalsContact OD1-N 3.13Å; V366-Y429 HydrophobicContact CG2-CD2 3.9Å; Y429-P450 HydrophobicContact CE1-CG 4.2Å; Y429-P477 WeakPolarHBondContact CE1-O 3.39Å; Y429-R478 WeakPolarHBondContact OH-CA 3.46Å; Y429-N479 VanDerWaalsContact OH-C 3.24Å; Y429-N479 WeakPolarHBondContact OH-CA 3.37Å; Y429-N479 PolarHBondContact OH-N 3.39Å; Y429-L480 HydrophobicContact CD2-CD1 4.24Å; Y429-L480 HydrophobicContact CD2-CD2 3.82Å; Y429-L480 HydrophobicContact CD2-CG 4.14Å; Y429-L480 HydrophobicContact CE1-CD2 4.28Å; Y429-L480 HydrophobicContact CE2-CD1 3.6Å; Y429-L480 HydrophobicContact CE2-CD2 3.21Å; Y429-L480 HydrophobicContact CE2-CG 3.2Å; Y429-L480 VanDerWaalsContact CZ-CD2 3.42Å; Y429-L480 WeakPolarHBondContact OH-CD2 3.4Å; Y429-L480 VanDerWaalsContact OH-CG 3.3Å; Y429-L480 WeakPolarHBondContact OH-CG 3.33Å; Y429-L480 PolarHBondContact OH-N 3.02Å
430W38.6Very low38.3Very low0 Ų050.1 Ų50.10%026%0.262CS..EExtended strand (participates in β ladder)trans-105.8119.1169.8-160.3-71.7000109.6F339 A360 F362 I377 L401 L403 W432 M447 A448 L451F339-W430 HydrophobicContact CE2-CH2 4.32Å; F339-W430 HydrophobicContact CE2-CZ3 4.24Å; F339-W430 HydrophobicContact CZ-CE3 4.33Å; F339-W430 AromaticContact CZ-CH2 3.64Å; F339-W430 HydrophobicContact CZ-CH2 3.64Å; F339-W430 HydrophobicContact CZ-CZ2 4.44Å; F339-W430 AromaticContact CZ-CZ3 3.59Å; F339-W430 HydrophobicContact CZ-CZ3 3.59Å; A360-W430 HydrophobicContact CB-CZ2 3.6Å; F362-W430 HydrophobicContact CB-CE3 4.49Å; F362-W430 HydrophobicContact CB-CZ3 4.33Å; F362-W430 AromaticContact CD2-CD2 3.96Å; F362-W430 HydrophobicContact CD2-CD2 3.96Å; F362-W430 AromaticContact CD2-CE3 3.1Å; F362-W430 HydrophobicContact CD2-CE3 3.1Å; F362-W430 HydrophobicContact CD2-CH2 4.44Å; F362-W430 AromaticContact CD2-CZ3 3.35Å; F362-W430 HydrophobicContact CD2-CZ3 3.35Å; F362-W430 AromaticContact CE2-CE3 3.53Å; F362-W430 HydrophobicContact CE2-CE3 3.53Å; F362-W430 AromaticContact CE2-CZ3 3.84Å; F362-W430 HydrophobicContact CE2-CZ3 3.84Å; F362-W430 HydrophobicContact CG-CE3 4.19Å; F362-W430 HydrophobicContact CG-CZ3 4.14Å; I377-W430 HydrophobicContact CB-CH2 4.16Å; I377-W430 HydrophobicContact CD1-CH2 3.3Å; I377-W430 HydrophobicContact CD1-CZ2 3.29Å; I377-W430 HydrophobicContact CD1-CZ3 4.14Å; I377-W430 HydrophobicContact CG1-CH2 3.34Å; I377-W430 HydrophobicContact CG1-CZ2 3.9Å; I377-W430 HydrophobicContact CG1-CZ3 4.03Å; I377-W430 HydrophobicContact CG2-CH2 3.81Å; I377-W430 HydrophobicContact CG2-CZ2 4.19Å; L401-W430 HydrophobicContact CD1-CH2 4.32Å; L401-W430 HydrophobicContact CD1-CZ2 3.88Å; L401-W430 HydrophobicContact CD2-CZ2 4.42Å; L403-W430 HydrophobicContact CD2-CH2 4.4Å; L403-W430 HydrophobicContact CD2-CZ3 3.84Å; L403-W430 HydrophobicContact CG-CZ3 4.42Å; W430-W432 AromaticContact CD1-CD1 3.62Å; W430-W432 AromaticContact CD1-CE2 3.48Å; W430-W432 VanDerWaalsContact CD1-CE2 3.48Å; W430-W432 AromaticContact CD1-CZ2 3.94Å; W430-W432 AromaticContact CD1-NE1 3.14Å; W430-W432 AromaticContact NE1-CD2 3.85Å; W430-W432 AromaticContact NE1-CE2 3.2Å; W430-W432 AromaticContact NE1-CH2 3.88Å; W430-W432 AromaticContact NE1-CZ2 3.24Å; W430-W432 AromaticContact NE1-NE1 3.42Å; W430-M447 WeakPolarHBondContact O-CA 3.05Å; W430-A448 HydrophobicContact CB-CB 3.92Å; W430-A448 PolarHBondContact O-N 2.94Å; W430-L451 HydrophobicContact CB-CD2 4.22Å
431N35.8Very low39.1Very low10 Ų1053.6 Ų53.65%0.05328%0.276CS..EExtended strand (participates in β ladder)trans-109.4141.3177.7-68.5-14.6000110V361 A446 M447V361-N431 PolarHBondContact N-O 2.98Å; V361-N431 PolarHBondContact O-N 3.18Å; V361-N431 VanDerWaalsContact O-O 3.1Å; N431-A446 CarbonylContact C-O 3.59Å; N431-A446 WeakPolarHBondContact CA-O 3.24Å; N431-M447 WeakPolarHBondContact OD1-CG 3.5Å
432W45.1Very low40Very low0 Ų053.6 Ų53.60%028%0.276CS..EExtended strand (participates in β ladder)trans-114.7126.5172.2-67.896.6000109.5V341 L343 V358 K359 A360 F398 L401 W430 K445 A446V341-W432 HydrophobicContact CB-CZ2 4.15Å; V341-W432 HydrophobicContact CG1-CZ2 4.04Å; V341-W432 HydrophobicContact CG2-CZ2 4.5Å; L343-W432 HydrophobicContact CD1-CB 3.91Å; L343-W432 HydrophobicContact CD1-CD2 3.18Å; L343-W432 HydrophobicContact CD1-CE3 3.51Å; L343-W432 HydrophobicContact CD1-CG 3.39Å; L343-W432 HydrophobicContact CD1-CH2 4.41Å; L343-W432 HydrophobicContact CD1-CZ2 4.15Å; L343-W432 HydrophobicContact CD1-CZ3 4.12Å; L343-W432 HydrophobicContact CD2-CB 4.2Å; L343-W432 HydrophobicContact CD2-CD2 4.34Å; L343-W432 HydrophobicContact CD2-CG 3.78Å; L343-W432 HydrophobicContact CG-CD2 4.17Å; L343-W432 HydrophobicContact CG-CG 4.11Å; V358-W432 HydrophobicContact CB-CE3 4.38Å; V358-W432 HydrophobicContact CG1-CB 3.92Å; V358-W432 HydrophobicContact CG1-CD2 4.04Å; V358-W432 HydrophobicContact CG1-CE3 3.36Å; V358-W432 HydrophobicContact CG1-CG 4.32Å; V358-W432 HydrophobicContact CG1-CZ3 4.14Å; K359-W432 VanDerWaalsContact C-CE3 3.48Å; K359-W432 WeakPolarHBondContact O-CA 3.33Å; A360-W432 HydrophobicContact CB-CD2 4.45Å; A360-W432 HydrophobicContact CB-CE3 3.75Å; A360-W432 HydrophobicContact CB-CH2 3.24Å; A360-W432 HydrophobicContact CB-CZ2 4.03Å; A360-W432 HydrophobicContact CB-CZ3 3.08Å; A360-W432 VanDerWaalsContact N-CZ3 3.27Å; F398-W432 HydrophobicContact CB-CH2 4.17Å; F398-W432 AromaticContact CD1-CH2 3.46Å; F398-W432 HydrophobicContact CD1-CH2 3.46Å; F398-W432 VanDerWaalsContact CD1-CH2 3.46Å; F398-W432 AromaticContact CD1-CZ3 3.87Å; F398-W432 HydrophobicContact CD1-CZ3 3.87Å; F398-W432 AromaticContact CD2-CH2 3.12Å; F398-W432 HydrophobicContact CD2-CH2 3.12Å; F398-W432 AromaticContact CD2-CZ2 3.71Å; F398-W432 HydrophobicContact CD2-CZ2 3.71Å; F398-W432 AromaticContact CD2-CZ3 3.64Å; F398-W432 HydrophobicContact CD2-CZ3 3.64Å; F398-W432 AromaticContact CE1-CH2 3.48Å; F398-W432 HydrophobicContact CE1-CH2 3.48Å; F398-W432 VanDerWaalsContact CE1-CH2 3.48Å; F398-W432 AromaticContact CE1-CZ3 3.35Å; F398-W432 HydrophobicContact CE1-CZ3 3.35Å; F398-W432 AromaticContact CE2-CE3 3.89Å; F398-W432 HydrophobicContact CE2-CE3 3.89Å; F398-W432 AromaticContact CE2-CH2 3.18Å; F398-W432 HydrophobicContact CE2-CH2 3.18Å; F398-W432 AromaticContact CE2-CZ2 3.98Å; F398-W432 HydrophobicContact CE2-CZ2 3.98Å; F398-W432 AromaticContact CE2-CZ3 3.11Å; F398-W432 HydrophobicContact CE2-CZ3 3.11Å; F398-W432 AromaticContact CG-CH2 3.28Å; F398-W432 HydrophobicContact CG-CH2 3.28Å; F398-W432 HydrophobicContact CG-CZ2 4.06Å; F398-W432 AromaticContact CG-CZ3 4Å; F398-W432 HydrophobicContact CG-CZ3 4Å; F398-W432 AromaticContact CZ-CE3 3.9Å; F398-W432 HydrophobicContact CZ-CE3 3.9Å; F398-W432 AromaticContact CZ-CH2 3.37Å; F398-W432 HydrophobicContact CZ-CH2 3.37Å; F398-W432 AromaticContact CZ-CZ3 2.95Å; F398-W432 HydrophobicContact CZ-CZ3 2.95Å; L401-W432 HydrophobicContact CD1-CH2 4.08Å; L401-W432 HydrophobicContact CD1-CZ2 4.19Å; W430-W432 AromaticContact CD1-CD1 3.62Å; W430-W432 AromaticContact CD1-CE2 3.48Å; W430-W432 VanDerWaalsContact CD1-CE2 3.48Å; W430-W432 AromaticContact CD1-CZ2 3.94Å; W430-W432 AromaticContact CD1-NE1 3.14Å; W430-W432 AromaticContact NE1-CD2 3.85Å; W430-W432 AromaticContact NE1-CE2 3.2Å; W430-W432 AromaticContact NE1-CH2 3.88Å; W430-W432 AromaticContact NE1-CZ2 3.24Å; W430-W432 AromaticContact NE1-NE1 3.42Å; W432-K445 VanDerWaalsContact O-CA 3.27Å; W432-K445 WeakPolarHBondContact O-CA 3.49Å; W432-A446 PolarHBondContact N-O 3.42Å; W432-A446 PolarHBondContact O-N 3.45Å; W432-A446 VanDerWaalsContact O-N 3.16Å
433I47.9Very low41.6Very low20 Ų2059.8 Ų59.810%0.10329%0.294CS..EExtended strand (participates in β ladder)trans-105.2120.7175.5-57.7175.1000108.2V358 K359 V361 T435 R443 L444 K445V358-I433 WeakPolarHBondContact CA-O 3.47Å; K359-I433 PolarHBondContact N-O 2.93Å; K359-I433 PolarHBondContact O-N 3.13Å; V361-I433 HydrophobicContact CG2-CD1 4.23Å; I433-T435 HydrophobicContact CG2-CG2 4.2Å; I433-R443 HydrophobicContact CG2-CB 4.06Å; I433-R443 HydrophobicContact CG2-CG 4.14Å; I433-L444 WeakPolarHBondContact CA-O 3.24Å; I433-K445 HydrophobicContact CG1-CG 4.47Å
434L43.9Very low43.4Very low3 Ų360 Ų602%0.01629%0.294CS..EExtended strand (participates in β ladder)trans-90.5131.9168.3-166.468.2000109.9L315 F345 L356 V358 M385 L444L315-L434 HydrophobicContact CD2-CB 4.18Å; F345-L434 HydrophobicContact CD2-CD2 4.4Å; F345-L434 HydrophobicContact CE2-CD2 4.16Å; L356-L434 HydrophobicContact CB-CD1 3.64Å; L356-L434 HydrophobicContact CB-CD2 4.35Å; L356-L434 HydrophobicContact CB-CG 4.31Å; L356-L434 HydrophobicContact CD1-CD2 3.99Å; L356-L434 HydrophobicContact CD2-CD1 4.4Å; L356-L434 HydrophobicContact CD2-CD2 3.78Å; L356-L434 HydrophobicContact CD2-CG 4.14Å; L356-L434 HydrophobicContact CG-CD1 4.42Å; L356-L434 HydrophobicContact CG-CD2 4.23Å; V358-L434 HydrophobicContact CB-CD1 4.45Å; V358-L434 HydrophobicContact CG2-CD1 3.72Å; M385-L434 HydrophobicContact CE-CD1 4.33Å; M385-L434 HydrophobicContact SD-CD1 4.17Å; L434-L444 HydrophobicContact CB-CB 3.98Å; L434-L444 HydrophobicContact CB-CG 4.44Å; L434-L444 HydrophobicContact CD2-CD1 3.76Å; L434-L444 HydrophobicContact CD2-CG 4.34Å; L434-L444 PolarHBondContact N-O 3.42Å; L434-L444 PolarHBondContact O-N 3Å
435T44.9Very low45.3Very low61 Ų6164.3 Ų64.337%0.37431%0.312SS..EExtended strand (participates in β ladder)trans-122.2121.8171.754.10000109.4K357 I433K357-T435 PolarHBondContact N-O 3.25Å; K357-T435 PolarHBondContact O-N 3.32Å; K357-T435 PolarHBondContact O-OG1 3.03Å; I433-T435 HydrophobicContact CG2-CG2 4.2Å
436N44.5Very low47Very low52 Ų5262 Ų6228%0.27830%0.304SS..EExtended strand (participates in β ladder)trans-81.5139.3169-168.7-4.2000109.7L356 S438L356-N436 HydrophobicContact CD2-CB 4.31Å; N436-S438 PolarHBondContact OD1-N 3.24Å; N436-S438 PolarHBondContact OD1-OG 3.32Å
437K42.4Very low48.6Very low181 Ų18162.2 Ų62.279%0.78731%0.308SS*.SBendtrans-84.2-19.6178.2-76.5-175175.8-179.60113.7
438S41.8Very low50.8Low73 Ų7362 Ų6251%0.5131%0.307SS..SBendtrans-106.7-28.7-161.9580000117.1Q355 N436Q355-S438 PolarHBondContact OE1-OG 3.46Å; N436-S438 PolarHBondContact OD1-N 3.24Å; N436-S438 PolarHBondContact OD1-OG 3.32Å
439Q38.3Very low52.7Low133 Ų13362.2 Ų62.262%0.62131%0.308SS*.SBendtrans-157.2127.2177.7-98.5172.320.800111.4
440N39.2Very low54.6Low142 Ų14261.3 Ų61.376%0.75930%0.304SS*.SBendtrans51.1131.5175.4-74.2-23.1000117.4S442N440-S442 PolarHBondContact O-N 2.75Å
441Q45.2Very low56.7Low184 Ų18461.3 Ų61.386%0.8630%0.304SS*.  trans-69.251.8-173.4-62.2179.40.200114.7R443Q441-R443 PolarHBondContact O-N 2.72Å; Q441-R443 VanDerWaalsContact O-N 3.07Å
442S48.7Very low59.1Low65 Ų6560.8 Ų60.846%0.45530%0.302SS..  trans-73.9100.1173.1-65.20000109.7N440 L444N440-S442 PolarHBondContact O-N 2.75Å; S442-L444 PolarHBondContact O-N 3.23Å
443R63Low61Low167 Ų16760.9 Ų60.963%0.6330%0.302SS*.  trans-82.896.5173.8-71.1-179.3178.5173.72.1109.6I433 Q441I433-R443 HydrophobicContact CG2-CB 4.06Å; I433-R443 HydrophobicContact CG2-CG 4.14Å; Q441-R443 PolarHBondContact O-N 2.72Å; Q441-R443 VanDerWaalsContact O-N 3.07Å
444L70.6Confident62.8Low20 Ų2060 Ų6011%0.10530%0.297CS..EExtended strand (participates in β ladder)trans-74.8139.8174.2-48.8-174.4000110L311 L315 F345 I433 L434 S442L311-L444 WeakPolarHBondContact O-CD1 3.39Å; L315-L444 HydrophobicContact CD2-CB 4.33Å; F345-L444 HydrophobicContact CE2-CD1 3.69Å; F345-L444 HydrophobicContact CZ-CD1 4.3Å; I433-L444 WeakPolarHBondContact CA-O 3.24Å; L434-L444 HydrophobicContact CB-CB 3.98Å; L434-L444 HydrophobicContact CB-CG 4.44Å; L434-L444 HydrophobicContact CD2-CD1 3.76Å; L434-L444 HydrophobicContact CD2-CG 4.34Å; L434-L444 PolarHBondContact N-O 3.42Å; L434-L444 PolarHBondContact O-N 3Å; S442-L444 PolarHBondContact O-N 3.23Å
445K72.8Confident64.8Low100 Ų10062.3 Ų62.344%0.43531%0.314SS..EExtended strand (participates in β ladder)trans-121.8125.3179.1-69.7-173.3179.5-174.10110.5D365 W432 I433D365-K445 IonicContact OD2-NZ 2.65Å; D365-K445 PolarHBondContact OD2-NZ 2.97Å; W432-K445 VanDerWaalsContact O-CA 3.27Å; W432-K445 WeakPolarHBondContact O-CA 3.49Å; I433-K445 HydrophobicContact CG1-CG 4.47Å
446A74.3Confident66.8Low6 Ų663.5 Ų63.55%0.0532%0.318CS..EExtended strand (participates in β ladder)trans-116.9144.3166.400000110.5L315 L343 N431 W432L315-A446 HydrophobicContact CB-CB 4.2Å; L315-A446 HydrophobicContact CD2-CB 3.68Å; L315-A446 HydrophobicContact CG-CB 3.59Å; L315-A446 WeakPolarHBondContact O-CB 3.16Å; L343-A446 HydrophobicContact CD2-CB 4.41Å; N431-A446 CarbonylContact C-O 3.59Å; N431-A446 WeakPolarHBondContact CA-O 3.24Å; W432-A446 PolarHBondContact N-O 3.42Å; W432-A446 PolarHBondContact O-N 3.45Å; W432-A446 VanDerWaalsContact O-N 3.16Å
447M73Confident68.7Low52 Ų5263.9 Ų63.926%0.25632%0.322SS..EExtended strand (participates in β ladder)trans-118.7135.5-177.3-53.7-167.7-67.800110.2W430 N431 P477 R478W430-M447 WeakPolarHBondContact O-CA 3.05Å; N431-M447 WeakPolarHBondContact OD1-CG 3.5Å; M447-P477 HydrophobicContact CE-CB 4.2Å; M447-P477 HydrophobicContact CE-CG 4.13Å; M447-R478 HydrophobicContact CE-CG 3.9Å; M447-R478 VanDerWaalsContact CE-NE 3.33Å; M447-R478 HydrophobicContact SD-CG 4.26Å; M447-R478 PolarHBondContact SD-NE 3.09Å; M447-R478 PolarHBondContact SD-NH2 3.43Å
448A78.3Confident70.8Confident1 Ų160.3 Ų60.31%0.00832%0.319CS..PPolyproline II helixtrans-72.1162.2168.100000110.7P321 W430P321-A448 HydrophobicContact CG-CB 3.9Å; W430-A448 HydrophobicContact CB-CB 3.92Å; W430-A448 PolarHBondContact O-N 2.94Å
449L80.2Confident72.8Confident17 Ų1759.1 Ų59.19%0.08931%0.305CS..PPolyproline II helixtrans-61.7153.2168.8-72.9173.7000110.4Q242 Q320 L331 L451Q242-L449 HydrophobicContact CB-CD1 4.01Å; Q242-L449 HydrophobicContact CG-CD1 4.26Å; Q320-L449 HydrophobicContact CG-CD1 4.22Å; L331-L449 HydrophobicContact CD1-CB 3.69Å; L331-L449 HydrophobicContact CD1-CD1 4.05Å; L331-L449 HydrophobicContact CD2-CB 3.82Å; L331-L449 HydrophobicContact CG-CB 4.42Å; L449-L451 PolarHBondContact O-N 3.38Å
450P78.9Confident75.1Confident0 Ų053.6 Ų53.60%028%0.28CS..PPolyproline II helixtrans-51124.7177.3-35.346.6000111.9C427 Y429 I467 Y470C427-P450 HydrophobicContact CB-CB 3.44Å; C427-P450 VanDerWaalsContact CB-CB 3.44Å; C427-P450 WeakPolarHBondContact SG-CB 3.45Å; Y429-P450 HydrophobicContact CE1-CG 4.2Å; P450-I467 WeakPolarHBondContact O-CD1 3.42Å; P450-Y470 HydrophobicContact CB-CD1 4.1Å; P450-Y470 HydrophobicContact CB-CD2 4.45Å; P450-Y470 HydrophobicContact CB-CE1 3.91Å; P450-Y470 HydrophobicContact CB-CE2 4.2Å; P450-Y470 HydrophobicContact CB-CG 4.41Å; P450-Y470 HydrophobicContact CG-CD1 4.06Å; P450-Y470 HydrophobicContact CG-CE1 3.4Å; P450-Y470 HydrophobicContact CG-CE2 4.18Å; P450-Y470 VanDerWaalsContact CG-CZ 3.47Å
451L82.1Confident77.5Confident0 Ų047.7 Ų47.70%025%0.249CC..EExtended strand (participates in β ladder)trans-118.7149-171.970.588.3000113.5P321 L331 L333 F362 C427 N428 W430 L449 V453P321-L451 HydrophobicContact CG-CD2 4.45Å; L331-L451 HydrophobicContact CB-CB 4.48Å; L331-L451 CarbonylContact O-C 3.59Å; L331-L451 VanDerWaalsContact O-CA 3.26Å; L331-L451 WeakPolarHBondContact O-CA 3.33Å; L331-L451 WeakPolarHBondContact O-CB 3.15Å; L333-L451 HydrophobicContact CD1-CD1 4.07Å; L333-L451 HydrophobicContact CD1-CD2 4.26Å; L333-L451 HydrophobicContact CG-CD1 4.5Å; F362-L451 HydrophobicContact CE2-CD1 4.02Å; F362-L451 HydrophobicContact CE2-CD2 4.06Å; F362-L451 HydrophobicContact CZ-CD1 4.06Å; C427-L451 CarbonylContact C-O 3.49Å; C427-L451 WeakPolarHBondContact CA-O 3.41Å; N428-L451 HydrophobicContact CB-CD1 3.91Å; N428-L451 HydrophobicContact CB-CG 4.17Å; N428-L451 PolarHBondContact N-O 2.89Å; N428-L451 PolarHBondContact ND2-O 3.41Å; N428-L451 PolarHBondContact O-N 2.66Å; W430-L451 HydrophobicContact CB-CD2 4.22Å; L449-L451 PolarHBondContact O-N 3.38Å; L451-V453 HydrophobicContact CD1-CG2 3.56Å
452V85.3Confident79.5Confident0 Ų040.1 Ų40.10%022%0.217CC..EExtended strand (participates in β ladder)trans-107.5125.8179.41740000110.4L331 V332 L333 S424 I454 I467L331-V452 PolarHBondContact O-N 3.46Å; V332-V452 CarbonylContact C-O 3.53Å; V332-V452 WeakPolarHBondContact CA-O 3.48Å; L333-V452 PolarHBondContact N-O 2.74Å; S424-V452 WeakPolarHBondContact O-CG1 3.37Å; V452-I454 HydrophobicContact CG1-CG2 4.14Å; V452-I467 HydrophobicContact CB-CD1 4.3Å; V452-I467 HydrophobicContact CG2-CD1 3.7Å; V452-I467 HydrophobicContact CG2-CG1 4.16Å
453V84.8Confident81.3Confident1 Ų137.1 Ų37.11%0.00620%0.196CC..EExtended strand (participates in β ladder)trans-99.5122.4175.9-174.40000111L333 T335 F362 R373 F375 L403 L451L333-V453 CarbonylContact O-C 3.58Å; L333-V453 VanDerWaalsContact O-CA 3.28Å; L333-V453 WeakPolarHBondContact O-CA 3.44Å; T335-V453 HydrophobicContact CG2-CG1 3.62Å; F362-V453 HydrophobicContact CZ-CG2 4.11Å; R373-V453 PolarHBondContact NH2-O 2.75Å; F375-V453 HydrophobicContact CD1-CG1 4Å; F375-V453 HydrophobicContact CE1-CB 4.24Å; F375-V453 HydrophobicContact CE1-CG1 3.51Å; F375-V453 HydrophobicContact CE2-CB 4.12Å; F375-V453 HydrophobicContact CE2-CG1 4.27Å; F375-V453 HydrophobicContact CE2-CG2 4.33Å; F375-V453 HydrophobicContact CZ-CB 3.86Å; F375-V453 HydrophobicContact CZ-CG1 3.65Å; F375-V453 HydrophobicContact CZ-CG2 4.49Å; L403-V453 HydrophobicContact CD1-CG1 4.34Å; L403-V453 HydrophobicContact CD1-CG2 3.73Å; L451-V453 HydrophobicContact CD1-CG2 3.56Å
454I86.9Confident82.6Confident1 Ų129.3 Ų29.31%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-110.6153.8179.863.8174.8000111.2V332 L333 K334 T335 V452 Q459 L460V332-I454 HydrophobicContact CG1-CD1 3.9Å; V332-I454 HydrophobicContact CG1-CG1 4.19Å; V332-I454 HydrophobicContact CG1-CG2 3.86Å; L333-I454 PolarHBondContact O-N 2.88Å; K334-I454 CarbonylContact C-O 3.58Å; K334-I454 WeakPolarHBondContact CA-O 3.34Å; K334-I454 HydrophobicContact CB-CD1 4.22Å; K334-I454 HydrophobicContact CB-CG1 3.84Å; K334-I454 HydrophobicContact CG-CG1 4.29Å; T335-I454 PolarHBondContact N-O 2.59Å; V452-I454 HydrophobicContact CG1-CG2 4.14Å; I454-Q459 HydrophobicContact CB-CB 4.05Å; I454-Q459 HydrophobicContact CG2-CB 3.86Å; I454-L460 HydrophobicContact CD1-CB 4.09Å; I454-L460 HydrophobicContact CD1-CD1 3.86Å
455S86.2Confident83.5Confident52 Ų5228.3 Ų28.336%0.36416%0.161SC..SBendtrans-100.6-31.3175.6-55.70000111.8
456N85.7Confident84.2Confident86 Ų8623.6 Ų23.646%0.4614%0.141SC..SBendtrans-128.1147-179.5-166.9-35.7000110.8C458 Q459N456-C458 PolarHBondContact O-N 3.49Å; N456-C458 PolarHBondContact OD1-N 3.32Å; N456-C458 VanDerWaalsContact OD1-N 3.12Å; N456-Q459 WeakPolarHBondContact O-CB 3.34Å; N456-Q459 PolarHBondContact O-N 3.41Å
457V85.2Confident84.8Confident60 Ų6023.3 Ų23.336%0.36414%0.139SC..G310 helixtrans-59.8-30176.8-175.50000111.7K334 Q459 L460K334-V457 HydrophobicContact CD-CG2 3.91Å; V457-Q459 PolarHBondContact O-N 2.88Å; V457-L460 WeakPolarHBondContact O-CB 3.42Å; V457-L460 PolarHBondContact O-N 3.04Å
458C85.2Confident85.6Confident107 Ų10721 Ų2172%0.72313%0.127SC*.G310 helixtrans-60.7-16.5175-55.50000113.6N456N456-C458 PolarHBondContact O-N 3.49Å; N456-C458 PolarHBondContact OD1-N 3.32Å; N456-C458 VanDerWaalsContact OD1-N 3.12Å
459Q84.7Confident86.2Confident47 Ų4721 Ų2122%0.2213%0.127CC..G310 helixtrans-89.5-10.2176.7-54.6176.3-71.200112.5S424 I454 N456 V457 S462 G463S424-Q459 PolarHBondContact OG-NE2 3.23Å; I454-Q459 HydrophobicContact CB-CB 4.05Å; I454-Q459 HydrophobicContact CG2-CB 3.86Å; N456-Q459 WeakPolarHBondContact O-CB 3.34Å; N456-Q459 PolarHBondContact O-N 3.41Å; V457-Q459 PolarHBondContact O-N 2.88Å; Q459-S462 PolarHBondContact O-N 2.97Å; Q459-G463 PolarHBondContact O-N 3.46Å
460L87.8Confident86.5Confident18 Ų1820.2 Ų20.29%0.09412%0.123CC..Hα-helixtrans-55.3-45.5-177.7-170.975.5000112.3M323 R329 V332 I454 V457 S462 G463 W464M323-L460 HydrophobicContact CE-CD1 4.26Å; R329-L460 HydrophobicContact CB-CD1 4.35Å; R329-L460 HydrophobicContact CG-CD2 4.36Å; V332-L460 HydrophobicContact CB-CD1 4.06Å; V332-L460 HydrophobicContact CG1-CD1 3.76Å; I454-L460 HydrophobicContact CD1-CB 4.09Å; I454-L460 HydrophobicContact CD1-CD1 3.86Å; V457-L460 WeakPolarHBondContact O-CB 3.42Å; V457-L460 PolarHBondContact O-N 3.04Å; L460-S462 PolarHBondContact O-N 3.25Å; L460-G463 PolarHBondContact O-N 3.3Å; L460-W464 WeakPolarHBondContact O-CB 3.3Å; L460-W464 PolarHBondContact O-N 3.37Å
461P87.8Confident86.9Confident17 Ų1720.5 Ų20.511%0.1112%0.124CC..Hα-helixtrans-61-43.7178.3-26.338.1000112.7W464 A465 W553 L554 E557P461-W464 PolarHBondContact O-N 2.86Å; P461-A465 PolarHBondContact O-N 2.99Å; P461-W553 PolarHBondContact O-NE1 3.18Å; P461-L554 HydrophobicContact CB-CD2 3.64Å; P461-E557 HydrophobicContact CB-CB 4.37Å; P461-E557 HydrophobicContact CB-CG 3.87Å; P461-E557 HydrophobicContact CG-CG 4.22Å; P461-E557 VanDerWaalsContact CG-OE2 3.3Å; P461-E557 WeakPolarHBondContact CG-OE2 3.48Å
462S87Confident87.1Confident26 Ų2621.8 Ų21.818%0.18213%0.131CC..Hα-helixtrans-70.4-38.3178.4-61.20000112.8Q459 L460 W464 A465 S466Q459-S462 PolarHBondContact O-N 2.97Å; L460-S462 PolarHBondContact O-N 3.25Å; S462-W464 VanDerWaalsContact C-N 3.32Å; S462-A465 WeakPolarHBondContact O-CB 3.34Å; S462-A465 PolarHBondContact O-N 3.48Å; S462-S466 PolarHBondContact O-N 3.3Å
463G86.8Confident87.1Confident1 Ų123.6 Ų23.61%0.0114%0.14CC..Hα-helixtrans-64.1-41.1175.500000111.3Q459 L460 S466 I467Q459-G463 PolarHBondContact O-N 3.46Å; L460-G463 PolarHBondContact O-N 3.3Å; G463-S466 WeakPolarHBondContact O-CB 3.34Å; G463-S466 PolarHBondContact O-N 2.62Å; G463-I467 PolarHBondContact O-N 3.49Å
464W90.4Very high86.9Confident3 Ų324.6 Ų24.61%0.01115%0.146CC..Hα-helixtrans-64-40.8174.7-176.2-114.9000112.6C245 R329 P330 V332 L460 P461 S462 S466 I467 L468 W553C245-W464 WeakPolarHBondContact O-CH2 3.43Å; R329-W464 HydrophobicContact CB-CE3 4.19Å; P330-W464 HydrophobicContact CG-CH2 4.09Å; P330-W464 HydrophobicContact CG-CZ3 4.01Å; P330-W464 VanDerWaalsContact O-CZ3 3.29Å; P330-W464 WeakPolarHBondContact O-CZ3 3.35Å; V332-W464 HydrophobicContact CG2-CB 4.45Å; V332-W464 HydrophobicContact CG2-CE3 4.16Å; L460-W464 WeakPolarHBondContact O-CB 3.3Å; L460-W464 PolarHBondContact O-N 3.37Å; P461-W464 PolarHBondContact O-N 2.86Å; S462-W464 VanDerWaalsContact C-N 3.32Å; W464-S466 PolarHBondContact O-N 3.29Å; W464-I467 HydrophobicContact CE3-CB 4.01Å; W464-I467 HydrophobicContact CE3-CG2 4Å; W464-I467 HydrophobicContact CH2-CG2 4.5Å; W464-I467 HydrophobicContact CZ3-CB 4.28Å; W464-I467 HydrophobicContact CZ3-CG2 3.74Å; W464-I467 WeakPolarHBondContact O-CA 3.45Å; W464-I467 WeakPolarHBondContact O-CB 3.48Å; W464-I467 PolarHBondContact O-N 2.99Å; W464-L468 HydrophobicContact CD2-CG 4.35Å; W464-L468 HydrophobicContact CG-CG 4.42Å; W464-L468 HydrophobicContact CH2-CD2 4.47Å; W464-L468 HydrophobicContact CZ2-CD2 3.65Å; W464-L468 HydrophobicContact CZ2-CG 4.36Å; W464-L468 WeakPolarHBondContact O-CG 3.36Å; W464-L468 PolarHBondContact O-N 3.43Å; W464-W553 AromaticContact CD1-CZ2 3.47Å; W464-W553 VanDerWaalsContact CD1-CZ2 3.47Å
465A89.3Confident86.1Confident0 Ų028.9 Ų28.90%017%0.173CC..Hα-helixtrans-54.9-39.8174.500000112.3P461 S462 L468 W469 W537 F540 C541 W553P461-A465 PolarHBondContact O-N 2.99Å; S462-A465 WeakPolarHBondContact O-CB 3.34Å; S462-A465 PolarHBondContact O-N 3.48Å; A465-L468 PolarHBondContact O-N 3.34Å; A465-W469 WeakPolarHBondContact O-CB 3.25Å; A465-W469 PolarHBondContact O-N 3.12Å; A465-W537 HydrophobicContact CB-CH2 4.06Å; A465-W537 HydrophobicContact CB-CZ3 4.4Å; A465-W537 WeakPolarHBondContact O-CZ3 3.37Å; A465-F540 HydrophobicContact CB-CE1 4.18Å; A465-C541 HydrophobicContact CB-CB 4.27Å; A465-C541 VanDerWaalsContact CB-SG 3.53Å; A465-W553 HydrophobicContact CB-CB 4.48Å; A465-W553 HydrophobicContact CB-CD2 4.37Å; A465-W553 HydrophobicContact CB-CG 3.77Å
466S87.4Confident85.1Confident1 Ų131.7 Ų31.71%0.00718%0.18CC..Hα-helixtrans-66.2-41.4175.2-67.60000111.9S462 G463 W464 W469 Y470 F483S462-S466 PolarHBondContact O-N 3.3Å; G463-S466 WeakPolarHBondContact O-CB 3.34Å; G463-S466 PolarHBondContact O-N 2.62Å; W464-S466 PolarHBondContact O-N 3.29Å; S466-W469 PolarHBondContact O-N 2.84Å; S466-Y470 WeakPolarHBondContact O-CB 3.33Å; S466-Y470 PolarHBondContact O-N 3.2Å; S466-F483 WeakPolarHBondContact O-CZ 3.43Å
467I88.5Confident83.8Confident0 Ų030.5 Ų30.50%018%0.177CC..Hα-helixtrans-63.1-44.1175.7-63.5-55.1000111.2I246 L331 V332 P450 V452 G463 W464 N471I246-I467 HydrophobicContact CG2-CG2 4.45Å; L331-I467 HydrophobicContact CB-CD1 3.71Å; L331-I467 HydrophobicContact CB-CG1 4.06Å; L331-I467 HydrophobicContact CB-CG2 4.08Å; L331-I467 HydrophobicContact CD1-CG2 3.88Å; V332-I467 HydrophobicContact CG2-CG1 3.73Å; P450-I467 WeakPolarHBondContact O-CD1 3.42Å; V452-I467 HydrophobicContact CB-CD1 4.3Å; V452-I467 HydrophobicContact CG2-CD1 3.7Å; V452-I467 HydrophobicContact CG2-CG1 4.16Å; G463-I467 PolarHBondContact O-N 3.49Å; W464-I467 HydrophobicContact CE3-CB 4.01Å; W464-I467 HydrophobicContact CE3-CG2 4Å; W464-I467 HydrophobicContact CH2-CG2 4.5Å; W464-I467 HydrophobicContact CZ3-CB 4.28Å; W464-I467 HydrophobicContact CZ3-CG2 3.74Å; W464-I467 WeakPolarHBondContact O-CA 3.45Å; W464-I467 WeakPolarHBondContact O-CB 3.48Å; W464-I467 PolarHBondContact O-N 2.99Å; I467-N471 VanDerWaalsContact CG2-ND2 3.28Å; I467-N471 WeakPolarHBondContact CG2-ND2 3.3Å; I467-N471 WeakPolarHBondContact O-CB 3.39Å; I467-N471 PolarHBondContact O-N 3.22Å; I467-N471 PolarHBondContact O-ND2 3.21Å; I467-N471 VanDerWaalsContact O-ND2 3.13Å
468L89.9Confident82.8Confident4 Ų434.7 Ų34.72%0.02119%0.186CC..Hα-helixtrans-57.8-51.3175.5-68.1-179.4000111.1I246 W464 A465 Y470 N471 M472 V497 Q501 W553I246-L468 HydrophobicContact CB-CD2 3.73Å; I246-L468 HydrophobicContact CG2-CD2 3.91Å; W464-L468 HydrophobicContact CD2-CG 4.35Å; W464-L468 HydrophobicContact CG-CG 4.42Å; W464-L468 HydrophobicContact CH2-CD2 4.47Å; W464-L468 HydrophobicContact CZ2-CD2 3.65Å; W464-L468 HydrophobicContact CZ2-CG 4.36Å; W464-L468 WeakPolarHBondContact O-CG 3.36Å; W464-L468 PolarHBondContact O-N 3.43Å; A465-L468 PolarHBondContact O-N 3.34Å; L468-Y470 PolarHBondContact O-N 3.1Å; L468-N471 PolarHBondContact O-N 3.02Å; L468-M472 WeakPolarHBondContact O-CB 3.39Å; L468-M472 PolarHBondContact O-N 3.45Å; L468-V497 HydrophobicContact CD2-CG1 4.05Å; L468-Q501 HydrophobicContact CD1-CG 4.27Å; L468-W553 HydrophobicContact CD1-CD2 4.42Å; L468-W553 HydrophobicContact CD1-CE3 4.17Å; L468-W553 HydrophobicContact CD1-CH2 3.54Å; L468-W553 HydrophobicContact CD1-CZ2 3.83Å; L468-W553 HydrophobicContact CD1-CZ3 3.7Å
469W89.3Confident82Confident0 Ų031.7 Ų31.70%016%0.163CC..Hα-helixtrans-66-39.8-176.5-151.6-97.3000113A465 S466 M472 L473 F482 F483 P487 A489 L494 I535 W537 F540A465-W469 WeakPolarHBondContact O-CB 3.25Å; A465-W469 PolarHBondContact O-N 3.12Å; S466-W469 PolarHBondContact O-N 2.84Å; W469-M472 HydrophobicContact CD2-CE 4.05Å; W469-M472 HydrophobicContact CE3-CE 3.78Å; W469-M472 HydrophobicContact CZ3-CE 4.03Å; W469-L473 HydrophobicContact CD2-CD1 4.28Å; W469-L473 HydrophobicContact CG-CD1 4.22Å; W469-L473 HydrophobicContact CZ2-CD1 4.38Å; W469-L473 VanDerWaalsContact NE1-CD1 3.27Å; W469-L473 WeakPolarHBondContact O-CG 3.32Å; W469-L473 PolarHBondContact O-N 2.85Å; W469-F482 AromaticContact CD1-CE1 3.8Å; W469-F482 AromaticContact CD1-CZ 3.91Å; W469-F483 HydrophobicContact CB-CE1 4.41Å; W469-P487 PolarHBondContact NE1-O 3.25Å; W469-A489 HydrophobicContact CH2-CB 3.53Å; W469-A489 HydrophobicContact CZ2-CB 3.62Å; W469-A489 HydrophobicContact CZ3-CB 4.11Å; W469-L494 HydrophobicContact CZ3-CD1 4.07Å; W469-L494 HydrophobicContact CZ3-CD2 4.32Å; W469-I535 HydrophobicContact CH2-CG2 4.23Å; W469-I535 WeakPolarHBondContact CH2-O 3.43Å; W469-I535 VanDerWaalsContact CZ2-O 3.3Å; W469-I535 WeakPolarHBondContact CZ2-O 3.49Å; W469-W537 HydrophobicContact CB-CE3 3.71Å; W469-W537 HydrophobicContact CB-CH2 4.41Å; W469-W537 HydrophobicContact CB-CZ3 3.47Å; W469-W537 VanDerWaalsContact CB-CZ3 3.47Å; W469-W537 AromaticContact CD1-CE3 3.75Å; W469-W537 HydrophobicContact CD2-CD2 4.47Å; W469-W537 AromaticContact CD2-CE3 3.41Å; W469-W537 HydrophobicContact CD2-CE3 3.41Å; W469-W537 VanDerWaalsContact CD2-CE3 3.41Å; W469-W537 AromaticContact CD2-CZ3 3.95Å; W469-W537 HydrophobicContact CD2-CZ3 3.95Å; W469-W537 AromaticContact CE2-CE3 3.86Å; W469-W537 AromaticContact CE3-CE3 3.87Å; W469-W537 HydrophobicContact CE3-CE3 3.87Å; W469-W537 HydrophobicContact CE3-CZ3 4.18Å; W469-W537 HydrophobicContact CG-CD2 4.3Å; W469-W537 AromaticContact CG-CE3 3.33Å; W469-W537 HydrophobicContact CG-CE3 3.33Å; W469-W537 AromaticContact CG-CZ3 3.66Å; W469-W537 HydrophobicContact CG-CZ3 3.66Å; W469-W537 HydrophobicContact CZ2-CB 4.16Å; W469-F540 HydrophobicContact CD2-CD1 4.44Å; W469-F540 HydrophobicContact CE3-CB 4.27Å; W469-F540 AromaticContact CE3-CD1 3.45Å; W469-F540 HydrophobicContact CE3-CD1 3.45Å; W469-F540 VanDerWaalsContact CE3-CD1 3.45Å; W469-F540 HydrophobicContact CE3-CD2 4.45Å; W469-F540 AromaticContact CE3-CE1 3.79Å; W469-F540 HydrophobicContact CE3-CE1 3.79Å; W469-F540 AromaticContact CE3-CG 3.82Å; W469-F540 HydrophobicContact CE3-CG 3.82Å; W469-F540 HydrophobicContact CE3-CZ 4.41Å; W469-F540 HydrophobicContact CH2-CB 3.87Å; W469-F540 HydrophobicContact CH2-CG 4.14Å; W469-F540 HydrophobicContact CZ3-CB 3.59Å; W469-F540 AromaticContact CZ3-CD1 3.53Å; W469-F540 HydrophobicContact CZ3-CD1 3.53Å; W469-F540 AromaticContact CZ3-CD2 3.77Å; W469-F540 HydrophobicContact CZ3-CD2 3.77Å; W469-F540 HydrophobicContact CZ3-CE1 4.09Å; W469-F540 HydrophobicContact CZ3-CE2 4.3Å; W469-F540 AromaticContact CZ3-CG 3.34Å; W469-F540 HydrophobicContact CZ3-CG 3.34Å; W469-F540 HydrophobicContact CZ3-CZ 4.44Å
470Y86.5Confident80.8Confident1 Ų131.4 Ų31.40%0.00416%0.163CC..Hα-helixtrans-64.3-53.4177.3-171.2-77.1000110.6P450 S466 L468 M472 L473 T474 E476 N479 F482P450-Y470 HydrophobicContact CB-CD1 4.1Å; P450-Y470 HydrophobicContact CB-CD2 4.45Å; P450-Y470 HydrophobicContact CB-CE1 3.91Å; P450-Y470 HydrophobicContact CB-CE2 4.2Å; P450-Y470 HydrophobicContact CB-CG 4.41Å; P450-Y470 HydrophobicContact CG-CD1 4.06Å; P450-Y470 HydrophobicContact CG-CE1 3.4Å; P450-Y470 HydrophobicContact CG-CE2 4.18Å; P450-Y470 VanDerWaalsContact CG-CZ 3.47Å; S466-Y470 WeakPolarHBondContact O-CB 3.33Å; S466-Y470 PolarHBondContact O-N 3.2Å; L468-Y470 PolarHBondContact O-N 3.1Å; Y470-M472 VanDerWaalsContact C-N 3.28Å; Y470-M472 PolarHBondContact O-N 3.25Å; Y470-L473 PolarHBondContact O-N 3.26Å; Y470-T474 HydrophobicContact CE1-CG2 4.5Å; Y470-T474 PolarHBondContact O-N 3.41Å; Y470-T474 VanDerWaalsContact O-N 3.12Å; Y470-E476 PolarHBondContact OH-O 3.48Å; Y470-N479 HydrophobicContact CE2-CB 4.3Å; Y470-N479 PolarHBondContact OH-N 3.08Å; Y470-F482 HydrophobicContact CD2-CB 3.92Å; Y470-F482 AromaticContact CD2-CD1 3.69Å; Y470-F482 HydrophobicContact CD2-CD1 3.69Å; Y470-F482 HydrophobicContact CD2-CD2 4.17Å; Y470-F482 HydrophobicContact CD2-CE1 4.19Å; Y470-F482 AromaticContact CD2-CG 3.66Å; Y470-F482 HydrophobicContact CD2-CG 3.66Å; Y470-F482 HydrophobicContact CE2-CB 3.79Å; Y470-F482 HydrophobicContact CE2-CD1 4.39Å; Y470-F482 HydrophobicContact CE2-CD2 4.26Å; Y470-F482 AromaticContact CE2-CG 3.9Å; Y470-F482 HydrophobicContact CE2-CG 3.9Å
471N87.2Confident79.8Confident5 Ų536.3 Ų36.33%0.02718%0.183CC..Hα-helixtrans-73.8-19.7-173.3-72.2-44000113.2Q242 I246 I467 L468Q242-N471 HydrophobicContact CG-CB 3.64Å; Q242-N471 WeakPolarHBondContact CG-OD1 3.41Å; Q242-N471 VanDerWaalsContact NE2-C 3.34Å; Q242-N471 PolarHBondContact NE2-O 3.21Å; I246-N471 HydrophobicContact CG2-CB 3.68Å; I467-N471 VanDerWaalsContact CG2-ND2 3.28Å; I467-N471 WeakPolarHBondContact CG2-ND2 3.3Å; I467-N471 WeakPolarHBondContact O-CB 3.39Å; I467-N471 PolarHBondContact O-N 3.22Å; I467-N471 PolarHBondContact O-ND2 3.21Å; I467-N471 VanDerWaalsContact O-ND2 3.13Å; L468-N471 PolarHBondContact O-N 3.02Å
472M87.3Confident79.2Confident27 Ų2735.9 Ų35.913%0.13318%0.18CC..Hα-helixtrans-75.3-37.6173179-179.761.200112.3L468 W469 Y470 A489 Q493 L494 V497L468-M472 WeakPolarHBondContact O-CB 3.39Å; L468-M472 PolarHBondContact O-N 3.45Å; W469-M472 HydrophobicContact CD2-CE 4.05Å; W469-M472 HydrophobicContact CE3-CE 3.78Å; W469-M472 HydrophobicContact CZ3-CE 4.03Å; Y470-M472 VanDerWaalsContact C-N 3.28Å; Y470-M472 PolarHBondContact O-N 3.25Å; M472-A489 HydrophobicContact CE-CB 3.31Å; M472-A489 HydrophobicContact SD-CB 4.35Å; M472-Q493 HydrophobicContact CG-CB 4.23Å; M472-Q493 HydrophobicContact SD-CB 4.21Å; M472-L494 HydrophobicContact CE-CD1 4.13Å; M472-L494 HydrophobicContact SD-CB 4.19Å; M472-L494 HydrophobicContact SD-CD1 4.02Å; M472-V497 HydrophobicContact CB-CG2 4.36Å; M472-V497 HydrophobicContact CG-CG2 4.02Å; M472-V497 HydrophobicContact SD-CB 4.38Å; M472-V497 HydrophobicContact SD-CG2 3.93Å
473L85.3Confident78.6Confident39 Ų3936 Ų3620%0.20418%0.177CC..Hα-helixtrans-107-11.4-165.3-61.3179.3000114.9W469 Y470 F482 P487 A489W469-L473 HydrophobicContact CD2-CD1 4.28Å; W469-L473 HydrophobicContact CG-CD1 4.22Å; W469-L473 HydrophobicContact CZ2-CD1 4.38Å; W469-L473 VanDerWaalsContact NE1-CD1 3.27Å; W469-L473 WeakPolarHBondContact O-CG 3.32Å; W469-L473 PolarHBondContact O-N 2.85Å; Y470-L473 PolarHBondContact O-N 3.26Å; L473-F482 HydrophobicContact CB-CE2 4.4Å; L473-F482 HydrophobicContact CB-CZ 4.2Å; L473-F482 HydrophobicContact CD1-CZ 4.39Å; L473-P487 HydrophobicContact CB-CG 4.15Å; L473-P487 HydrophobicContact CD1-CB 4.31Å; L473-P487 HydrophobicContact CD1-CG 3.82Å; L473-P487 WeakPolarHBondContact CD1-O 3.4Å; L473-A489 HydrophobicContact CD1-CB 4.14Å; L473-A489 HydrophobicContact CD2-CB 3.91Å; L473-A489 HydrophobicContact CG-CB 4.5Å
474T80.1Confident78Confident22 Ų2241.6 Ų41.614%0.13521%0.206CC..  trans-145.4127.4-172.7-65.90000111.4Q242 Y470 E476 F482Q242-T474 PolarHBondContact NE2-O 3.14Å; Y470-T474 HydrophobicContact CE1-CG2 4.5Å; Y470-T474 PolarHBondContact O-N 3.41Å; Y470-T474 VanDerWaalsContact O-N 3.12Å; T474-E476 HydrophobicContact CG2-CB 3.58Å; T474-E476 HydrophobicContact CG2-CG 4.03Å; T474-E476 VanDerWaalsContact CG2-N 3.33Å; T474-F482 VanDerWaalsContact OG1-CE2 3.27Å; T474-F482 WeakPolarHBondContact OG1-CE2 3.24Å
475T69.8Low77.3Confident91 Ų9146.1 Ų46.156%0.55824%0.238SC*.  trans-90.5-8.1172.451.30000112.4Q239 P477Q239-T475 HydrophobicContact CG-CG2 4.26Å; T475-P477 WeakPolarHBondContact O-CD 3.42Å
476E66.6Low76.9Confident111 Ų11147.9 Ų47.952%0.51925%0.249SC..  trans-67.9124.8177.8-62.6-174.5165.600111Y470 T474 R478Y470-E476 PolarHBondContact OH-O 3.48Å; T474-E476 HydrophobicContact CG2-CB 3.58Å; T474-E476 HydrophobicContact CG2-CG 4.03Å; T474-E476 VanDerWaalsContact CG2-N 3.33Å; E476-R478 PolarHBondContact O-N 3.21Å
477P58.8Low76.8Confident60 Ų6050.2 Ų50.239%0.3927%0.265SS..SBendtrans-77.2-5.6177.330.2-34.3000112.9Y429 M447 T475Y429-P477 WeakPolarHBondContact CE1-O 3.39Å; M447-P477 HydrophobicContact CE-CB 4.2Å; M447-P477 HydrophobicContact CE-CG 4.13Å; T475-P477 WeakPolarHBondContact O-CD 3.42Å
478R63.3Low76.8Confident148 Ų14853 Ų5356%0.55828%0.284SS*.  trans-131.159.9-172.6-72.4-169.7179.91717.4114.7Y429 M447 E476Y429-R478 WeakPolarHBondContact OH-CA 3.46Å; M447-R478 HydrophobicContact CE-CG 3.9Å; M447-R478 VanDerWaalsContact CE-NE 3.33Å; M447-R478 HydrophobicContact SD-CG 4.26Å; M447-R478 PolarHBondContact SD-NE 3.09Å; M447-R478 PolarHBondContact SD-NH2 3.43Å; E476-R478 PolarHBondContact O-N 3.21Å
479N67.3Low76.7Confident45 Ų4552.8 Ų52.824%0.24128%0.283CS..  trans-122.284.5169.7-161.6-17.1000114.7Y429 Y470 K481 F482Y429-N479 VanDerWaalsContact OH-C 3.24Å; Y429-N479 WeakPolarHBondContact OH-CA 3.37Å; Y429-N479 PolarHBondContact OH-N 3.39Å; Y470-N479 HydrophobicContact CE2-CB 4.3Å; Y470-N479 PolarHBondContact OH-N 3.08Å; N479-K481 PolarHBondContact O-N 3.5Å; N479-K481 PolarHBondContact OD1-N 3.42Å; N479-F482 HydrophobicContact CB-CB 4.34Å; N479-F482 WeakPolarHBondContact O-CB 3.4Å; N479-F482 PolarHBondContact O-N 3.42Å; N479-F482 PolarHBondContact OD1-N 3.35Å
480L60.6Low76.7Confident40 Ų4057.1 Ų57.121%0.20930%0.302CS..THydrogen-bonded Turntrans-68.6-19.8176.5-67.1175.1000113V366 C427 Y429V366-L480 HydrophobicContact CB-CD1 4.28Å; V366-L480 HydrophobicContact CG1-CD1 3.46Å; V366-L480 VanDerWaalsContact CG1-CD1 3.46Å; V366-L480 HydrophobicContact CG2-CD1 3.95Å; C427-L480 WeakPolarHBondContact O-CD2 3.43Å; Y429-L480 HydrophobicContact CD2-CD1 4.24Å; Y429-L480 HydrophobicContact CD2-CD2 3.82Å; Y429-L480 HydrophobicContact CD2-CG 4.14Å; Y429-L480 HydrophobicContact CE1-CD2 4.28Å; Y429-L480 HydrophobicContact CE2-CD1 3.6Å; Y429-L480 HydrophobicContact CE2-CD2 3.21Å; Y429-L480 HydrophobicContact CE2-CG 3.2Å; Y429-L480 VanDerWaalsContact CZ-CD2 3.42Å; Y429-L480 WeakPolarHBondContact OH-CD2 3.4Å; Y429-L480 VanDerWaalsContact OH-CG 3.3Å; Y429-L480 WeakPolarHBondContact OH-CG 3.33Å; Y429-L480 PolarHBondContact OH-N 3.02Å
481K66.9Low76.9Confident122 Ų12257.6 Ų57.653%0.5330%0.304SS..THydrogen-bonded Turntrans-93.81.7-175.7-66.9-173.4-176.8175.80112.2N479 F483 L484N479-K481 PolarHBondContact O-N 3.5Å; N479-K481 PolarHBondContact OD1-N 3.42Å; K481-F483 VanDerWaalsContact C-N 3.26Å; K481-F483 PolarHBondContact O-N 3Å; K481-F483 VanDerWaalsContact O-N 3.16Å; K481-L484 HydrophobicContact CB-CD1 3.82Å; K481-L484 HydrophobicContact CB-CG 4.31Å; K481-L484 HydrophobicContact CD-CD1 4.15Å; K481-L484 HydrophobicContact CG-CD1 3.74Å; K481-L484 VanDerWaalsContact O-CB 3.26Å; K481-L484 WeakPolarHBondContact O-CB 3.38Å; K481-L484 PolarHBondContact O-N 2.62Å
482F74.4Confident76.9Confident7 Ų759.3 Ų59.33%0.03132%0.316CS..G310 helixtrans-49.1-46.5-176.8-179.7-96.1000112.6W469 Y470 L473 T474 N479 L484 S485 P486 P487W469-F482 AromaticContact CD1-CE1 3.8Å; W469-F482 AromaticContact CD1-CZ 3.91Å; Y470-F482 HydrophobicContact CD2-CB 3.92Å; Y470-F482 AromaticContact CD2-CD1 3.69Å; Y470-F482 HydrophobicContact CD2-CD1 3.69Å; Y470-F482 HydrophobicContact CD2-CD2 4.17Å; Y470-F482 HydrophobicContact CD2-CE1 4.19Å; Y470-F482 AromaticContact CD2-CG 3.66Å; Y470-F482 HydrophobicContact CD2-CG 3.66Å; Y470-F482 HydrophobicContact CE2-CB 3.79Å; Y470-F482 HydrophobicContact CE2-CD1 4.39Å; Y470-F482 HydrophobicContact CE2-CD2 4.26Å; Y470-F482 AromaticContact CE2-CG 3.9Å; Y470-F482 HydrophobicContact CE2-CG 3.9Å; L473-F482 HydrophobicContact CB-CE2 4.4Å; L473-F482 HydrophobicContact CB-CZ 4.2Å; L473-F482 HydrophobicContact CD1-CZ 4.39Å; T474-F482 VanDerWaalsContact OG1-CE2 3.27Å; T474-F482 WeakPolarHBondContact OG1-CE2 3.24Å; N479-F482 HydrophobicContact CB-CB 4.34Å; N479-F482 WeakPolarHBondContact O-CB 3.4Å; N479-F482 PolarHBondContact O-N 3.42Å; N479-F482 PolarHBondContact OD1-N 3.35Å; F482-L484 VanDerWaalsContact C-N 3.32Å; F482-L484 PolarHBondContact O-N 3.32Å; F482-S485 CarbonylContact O-C 3.19Å; F482-S485 VanDerWaalsContact O-C 3.3Å; F482-S485 PolarHBondContact O-N 3.47Å; F482-P486 VanDerWaalsContact O-CA 3.28Å; F482-P486 WeakPolarHBondContact O-CA 3.39Å; F482-P487 HydrophobicContact CD2-CG 4.44Å; F482-P487 VanDerWaalsContact CE2-CD 3.46Å; F482-P487 HydrophobicContact CE2-CG 3.51Å; F482-P487 HydrophobicContact CZ-CG 3.79Å
483F75.8Confident77Confident29 Ų2961.9 Ų61.913%0.12733%0.328CS..G310 helixtrans-81.81.4179.6-68-70.3000115.6R425 S466 W469 K481 P486 W537R425-F483 VanDerWaalsContact O-CD2 3.25Å; R425-F483 WeakPolarHBondContact O-CD2 3.09Å; S466-F483 WeakPolarHBondContact O-CZ 3.43Å; W469-F483 HydrophobicContact CB-CE1 4.41Å; K481-F483 VanDerWaalsContact C-N 3.26Å; K481-F483 PolarHBondContact O-N 3Å; K481-F483 VanDerWaalsContact O-N 3.16Å; F483-P486 HydrophobicContact CD1-CB 4.43Å; F483-W537 HydrophobicContact CD1-CD2 4.44Å; F483-W537 AromaticContact CD1-CE2 3.96Å; F483-W537 HydrophobicContact CD1-CZ2 4.12Å; F483-W537 HydrophobicContact CE1-CD2 4.17Å; F483-W537 AromaticContact CE1-CE2 3.87Å; F483-W537 HydrophobicContact CE1-CE3 4.36Å; F483-W537 AromaticContact CE1-CH2 3.97Å; F483-W537 HydrophobicContact CE1-CH2 3.97Å; F483-W537 AromaticContact CE1-CZ2 3.77Å; F483-W537 HydrophobicContact CE1-CZ2 3.77Å; F483-W537 HydrophobicContact CE1-CZ3 4.27Å
484L74.2Confident77.2Confident118 Ų11860.1 Ų60.162%0.61832%0.318SS*.G310 helixtrans-74.6-38.6168.8-62.1180000110.8K481 F482K481-L484 HydrophobicContact CB-CD1 3.82Å; K481-L484 HydrophobicContact CB-CG 4.31Å; K481-L484 HydrophobicContact CD-CD1 4.15Å; K481-L484 HydrophobicContact CG-CD1 3.74Å; K481-L484 VanDerWaalsContact O-CB 3.26Å; K481-L484 WeakPolarHBondContact O-CB 3.38Å; K481-L484 PolarHBondContact O-N 2.62Å; F482-L484 VanDerWaalsContact C-N 3.32Å; F482-L484 PolarHBondContact O-N 3.32Å
485S75.1Confident77.7Confident98 Ų9859.7 Ų59.769%0.68532%0.317SS*.SBendtrans-137.872.3176.356.30000109F482F482-S485 CarbonylContact O-C 3.19Å; F482-S485 VanDerWaalsContact O-C 3.3Å; F482-S485 PolarHBondContact O-N 3.47Å
486P80.8Confident78.7Confident37 Ų3760.5 Ų60.524%0.2431%0.314CS..PPolyproline II helixtrans-67128.6-17325.8-32.5000110.6F482 F483 W537F482-P486 VanDerWaalsContact O-CA 3.28Å; F482-P486 WeakPolarHBondContact O-CA 3.39Å; F483-P486 HydrophobicContact CD1-CB 4.43Å; P486-W537 HydrophobicContact CB-CB 3.73Å; P486-W537 HydrophobicContact CB-CG 3.98Å; P486-W537 HydrophobicContact CG-CB 3.73Å; P486-W537 HydrophobicContact CG-CG 3.92Å
487P85.9Confident79.8Confident51 Ų5155.5 Ų55.533%0.33129%0.291SS..PPolyproline II helixtrans-64.3152175.924.7-30.4000111W469 L473 F482W469-P487 PolarHBondContact NE1-O 3.25Å; L473-P487 HydrophobicContact CB-CG 4.15Å; L473-P487 HydrophobicContact CD1-CB 4.31Å; L473-P487 HydrophobicContact CD1-CG 3.82Å; L473-P487 WeakPolarHBondContact CD1-O 3.4Å; F482-P487 HydrophobicContact CD2-CG 4.44Å; F482-P487 VanDerWaalsContact CE2-CD 3.46Å; F482-P487 HydrophobicContact CE2-CG 3.51Å; F482-P487 HydrophobicContact CZ-CG 3.79Å
488S87.4Confident81.4Confident58 Ų5852.7 Ų52.741%0.40627%0.273SS..PPolyproline II helixtrans-77.2138.8171.6-61.90000110I535S488-I535 WeakPolarHBondContact CA-O 3.26Å
489A88.3Confident82.7Confident0 Ų046.8 Ų46.80%025%0.254CS..EExtended strand (participates in β ladder)trans-87.9143.7177.400000111.2W469 M472 L473 T534 I535W469-A489 HydrophobicContact CH2-CB 3.53Å; W469-A489 HydrophobicContact CZ2-CB 3.62Å; W469-A489 HydrophobicContact CZ3-CB 4.11Å; M472-A489 HydrophobicContact CE-CB 3.31Å; M472-A489 HydrophobicContact SD-CB 4.35Å; L473-A489 HydrophobicContact CD1-CB 4.14Å; L473-A489 HydrophobicContact CD2-CB 3.91Å; L473-A489 HydrophobicContact CG-CB 4.5Å; A489-T534 CarbonylContact O-C 3.58Å; A489-T534 WeakPolarHBondContact O-CA 3.4Å; A489-I535 PolarHBondContact N-O 2.94Å; A489-I535 PolarHBondContact O-N 2.77Å
490K90.1Very high83.9Confident90 Ų9047.1 Ų47.139%0.39125%0.252SS..EExtended strand (participates in β ladder)trans-74.1145.3167.2-67.7-171.5172.2-157.70110.2S492 Q493 L494 D532 G533K490-S492 VanDerWaalsContact C-N 3.33Å; K490-S492 PolarHBondContact O-N 3.29Å; K490-Q493 HydrophobicContact CB-CG 4.43Å; K490-Q493 PolarHBondContact O-N 2.96Å; K490-L494 PolarHBondContact O-N 3.24Å; K490-D532 IonicContact NZ-OD1 2.9Å; K490-D532 PolarHBondContact NZ-OD1 2.85Å; K490-G533 CarbonylContact C-O 3.42Å
491W89.8Confident85.4Confident11 Ų1145.2 Ų45.24%0.04224%0.242CC..Hα-helixtrans-61.7-40.3177.9174.2-114.7000112.4Q493 L494 S495 L498 L515 L518 A519 L522 L523 G533 I535W491-Q493 VanDerWaalsContact C-N 3.27Å; W491-Q493 PolarHBondContact O-N 2.93Å; W491-L494 HydrophobicContact CE3-CB 4.44Å; W491-L494 HydrophobicContact CE3-CD2 4.41Å; W491-L494 HydrophobicContact CZ3-CD2 4.4Å; W491-L494 PolarHBondContact O-N 3.44Å; W491-S495 VanDerWaalsContact O-CB 3.3Å; W491-S495 WeakPolarHBondContact O-CB 3.4Å; W491-S495 PolarHBondContact O-N 3.01Å; W491-S495 PolarHBondContact O-OG 3.09Å; W491-S495 VanDerWaalsContact O-OG 3.08Å; W491-L498 HydrophobicContact CH2-CD1 4.22Å; W491-L498 HydrophobicContact CZ3-CD1 4.08Å; W491-L515 HydrophobicContact CZ2-CB 4.26Å; W491-L515 WeakPolarHBondContact CZ2-O 3.43Å; W491-L518 HydrophobicContact CH2-CB 3.79Å; W491-A519 HydrophobicContact CD2-CB 4.01Å; W491-A519 HydrophobicContact CH2-CB 4.15Å; W491-A519 HydrophobicContact CZ2-CB 3.47Å; W491-A519 VanDerWaalsContact CZ2-CB 3.47Å; W491-L522 HydrophobicContact CE3-CD1 4.46Å; W491-L522 HydrophobicContact CZ3-CD1 3.86Å; W491-L523 HydrophobicContact CB-CD1 4.06Å; W491-L523 HydrophobicContact CG-CD1 4.15Å; W491-G533 PolarHBondContact N-O 3.16Å; W491-I535 HydrophobicContact CB-CD1 4.33Å; W491-I535 HydrophobicContact CD2-CD1 4.45Å; W491-I535 HydrophobicContact CE3-CD1 3.57Å; W491-I535 HydrophobicContact CZ3-CD1 4.33Å
492S87.3Confident86.5Confident41 Ų4139.4 Ų39.429%0.28722%0.217SC..Hα-helixtrans-54.2-41.7175.554.80000113.3K490 S495 P531K490-S492 VanDerWaalsContact C-N 3.33Å; K490-S492 PolarHBondContact O-N 3.29Å; S492-S495 PolarHBondContact O-OG 3.31Å; S492-P531 PolarHBondContact N-O 2.58Å; S492-P531 PolarHBondContact OG-O 2.66Å
493Q89.1Confident87.1Confident81 Ų8141.5 Ų41.538%0.37923%0.233SC..Hα-helixtrans-74.1-42.3177.5-66.2176.4-22.800111.8M472 K490 W491 V497M472-Q493 HydrophobicContact CG-CB 4.23Å; M472-Q493 HydrophobicContact SD-CB 4.21Å; K490-Q493 HydrophobicContact CB-CG 4.43Å; K490-Q493 PolarHBondContact O-N 2.96Å; W491-Q493 VanDerWaalsContact C-N 3.27Å; W491-Q493 PolarHBondContact O-N 2.93Å; Q493-V497 WeakPolarHBondContact O-CG2 3.43Å; Q493-V497 PolarHBondContact O-N 3.12Å
494L90.1Very high87.5Confident2 Ų242.6 Ų42.61%0.0124%0.243CC..Hα-helixtrans-69.8-36.4-177.6-175.762.8000112.3W469 M472 K490 W491 V497 L498 L522 I535 F540W469-L494 HydrophobicContact CZ3-CD1 4.07Å; W469-L494 HydrophobicContact CZ3-CD2 4.32Å; M472-L494 HydrophobicContact CE-CD1 4.13Å; M472-L494 HydrophobicContact SD-CB 4.19Å; M472-L494 HydrophobicContact SD-CD1 4.02Å; K490-L494 PolarHBondContact O-N 3.24Å; W491-L494 HydrophobicContact CE3-CB 4.44Å; W491-L494 HydrophobicContact CE3-CD2 4.41Å; W491-L494 HydrophobicContact CZ3-CD2 4.4Å; W491-L494 PolarHBondContact O-N 3.44Å; L494-V497 PolarHBondContact O-N 3.37Å; L494-L498 HydrophobicContact CD1-CG 4.39Å; L494-L498 HydrophobicContact CG-CD1 4.1Å; L494-L498 HydrophobicContact CG-CG 4.3Å; L494-L498 WeakPolarHBondContact O-CB 2.95Å; L494-L498 VanDerWaalsContact O-CG 3.25Å; L494-L498 WeakPolarHBondContact O-CG 3.47Å; L494-L498 PolarHBondContact O-N 3.03Å; L494-L522 HydrophobicContact CD2-CD1 4.05Å; L494-I535 HydrophobicContact CD2-CD1 3.65Å; L494-I535 HydrophobicContact CD2-CG2 4.4Å; L494-F540 HydrophobicContact CD1-CD2 4.39Å; L494-F540 HydrophobicContact CD1-CE2 3.89Å; L494-F540 HydrophobicContact CD1-CZ 4.33Å; L494-F540 HydrophobicContact CD2-CD2 4.23Å; L494-F540 HydrophobicContact CD2-CE2 4.4Å
495S89.6Confident88Confident14 Ų1437.9 Ų37.910%0.09822%0.22CC..Hα-helixtrans-63.8-42.2-18062.90000111.6W491 S492 L498 S499W491-S495 VanDerWaalsContact O-CB 3.3Å; W491-S495 WeakPolarHBondContact O-CB 3.4Å; W491-S495 PolarHBondContact O-N 3.01Å; W491-S495 PolarHBondContact O-OG 3.09Å; W491-S495 VanDerWaalsContact O-OG 3.08Å; S492-S495 PolarHBondContact O-OG 3.31Å; S495-L498 PolarHBondContact O-N 3.29Å; S495-S499 PolarHBondContact O-N 3.41Å
496E90.3Very high88.5Confident107 Ų10733.8 Ų33.850%0.519%0.19SC..Hα-helixtrans-60.9-50.5172.8-72.1179.8-17200111.3L498 S499 W500E496-L498 VanDerWaalsContact C-N 3.28Å; E496-L498 PolarHBondContact O-N 2.98Å; E496-S499 WeakPolarHBondContact O-CB 3.46Å; E496-S499 PolarHBondContact O-N 2.91Å; E496-W500 HydrophobicContact CB-CZ2 4.15Å; E496-W500 VanDerWaalsContact O-CG 3.24Å; E496-W500 PolarHBondContact O-N 3.23Å
497V91.3Very high88.5Confident6 Ų638.6 Ų38.64%0.03621%0.208CC..Hα-helixtrans-60.4-39.2179.4173.30000111.5I246 L468 M472 Q493 L494 W500 Q501I246-V497 HydrophobicContact CD1-CG1 4.37Å; I246-V497 HydrophobicContact CD1-CG2 3.95Å; L468-V497 HydrophobicContact CD2-CG1 4.05Å; M472-V497 HydrophobicContact CB-CG2 4.36Å; M472-V497 HydrophobicContact CG-CG2 4.02Å; M472-V497 HydrophobicContact SD-CB 4.38Å; M472-V497 HydrophobicContact SD-CG2 3.93Å; Q493-V497 WeakPolarHBondContact O-CG2 3.43Å; Q493-V497 PolarHBondContact O-N 3.12Å; L494-V497 PolarHBondContact O-N 3.37Å; V497-W500 HydrophobicContact CB-CE3 4.37Å; V497-W500 HydrophobicContact CG2-CE3 3.91Å; V497-W500 HydrophobicContact CG2-CZ3 3.8Å; V497-W500 WeakPolarHBondContact O-CB 3.4Å; V497-W500 PolarHBondContact O-N 3.15Å; V497-Q501 VanDerWaalsContact O-CG 3.32Å; V497-Q501 WeakPolarHBondContact O-CG 3.3Å; V497-Q501 PolarHBondContact O-N 2.87Å; V497-Q501 VanDerWaalsContact O-N 3.13Å; V497-Q501 PolarHBondContact O-NE2 3.03Å
498L91.4Very high88.4Confident1 Ų139.4 Ų39.41%0.00520%0.204CC..Hα-helixtrans-63.1-46.8174.1-74.2171.9000110.8W491 L494 S495 E496 W500 Q501 F502 L510 F552 W553 I556W491-L498 HydrophobicContact CH2-CD1 4.22Å; W491-L498 HydrophobicContact CZ3-CD1 4.08Å; L494-L498 HydrophobicContact CD1-CG 4.39Å; L494-L498 HydrophobicContact CG-CD1 4.1Å; L494-L498 HydrophobicContact CG-CG 4.3Å; L494-L498 WeakPolarHBondContact O-CB 2.95Å; L494-L498 VanDerWaalsContact O-CG 3.25Å; L494-L498 WeakPolarHBondContact O-CG 3.47Å; L494-L498 PolarHBondContact O-N 3.03Å; S495-L498 PolarHBondContact O-N 3.29Å; E496-L498 VanDerWaalsContact C-N 3.28Å; E496-L498 PolarHBondContact O-N 2.98Å; L498-W500 VanDerWaalsContact C-N 3.27Å; L498-W500 PolarHBondContact O-N 3.38Å; L498-Q501 WeakPolarHBondContact O-CB 3.36Å; L498-Q501 PolarHBondContact O-N 2.54Å; L498-F502 WeakPolarHBondContact O-CD2 3.37Å; L498-F502 PolarHBondContact O-N 3.23Å; L498-L510 HydrophobicContact CB-CD1 4.14Å; L498-F552 HydrophobicContact CD1-CE1 4.21Å; L498-F552 HydrophobicContact CD1-CZ 4.31Å; L498-F552 HydrophobicContact CD2-CE1 4.29Å; L498-W553 HydrophobicContact CD2-CE3 4.37Å; L498-W553 HydrophobicContact CD2-CZ3 4.07Å; L498-I556 HydrophobicContact CD2-CG2 4.46Å
499S92Very high88.4Confident25 Ų2537.5 Ų37.518%0.17519%0.194CC..Hα-helixtrans-57.3-42.4176.3-165.30000111.7S495 E496 Q501 F502 S503 L510S495-S499 PolarHBondContact O-N 3.41Å; E496-S499 WeakPolarHBondContact O-CB 3.46Å; E496-S499 PolarHBondContact O-N 2.91Å; S499-Q501 VanDerWaalsContact C-N 3.28Å; S499-Q501 PolarHBondContact O-N 3.4Å; S499-F502 PolarHBondContact O-N 3.28Å; S499-S503 PolarHBondContact O-N 3.26Å; S499-S503 PolarHBondContact O-OG 3.42Å; S499-L510 PolarHBondContact OG-N 3.38Å
500W90.8Very high88.4Confident52 Ų5238.2 Ų38.220%0.19720%0.198CC..Hα-helixtrans-60.1-32.2174.3-64.9-15.2000113.7I243 I246 G247 G248 E496 V497 L498 F502 S503 S504I243-W500 HydrophobicContact CG2-CE3 4.43Å; I243-W500 HydrophobicContact CG2-CH2 3.61Å; I243-W500 HydrophobicContact CG2-CZ2 4.34Å; I243-W500 HydrophobicContact CG2-CZ3 3.65Å; I246-W500 HydrophobicContact CD1-CE3 4.34Å; I246-W500 HydrophobicContact CD1-CZ3 4.12Å; I246-W500 HydrophobicContact CG1-CE3 4.34Å; I246-W500 HydrophobicContact CG1-CZ3 4.41Å; G247-W500 WeakPolarHBondContact O-CB 3.43Å; G248-W500 VanDerWaalsContact CA-CD2 3.41Å; E496-W500 HydrophobicContact CB-CZ2 4.15Å; E496-W500 VanDerWaalsContact O-CG 3.24Å; E496-W500 PolarHBondContact O-N 3.23Å; V497-W500 HydrophobicContact CB-CE3 4.37Å; V497-W500 HydrophobicContact CG2-CE3 3.91Å; V497-W500 HydrophobicContact CG2-CZ3 3.8Å; V497-W500 WeakPolarHBondContact O-CB 3.4Å; V497-W500 PolarHBondContact O-N 3.15Å; L498-W500 VanDerWaalsContact C-N 3.27Å; L498-W500 PolarHBondContact O-N 3.38Å; W500-F502 VanDerWaalsContact C-N 3.28Å; W500-F502 PolarHBondContact O-N 3.43Å; W500-S503 WeakPolarHBondContact CA-OG 3.45Å; W500-S503 PolarHBondContact O-OG 3.09Å; W500-S504 VanDerWaalsContact O-CB 3.24Å; W500-S504 WeakPolarHBondContact O-CB 3.37Å; W500-S504 PolarHBondContact O-N 3.31Å; W500-S504 PolarHBondContact O-OG 2.89Å
501Q91.9Very high88.3Confident0 Ų036.5 Ų36.50%019%0.193CC..Hα-helixtrans-66.5-32174.9-58.4-46.2-68.500112.3I246 L468 V497 L498 S499 S504 V505 W553 L560I246-Q501 PolarHBondContact O-NE2 3.29Å; L468-Q501 HydrophobicContact CD1-CG 4.27Å; V497-Q501 VanDerWaalsContact O-CG 3.32Å; V497-Q501 WeakPolarHBondContact O-CG 3.3Å; V497-Q501 PolarHBondContact O-N 2.87Å; V497-Q501 VanDerWaalsContact O-N 3.13Å; V497-Q501 PolarHBondContact O-NE2 3.03Å; L498-Q501 WeakPolarHBondContact O-CB 3.36Å; L498-Q501 PolarHBondContact O-N 2.54Å; S499-Q501 VanDerWaalsContact C-N 3.28Å; S499-Q501 PolarHBondContact O-N 3.4Å; Q501-S504 PolarHBondContact O-OG 3.34Å; Q501-V505 WeakPolarHBondContact O-CG2 3.31Å; Q501-W553 HydrophobicContact CB-CH2 4.37Å; Q501-W553 HydrophobicContact CG-CH2 3.74Å; Q501-W553 HydrophobicContact CG-CZ3 3.99Å; Q501-L560 HydrophobicContact CB-CD1 3.93Å
502F90.4Very high88Confident0 Ų041.9 Ų41.90%022%0.218CC..Hα-helixtrans-80.2-43.5176.7-75.4-100.4000111.1L498 S499 W500 S504 V505 T506 R508 L510 I556 I559 L560 I563 W571 F579L498-F502 WeakPolarHBondContact O-CD2 3.37Å; L498-F502 PolarHBondContact O-N 3.23Å; S499-F502 PolarHBondContact O-N 3.28Å; W500-F502 VanDerWaalsContact C-N 3.28Å; W500-F502 PolarHBondContact O-N 3.43Å; F502-S504 VanDerWaalsContact C-N 3.32Å; F502-S504 PolarHBondContact O-N 2.91Å; F502-V505 PolarHBondContact O-N 3.34Å; F502-T506 WeakPolarHBondContact O-CB 3.45Å; F502-T506 PolarHBondContact O-N 2.89Å; F502-T506 PolarHBondContact O-OG1 3.12Å; F502-R508 CarbonylContact C-O 3.59Å; F502-L510 HydrophobicContact CB-CG 4.39Å; F502-L510 HydrophobicContact CD1-CD2 3.97Å; F502-L510 HydrophobicContact CD2-CD1 3.78Å; F502-L510 HydrophobicContact CD2-CD2 3.79Å; F502-L510 HydrophobicContact CD2-CG 3.68Å; F502-L510 HydrophobicContact CE1-CD2 4.1Å; F502-L510 HydrophobicContact CE2-CD1 3.87Å; F502-L510 HydrophobicContact CE2-CD2 3.95Å; F502-L510 HydrophobicContact CE2-CG 4.12Å; F502-L510 HydrophobicContact CG-CD2 3.83Å; F502-L510 HydrophobicContact CG-CG 3.97Å; F502-L510 HydrophobicContact CZ-CD2 4.12Å; F502-I556 HydrophobicContact CE2-CG2 3.88Å; F502-I556 HydrophobicContact CZ-CG2 4.13Å; F502-I559 HydrophobicContact CE1-CG2 4.39Å; F502-L560 HydrophobicContact CB-CD2 4.4Å; F502-L560 HydrophobicContact CD1-CD2 3.52Å; F502-L560 HydrophobicContact CD2-CD2 3.97Å; F502-L560 HydrophobicContact CE1-CD2 3.58Å; F502-L560 HydrophobicContact CE1-CG 4.13Å; F502-L560 HydrophobicContact CE2-CD1 4.35Å; F502-L560 HydrophobicContact CE2-CD2 4.02Å; F502-L560 HydrophobicContact CE2-CG 4.2Å; F502-L560 HydrophobicContact CG-CD2 3.71Å; F502-L560 HydrophobicContact CZ-CD2 3.82Å; F502-L560 HydrophobicContact CZ-CG 3.94Å; F502-I563 HydrophobicContact CD1-CD1 4.1Å; F502-I563 HydrophobicContact CE1-CD1 3.68Å; F502-W571 HydrophobicContact CD1-CH2 4.21Å; F502-W571 AromaticContact CD1-CZ2 3.58Å; F502-W571 HydrophobicContact CD1-CZ2 3.58Å; F502-W571 HydrophobicContact CE1-CH2 4.38Å; F502-W571 HydrophobicContact CE1-CZ2 4.2Å; F502-W571 HydrophobicContact CG-CZ2 4.36Å; F502-F579 AromaticContact CE1-CE2 3.96Å; F502-F579 HydrophobicContact CE1-CE2 3.96Å; F502-F579 HydrophobicContact CE1-CZ 4.21Å; F502-F579 AromaticContact CZ-CE2 3.74Å; F502-F579 HydrophobicContact CZ-CE2 3.74Å; F502-F579 AromaticContact CZ-CZ 3.68Å; F502-F579 HydrophobicContact CZ-CZ 3.68Å
503S86.6Confident87.9Confident51 Ų5143.7 Ų43.736%0.35722%0.222SC..Hα-helixtrans-72.2-21.4-179.9660000114.1S499 W500 T506 R508S499-S503 PolarHBondContact O-N 3.26Å; S499-S503 PolarHBondContact O-OG 3.42Å; W500-S503 WeakPolarHBondContact CA-OG 3.45Å; W500-S503 PolarHBondContact O-OG 3.09Å; S503-T506 CarbonylContact C-O 3.23Å; S503-T506 VanDerWaalsContact C-O 3.32Å; S503-R508 PolarHBondContact N-O 3.19Å
504S84.1Confident87.9Confident51 Ų5140 Ų4036%0.35721%0.205SC..THydrogen-bonded Turntrans-80.8-1817457.90000113.6W500 Q501 F502W500-S504 VanDerWaalsContact O-CB 3.24Å; W500-S504 WeakPolarHBondContact O-CB 3.37Å; W500-S504 PolarHBondContact O-N 3.31Å; W500-S504 PolarHBondContact O-OG 2.89Å; Q501-S504 PolarHBondContact O-OG 3.34Å; F502-S504 VanDerWaalsContact C-N 3.32Å; F502-S504 PolarHBondContact O-N 2.91Å
505V85.1Confident87.9Confident20 Ų2040.7 Ų40.712%0.12121%0.209CC..THydrogen-bonded Turntrans-105.2-26.8179.8178.80000111.7Q501 F502 K564Q501-V505 WeakPolarHBondContact O-CG2 3.31Å; F502-V505 PolarHBondContact O-N 3.34Å; V505-K564 HydrophobicContact CG1-CB 3.88Å; V505-K564 HydrophobicContact CG1-CD 3.94Å; V505-K564 HydrophobicContact CG1-CG 3.97Å
506T86.3Confident87.7Confident11 Ų1141.3 Ų41.37%0.06721%0.211CC..SBendtrans-132.5171.2-174.578.70000110F502 S503 R508 I563 L568 W571 N572F502-T506 WeakPolarHBondContact O-CB 3.45Å; F502-T506 PolarHBondContact O-N 2.89Å; F502-T506 PolarHBondContact O-OG1 3.12Å; S503-T506 CarbonylContact C-O 3.23Å; S503-T506 VanDerWaalsContact C-O 3.32Å; T506-R508 PolarHBondContact O-N 3.13Å; T506-R508 PolarHBondContact OG1-N 3.36Å; T506-R508 PolarHBondContact OG1-O 2.89Å; T506-I563 HydrophobicContact CG2-CG2 3.74Å; T506-L568 HydrophobicContact CG2-CD1 3.86Å; T506-W571 VanDerWaalsContact OG1-CD1 3.29Å; T506-W571 PolarHBondContact OG1-NE1 3.15Å; T506-W571 VanDerWaalsContact OG1-NE1 3.08Å; T506-N572 WeakPolarHBondContact CB-OD1 3.25Å
507K81.2Confident87.6Confident139 Ų13936.9 Ų36.960%0.60419%0.19SC*.SBendtrans-76.3-2.9179.3-64.8-171.8175.6-170.10113.9N572K507-N572 HydrophobicContact CB-CB 4.34Å; K507-N572 PolarHBondContact N-OD1 2.85Å
508R83.4Confident87.4Confident67 Ų6736.6 Ų36.625%0.25319%0.189SC..  trans-139.9146.9-177.268.2174.7-68.3158.1-10.9112.7F502 S503 T506 W571F502-R508 CarbonylContact C-O 3.59Å; S503-R508 PolarHBondContact N-O 3.19Å; T506-R508 PolarHBondContact O-N 3.13Å; T506-R508 PolarHBondContact OG1-N 3.36Å; T506-R508 PolarHBondContact OG1-O 2.89Å; R508-W571 WeakPolarHBondContact CD-O 3.38Å; R508-W571 HydrophobicContact CG-CG 4.44Å
509G86.9Confident87.1Confident19 Ų1936.6 Ų36.620%0.19619%0.188CC..  trans-84-161.1171.400000113.3
510L88.8Confident86.7Confident15 Ų1537.5 Ų37.58%0.07919%0.192CC..  trans-90.1139.5172.1-62.8174.7000110.6L498 S499 F502 Q514 L515 L518 W571 F579L498-L510 HydrophobicContact CB-CD1 4.14Å; S499-L510 PolarHBondContact OG-N 3.38Å; F502-L510 HydrophobicContact CB-CG 4.39Å; F502-L510 HydrophobicContact CD1-CD2 3.97Å; F502-L510 HydrophobicContact CD2-CD1 3.78Å; F502-L510 HydrophobicContact CD2-CD2 3.79Å; F502-L510 HydrophobicContact CD2-CG 3.68Å; F502-L510 HydrophobicContact CE1-CD2 4.1Å; F502-L510 HydrophobicContact CE2-CD1 3.87Å; F502-L510 HydrophobicContact CE2-CD2 3.95Å; F502-L510 HydrophobicContact CE2-CG 4.12Å; F502-L510 HydrophobicContact CG-CD2 3.83Å; F502-L510 HydrophobicContact CG-CG 3.97Å; F502-L510 HydrophobicContact CZ-CD2 4.12Å; L510-Q514 HydrophobicContact CB-CB 4.47Å; L510-Q514 HydrophobicContact CD2-CB 4.37Å; L510-L515 HydrophobicContact CB-CD2 3.87Å; L510-L515 HydrophobicContact CB-CG 3.99Å; L510-L515 HydrophobicContact CD1-CD2 3.8Å; L510-L518 HydrophobicContact CD1-CD1 3.76Å; L510-W571 HydrophobicContact CD2-CH2 4.01Å; L510-W571 HydrophobicContact CD2-CZ2 4.11Å; L510-F579 HydrophobicContact CD2-CD2 3.86Å; L510-F579 HydrophobicContact CD2-CE2 3.61Å
511N87.3Confident86.3Confident53 Ų5339 Ų3928%0.28320%0.199SC..  trans-85.7168.6174.571.912.8000111.7E513 Q514 L515N511-E513 PolarHBondContact O-N 2.78Å; N511-E513 PolarHBondContact OD1-N 3.49Å; N511-Q514 PolarHBondContact O-N 3.11Å; N511-Q514 WeakPolarHBondContact OD1-CB 3.39Å; N511-Q514 VanDerWaalsContact OD1-CD 3.26Å; N511-Q514 WeakPolarHBondContact OD1-CG 3.32Å; N511-Q514 PolarHBondContact OD1-N 2.88Å; N511-Q514 PolarHBondContact OD1-OE1 3.02Å; N511-L515 WeakPolarHBondContact O-CG 3.23Å; N511-L515 PolarHBondContact O-N 3.13Å
512Q85.3Confident85.9Confident125 Ų12539.5 Ų39.558%0.58420%0.202SC*.Hα-helixtrans-59-35.2-178.2-16961.437.800112.7L515 N516Q512-L515 PolarHBondContact O-N 3.35Å; Q512-N516 PolarHBondContact NE2-OD1 3.08Å; Q512-N516 WeakPolarHBondContact O-CB 3.35Å; Q512-N516 PolarHBondContact O-N 3.28Å; Q512-N516 PolarHBondContact O-ND2 3.3Å; Q512-N516 PolarHBondContact O-OD1 2.92Å
513E84.8Confident85.5Confident78 Ų7841 Ų4136%0.36421%0.21SC..Hα-helixtrans-68.9-43179.8-58.1-155.8124.200112.9N511 N516 M517 R584N511-E513 PolarHBondContact O-N 2.78Å; N511-E513 PolarHBondContact OD1-N 3.49Å; E513-N516 PolarHBondContact O-N 2.97Å; E513-M517 PolarHBondContact O-N 3.31Å; E513-M517 VanDerWaalsContact O-N 3.15Å; E513-R584 IonicContact OE1-CZ 3.38Å; E513-R584 IonicContact OE1-NH1 3.68Å; E513-R584 IonicContact OE1-NH2 2.68Å; E513-R584 PolarHBondContact OE1-NH2 3.04Å
514Q89.2Confident85Confident4 Ų440 Ų402%0.01921%0.207CC..Hα-helixtrans-63.2-44.5174.9-71.6163.6-13.900110.2L510 N511 N516 M517 L518 M577 F579L510-Q514 HydrophobicContact CB-CB 4.47Å; L510-Q514 HydrophobicContact CD2-CB 4.37Å; N511-Q514 PolarHBondContact O-N 3.11Å; N511-Q514 WeakPolarHBondContact OD1-CB 3.39Å; N511-Q514 VanDerWaalsContact OD1-CD 3.26Å; N511-Q514 WeakPolarHBondContact OD1-CG 3.32Å; N511-Q514 PolarHBondContact OD1-N 2.88Å; N511-Q514 PolarHBondContact OD1-OE1 3.02Å; Q514-N516 VanDerWaalsContact C-N 3.35Å; Q514-N516 PolarHBondContact O-N 3.19Å; Q514-M517 PolarHBondContact O-N 2.89Å; Q514-L518 WeakPolarHBondContact O-CG 3.41Å; Q514-L518 PolarHBondContact O-N 2.86Å; Q514-L518 VanDerWaalsContact O-N 3.12Å; Q514-M577 WeakPolarHBondContact CG-O 3.35Å; Q514-M577 PolarHBondContact NE2-O 3.44Å; Q514-F579 HydrophobicContact CB-CB 3.96Å; Q514-F579 HydrophobicContact CB-CD2 4.06Å; Q514-F579 HydrophobicContact CB-CG 4.46Å; Q514-F579 HydrophobicContact CG-CB 4.05Å; Q514-F579 HydrophobicContact CG-CD2 4.12Å
515L88.4Confident84.1Confident17 Ų1741.7 Ų41.79%0.08923%0.225CC..Hα-helixtrans-61.2-43.3175.1-70.1176000111.3W491 L510 N511 Q512 M517 L518 A519W491-L515 HydrophobicContact CZ2-CB 4.26Å; W491-L515 WeakPolarHBondContact CZ2-O 3.43Å; L510-L515 HydrophobicContact CB-CD2 3.87Å; L510-L515 HydrophobicContact CB-CG 3.99Å; L510-L515 HydrophobicContact CD1-CD2 3.8Å; N511-L515 WeakPolarHBondContact O-CG 3.23Å; N511-L515 PolarHBondContact O-N 3.13Å; Q512-L515 PolarHBondContact O-N 3.35Å; L515-M517 VanDerWaalsContact C-N 3.32Å; L515-M517 PolarHBondContact O-N 3.39Å; L515-L518 PolarHBondContact O-N 3.32Å; L515-L518 VanDerWaalsContact O-N 3.13Å; L515-A519 WeakPolarHBondContact O-CB 3.26Å; L515-A519 PolarHBondContact O-N 2.89Å
516N86.4Confident82.9Confident26 Ų2650.6 Ų50.614%0.13926%0.262CS..Hα-helixtrans-59.1-41.7178.2-72.2-15.7000112.2Q512 E513 Q514 A519 D520Q512-N516 PolarHBondContact NE2-OD1 3.08Å; Q512-N516 WeakPolarHBondContact O-CB 3.35Å; Q512-N516 PolarHBondContact O-N 3.28Å; Q512-N516 PolarHBondContact O-ND2 3.3Å; Q512-N516 PolarHBondContact O-OD1 2.92Å; E513-N516 PolarHBondContact O-N 2.97Å; Q514-N516 VanDerWaalsContact C-N 3.35Å; Q514-N516 PolarHBondContact O-N 3.19Å; N516-A519 WeakPolarHBondContact O-CB 3.15Å; N516-A519 PolarHBondContact O-N 2.95Å; N516-D520 VanDerWaalsContact O-CG 3.22Å; N516-D520 PolarHBondContact O-N 3.06Å
517M87.7Confident81.8Confident15 Ų1551.7 Ų51.77%0.07427%0.272CS..Hα-helixtrans-63.3-43175.2-176.7-79.6-143.300111.8E513 Q514 L515 A519 D520 K521 W555 F579 E603E513-M517 PolarHBondContact O-N 3.31Å; E513-M517 VanDerWaalsContact O-N 3.15Å; Q514-M517 PolarHBondContact O-N 2.89Å; L515-M517 VanDerWaalsContact C-N 3.32Å; L515-M517 PolarHBondContact O-N 3.39Å; M517-A519 VanDerWaalsContact C-N 3.33Å; M517-A519 PolarHBondContact O-N 2.59Å; M517-D520 PolarHBondContact O-N 3.42Å; M517-K521 PolarHBondContact O-N 3.18Å; M517-W555 HydrophobicContact CE-CH2 4.45Å; M517-F579 HydrophobicContact CB-CB 4.44Å; M517-F579 HydrophobicContact CE-CB 4.26Å; M517-F579 HydrophobicContact CE-CD1 4.47Å; M517-F579 HydrophobicContact CG-CB 4.5Å; M517-F579 HydrophobicContact SD-CB 4.15Å; M517-E603 HydrophobicContact CE-CG 4.24Å
518L86.9Confident80.9Confident0 Ų053.4 Ų53.40%028%0.282CS..Hα-helixtrans-65.7-35.9176.6-65.6176.4000112.2W491 L510 Q514 L515 K521 L522 F552 W555 I556 F579W491-L518 HydrophobicContact CH2-CB 3.79Å; L510-L518 HydrophobicContact CD1-CD1 3.76Å; Q514-L518 WeakPolarHBondContact O-CG 3.41Å; Q514-L518 PolarHBondContact O-N 2.86Å; Q514-L518 VanDerWaalsContact O-N 3.12Å; L515-L518 PolarHBondContact O-N 3.32Å; L515-L518 VanDerWaalsContact O-N 3.13Å; L518-K521 PolarHBondContact O-N 3.35Å; L518-L522 PolarHBondContact O-N 3.22Å; L518-L522 VanDerWaalsContact O-N 3.08Å; L518-F552 HydrophobicContact CD2-CE2 3.93Å; L518-F552 HydrophobicContact CD2-CZ 3.98Å; L518-W555 HydrophobicContact CD2-CH2 4.14Å; L518-W555 HydrophobicContact CD2-CZ3 3.78Å; L518-I556 HydrophobicContact CD2-CD1 3.97Å; L518-F579 HydrophobicContact CD1-CG 4.49Å; L518-F579 HydrophobicContact CD2-CD1 3.63Å; L518-F579 HydrophobicContact CD2-CE1 3.92Å; L518-F579 HydrophobicContact CD2-CG 4.22Å; L518-F579 HydrophobicContact CG-CD1 4.24Å; L518-F579 HydrophobicContact CG-CG 4.33Å
519A85.3Confident80.1Confident0 Ų055.1 Ų55.10%029%0.289CS..Hα-helixtrans-61.9-50.5173.900000110.7W491 L515 N516 M517 K521 L522 L523W491-A519 HydrophobicContact CD2-CB 4.01Å; W491-A519 HydrophobicContact CH2-CB 4.15Å; W491-A519 HydrophobicContact CZ2-CB 3.47Å; W491-A519 VanDerWaalsContact CZ2-CB 3.47Å; L515-A519 WeakPolarHBondContact O-CB 3.26Å; L515-A519 PolarHBondContact O-N 2.89Å; N516-A519 WeakPolarHBondContact O-CB 3.15Å; N516-A519 PolarHBondContact O-N 2.95Å; M517-A519 VanDerWaalsContact C-N 3.33Å; M517-A519 PolarHBondContact O-N 2.59Å; A519-K521 PolarHBondContact O-N 3.3Å; A519-L522 PolarHBondContact O-N 3.29Å; A519-L522 VanDerWaalsContact O-N 3.16Å; A519-L523 WeakPolarHBondContact O-CB 3.46Å; A519-L523 PolarHBondContact O-N 2.69Å
520D84.3Confident79.5Confident45 Ų4558.1 Ų58.124%0.24130%0.3CS..Hα-helixtrans-60.1-35179.2-68.2-22.7000110.6N516 M517 G524 R529N516-D520 VanDerWaalsContact O-CG 3.22Å; N516-D520 PolarHBondContact O-N 3.06Å; M517-D520 PolarHBondContact O-N 3.42Å; D520-G524 CarbonylContact O-C 3.59Å; D520-G524 WeakPolarHBondContact O-CA 3.38Å; D520-G524 PolarHBondContact O-N 3.36Å; D520-R529 VanDerWaalsContact OD1-CG 3.26Å; D520-R529 WeakPolarHBondContact OD1-CG 3.27Å; D520-R529 IonicContact OD1-NE 3.01Å; D520-R529 PolarHBondContact OD1-NE 2.95Å; D520-R529 IonicContact OD2-CZ 3.71Å; D520-R529 IonicContact OD2-NE 2.78Å; D520-R529 PolarHBondContact OD2-NE 3.2Å; D520-R529 VanDerWaalsContact OD2-NE 3.13Å; D520-R529 IonicContact OD2-NH2 3.71Å; D520-R529 PolarHBondContact OD2-NH2 3.43Å
521K83.3Confident78.7Confident82 Ų8261 Ų6136%0.35732%0.32SS..Hα-helixtrans-70.2-37.5176.1-165.8179.3-177.5109.90113.9M517 L518 A519 F552 W555 E603M517-K521 PolarHBondContact O-N 3.18Å; L518-K521 PolarHBondContact O-N 3.35Å; A519-K521 PolarHBondContact O-N 3.3Å; K521-F552 HydrophobicContact CD-CD2 4.38Å; K521-F552 HydrophobicContact CD-CE2 4.33Å; K521-W555 HydrophobicContact CD-CE3 4.44Å; K521-W555 HydrophobicContact CD-CH2 4.04Å; K521-W555 HydrophobicContact CD-CZ3 3.7Å; K521-E603 IonicContact NZ-OE2 2.68Å; K521-E603 PolarHBondContact NZ-OE2 3.46Å
522L82.9Confident78.4Confident11 Ų1162.9 Ų62.96%0.05833%0.33CS..Hα-helixtrans-88.1-44.4-176.4-75.9173000113.6W491 L494 L518 A519 I535 K539 F552W491-L522 HydrophobicContact CE3-CD1 4.46Å; W491-L522 HydrophobicContact CZ3-CD1 3.86Å; L494-L522 HydrophobicContact CD2-CD1 4.05Å; L518-L522 PolarHBondContact O-N 3.22Å; L518-L522 VanDerWaalsContact O-N 3.08Å; A519-L522 PolarHBondContact O-N 3.29Å; A519-L522 VanDerWaalsContact O-N 3.16Å; L522-I535 HydrophobicContact CB-CD1 4.07Å; L522-I535 HydrophobicContact CD1-CD1 3.99Å; L522-K539 PolarHBondContact O-NZ 2.99Å; L522-F552 HydrophobicContact CD1-CD1 4.19Å; L522-F552 HydrophobicContact CD1-CD2 4.43Å; L522-F552 HydrophobicContact CD1-CE1 3.8Å; L522-F552 HydrophobicContact CD1-CE2 4.04Å; L522-F552 HydrophobicContact CD1-CG 4.49Å; L522-F552 HydrophobicContact CD1-CZ 3.71Å; L522-F552 HydrophobicContact CD2-CB 4.06Å; L522-F552 HydrophobicContact CD2-CD1 4.01Å; L522-F552 HydrophobicContact CD2-CD2 3.72Å; L522-F552 HydrophobicContact CD2-CE1 4.41Å; L522-F552 HydrophobicContact CD2-CE2 4.13Å; L522-F552 HydrophobicContact CD2-CG 3.65Å; L522-F552 HydrophobicContact CD2-CZ 4.46Å; L522-F552 HydrophobicContact CG-CD2 4.03Å; L522-F552 HydrophobicContact CG-CE1 4.43Å; L522-F552 HydrophobicContact CG-CE2 3.92Å; L522-F552 HydrophobicContact CG-CG 4.33Å; L522-F552 HydrophobicContact CG-CZ 4.13Å
523L80.9Confident78.2Confident32 Ų3257.4 Ų57.417%0.16831%0.307CS..Hα-helixtrans-87.9-27.3-178.2-62.5169.6000111.9W491 A519 A527 I535W491-L523 HydrophobicContact CB-CD1 4.06Å; W491-L523 HydrophobicContact CG-CD1 4.15Å; A519-L523 WeakPolarHBondContact O-CB 3.46Å; A519-L523 PolarHBondContact O-N 2.69Å; L523-A527 HydrophobicContact CB-CB 3.53Å; L523-A527 HydrophobicContact CD1-CB 4.4Å; L523-A527 HydrophobicContact CG-CB 4.49Å; L523-I535 HydrophobicContact CD2-CD1 4.22Å; L523-I535 HydrophobicContact CD2-CG1 3.65Å; L523-I535 HydrophobicContact CG-CD1 4.42Å; L523-I535 HydrophobicContact CG-CG1 4.31Å
524G76.6Confident78.3Confident29 Ų2958 Ų5830%0.29932%0.316SS..  trans89.5152.7-172.400000112.3D520 K526 A527D520-G524 CarbonylContact O-C 3.59Å; D520-G524 WeakPolarHBondContact O-CA 3.38Å; D520-G524 PolarHBondContact O-N 3.36Å; G524-K526 PolarHBondContact O-N 3.41Å; G524-A527 WeakPolarHBondContact O-CB 3.47Å; G524-A527 PolarHBondContact O-N 3.25Å
525A66.1Low78.1Confident88 Ų8857.9 Ų57.973%0.72732%0.315SS*.G310 helixtrans-56.4-22.3-17900000114.4A527A525-A527 VanDerWaalsContact C-N 3.3Å; A525-A527 PolarHBondContact O-N 2.98Å
526K59.4Low78.1Confident207 Ų20759.2 Ų59.290%0.933%0.325SS*.G310 helixtrans-73.2-18.7177.9-63.5-174.5179.9-177.10113.9G524 Q528G524-K526 PolarHBondContact O-N 3.41Å; K526-Q528 VanDerWaalsContact C-N 3.26Å; K526-Q528 PolarHBondContact O-N 2.91Å
527A62Low78Confident33 Ų3358.3 Ų58.327%0.27332%0.32SS..G310 helixtrans-82.9-0.5-176.900000113.8L523 G524 A525 R529 N530L523-A527 HydrophobicContact CB-CB 3.53Å; L523-A527 HydrophobicContact CD1-CB 4.4Å; L523-A527 HydrophobicContact CG-CB 4.49Å; G524-A527 WeakPolarHBondContact O-CB 3.47Å; G524-A527 PolarHBondContact O-N 3.25Å; A525-A527 VanDerWaalsContact C-N 3.3Å; A525-A527 PolarHBondContact O-N 2.98Å; A527-R529 PolarHBondContact O-N 3.36Å; A527-N530 WeakPolarHBondContact O-CB 3.42Å; A527-N530 PolarHBondContact O-N 3.13Å
528Q62.8Low77.8Confident176 Ų17661.1 Ų61.182%0.82234%0.338SS*.THydrogen-bonded Turntrans4636.9176.5-65.3-176.7-17.300114.1K526 N530K526-Q528 VanDerWaalsContact C-N 3.26Å; K526-Q528 PolarHBondContact O-N 2.91Å; Q528-N530 PolarHBondContact O-N 3.39Å; Q528-N530 VanDerWaalsContact O-N 3.15Å
529R67.6Low77.5Confident103 Ų10366.6 Ų66.639%0.38936%0.362SS..THydrogen-bonded Turntrans55.930.3178.9-56173-178.9162.23.1114D520 A527 P531D520-R529 VanDerWaalsContact OD1-CG 3.26Å; D520-R529 WeakPolarHBondContact OD1-CG 3.27Å; D520-R529 IonicContact OD1-NE 3.01Å; D520-R529 PolarHBondContact OD1-NE 2.95Å; D520-R529 IonicContact OD2-CZ 3.71Å; D520-R529 IonicContact OD2-NE 2.78Å; D520-R529 PolarHBondContact OD2-NE 3.2Å; D520-R529 VanDerWaalsContact OD2-NE 3.13Å; D520-R529 IonicContact OD2-NH2 3.71Å; D520-R529 PolarHBondContact OD2-NH2 3.43Å; A527-R529 PolarHBondContact O-N 3.36Å; R529-P531 WeakPolarHBondContact O-CD 3.47Å
530N73.3Confident77.4Confident81 Ų8166.7 Ų66.743%0.43336%0.362SS..  trans-58.2121.6-179.5-173.7-4.9000111.1A527 Q528 D532 G533A527-N530 WeakPolarHBondContact O-CB 3.42Å; A527-N530 PolarHBondContact O-N 3.13Å; Q528-N530 PolarHBondContact O-N 3.39Å; Q528-N530 VanDerWaalsContact O-N 3.15Å; N530-D532 PolarHBondContact O-N 3.01Å; N530-D532 PolarHBondContact OD1-N 3.49Å; N530-G533 PolarHBondContact O-N 3.39Å
531P72.3Confident77.2Confident77 Ų7764.8 Ų64.850%0.535%0.352SS..THydrogen-bonded Turntrans-57.7-29.8176.4-25.835.4000114.1S492 R529 G533S492-P531 PolarHBondContact N-O 2.58Å; S492-P531 PolarHBondContact OG-O 2.66Å; R529-P531 WeakPolarHBondContact O-CD 3.47Å; P531-G533 VanDerWaalsContact C-N 3.3Å
532D80.3Confident76.6Confident91 Ų9165.3 Ų65.349%0.48736%0.355SS..THydrogen-bonded Turntrans-87.44.8176.8-76.6-56.2000113.6K490 N530 T534K490-D532 IonicContact NZ-OD1 2.9Å; K490-D532 PolarHBondContact NZ-OD1 2.85Å; N530-D532 PolarHBondContact O-N 3.01Å; N530-D532 PolarHBondContact OD1-N 3.49Å; D532-T534 PolarHBondContact O-N 3.36Å
533G82Confident75.5Confident11 Ų1170.8 Ų70.811%0.11338%0.38CS..  trans-55.512917400000111.1K490 W491 N530 P531K490-G533 CarbonylContact C-O 3.42Å; W491-G533 PolarHBondContact N-O 3.16Å; N530-G533 PolarHBondContact O-N 3.39Å; P531-G533 VanDerWaalsContact C-N 3.3Å
534T85.9Confident74.1Confident90 Ų9072.4 Ų72.455%0.55239%0.394SS*.EExtended strand (participates in β ladder)trans-97.4133.7-177.357.40000111.8A489 D532A489-T534 CarbonylContact O-C 3.58Å; A489-T534 WeakPolarHBondContact O-CA 3.4Å; D532-T534 PolarHBondContact O-N 3.36Å
535I86.3Confident72.6Confident1 Ų176 Ų761%0.00542%0.42CS..EExtended strand (participates in β ladder)trans-116.9114.8-175.4-60.5166.5000108.5W469 S488 A489 W491 L494 L522 L523W469-I535 HydrophobicContact CH2-CG2 4.23Å; W469-I535 WeakPolarHBondContact CH2-O 3.43Å; W469-I535 VanDerWaalsContact CZ2-O 3.3Å; W469-I535 WeakPolarHBondContact CZ2-O 3.49Å; S488-I535 WeakPolarHBondContact CA-O 3.26Å; A489-I535 PolarHBondContact N-O 2.94Å; A489-I535 PolarHBondContact O-N 2.77Å; W491-I535 HydrophobicContact CB-CD1 4.33Å; W491-I535 HydrophobicContact CD2-CD1 4.45Å; W491-I535 HydrophobicContact CE3-CD1 3.57Å; W491-I535 HydrophobicContact CZ3-CD1 4.33Å; L494-I535 HydrophobicContact CD2-CD1 3.65Å; L494-I535 HydrophobicContact CD2-CG2 4.4Å; L522-I535 HydrophobicContact CB-CD1 4.07Å; L522-I535 HydrophobicContact CD1-CD1 3.99Å; L523-I535 HydrophobicContact CD2-CD1 4.22Å; L523-I535 HydrophobicContact CD2-CG1 3.65Å; L523-I535 HydrophobicContact CG-CD1 4.42Å; L523-I535 HydrophobicContact CG-CG1 4.31Å
536P87Confident71.5Confident45 Ų4579 Ų7929%0.29243%0.425SS..  trans-67.5144.7175-21.933.4000112.4T538 K539 F540P536-T538 PolarHBondContact O-N 3.28Å; P536-T538 VanDerWaalsContact O-N 3.09Å; P536-K539 PolarHBondContact O-N 2.98Å; P536-K539 VanDerWaalsContact O-N 3.08Å; P536-F540 PolarHBondContact O-N 3.21Å
537W84.9Confident71.3Confident7 Ų774.9 Ų74.93%0.02741%0.409CS..Hα-helixtrans-52-33.6173.3168.6-111.2000113.5A465 W469 F483 P486 K539 F540 C541A465-W537 HydrophobicContact CB-CH2 4.06Å; A465-W537 HydrophobicContact CB-CZ3 4.4Å; A465-W537 WeakPolarHBondContact O-CZ3 3.37Å; W469-W537 HydrophobicContact CB-CE3 3.71Å; W469-W537 HydrophobicContact CB-CH2 4.41Å; W469-W537 HydrophobicContact CB-CZ3 3.47Å; W469-W537 VanDerWaalsContact CB-CZ3 3.47Å; W469-W537 AromaticContact CD1-CE3 3.75Å; W469-W537 HydrophobicContact CD2-CD2 4.47Å; W469-W537 AromaticContact CD2-CE3 3.41Å; W469-W537 HydrophobicContact CD2-CE3 3.41Å; W469-W537 VanDerWaalsContact CD2-CE3 3.41Å; W469-W537 AromaticContact CD2-CZ3 3.95Å; W469-W537 HydrophobicContact CD2-CZ3 3.95Å; W469-W537 AromaticContact CE2-CE3 3.86Å; W469-W537 AromaticContact CE3-CE3 3.87Å; W469-W537 HydrophobicContact CE3-CE3 3.87Å; W469-W537 HydrophobicContact CE3-CZ3 4.18Å; W469-W537 HydrophobicContact CG-CD2 4.3Å; W469-W537 AromaticContact CG-CE3 3.33Å; W469-W537 HydrophobicContact CG-CE3 3.33Å; W469-W537 AromaticContact CG-CZ3 3.66Å; W469-W537 HydrophobicContact CG-CZ3 3.66Å; W469-W537 HydrophobicContact CZ2-CB 4.16Å; F483-W537 HydrophobicContact CD1-CD2 4.44Å; F483-W537 AromaticContact CD1-CE2 3.96Å; F483-W537 HydrophobicContact CD1-CZ2 4.12Å; F483-W537 HydrophobicContact CE1-CD2 4.17Å; F483-W537 AromaticContact CE1-CE2 3.87Å; F483-W537 HydrophobicContact CE1-CE3 4.36Å; F483-W537 AromaticContact CE1-CH2 3.97Å; F483-W537 HydrophobicContact CE1-CH2 3.97Å; F483-W537 AromaticContact CE1-CZ2 3.77Å; F483-W537 HydrophobicContact CE1-CZ2 3.77Å; F483-W537 HydrophobicContact CE1-CZ3 4.27Å; P486-W537 HydrophobicContact CB-CB 3.73Å; P486-W537 HydrophobicContact CB-CG 3.98Å; P486-W537 HydrophobicContact CG-CB 3.73Å; P486-W537 HydrophobicContact CG-CG 3.92Å; W537-K539 PolarHBondContact O-N 3.15Å; W537-F540 HydrophobicContact CE3-CD1 4.02Å; W537-F540 AromaticContact CZ3-CD1 3.78Å; W537-F540 HydrophobicContact CZ3-CD1 3.78Å; W537-F540 HydrophobicContact CZ3-CE1 4.26Å; W537-F540 PolarHBondContact O-N 3.49Å; W537-C541 HydrophobicContact CD2-CB 4.4Å; W537-C541 HydrophobicContact CE3-CB 4.18Å; W537-C541 HydrophobicContact CH2-CB 3.62Å; W537-C541 HydrophobicContact CZ2-CB 3.83Å; W537-C541 HydrophobicContact CZ3-CB 3.79Å; W537-C541 PolarHBondContact O-N 3.43Å
538T83.5Confident70.8Confident75 Ų7584 Ų8446%0.4644%0.442SS..Hα-helixtrans-60-46.1178.946.40000111.6P536 F540 K542P536-T538 PolarHBondContact O-N 3.28Å; P536-T538 VanDerWaalsContact O-N 3.09Å; T538-F540 VanDerWaalsContact C-N 3.3Å; T538-F540 PolarHBondContact O-N 3.08Å; T538-K542 HydrophobicContact CG2-CD 3.95Å; T538-K542 CarbonylContact O-C 3.17Å; T538-K542 WeakPolarHBondContact O-CA 3.15Å; T538-K542 WeakPolarHBondContact O-CB 3.36Å; T538-K542 PolarHBondContact O-N 2.7Å
539K81.6Confident70.6Confident115 Ų11577.8 Ų77.850%0.542%0.418SS..Hα-helixtrans-66.2-32.7177.7-72-168.9173.4-174.90112.7L522 P536 W537L522-K539 PolarHBondContact O-NZ 2.99Å; P536-K539 PolarHBondContact O-N 2.98Å; P536-K539 VanDerWaalsContact O-N 3.08Å; W537-K539 PolarHBondContact O-N 3.15Å
540F83.1Confident70.9Confident1 Ų175 Ų750%0.00441%0.409CS..Hα-helixtrans-73.9-47.4-177.2-176.1-108.3000113A465 W469 L494 P536 W537 T538 F552 W553A465-F540 HydrophobicContact CB-CE1 4.18Å; W469-F540 HydrophobicContact CD2-CD1 4.44Å; W469-F540 HydrophobicContact CE3-CB 4.27Å; W469-F540 AromaticContact CE3-CD1 3.45Å; W469-F540 HydrophobicContact CE3-CD1 3.45Å; W469-F540 VanDerWaalsContact CE3-CD1 3.45Å; W469-F540 HydrophobicContact CE3-CD2 4.45Å; W469-F540 AromaticContact CE3-CE1 3.79Å; W469-F540 HydrophobicContact CE3-CE1 3.79Å; W469-F540 AromaticContact CE3-CG 3.82Å; W469-F540 HydrophobicContact CE3-CG 3.82Å; W469-F540 HydrophobicContact CE3-CZ 4.41Å; W469-F540 HydrophobicContact CH2-CB 3.87Å; W469-F540 HydrophobicContact CH2-CG 4.14Å; W469-F540 HydrophobicContact CZ3-CB 3.59Å; W469-F540 AromaticContact CZ3-CD1 3.53Å; W469-F540 HydrophobicContact CZ3-CD1 3.53Å; W469-F540 AromaticContact CZ3-CD2 3.77Å; W469-F540 HydrophobicContact CZ3-CD2 3.77Å; W469-F540 HydrophobicContact CZ3-CE1 4.09Å; W469-F540 HydrophobicContact CZ3-CE2 4.3Å; W469-F540 AromaticContact CZ3-CG 3.34Å; W469-F540 HydrophobicContact CZ3-CG 3.34Å; W469-F540 HydrophobicContact CZ3-CZ 4.44Å; L494-F540 HydrophobicContact CD1-CD2 4.39Å; L494-F540 HydrophobicContact CD1-CE2 3.89Å; L494-F540 HydrophobicContact CD1-CZ 4.33Å; L494-F540 HydrophobicContact CD2-CD2 4.23Å; L494-F540 HydrophobicContact CD2-CE2 4.4Å; P536-F540 PolarHBondContact O-N 3.21Å; W537-F540 HydrophobicContact CE3-CD1 4.02Å; W537-F540 AromaticContact CZ3-CD1 3.78Å; W537-F540 HydrophobicContact CZ3-CD1 3.78Å; W537-F540 HydrophobicContact CZ3-CE1 4.26Å; W537-F540 PolarHBondContact O-N 3.49Å; T538-F540 VanDerWaalsContact C-N 3.3Å; T538-F540 PolarHBondContact O-N 3.08Å; F540-F552 AromaticContact CD2-CD1 3.85Å; F540-F552 HydrophobicContact CD2-CD1 3.85Å; F540-F552 HydrophobicContact CD2-CE1 4.32Å; F540-F552 HydrophobicContact CE2-CD1 4.02Å; F540-F552 HydrophobicContact CE2-CE1 4.18Å; F540-W553 HydrophobicContact CD1-CB 4.25Å; F540-W553 HydrophobicContact CE1-CB 3.92Å; F540-W553 HydrophobicContact CE1-CD2 4.24Å; F540-W553 HydrophobicContact CE1-CE3 4.28Å; F540-W553 HydrophobicContact CE1-CG 4.06Å; F540-W553 HydrophobicContact CE2-CB 4.23Å; F540-W553 HydrophobicContact CE2-CE3 4Å; F540-W553 HydrophobicContact CZ-CB 3.91Å; F540-W553 AromaticContact CZ-CD2 3.83Å; F540-W553 HydrophobicContact CZ-CD2 3.83Å; F540-W553 AromaticContact CZ-CE3 3.44Å; F540-W553 HydrophobicContact CZ-CE3 3.44Å; F540-W553 VanDerWaalsContact CZ-CE3 3.44Å; F540-W553 HydrophobicContact CZ-CG 4.02Å; F540-W553 HydrophobicContact CZ-CZ3 4.36Å; F540-W553 WeakPolarHBondContact O-CB 3.45Å; F540-W553 PolarHBondContact O-N 3.24Å
541C79.6Confident71.4Confident5 Ų571.9 Ų71.93%0.03439%0.393CS..Hα-helixtrans-133.6-7.3-169.2-165.40000115.3A465 W537A465-C541 HydrophobicContact CB-CB 4.27Å; A465-C541 VanDerWaalsContact CB-SG 3.53Å; W537-C541 HydrophobicContact CD2-CB 4.4Å; W537-C541 HydrophobicContact CE3-CB 4.18Å; W537-C541 HydrophobicContact CH2-CB 3.62Å; W537-C541 HydrophobicContact CZ2-CB 3.83Å; W537-C541 HydrophobicContact CZ3-CB 3.79Å; W537-C541 PolarHBondContact O-N 3.43Å
542K70.3Confident72.1Confident94 Ų9468.9 Ų68.941%0.40937%0.372SS..SBendtrans-102140.5174.7-66.6-176.3173.9179.60110.6T538 S544T538-K542 HydrophobicContact CG2-CD 3.95Å; T538-K542 CarbonylContact O-C 3.17Å; T538-K542 WeakPolarHBondContact O-CA 3.15Å; T538-K542 WeakPolarHBondContact O-CB 3.36Å; T538-K542 PolarHBondContact O-N 2.7Å; K542-S544 PolarHBondContact O-N 3.32Å
543Q60.1Low72.6Confident126 Ų12664.5 Ų64.559%0.58935%0.349SS*.PPolyproline II helixtrans-73.1124.2170.1-168167.119.600108.2S549 P551Q543-S549 PolarHBondContact NE2-O 3.17Å; Q543-P551 HydrophobicContact CB-CG 4.36Å
544S51.4Low72.9Confident66 Ų6665.6 Ų65.646%0.46235%0.352SS..PPolyproline II helixtrans-70.2132.1169.7-173.90000108.2K542 N546 E547K542-S544 PolarHBondContact O-N 3.32Å; S544-N546 PolarHBondContact O-N 2.91Å; S544-E547 PolarHBondContact O-N 3Å
545A44.1Very low73Confident103 Ų10361.4 Ų61.485%0.85133%0.326SS*.THydrogen-bonded Turntrans-59.9-18-177.700000113.5
546N44.3Very low73.3Confident153 Ų15361.4 Ų61.482%0.81833%0.326SS*.THydrogen-bonded Turntrans-102.9-2.1-173.1-65.7-5.3000114.1S544S544-N546 PolarHBondContact O-N 2.91Å
547E54Low73.4Confident120 Ų12061.3 Ų61.356%0.56132%0.321SS*.  trans-115.3129.2177.2-69.6-178.6-170.200110.6S544 S549S544-E547 PolarHBondContact O-N 3Å; E547-S549 WeakPolarHBondContact CB-OG 3.36Å; E547-S549 PolarHBondContact O-N 3.48Å; E547-S549 PolarHBondContact OE2-OG 3.27Å
548K51.4Low73.6Confident224 Ų22461.3 Ų61.397%0.97432%0.324SS*.SBendtrans-65.68.1168.8-68.9-178.2178.41780112.9
549S60.4Low74Confident46 Ų4657.7 Ų57.732%0.32230%0.302SS..PPolyproline II helixtrans-86.1153.4-176.773.70000111.6Q543 E547Q543-S549 PolarHBondContact NE2-O 3.17Å; E547-S549 WeakPolarHBondContact CB-OG 3.36Å; E547-S549 PolarHBondContact O-N 3.48Å; E547-S549 PolarHBondContact OE2-OG 3.27Å
550F73.3Confident74.4Confident43 Ų4352.5 Ų52.519%0.18928%0.279CS..PPolyproline II helixtrans-86.1157.4170.743.4-96000110.5W555 E603 S605 K606F550-W555 HydrophobicContact CD2-CB 3.72Å; F550-W555 HydrophobicContact CD2-CG 4.33Å; F550-W555 HydrophobicContact CE2-CB 3.4Å; F550-W555 VanDerWaalsContact CE2-CB 3.4Å; F550-W555 AromaticContact CE2-CD1 3.48Å; F550-W555 VanDerWaalsContact CE2-CD1 3.48Å; F550-W555 AromaticContact CE2-CG 3.51Å; F550-W555 HydrophobicContact CE2-CG 3.51Å; F550-W555 AromaticContact CZ-CD1 3.91Å; F550-W555 HydrophobicContact CZ-CG 4.35Å; F550-E603 WeakPolarHBondContact CZ-O 3.46Å; F550-S605 VanDerWaalsContact CZ-C 3.48Å; F550-S605 WeakPolarHBondContact CZ-O 3.2Å; F550-K606 HydrophobicContact CB-CB 4.36Å; F550-K606 HydrophobicContact CB-CD 4.19Å; F550-K606 HydrophobicContact CB-CG 3.93Å; F550-K606 HydrophobicContact CD1-CB 3.54Å; F550-K606 HydrophobicContact CD1-CG 4.07Å; F550-K606 HydrophobicContact CE1-CB 3.92Å; F550-K606 HydrophobicContact CG-CB 3.86Å; F550-K606 HydrophobicContact CG-CG 3.89Å
551P83.2Confident74.8Confident16 Ų1654.5 Ų54.510%0.10429%0.29CS..PPolyproline II helixtrans-56.2140.7177.3-24.432.4000113.3Q543 W553 L554 W555Q543-P551 HydrophobicContact CB-CG 4.36Å; P551-W553 VanDerWaalsContact C-N 3.33Å; P551-W553 PolarHBondContact O-N 3.5Å; P551-L554 HydrophobicContact CB-CB 4.46Å; P551-L554 HydrophobicContact CB-CD1 4.34Å; P551-L554 HydrophobicContact CB-CG 4.26Å; P551-L554 HydrophobicContact CG-CD1 3.93Å; P551-L554 HydrophobicContact CG-CG 4.39Å; P551-L554 PolarHBondContact O-N 2.99Å; P551-L554 VanDerWaalsContact O-N 3.13Å; P551-W555 PolarHBondContact O-N 3.22Å
552F87.9Confident75.3Confident14 Ų1454.3 Ų54.36%0.06129%0.289CS..Hα-helixtrans-53.9-45.2-179.9173.8-92.4000112.9L498 L518 K521 L522 F540 L554 W555 I556L498-F552 HydrophobicContact CD1-CE1 4.21Å; L498-F552 HydrophobicContact CD1-CZ 4.31Å; L498-F552 HydrophobicContact CD2-CE1 4.29Å; L518-F552 HydrophobicContact CD2-CE2 3.93Å; L518-F552 HydrophobicContact CD2-CZ 3.98Å; K521-F552 HydrophobicContact CD-CD2 4.38Å; K521-F552 HydrophobicContact CD-CE2 4.33Å; L522-F552 HydrophobicContact CD1-CD1 4.19Å; L522-F552 HydrophobicContact CD1-CD2 4.43Å; L522-F552 HydrophobicContact CD1-CE1 3.8Å; L522-F552 HydrophobicContact CD1-CE2 4.04Å; L522-F552 HydrophobicContact CD1-CG 4.49Å; L522-F552 HydrophobicContact CD1-CZ 3.71Å; L522-F552 HydrophobicContact CD2-CB 4.06Å; L522-F552 HydrophobicContact CD2-CD1 4.01Å; L522-F552 HydrophobicContact CD2-CD2 3.72Å; L522-F552 HydrophobicContact CD2-CE1 4.41Å; L522-F552 HydrophobicContact CD2-CE2 4.13Å; L522-F552 HydrophobicContact CD2-CG 3.65Å; L522-F552 HydrophobicContact CD2-CZ 4.46Å; L522-F552 HydrophobicContact CG-CD2 4.03Å; L522-F552 HydrophobicContact CG-CE1 4.43Å; L522-F552 HydrophobicContact CG-CE2 3.92Å; L522-F552 HydrophobicContact CG-CG 4.33Å; L522-F552 HydrophobicContact CG-CZ 4.13Å; F540-F552 AromaticContact CD2-CD1 3.85Å; F540-F552 HydrophobicContact CD2-CD1 3.85Å; F540-F552 HydrophobicContact CD2-CE1 4.32Å; F540-F552 HydrophobicContact CE2-CD1 4.02Å; F540-F552 HydrophobicContact CE2-CE1 4.18Å; F552-L554 PolarHBondContact O-N 3.25Å; F552-W555 HydrophobicContact CD2-CE3 4Å; F552-W555 HydrophobicContact CD2-CZ3 4.2Å; F552-W555 HydrophobicContact CE2-CE3 4.02Å; F552-W555 AromaticContact CE2-CZ3 3.83Å; F552-W555 HydrophobicContact CE2-CZ3 3.83Å; F552-W555 VanDerWaalsContact O-CB 3.29Å; F552-W555 WeakPolarHBondContact O-CB 3.4Å; F552-W555 PolarHBondContact O-N 3.09Å; F552-I556 HydrophobicContact CD1-CG1 4.29Å; F552-I556 HydrophobicContact CE1-CG1 3.76Å; F552-I556 HydrophobicContact CE2-CD1 4.43Å; F552-I556 HydrophobicContact CE2-CG1 4.26Å; F552-I556 HydrophobicContact CZ-CD1 4.06Å; F552-I556 HydrophobicContact CZ-CG1 3.75Å; F552-I556 PolarHBondContact O-N 3.36Å; F552-I556 VanDerWaalsContact O-N 3.15Å
553W90.1Very high76.3Confident0 Ų049.8 Ų49.80%027%0.269CS..Hα-helixtrans-64.7-38.3-179.5175.2-103.5000113.1P461 W464 A465 L468 L498 Q501 F540 P551 W555 I556 E557P461-W553 PolarHBondContact O-NE1 3.18Å; W464-W553 AromaticContact CD1-CZ2 3.47Å; W464-W553 VanDerWaalsContact CD1-CZ2 3.47Å; A465-W553 HydrophobicContact CB-CB 4.48Å; A465-W553 HydrophobicContact CB-CD2 4.37Å; A465-W553 HydrophobicContact CB-CG 3.77Å; L468-W553 HydrophobicContact CD1-CD2 4.42Å; L468-W553 HydrophobicContact CD1-CE3 4.17Å; L468-W553 HydrophobicContact CD1-CH2 3.54Å; L468-W553 HydrophobicContact CD1-CZ2 3.83Å; L468-W553 HydrophobicContact CD1-CZ3 3.7Å; L498-W553 HydrophobicContact CD2-CE3 4.37Å; L498-W553 HydrophobicContact CD2-CZ3 4.07Å; Q501-W553 HydrophobicContact CB-CH2 4.37Å; Q501-W553 HydrophobicContact CG-CH2 3.74Å; Q501-W553 HydrophobicContact CG-CZ3 3.99Å; F540-W553 HydrophobicContact CD1-CB 4.25Å; F540-W553 HydrophobicContact CE1-CB 3.92Å; F540-W553 HydrophobicContact CE1-CD2 4.24Å; F540-W553 HydrophobicContact CE1-CE3 4.28Å; F540-W553 HydrophobicContact CE1-CG 4.06Å; F540-W553 HydrophobicContact CE2-CB 4.23Å; F540-W553 HydrophobicContact CE2-CE3 4Å; F540-W553 HydrophobicContact CZ-CB 3.91Å; F540-W553 AromaticContact CZ-CD2 3.83Å; F540-W553 HydrophobicContact CZ-CD2 3.83Å; F540-W553 AromaticContact CZ-CE3 3.44Å; F540-W553 HydrophobicContact CZ-CE3 3.44Å; F540-W553 VanDerWaalsContact CZ-CE3 3.44Å; F540-W553 HydrophobicContact CZ-CG 4.02Å; F540-W553 HydrophobicContact CZ-CZ3 4.36Å; F540-W553 WeakPolarHBondContact O-CB 3.45Å; F540-W553 PolarHBondContact O-N 3.24Å; P551-W553 VanDerWaalsContact C-N 3.33Å; P551-W553 PolarHBondContact O-N 3.5Å; W553-W555 VanDerWaalsContact C-N 3.25Å; W553-W555 PolarHBondContact O-N 3.43Å; W553-I556 HydrophobicContact CE3-CG2 4.46Å; W553-I556 HydrophobicContact CZ3-CG2 4.08Å; W553-I556 PolarHBondContact O-N 3.37Å; W553-E557 HydrophobicContact CZ2-CB 4.3Å; W553-E557 HydrophobicContact CZ2-CG 4.4Å; W553-E557 WeakPolarHBondContact O-CB 3.5Å; W553-E557 PolarHBondContact O-N 2.98Å
554L88.1Confident77.7Confident34 Ų3448.4 Ų48.418%0.17826%0.261CS..Hα-helixtrans-66.5-31.6178.5-68.6-176.8000112P461 P551 F552 G558P461-L554 HydrophobicContact CB-CD2 3.64Å; P551-L554 HydrophobicContact CB-CB 4.46Å; P551-L554 HydrophobicContact CB-CD1 4.34Å; P551-L554 HydrophobicContact CB-CG 4.26Å; P551-L554 HydrophobicContact CG-CD1 3.93Å; P551-L554 HydrophobicContact CG-CG 4.39Å; P551-L554 PolarHBondContact O-N 2.99Å; P551-L554 VanDerWaalsContact O-N 3.13Å; F552-L554 PolarHBondContact O-N 3.25Å; L554-G558 PolarHBondContact O-N 3.23Å
555W89.4Confident79.5Confident2 Ų252.2 Ų52.21%0.00827%0.265CS..Hα-helixtrans-64.9-50.2172.7178.550.8000112.5M517 L518 K521 F550 P551 F552 W553 E557 G558 I559 F579 S602 E603M517-W555 HydrophobicContact CE-CH2 4.45Å; L518-W555 HydrophobicContact CD2-CH2 4.14Å; L518-W555 HydrophobicContact CD2-CZ3 3.78Å; K521-W555 HydrophobicContact CD-CE3 4.44Å; K521-W555 HydrophobicContact CD-CH2 4.04Å; K521-W555 HydrophobicContact CD-CZ3 3.7Å; F550-W555 HydrophobicContact CD2-CB 3.72Å; F550-W555 HydrophobicContact CD2-CG 4.33Å; F550-W555 HydrophobicContact CE2-CB 3.4Å; F550-W555 VanDerWaalsContact CE2-CB 3.4Å; F550-W555 AromaticContact CE2-CD1 3.48Å; F550-W555 VanDerWaalsContact CE2-CD1 3.48Å; F550-W555 AromaticContact CE2-CG 3.51Å; F550-W555 HydrophobicContact CE2-CG 3.51Å; F550-W555 AromaticContact CZ-CD1 3.91Å; F550-W555 HydrophobicContact CZ-CG 4.35Å; P551-W555 PolarHBondContact O-N 3.22Å; F552-W555 HydrophobicContact CD2-CE3 4Å; F552-W555 HydrophobicContact CD2-CZ3 4.2Å; F552-W555 HydrophobicContact CE2-CE3 4.02Å; F552-W555 AromaticContact CE2-CZ3 3.83Å; F552-W555 HydrophobicContact CE2-CZ3 3.83Å; F552-W555 VanDerWaalsContact O-CB 3.29Å; F552-W555 WeakPolarHBondContact O-CB 3.4Å; F552-W555 PolarHBondContact O-N 3.09Å; W553-W555 VanDerWaalsContact C-N 3.25Å; W553-W555 PolarHBondContact O-N 3.43Å; W555-E557 VanDerWaalsContact C-N 3.27Å; W555-E557 PolarHBondContact O-N 2.89Å; W555-G558 PolarHBondContact O-N 3.07Å; W555-I559 HydrophobicContact CD2-CD1 4.07Å; W555-I559 HydrophobicContact CG-CD1 4.42Å; W555-I559 HydrophobicContact CH2-CD1 4.46Å; W555-I559 HydrophobicContact CZ2-CD1 3.75Å; W555-I559 WeakPolarHBondContact O-CG1 3.41Å; W555-I559 PolarHBondContact O-N 3.16Å; W555-F579 AromaticContact CH2-CD1 3.89Å; W555-F579 HydrophobicContact CH2-CD1 3.89Å; W555-F579 AromaticContact CH2-CE1 3.82Å; W555-F579 HydrophobicContact CH2-CE1 3.82Å; W555-F579 HydrophobicContact CZ2-CD1 4.48Å; W555-F579 HydrophobicContact CZ2-CE1 4.24Å; W555-F579 HydrophobicContact CZ3-CE1 4.26Å; W555-S602 PolarHBondContact NE1-O 3.44Å; W555-E603 HydrophobicContact CH2-CG 4.35Å; W555-E603 HydrophobicContact CZ2-CB 4.43Å; W555-E603 HydrophobicContact CZ2-CG 3.93Å
556I91.2Very high81.6Confident0 Ų049.8 Ų49.80%024%0.236CC..Hα-helixtrans-61.1-40.2177.4-66.5-63.4000110.6L498 F502 L518 F552 W553 I559 L560 F579L498-I556 HydrophobicContact CD2-CG2 4.46Å; F502-I556 HydrophobicContact CE2-CG2 3.88Å; F502-I556 HydrophobicContact CZ-CG2 4.13Å; L518-I556 HydrophobicContact CD2-CD1 3.97Å; F552-I556 HydrophobicContact CD1-CG1 4.29Å; F552-I556 HydrophobicContact CE1-CG1 3.76Å; F552-I556 HydrophobicContact CE2-CD1 4.43Å; F552-I556 HydrophobicContact CE2-CG1 4.26Å; F552-I556 HydrophobicContact CZ-CD1 4.06Å; F552-I556 HydrophobicContact CZ-CG1 3.75Å; F552-I556 PolarHBondContact O-N 3.36Å; F552-I556 VanDerWaalsContact O-N 3.15Å; W553-I556 HydrophobicContact CE3-CG2 4.46Å; W553-I556 HydrophobicContact CZ3-CG2 4.08Å; W553-I556 PolarHBondContact O-N 3.37Å; I556-I559 PolarHBondContact O-N 3.42Å; I556-L560 HydrophobicContact CG2-CD1 4.12Å; I556-L560 WeakPolarHBondContact O-CG 3.19Å; I556-L560 PolarHBondContact O-N 2.87Å; I556-F579 HydrophobicContact CD1-CE1 3.68Å; I556-F579 HydrophobicContact CD1-CZ 3.84Å
557E89.4Confident83.7Confident43 Ų4342.5 Ų42.520%0.20120%0.197CC..Hα-helixtrans-66.8-39.5177.5-161.4-86.4164.600112.5P461 W553 W555 I559 L560 D561P461-E557 HydrophobicContact CB-CB 4.37Å; P461-E557 HydrophobicContact CB-CG 3.87Å; P461-E557 HydrophobicContact CG-CG 4.22Å; P461-E557 VanDerWaalsContact CG-OE2 3.3Å; P461-E557 WeakPolarHBondContact CG-OE2 3.48Å; W553-E557 HydrophobicContact CZ2-CB 4.3Å; W553-E557 HydrophobicContact CZ2-CG 4.4Å; W553-E557 WeakPolarHBondContact O-CB 3.5Å; W553-E557 PolarHBondContact O-N 2.98Å; W555-E557 VanDerWaalsContact C-N 3.27Å; W555-E557 PolarHBondContact O-N 2.89Å; E557-I559 VanDerWaalsContact C-N 3.33Å; E557-I559 PolarHBondContact O-N 2.79Å; E557-L560 PolarHBondContact O-N 3.5Å; E557-D561 PolarHBondContact O-N 2.79Å
558G89.4Confident85.4Confident7 Ų740.1 Ų40.17%0.07219%0.188CC..Hα-helixtrans-59.9-41.8171.400000112.5L554 W555 D561 L562L554-G558 PolarHBondContact O-N 3.23Å; W555-G558 PolarHBondContact O-N 3.07Å; G558-D561 PolarHBondContact O-N 2.7Å; G558-L562 WeakPolarHBondContact O-CB 3.44Å; G558-L562 PolarHBondContact O-N 2.85Å
559I91.5Very high87Confident0 Ų031.8 Ų31.80%016%0.158CC..Hα-helixtrans-63-43.6173.4-69168.6000111.1F502 W555 I556 E557 L562 I563 F579 F601F502-I559 HydrophobicContact CE1-CG2 4.39Å; W555-I559 HydrophobicContact CD2-CD1 4.07Å; W555-I559 HydrophobicContact CG-CD1 4.42Å; W555-I559 HydrophobicContact CH2-CD1 4.46Å; W555-I559 HydrophobicContact CZ2-CD1 3.75Å; W555-I559 WeakPolarHBondContact O-CG1 3.41Å; W555-I559 PolarHBondContact O-N 3.16Å; I556-I559 PolarHBondContact O-N 3.42Å; E557-I559 VanDerWaalsContact C-N 3.33Å; E557-I559 PolarHBondContact O-N 2.79Å; I559-L562 WeakPolarHBondContact O-CB 3.26Å; I559-L562 PolarHBondContact O-N 3.32Å; I559-I563 HydrophobicContact CG2-CD1 3.78Å; I559-I563 HydrophobicContact CG2-CG1 4.31Å; I559-I563 VanDerWaalsContact O-CG1 3.31Å; I559-I563 WeakPolarHBondContact O-CG1 3.41Å; I559-I563 PolarHBondContact O-N 2.97Å; I559-F579 HydrophobicContact CD1-CE1 3.7Å; I559-F579 HydrophobicContact CD1-CZ 4.02Å; I559-F579 HydrophobicContact CG2-CZ 4.16Å; I559-F601 HydrophobicContact CD1-CB 3.63Å; I559-F601 HydrophobicContact CD1-CD2 4.25Å; I559-F601 HydrophobicContact CD1-CG 3.94Å; I559-F601 HydrophobicContact CG1-CB 4.08Å; I559-F601 HydrophobicContact CG1-CD1 4.31Å; I559-F601 HydrophobicContact CG1-CG 4.08Å; I559-F601 HydrophobicContact CG2-CD1 3.85Å; I559-F601 HydrophobicContact CG2-CD2 3.63Å; I559-F601 HydrophobicContact CG2-CE1 3.85Å; I559-F601 HydrophobicContact CG2-CE2 3.63Å; I559-F601 HydrophobicContact CG2-CG 3.75Å; I559-F601 HydrophobicContact CG2-CZ 3.76Å
560L90.9Very high88.3Confident5 Ų529.7 Ų29.73%0.02614%0.143CC..Hα-helixtrans-63.5-40.3177.4-76.5168.4000112.3Q501 F502 I556 E557 L562 I563 K564Q501-L560 HydrophobicContact CB-CD1 3.93Å; F502-L560 HydrophobicContact CB-CD2 4.4Å; F502-L560 HydrophobicContact CD1-CD2 3.52Å; F502-L560 HydrophobicContact CD2-CD2 3.97Å; F502-L560 HydrophobicContact CE1-CD2 3.58Å; F502-L560 HydrophobicContact CE1-CG 4.13Å; F502-L560 HydrophobicContact CE2-CD1 4.35Å; F502-L560 HydrophobicContact CE2-CD2 4.02Å; F502-L560 HydrophobicContact CE2-CG 4.2Å; F502-L560 HydrophobicContact CG-CD2 3.71Å; F502-L560 HydrophobicContact CZ-CD2 3.82Å; F502-L560 HydrophobicContact CZ-CG 3.94Å; I556-L560 HydrophobicContact CG2-CD1 4.12Å; I556-L560 WeakPolarHBondContact O-CG 3.19Å; I556-L560 PolarHBondContact O-N 2.87Å; E557-L560 PolarHBondContact O-N 3.5Å; L560-L562 VanDerWaalsContact C-N 3.34Å; L560-I563 PolarHBondContact O-N 3.27Å; L560-K564 VanDerWaalsContact O-CB 3.24Å; L560-K564 WeakPolarHBondContact O-CB 3.32Å; L560-K564 PolarHBondContact O-N 3.28Å
561D90.1Very high89.1Confident43 Ų4327.7 Ų27.723%0.2313%0.134CC..Hα-helixtrans-64.2-39.6174-169.165.9000111.1E557 G558 R565 K633E557-D561 PolarHBondContact O-N 2.79Å; G558-D561 PolarHBondContact O-N 2.7Å; D561-R565 WeakPolarHBondContact O-CB 3.48Å; D561-R565 WeakPolarHBondContact O-CG 3.17Å; D561-R565 PolarHBondContact O-N 3.15Å; D561-R565 VanDerWaalsContact O-N 3.13Å; D561-R565 IonicContact OD1-CZ 3.15Å; D561-R565 IonicContact OD1-NE 2.67Å; D561-R565 PolarHBondContact OD1-NE 3.31Å; D561-R565 IonicContact OD1-NH2 3.02Å; D561-R565 PolarHBondContact OD1-NH2 2.79Å; D561-R565 IonicContact OD2-CZ 2.9Å; D561-R565 IonicContact OD2-NE 3.3Å; D561-R565 PolarHBondContact OD2-NE 3.37Å; D561-R565 IonicContact OD2-NH2 2.69Å; D561-K633 IonicContact OD2-NZ 2.79Å; D561-K633 PolarHBondContact OD2-NZ 2.88Å
562L91.3Very high89.2Confident1 Ų128.7 Ų28.71%0.00514%0.139CC..Hα-helixtrans-61.5-48.9175.5-166.473.3000111.6G558 I559 L560 R565 H566 L567 I610 K633 L636G558-L562 WeakPolarHBondContact O-CB 3.44Å; G558-L562 PolarHBondContact O-N 2.85Å; I559-L562 WeakPolarHBondContact O-CB 3.26Å; I559-L562 PolarHBondContact O-N 3.32Å; L560-L562 VanDerWaalsContact C-N 3.34Å; L562-R565 PolarHBondContact O-N 2.93Å; L562-H566 PolarHBondContact O-N 3.35Å; L562-L567 HydrophobicContact CD2-CD1 4.04Å; L562-L567 HydrophobicContact CG-CD1 4.13Å; L562-I610 HydrophobicContact CD2-CB 4.36Å; L562-K633 HydrophobicContact CD1-CB 4.3Å; L562-L636 HydrophobicContact CD1-CD1 3.7Å; L562-L636 HydrophobicContact CD2-CD1 4.43Å; L562-L636 HydrophobicContact CG-CD1 4.17Å
563I91.4Very high89Confident0 Ų032.3 Ų32.30%016%0.159CC..Iπ-helixtrans-61.3-50.8178.7-65.9165.5000109.9F502 T506 I559 L560 R565 L567 L568 W571 F601F502-I563 HydrophobicContact CD1-CD1 4.1Å; F502-I563 HydrophobicContact CE1-CD1 3.68Å; T506-I563 HydrophobicContact CG2-CG2 3.74Å; I559-I563 HydrophobicContact CG2-CD1 3.78Å; I559-I563 HydrophobicContact CG2-CG1 4.31Å; I559-I563 VanDerWaalsContact O-CG1 3.31Å; I559-I563 WeakPolarHBondContact O-CG1 3.41Å; I559-I563 PolarHBondContact O-N 2.97Å; L560-I563 PolarHBondContact O-N 3.27Å; I563-R565 PolarHBondContact O-N 3.27Å; I563-L567 CarbonylContact O-C 3.57Å; I563-L567 PolarHBondContact O-N 3.04Å; I563-L568 WeakPolarHBondContact O-CA 3.3Å; I563-L568 PolarHBondContact O-N 3.48Å; I563-W571 HydrophobicContact CD1-CD2 4.06Å; I563-W571 HydrophobicContact CD1-CE3 4.11Å; I563-W571 HydrophobicContact CD1-CG 4.47Å; I563-W571 HydrophobicContact CG2-CB 3.75Å; I563-W571 HydrophobicContact CG2-CG 3.84Å; I563-F601 HydrophobicContact CD1-CE1 4.39Å; I563-F601 HydrophobicContact CD1-CE2 4.03Å; I563-F601 HydrophobicContact CD1-CZ 3.57Å; I563-F601 HydrophobicContact CG1-CE1 4.11Å; I563-F601 HydrophobicContact CG1-CZ 3.66Å
564K89.4Confident88.7Confident96 Ų9633.8 Ų33.842%0.41717%0.174SC..Iπ-helixtrans-57.7-36.9-176.5-174.3179.7179.8179.50112.9V505 L560V505-K564 HydrophobicContact CG1-CB 3.88Å; V505-K564 HydrophobicContact CG1-CD 3.94Å; V505-K564 HydrophobicContact CG1-CG 3.97Å; L560-K564 VanDerWaalsContact O-CB 3.24Å; L560-K564 WeakPolarHBondContact O-CB 3.32Å; L560-K564 PolarHBondContact O-N 3.28Å
565R88.3Confident88.6Confident146 Ų14633 Ų3355%0.55117%0.171SC*.Iπ-helixtrans-91.1-36.7-174.8-67.2179.8-167.2-108.1-1.1114.2D561 L562 I563 K633D561-R565 WeakPolarHBondContact O-CB 3.48Å; D561-R565 WeakPolarHBondContact O-CG 3.17Å; D561-R565 PolarHBondContact O-N 3.15Å; D561-R565 VanDerWaalsContact O-N 3.13Å; D561-R565 IonicContact OD1-CZ 3.15Å; D561-R565 IonicContact OD1-NE 2.67Å; D561-R565 PolarHBondContact OD1-NE 3.31Å; D561-R565 IonicContact OD1-NH2 3.02Å; D561-R565 PolarHBondContact OD1-NH2 2.79Å; D561-R565 IonicContact OD2-CZ 2.9Å; D561-R565 IonicContact OD2-NE 3.3Å; D561-R565 PolarHBondContact OD2-NE 3.37Å; D561-R565 IonicContact OD2-NH2 2.69Å; L562-R565 PolarHBondContact O-N 2.93Å; I563-R565 PolarHBondContact O-N 3.27Å; R565-K633 VanDerWaalsContact CD-CE 3.48Å; R565-K633 VanDerWaalsContact CD-NZ 3.29Å; R565-K633 VanDerWaalsContact NE-NZ 3.11Å
566H88Confident88.6Confident52 Ų5233 Ų3324%0.24117%0.171CC..Iπ-helixtrans-126.5-21.2-167.4-60.7-80.2000114.4L562 K633 L636 S637L562-H566 PolarHBondContact O-N 3.35Å; H566-K633 WeakPolarHBondContact NE2-CG 3.4Å; H566-L636 HydrophobicContact CB-CB 4.12Å; H566-L636 HydrophobicContact CB-CD1 4.14Å; H566-L636 PolarHBondContact ND1-O 3.02Å; H566-S637 PolarHBondContact CE1-OG 3.42Å
567L89.4Confident88.3Confident0 Ų034.8 Ų34.80%018%0.18CC..Iπ-helixtrans-12616-169.7-46.6170.2000113.9L562 I563 S569 L570 W571 I576 F601 I610 L636 L641L562-L567 HydrophobicContact CD2-CD1 4.04Å; L562-L567 HydrophobicContact CG-CD1 4.13Å; I563-L567 CarbonylContact O-C 3.57Å; I563-L567 PolarHBondContact O-N 3.04Å; L567-S569 PolarHBondContact O-N 2.81Å; L567-L570 HydrophobicContact CD2-CD1 3.93Å; L567-L570 PolarHBondContact O-N 3.08Å; L567-W571 VanDerWaalsContact O-CB 3.3Å; L567-W571 WeakPolarHBondContact O-CB 3.38Å; L567-W571 PolarHBondContact O-N 3.3Å; L567-I576 HydrophobicContact CB-CD1 3.92Å; L567-I576 HydrophobicContact CD1-CD1 4.24Å; L567-F601 HydrophobicContact CD1-CE1 4.1Å; L567-I610 HydrophobicContact CD1-CB 4.22Å; L567-I610 HydrophobicContact CD1-CD1 3.67Å; L567-I610 HydrophobicContact CD1-CG2 4.26Å; L567-L636 HydrophobicContact CD2-CD1 4.42Å; L567-L641 HydrophobicContact CD2-CB 3.82Å; L567-L641 HydrophobicContact CD2-CD2 3.53Å; L567-L641 HydrophobicContact CD2-CG 4.31Å
568L88.6Confident88.3Confident70 Ų7032.8 Ų32.837%0.36617%0.171SC..Hα-helixtrans-59.6-47.1-169.5-175.165.2000112.2T506 I563 N572T506-L568 HydrophobicContact CG2-CD1 3.86Å; I563-L568 WeakPolarHBondContact O-CA 3.3Å; I563-L568 PolarHBondContact O-N 3.48Å; L568-N572 WeakPolarHBondContact O-CB 3.17Å; L568-N572 PolarHBondContact O-N 3.31Å; L568-N572 PolarHBondContact O-ND2 2.81Å; L568-N572 VanDerWaalsContact O-ND2 3.1Å; L568-N572 PolarHBondContact O-OD1 2.91Å
569S86.1Confident88.3Confident50 Ų5032.6 Ų32.635%0.3517%0.168SC..Hα-helixtrans-67.5-46.5179.956.40000112.3L567 W571 N572 D573 Y677L567-S569 PolarHBondContact O-N 2.81Å; S569-W571 VanDerWaalsContact C-N 3.28Å; S569-W571 PolarHBondContact O-N 3.28Å; S569-N572 PolarHBondContact O-N 3Å; S569-D573 PolarHBondContact O-N 3.04Å; S569-Y677 PolarHBondContact O-OH 3.11Å; S569-Y677 VanDerWaalsContact OG-CE1 3.24Å; S569-Y677 WeakPolarHBondContact OG-CE1 3.26Å
570L87.2Confident88Confident2 Ų233.1 Ų33.11%0.0117%0.171CC..Hα-helixtrans-60.7-37.4178.7-64.5156.4000112.6L567 C575 I576 L641 P642 F674 Y677L567-L570 HydrophobicContact CD2-CD1 3.93Å; L567-L570 PolarHBondContact O-N 3.08Å; L570-C575 PolarHBondContact O-N 2.81Å; L570-C575 VanDerWaalsContact O-N 3.13Å; L570-I576 HydrophobicContact CB-CD1 3.74Å; L570-I576 HydrophobicContact CB-CG1 4.18Å; L570-L641 HydrophobicContact CD1-CB 4.31Å; L570-L641 HydrophobicContact CD1-CD2 4.33Å; L570-P642 HydrophobicContact CD1-CG 3.93Å; L570-P642 HydrophobicContact CD2-CG 4.03Å; L570-P642 HydrophobicContact CG-CG 4.43Å; L570-F674 HydrophobicContact CD2-CD1 3.53Å; L570-F674 HydrophobicContact CD2-CE1 3.6Å; L570-Y677 HydrophobicContact CD2-CD2 3.74Å; L570-Y677 HydrophobicContact CD2-CE2 3.94Å; L570-Y677 HydrophobicContact CD2-CG 4.33Å
571W89.6Confident87.7Confident0 Ų034.9 Ų34.90%018%0.184CC..Hα-helixtrans-68.4-51.9174.1178-98.9000110.5F502 T506 R508 L510 I563 L567 S569 D573 G574 I576 F579 F601F502-W571 HydrophobicContact CD1-CH2 4.21Å; F502-W571 AromaticContact CD1-CZ2 3.58Å; F502-W571 HydrophobicContact CD1-CZ2 3.58Å; F502-W571 HydrophobicContact CE1-CH2 4.38Å; F502-W571 HydrophobicContact CE1-CZ2 4.2Å; F502-W571 HydrophobicContact CG-CZ2 4.36Å; T506-W571 VanDerWaalsContact OG1-CD1 3.29Å; T506-W571 PolarHBondContact OG1-NE1 3.15Å; T506-W571 VanDerWaalsContact OG1-NE1 3.08Å; R508-W571 WeakPolarHBondContact CD-O 3.38Å; R508-W571 HydrophobicContact CG-CG 4.44Å; L510-W571 HydrophobicContact CD2-CH2 4.01Å; L510-W571 HydrophobicContact CD2-CZ2 4.11Å; I563-W571 HydrophobicContact CD1-CD2 4.06Å; I563-W571 HydrophobicContact CD1-CE3 4.11Å; I563-W571 HydrophobicContact CD1-CG 4.47Å; I563-W571 HydrophobicContact CG2-CB 3.75Å; I563-W571 HydrophobicContact CG2-CG 3.84Å; L567-W571 VanDerWaalsContact O-CB 3.3Å; L567-W571 WeakPolarHBondContact O-CB 3.38Å; L567-W571 PolarHBondContact O-N 3.3Å; S569-W571 VanDerWaalsContact C-N 3.28Å; S569-W571 PolarHBondContact O-N 3.28Å; W571-D573 VanDerWaalsContact C-N 3.3Å; W571-D573 PolarHBondContact O-N 3.23Å; W571-G574 WeakPolarHBondContact O-CA 3.42Å; W571-G574 PolarHBondContact O-N 3.4Å; W571-I576 HydrophobicContact CB-CD1 4.42Å; W571-I576 HydrophobicContact CE3-CB 4.06Å; W571-I576 HydrophobicContact CE3-CG2 4.01Å; W571-I576 HydrophobicContact CZ3-CG2 4.2Å; W571-F579 HydrophobicContact CH2-CE2 4.49Å; W571-F601 HydrophobicContact CE3-CE2 4.27Å; W571-F601 HydrophobicContact CE3-CZ 4.22Å; W571-F601 AromaticContact CZ3-CE2 3.8Å; W571-F601 HydrophobicContact CZ3-CE2 3.8Å; W571-F601 HydrophobicContact CZ3-CZ 4.22Å
572N86.4Confident87.3Confident37 Ų3738.9 Ų38.920%0.19820%0.199CC..Hα-helixtrans-55.4-43.9-178-69-21.9000112.4T506 K507 L568 S569 G574T506-N572 WeakPolarHBondContact CB-OD1 3.25Å; K507-N572 HydrophobicContact CB-CB 4.34Å; K507-N572 PolarHBondContact N-OD1 2.85Å; L568-N572 WeakPolarHBondContact O-CB 3.17Å; L568-N572 PolarHBondContact O-N 3.31Å; L568-N572 PolarHBondContact O-ND2 2.81Å; L568-N572 VanDerWaalsContact O-ND2 3.1Å; L568-N572 PolarHBondContact O-OD1 2.91Å; S569-N572 PolarHBondContact O-N 3Å; N572-G574 PolarHBondContact O-N 3.32Å
573D83.3Confident87Confident90 Ų9046.6 Ų46.648%0.48124%0.235SC..THydrogen-bonded Turntrans-71.8-8.7178-76.316.1000113.7S569 W571 C575 Y677S569-D573 PolarHBondContact O-N 3.04Å; W571-D573 VanDerWaalsContact C-N 3.3Å; W571-D573 PolarHBondContact O-N 3.23Å; D573-C575 VanDerWaalsContact C-N 3.35Å; D573-C575 PolarHBondContact O-N 3.26Å; D573-Y677 PolarHBondContact OD2-OH 3.13Å
574G84.4Confident86.5Confident31 Ų3150.3 Ų50.332%0.3225%0.249SC..THydrogen-bonded Turntrans75.418.9179.400000115.6W571 N572 I576W571-G574 WeakPolarHBondContact O-CA 3.42Å; W571-G574 PolarHBondContact O-N 3.4Å; N572-G574 PolarHBondContact O-N 3.32Å; G574-I576 PolarHBondContact O-N 3.3Å
575C85.6Confident86.3Confident18 Ų1846 Ų4612%0.12223%0.23CC..  trans-68.7-17.2173.5-55.20000112.5L570 D573 L664 F674L570-C575 PolarHBondContact O-N 2.81Å; L570-C575 VanDerWaalsContact O-N 3.13Å; D573-C575 VanDerWaalsContact C-N 3.35Å; D573-C575 PolarHBondContact O-N 3.26Å; C575-L664 HydrophobicContact CB-CD2 4.04Å; C575-F674 HydrophobicContact CB-CE1 4.15Å; C575-F674 HydrophobicContact CB-CZ 4.33Å
576I88.5Confident86.1Confident2 Ų244 Ų441%0.0123%0.226CC..  trans-104.1117.6-178.8-59.9172.4000110.1L567 L570 W571 G574 L599 F601 I610L567-I576 HydrophobicContact CB-CD1 3.92Å; L567-I576 HydrophobicContact CD1-CD1 4.24Å; L570-I576 HydrophobicContact CB-CD1 3.74Å; L570-I576 HydrophobicContact CB-CG1 4.18Å; W571-I576 HydrophobicContact CB-CD1 4.42Å; W571-I576 HydrophobicContact CE3-CB 4.06Å; W571-I576 HydrophobicContact CE3-CG2 4.01Å; W571-I576 HydrophobicContact CZ3-CG2 4.2Å; G574-I576 PolarHBondContact O-N 3.3Å; I576-L599 HydrophobicContact CG1-CB 4.41Å; I576-L599 HydrophobicContact CG1-CD1 3.84Å; I576-L599 HydrophobicContact CG2-CB 4.33Å; I576-F601 HydrophobicContact CG2-CE2 4.27Å; I576-F601 HydrophobicContact CG2-CZ 3.98Å; I576-I610 HydrophobicContact CD1-CD1 3.99Å; I576-I610 HydrophobicContact CG1-CD1 4.31Å; I576-I610 HydrophobicContact CG2-CD1 4.27Å
577M84.7Confident85.9Confident37 Ų3744.4 Ų44.418%0.18224%0.238CC..  trans-72.6-36.4171.6-68.4-71-8500111.7Q514 F579 I580 L599 Y665Q514-M577 WeakPolarHBondContact CG-O 3.35Å; Q514-M577 PolarHBondContact NE2-O 3.44Å; M577-F579 PolarHBondContact O-N 2.94Å; M577-I580 HydrophobicContact CB-CD1 3.39Å; M577-I580 HydrophobicContact CB-CG1 4.21Å; M577-I580 HydrophobicContact CE-CD1 3.91Å; M577-I580 HydrophobicContact CG-CD1 3.96Å; M577-L599 PolarHBondContact N-O 2.94Å; M577-Y665 HydrophobicContact CE-CD1 4.11Å; M577-Y665 HydrophobicContact CE-CE1 4.02Å; M577-Y665 HydrophobicContact SD-CD1 4.42Å
578G89.5Confident85.6Confident1 Ų146 Ų461%0.0125%0.246CC..BIsolated β-bridgetrans76.3-80.6168.500000113.8L599 R600 F601G578-L599 PolarHBondContact N-O 2.94Å; G578-R600 CarbonylContact O-C 3.56Å; G578-R600 VanDerWaalsContact O-CA 3.3Å; G578-R600 WeakPolarHBondContact O-CA 3.37Å; G578-R600 WeakPolarHBondContact O-CB 3.46Å; G578-F601 VanDerWaalsContact CA-CD2 3.46Å; G578-F601 PolarHBondContact O-N 3.25Å
579F89.4Confident85.4Confident3 Ų342.7 Ų42.71%0.01323%0.229CC..  trans-102.593.7-172.1-59.7-79000111.7F502 L510 Q514 M517 L518 W555 I556 I559 W571 M577 F601F502-F579 AromaticContact CE1-CE2 3.96Å; F502-F579 HydrophobicContact CE1-CE2 3.96Å; F502-F579 HydrophobicContact CE1-CZ 4.21Å; F502-F579 AromaticContact CZ-CE2 3.74Å; F502-F579 HydrophobicContact CZ-CE2 3.74Å; F502-F579 AromaticContact CZ-CZ 3.68Å; F502-F579 HydrophobicContact CZ-CZ 3.68Å; L510-F579 HydrophobicContact CD2-CD2 3.86Å; L510-F579 HydrophobicContact CD2-CE2 3.61Å; Q514-F579 HydrophobicContact CB-CB 3.96Å; Q514-F579 HydrophobicContact CB-CD2 4.06Å; Q514-F579 HydrophobicContact CB-CG 4.46Å; Q514-F579 HydrophobicContact CG-CB 4.05Å; Q514-F579 HydrophobicContact CG-CD2 4.12Å; M517-F579 HydrophobicContact CB-CB 4.44Å; M517-F579 HydrophobicContact CE-CB 4.26Å; M517-F579 HydrophobicContact CE-CD1 4.47Å; M517-F579 HydrophobicContact CG-CB 4.5Å; M517-F579 HydrophobicContact SD-CB 4.15Å; L518-F579 HydrophobicContact CD1-CG 4.49Å; L518-F579 HydrophobicContact CD2-CD1 3.63Å; L518-F579 HydrophobicContact CD2-CE1 3.92Å; L518-F579 HydrophobicContact CD2-CG 4.22Å; L518-F579 HydrophobicContact CG-CD1 4.24Å; L518-F579 HydrophobicContact CG-CG 4.33Å; W555-F579 AromaticContact CH2-CD1 3.89Å; W555-F579 HydrophobicContact CH2-CD1 3.89Å; W555-F579 AromaticContact CH2-CE1 3.82Å; W555-F579 HydrophobicContact CH2-CE1 3.82Å; W555-F579 HydrophobicContact CZ2-CD1 4.48Å; W555-F579 HydrophobicContact CZ2-CE1 4.24Å; W555-F579 HydrophobicContact CZ3-CE1 4.26Å; I556-F579 HydrophobicContact CD1-CE1 3.68Å; I556-F579 HydrophobicContact CD1-CZ 3.84Å; I559-F579 HydrophobicContact CD1-CE1 3.7Å; I559-F579 HydrophobicContact CD1-CZ 4.02Å; I559-F579 HydrophobicContact CG2-CZ 4.16Å; W571-F579 HydrophobicContact CH2-CE2 4.49Å; M577-F579 PolarHBondContact O-N 2.94Å; F579-F601 HydrophobicContact CD2-CD2 4.48Å; F579-F601 HydrophobicContact CE1-CD2 4.23Å; F579-F601 HydrophobicContact CE2-CD2 4.11Å; F579-F601 HydrophobicContact CE2-CE2 4.24Å; F579-F601 AromaticContact CZ-CD2 3.98Å; F579-F601 HydrophobicContact CZ-CD2 3.98Å; F579-F601 HydrophobicContact CZ-CE2 4.41Å
580I85.9Confident85.1Confident12 Ų1242.3 Ų42.36%0.06223%0.226CC..  trans-134.9140.5174.8-57165.4000109.4M577 R584 E585 L598M577-I580 HydrophobicContact CB-CD1 3.39Å; M577-I580 HydrophobicContact CB-CG1 4.21Å; M577-I580 HydrophobicContact CE-CD1 3.91Å; M577-I580 HydrophobicContact CG-CD1 3.96Å; I580-R584 HydrophobicContact CG2-CB 4Å; I580-R584 HydrophobicContact CG2-CG 4.34Å; I580-E585 HydrophobicContact CG2-CB 3.99Å; I580-L598 HydrophobicContact CD1-CD1 4.1Å
581S84.3Confident84.6Confident41 Ų4149 Ų4929%0.28726%0.262SS..  trans-75.4148.9172.966.60000111.4E583 R584 E585S581-E583 PolarHBondContact O-N 3.43Å; S581-E583 VanDerWaalsContact O-N 3.13Å; S581-R584 PolarHBondContact O-N 3.06Å; S581-R584 WeakPolarHBondContact OG-CB 3.46Å; S581-R584 PolarHBondContact OG-N 3.42Å; S581-E585 WeakPolarHBondContact O-CB 3.36Å; S581-E585 PolarHBondContact O-N 3.42Å
582K82.9Confident84.1Confident127 Ų12751.4 Ų51.455%0.55227%0.272SS*.Hα-helixtrans-55.5-33.5179.2-66.7-175.2179.9-1780113.7K586K582-K586 WeakPolarHBondContact O-CG 3.29Å; K582-K586 PolarHBondContact O-N 3.48Å
583E83.6Confident83.7Confident164 Ų16453.3 Ų53.377%0.76629%0.288SS*.Hα-helixtrans-68.6-45.1177.6-66.9168.5-171.900111.5S581 K586 A587S581-E583 PolarHBondContact O-N 3.43Å; S581-E583 VanDerWaalsContact O-N 3.13Å; E583-K586 PolarHBondContact O-N 2.83Å; E583-A587 PolarHBondContact O-N 2.93Å; E583-A587 VanDerWaalsContact O-N 3.11Å
584R82.5Confident83.5Confident77 Ų7752 Ų5229%0.29128%0.284SS..Hα-helixtrans-73.3-36.4-179.7-168.9166.5-170.9-162.8-5.5112E513 I580 S581 K586 A587 L588E513-R584 IonicContact OE1-CZ 3.38Å; E513-R584 IonicContact OE1-NH1 3.68Å; E513-R584 IonicContact OE1-NH2 2.68Å; E513-R584 PolarHBondContact OE1-NH2 3.04Å; I580-R584 HydrophobicContact CG2-CB 4Å; I580-R584 HydrophobicContact CG2-CG 4.34Å; S581-R584 PolarHBondContact O-N 3.06Å; S581-R584 WeakPolarHBondContact OG-CB 3.46Å; S581-R584 PolarHBondContact OG-N 3.42Å; R584-K586 VanDerWaalsContact C-N 3.32Å; R584-K586 PolarHBondContact O-N 2.96Å; R584-A587 PolarHBondContact O-N 3.25Å; R584-L588 HydrophobicContact CG-CD1 4.35Å; R584-L588 HydrophobicContact CG-CG 4.39Å; R584-L588 VanDerWaalsContact O-CG 3.3Å; R584-L588 WeakPolarHBondContact O-CG 3.3Å; R584-L588 PolarHBondContact O-N 2.97Å
585E84.1Confident83.3Confident5 Ų550.7 Ų50.72%0.02327%0.271CS..Hα-helixtrans-53.4-49.4170.9162.6173.9-124.900111.2I580 S581 A587 L588 L589 L598 R600 T613I580-E585 HydrophobicContact CG2-CB 3.99Å; S581-E585 WeakPolarHBondContact O-CB 3.36Å; S581-E585 PolarHBondContact O-N 3.42Å; E585-A587 PolarHBondContact O-N 3.09Å; E585-L588 PolarHBondContact O-N 3Å; E585-L589 HydrophobicContact CG-CD1 4.16Å; E585-L589 WeakPolarHBondContact O-CB 3.47Å; E585-L589 WeakPolarHBondContact O-CG 3.43Å; E585-L589 PolarHBondContact O-N 2.74Å; E585-L598 HydrophobicContact CG-CD1 4.07Å; E585-L598 HydrophobicContact CG-CD2 4.07Å; E585-L598 HydrophobicContact CG-CG 4.44Å; E585-L598 WeakPolarHBondContact OE1-CD1 3.39Å; E585-R600 VanDerWaalsContact CD-NE 3.26Å; E585-R600 VanDerWaalsContact OE1-CD 3.26Å; E585-R600 WeakPolarHBondContact OE1-CD 3.46Å; E585-R600 IonicContact OE1-CZ 3.93Å; E585-R600 IonicContact OE1-NE 2.91Å; E585-R600 PolarHBondContact OE1-NE 3.49Å; E585-R600 IonicContact OE2-CZ 3.3Å; E585-R600 IonicContact OE2-NE 2.9Å; E585-R600 PolarHBondContact OE2-NE 2.8Å; E585-R600 IonicContact OE2-NH2 2.84Å; E585-T613 HydrophobicContact CG-CG2 4.23Å; E585-T613 WeakPolarHBondContact OE1-CB 3.33Å; E585-T613 PolarHBondContact OE1-OG1 3.01Å
586K83.4Confident83.3Confident106 Ų10649.8 Ų49.846%0.46127%0.265SS..Hα-helixtrans-62.7-42.6176.2-71.1176.8-179.8-174.20112.2K582 E583 R584 L588 L589 S590 Y625K582-K586 WeakPolarHBondContact O-CG 3.29Å; K582-K586 PolarHBondContact O-N 3.48Å; E583-K586 PolarHBondContact O-N 2.83Å; R584-K586 VanDerWaalsContact C-N 3.32Å; R584-K586 PolarHBondContact O-N 2.96Å; K586-L588 VanDerWaalsContact C-N 3.33Å; K586-L588 PolarHBondContact O-N 3.41Å; K586-L589 PolarHBondContact O-N 3.3Å; K586-S590 VanDerWaalsContact O-CB 3.31Å; K586-S590 WeakPolarHBondContact O-CB 3.37Å; K586-S590 PolarHBondContact O-N 2.88Å; K586-Y625 HydrophobicContact CB-CD1 4.48Å; K586-Y625 HydrophobicContact CB-CE1 4.03Å; K586-Y625 HydrophobicContact CB-CE2 4.27Å; K586-Y625 HydrophobicContact CD-CD2 4.21Å; K586-Y625 HydrophobicContact CD-CE2 4.29Å; K586-Y625 HydrophobicContact CG-CD1 4.04Å; K586-Y625 HydrophobicContact CG-CD2 4Å; K586-Y625 HydrophobicContact CG-CE1 4.07Å; K586-Y625 HydrophobicContact CG-CE2 4.04Å; K586-Y625 HydrophobicContact CG-CG 3.99Å; K586-Y625 PolarHBondContact O-OH 3.45Å
587A84.4Confident83.2Confident59 Ų5949.7 Ų49.749%0.48826%0.264SS..Hα-helixtrans-65.4-33.1178.500000113.5E583 R584 E585 S590E583-A587 PolarHBondContact O-N 2.93Å; E583-A587 VanDerWaalsContact O-N 3.11Å; R584-A587 PolarHBondContact O-N 3.25Å; E585-A587 PolarHBondContact O-N 3.09Å; A587-S590 PolarHBondContact O-OG 3.3Å; A587-S590 VanDerWaalsContact O-OG 3.11Å
588L84.2Confident83.4Confident35 Ų3548 Ų4818%0.18326%0.256CS..Hα-helixtrans-74.8-35176.4-69175.3000112R584 E585 K586 K592 Y665R584-L588 HydrophobicContact CG-CD1 4.35Å; R584-L588 HydrophobicContact CG-CG 4.39Å; R584-L588 VanDerWaalsContact O-CG 3.3Å; R584-L588 WeakPolarHBondContact O-CG 3.3Å; R584-L588 PolarHBondContact O-N 2.97Å; E585-L588 PolarHBondContact O-N 3Å; K586-L588 VanDerWaalsContact C-N 3.33Å; K586-L588 PolarHBondContact O-N 3.41Å; L588-K592 WeakPolarHBondContact O-CG 3.43Å; L588-Y665 HydrophobicContact CB-CE2 4.17Å
589L82.8Confident83.4Confident0 Ų048 Ų480%026%0.256CS..Hα-helixtrans-81.4-30.3179.5-72.5174.1000112.9E585 K586 N591 K592 T596 L598 T613 I615 Y625E585-L589 HydrophobicContact CG-CD1 4.16Å; E585-L589 WeakPolarHBondContact O-CB 3.47Å; E585-L589 WeakPolarHBondContact O-CG 3.43Å; E585-L589 PolarHBondContact O-N 2.74Å; K586-L589 PolarHBondContact O-N 3.3Å; L589-N591 PolarHBondContact O-N 3.42Å; L589-K592 PolarHBondContact O-N 3.3Å; L589-T596 HydrophobicContact CD2-CG2 4.21Å; L589-L598 HydrophobicContact CD1-CD2 3.73Å; L589-L598 HydrophobicContact CD1-CG 4.25Å; L589-L598 HydrophobicContact CD2-CD2 3.89Å; L589-L598 HydrophobicContact CG-CD2 3.61Å; L589-T613 HydrophobicContact CD1-CG2 3.89Å; L589-I615 HydrophobicContact CB-CB 4.34Å; L589-I615 HydrophobicContact CD2-CG2 4.48Å; L589-I615 WeakPolarHBondContact O-CD1 3.49Å; L589-Y625 HydrophobicContact CB-CD1 4.2Å; L589-Y625 HydrophobicContact CB-CE1 3.81Å; L589-Y625 HydrophobicContact CD1-CD1 4.24Å
590S80.3Confident83.5Confident41 Ų4148.7 Ų48.729%0.28726%0.258SS..THydrogen-bonded Turntrans-58-26.4-174.465.20000114.5K586 A587 Y625K586-S590 VanDerWaalsContact O-CB 3.31Å; K586-S590 WeakPolarHBondContact O-CB 3.37Å; K586-S590 PolarHBondContact O-N 2.88Å; A587-S590 PolarHBondContact O-OG 3.3Å; A587-S590 VanDerWaalsContact O-OG 3.11Å; S590-Y625 VanDerWaalsContact CB-OH 3.27Å; S590-Y625 WeakPolarHBondContact CB-OH 3.28Å
591N76.9Confident83.8Confident143 Ų14348.2 Ų48.277%0.76526%0.256SS*.THydrogen-bonded Turntrans-103.916.4-176.5-63.2-2.1000112.5L589L589-N591 PolarHBondContact O-N 3.42Å
592K80Confident84Confident51 Ų5146.6 Ų46.622%0.22224%0.244CC..SBendtrans-118.6162.3-174.1-67.7-62.7-170175.80112.4L588 L589 T596 Y665 P666 D667L588-K592 WeakPolarHBondContact O-CG 3.43Å; L589-K592 PolarHBondContact O-N 3.3Å; K592-T596 HydrophobicContact CB-CG2 4.12Å; K592-T596 HydrophobicContact CG-CG2 4.46Å; K592-Y665 HydrophobicContact CG-CD2 4.45Å; K592-Y665 HydrophobicContact CG-CE2 4.45Å; K592-P666 WeakPolarHBondContact CE-O 3.42Å; K592-P666 PolarHBondContact NZ-O 2.69Å; K592-D667 IonicContact NZ-OD1 3.13Å; K592-D667 PolarHBondContact NZ-OD1 3.47Å; K592-D667 IonicContact NZ-OD2 3.48Å; K592-D667 PolarHBondContact NZ-OD2 3.11Å
593C76.4Confident84Confident76 Ų7643.3 Ų43.351%0.51423%0.231SC..  trans-66.4147.9-177.9-64.50000111.6G595 T596C593-G595 PolarHBondContact O-N 3.36Å; C593-T596 VanDerWaalsContact O-CB 3.29Å; C593-T596 WeakPolarHBondContact O-CB 3.36Å; C593-T596 PolarHBondContact O-N 2.89Å; C593-T596 VanDerWaalsContact O-N 3.11Å; C593-T596 PolarHBondContact O-OG1 2.98Å
594P80.9Confident83.9Confident62 Ų6240.3 Ų40.340%0.40323%0.228SC..THydrogen-bonded Turntrans-52.4138.3172.6-26.934.7000112.5T596 H617P594-T596 VanDerWaalsContact C-N 3.33Å; P594-H617 HydrophobicContact CG-CB 4.4Å
595G78.8Confident83.8Confident4 Ų437.8 Ų37.84%0.04122%0.222CC..THydrogen-bonded Turntrans82.36-174.800000114.9C593 I615 P660 R662 F663C593-G595 PolarHBondContact O-N 3.36Å; G595-I615 PolarHBondContact N-O 2.87Å; G595-P660 WeakPolarHBondContact CA-O 3.39Å; G595-R662 PolarHBondContact O-N 2.97Å; G595-F663 PolarHBondContact O-N 3.32Å; G595-F663 VanDerWaalsContact O-N 3.08Å
596T85.5Confident83.5Confident0 Ų043.4 Ų43.40%025%0.246CC..EExtended strand (participates in β ladder)trans-73.6129.2166.6-53.50000109.8L589 K592 C593 P594 W614 I615 F663L589-T596 HydrophobicContact CD2-CG2 4.21Å; K592-T596 HydrophobicContact CB-CG2 4.12Å; K592-T596 HydrophobicContact CG-CG2 4.46Å; C593-T596 VanDerWaalsContact O-CB 3.29Å; C593-T596 WeakPolarHBondContact O-CB 3.36Å; C593-T596 PolarHBondContact O-N 2.89Å; C593-T596 VanDerWaalsContact O-N 3.11Å; C593-T596 PolarHBondContact O-OG1 2.98Å; P594-T596 VanDerWaalsContact C-N 3.33Å; T596-W614 WeakPolarHBondContact O-CA 3.25Å; T596-I615 PolarHBondContact O-N 3.09Å; T596-F663 CarbonylContact C-O 3.36Å; T596-F663 VanDerWaalsContact CA-O 3.24Å; T596-F663 WeakPolarHBondContact CA-O 3.41Å
597F87.5Confident83.2Confident0 Ų044.4 Ų44.40%025%0.253CS..EExtended strand (participates in β ladder)trans-129.4159-179.273.8-84.6000113L599 F612 T613 W614 I645 L661 F663 L664 Y665 F674F597-L599 HydrophobicContact CD2-CD2 4.15Å; F597-L599 HydrophobicContact CE2-CD2 4.02Å; F597-L599 HydrophobicContact CE2-CG 4.47Å; F597-F612 HydrophobicContact CD2-CB 4.44Å; F597-T613 CarbonylContact C-O 3.44Å; F597-T613 WeakPolarHBondContact CA-O 3.5Å; F597-T613 WeakPolarHBondContact CB-O 3.21Å; F597-W614 HydrophobicContact CB-CB 3.72Å; F597-I645 HydrophobicContact CE2-CD1 4.4Å; F597-I645 HydrophobicContact CE2-CG2 4.25Å; F597-I645 HydrophobicContact CZ-CG2 3.84Å; F597-L661 HydrophobicContact CB-CD2 3.75Å; F597-L661 HydrophobicContact CD1-CB 3.82Å; F597-L661 HydrophobicContact CD1-CD2 3.96Å; F597-L661 HydrophobicContact CD1-CG 4.41Å; F597-L661 HydrophobicContact CD2-CD2 4.34Å; F597-L661 HydrophobicContact CE1-CB 3.85Å; F597-L661 HydrophobicContact CG-CB 4.45Å; F597-L661 HydrophobicContact CG-CD2 3.78Å; F597-L661 HydrophobicContact CZ-CB 4.47Å; F597-F663 WeakPolarHBondContact CD1-O 3.43Å; F597-F663 PolarHBondContact N-O 3.45Å; F597-L664 HydrophobicContact CD2-CD1 4.14Å; F597-L664 HydrophobicContact CE1-CB 4.4Å; F597-L664 HydrophobicContact CE2-CD1 3.75Å; F597-L664 HydrophobicContact CZ-CB 4.27Å; F597-L664 HydrophobicContact CZ-CD1 4.12Å; F597-Y665 PolarHBondContact O-N 3.38Å; F597-F674 HydrophobicContact CE2-CE2 4.03Å; F597-F674 HydrophobicContact CE2-CZ 4.29Å; F597-F674 HydrophobicContact CZ-CD2 4.41Å; F597-F674 AromaticContact CZ-CE2 3.61Å; F597-F674 HydrophobicContact CZ-CE2 3.61Å; F597-F674 HydrophobicContact CZ-CZ 4.33Å
598L88.8Confident83.1Confident1 Ų141.6 Ų41.61%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-135.5148.8174.664.192000112I580 E585 L589 R600 F612 T613I580-L598 HydrophobicContact CD1-CD1 4.1Å; E585-L598 HydrophobicContact CG-CD1 4.07Å; E585-L598 HydrophobicContact CG-CD2 4.07Å; E585-L598 HydrophobicContact CG-CG 4.44Å; E585-L598 WeakPolarHBondContact OE1-CD1 3.39Å; L589-L598 HydrophobicContact CD1-CD2 3.73Å; L589-L598 HydrophobicContact CD1-CG 4.25Å; L589-L598 HydrophobicContact CD2-CD2 3.89Å; L589-L598 HydrophobicContact CG-CD2 3.61Å; L598-R600 HydrophobicContact CD1-CB 4.31Å; L598-R600 HydrophobicContact CD1-CG 4.43Å; L598-F612 WeakPolarHBondContact O-CA 3.03Å; L598-F612 WeakPolarHBondContact O-CB 3.19Å; L598-T613 PolarHBondContact N-O 2.93Å; L598-T613 PolarHBondContact O-N 3.49Å; L598-T613 VanDerWaalsContact O-N 3.09Å
599L90.1Very high83.3Confident1 Ų140 Ų401%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-100.4123.6-179.9-56.8-176.2000110.3I576 M577 G578 F597 I610 F612 L641 I645 L664 F674I576-L599 HydrophobicContact CG1-CB 4.41Å; I576-L599 HydrophobicContact CG1-CD1 3.84Å; I576-L599 HydrophobicContact CG2-CB 4.33Å; M577-L599 PolarHBondContact N-O 2.94Å; G578-L599 PolarHBondContact N-O 2.94Å; F597-L599 HydrophobicContact CD2-CD2 4.15Å; F597-L599 HydrophobicContact CE2-CD2 4.02Å; F597-L599 HydrophobicContact CE2-CG 4.47Å; L599-I610 HydrophobicContact CB-CD1 4.35Å; L599-F612 HydrophobicContact CD2-CB 3.52Å; L599-F612 HydrophobicContact CD2-CD1 4.41Å; L599-F612 HydrophobicContact CD2-CG 4.35Å; L599-L641 HydrophobicContact CD1-CD2 4.35Å; L599-I645 HydrophobicContact CD1-CD1 4.26Å; L599-I645 HydrophobicContact CD2-CD1 4.03Å; L599-L664 HydrophobicContact CG-CD1 4.37Å; L599-F674 HydrophobicContact CD1-CE1 4.07Å; L599-F674 HydrophobicContact CD1-CZ 3.85Å
600R91.6Very high83.7Confident17 Ų1740 Ų406%0.06422%0.221CC..EExtended strand (participates in β ladder)trans-134.9155.7177.467.1171.3176.770.111.4112.8G578 E585 L598 T611G578-R600 CarbonylContact O-C 3.56Å; G578-R600 VanDerWaalsContact O-CA 3.3Å; G578-R600 WeakPolarHBondContact O-CA 3.37Å; G578-R600 WeakPolarHBondContact O-CB 3.46Å; E585-R600 VanDerWaalsContact CD-NE 3.26Å; E585-R600 VanDerWaalsContact OE1-CD 3.26Å; E585-R600 WeakPolarHBondContact OE1-CD 3.46Å; E585-R600 IonicContact OE1-CZ 3.93Å; E585-R600 IonicContact OE1-NE 2.91Å; E585-R600 PolarHBondContact OE1-NE 3.49Å; E585-R600 IonicContact OE2-CZ 3.3Å; E585-R600 IonicContact OE2-NE 2.9Å; E585-R600 PolarHBondContact OE2-NE 2.8Å; E585-R600 IonicContact OE2-NH2 2.84Å; L598-R600 HydrophobicContact CD1-CB 4.31Å; L598-R600 HydrophobicContact CD1-CG 4.43Å; R600-T611 HydrophobicContact CG-CG2 3.79Å; R600-T611 VanDerWaalsContact CZ-CG2 3.5Å; R600-T611 PolarHBondContact N-O 2.88Å; R600-T611 VanDerWaalsContact NH1-CG2 3.26Å; R600-T611 PolarHBondContact O-N 3.26Å
601F92.1Very high84.2Confident3 Ų338.1 Ų38.11%0.01321%0.208CC..EExtended strand (participates in β ladder)trans-80.1142.1172.7-61.8-60.2000110.8I559 I563 L567 W571 I576 G578 F579 E603 A609 I610I559-F601 HydrophobicContact CD1-CB 3.63Å; I559-F601 HydrophobicContact CD1-CD2 4.25Å; I559-F601 HydrophobicContact CD1-CG 3.94Å; I559-F601 HydrophobicContact CG1-CB 4.08Å; I559-F601 HydrophobicContact CG1-CD1 4.31Å; I559-F601 HydrophobicContact CG1-CG 4.08Å; I559-F601 HydrophobicContact CG2-CD1 3.85Å; I559-F601 HydrophobicContact CG2-CD2 3.63Å; I559-F601 HydrophobicContact CG2-CE1 3.85Å; I559-F601 HydrophobicContact CG2-CE2 3.63Å; I559-F601 HydrophobicContact CG2-CG 3.75Å; I559-F601 HydrophobicContact CG2-CZ 3.76Å; I563-F601 HydrophobicContact CD1-CE1 4.39Å; I563-F601 HydrophobicContact CD1-CE2 4.03Å; I563-F601 HydrophobicContact CD1-CZ 3.57Å; I563-F601 HydrophobicContact CG1-CE1 4.11Å; I563-F601 HydrophobicContact CG1-CZ 3.66Å; L567-F601 HydrophobicContact CD1-CE1 4.1Å; W571-F601 HydrophobicContact CE3-CE2 4.27Å; W571-F601 HydrophobicContact CE3-CZ 4.22Å; W571-F601 AromaticContact CZ3-CE2 3.8Å; W571-F601 HydrophobicContact CZ3-CE2 3.8Å; W571-F601 HydrophobicContact CZ3-CZ 4.22Å; I576-F601 HydrophobicContact CG2-CE2 4.27Å; I576-F601 HydrophobicContact CG2-CZ 3.98Å; G578-F601 VanDerWaalsContact CA-CD2 3.46Å; G578-F601 PolarHBondContact O-N 3.25Å; F579-F601 HydrophobicContact CD2-CD2 4.48Å; F579-F601 HydrophobicContact CE1-CD2 4.23Å; F579-F601 HydrophobicContact CE2-CD2 4.11Å; F579-F601 HydrophobicContact CE2-CE2 4.24Å; F579-F601 AromaticContact CZ-CD2 3.98Å; F579-F601 HydrophobicContact CZ-CD2 3.98Å; F579-F601 HydrophobicContact CZ-CE2 4.41Å; F601-E603 PolarHBondContact O-N 3.28Å; F601-A609 CarbonylContact C-O 3.53Å; F601-A609 WeakPolarHBondContact CA-O 3.43Å; F601-I610 HydrophobicContact CD1-CB 4.41Å; F601-I610 HydrophobicContact CE1-CD1 4.23Å
602S87.5Confident84.7Confident6 Ų631.3 Ų31.34%0.04217%0.172CC..  trans-72.7128.1176.1179.90000110.7W555 S604 A609 P630W555-S602 PolarHBondContact NE1-O 3.44Å; S602-S604 VanDerWaalsContact C-N 3.27Å; S602-S604 PolarHBondContact OG-N 3.23Å; S602-A609 PolarHBondContact N-O 3.27Å; S602-P630 WeakPolarHBondContact OG-CG 3.3Å
603E83.9Confident85Confident59 Ų5929 Ų2928%0.27616%0.162SC..SBendtrans-79-11.3173.3-64.8-175.4-114.600113.1M517 K521 F550 W555 F601M517-E603 HydrophobicContact CE-CG 4.24Å; K521-E603 IonicContact NZ-OE2 2.68Å; K521-E603 PolarHBondContact NZ-OE2 3.46Å; F550-E603 WeakPolarHBondContact CZ-O 3.46Å; W555-E603 HydrophobicContact CH2-CG 4.35Å; W555-E603 HydrophobicContact CZ2-CB 4.43Å; W555-E603 HydrophobicContact CZ2-CG 3.93Å; F601-E603 PolarHBondContact O-N 3.28Å
604S80.9Confident85.5Confident101 Ų10125.7 Ų25.771%0.70614%0.138SC*.SBendtrans-100.9-13.9-173.4-55.30000113.5S602S602-S604 VanDerWaalsContact C-N 3.27Å; S602-S604 PolarHBondContact OG-N 3.23Å
605S79.8Confident85.6Confident24 Ų2422.8 Ų22.817%0.16812%0.119CC..  trans-97.5126.7179.5-178.10000111.6F550F550-S605 VanDerWaalsContact CZ-C 3.48Å; F550-S605 WeakPolarHBondContact CZ-O 3.2Å
606K78.4Confident85.7Confident122 Ų12225.9 Ų25.953%0.5313%0.133SC..THydrogen-bonded Turntrans-69.5-37.7176.2-177.2-176.6171.8-170.10112.4F550 G608F550-K606 HydrophobicContact CB-CB 4.36Å; F550-K606 HydrophobicContact CB-CD 4.19Å; F550-K606 HydrophobicContact CB-CG 3.93Å; F550-K606 HydrophobicContact CD1-CB 3.54Å; F550-K606 HydrophobicContact CD1-CG 4.07Å; F550-K606 HydrophobicContact CE1-CB 3.92Å; F550-K606 HydrophobicContact CG-CB 3.86Å; F550-K606 HydrophobicContact CG-CG 3.89Å; K606-G608 PolarHBondContact O-N 3.06Å
607E75.8Confident85.3Confident128 Ų12829.1 Ų29.160%0.59815%0.148SC*.THydrogen-bonded Turntrans-81.73.5-173.4-62.3-172.2168.700112.8
608G84.3Confident84.4Confident0 Ų033 Ų330%017%0.169CC..  trans75.9130.7-169.500000110.6K606K606-G608 PolarHBondContact O-N 3.06Å
609A88.4Confident83.2Confident0 Ų039.6 Ų39.60%021%0.209CC..  trans-148.2151.1173.300000109.6F601 S602 P630 Y631 T632F601-A609 CarbonylContact C-O 3.53Å; F601-A609 WeakPolarHBondContact CA-O 3.43Å; S602-A609 PolarHBondContact N-O 3.27Å; A609-P630 HydrophobicContact CB-CB 3.45Å; A609-P630 VanDerWaalsContact CB-CB 3.45Å; A609-Y631 CarbonylContact C-O 3.57Å; A609-Y631 WeakPolarHBondContact CA-O 3.43Å; A609-Y631 VanDerWaalsContact CB-O 3.3Å; A609-Y631 WeakPolarHBondContact CB-O 3.37Å; A609-T632 HydrophobicContact CB-CG2 4.11Å
610I90.8Very high81.8Confident1 Ų146.4 Ų46.41%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-108.4138.5175-170.1155.5000109.5L562 L567 I576 L599 F601 Y631 L636 L641L562-I610 HydrophobicContact CD2-CB 4.36Å; L567-I610 HydrophobicContact CD1-CB 4.22Å; L567-I610 HydrophobicContact CD1-CD1 3.67Å; L567-I610 HydrophobicContact CD1-CG2 4.26Å; I576-I610 HydrophobicContact CD1-CD1 3.99Å; I576-I610 HydrophobicContact CG1-CD1 4.31Å; I576-I610 HydrophobicContact CG2-CD1 4.27Å; L599-I610 HydrophobicContact CB-CD1 4.35Å; F601-I610 HydrophobicContact CD1-CB 4.41Å; F601-I610 HydrophobicContact CE1-CD1 4.23Å; I610-Y631 PolarHBondContact N-O 3.08Å; I610-Y631 PolarHBondContact O-N 2.62Å; I610-L636 HydrophobicContact CG2-CD1 4.05Å; I610-L641 HydrophobicContact CD1-CD2 3.65Å; I610-L641 HydrophobicContact CG1-CD2 4.31Å; I610-L641 HydrophobicContact CG2-CD1 4.05Å; I610-L641 HydrophobicContact CG2-CD2 4.12Å
611T89.5Confident80.6Confident2 Ų251.3 Ų51.31%0.01227%0.268CS..EExtended strand (participates in β ladder)trans-133.6158174.6178.10000108.2R600 V628R600-T611 HydrophobicContact CG-CG2 3.79Å; R600-T611 VanDerWaalsContact CZ-CG2 3.5Å; R600-T611 PolarHBondContact N-O 2.88Å; R600-T611 VanDerWaalsContact NH1-CG2 3.26Å; R600-T611 PolarHBondContact O-N 3.26Å; T611-V628 PolarHBondContact OG1-O 3.25Å
612F88.3Confident79.7Confident0 Ų058 Ų580%030%0.297CS..EExtended strand (participates in β ladder)trans-125.4145.3173.155.7-100000110.2F597 L598 L599 W614 V628 Y631 I644 Y648 L661F597-F612 HydrophobicContact CD2-CB 4.44Å; L598-F612 WeakPolarHBondContact O-CA 3.03Å; L598-F612 WeakPolarHBondContact O-CB 3.19Å; L599-F612 HydrophobicContact CD2-CB 3.52Å; L599-F612 HydrophobicContact CD2-CD1 4.41Å; L599-F612 HydrophobicContact CD2-CG 4.35Å; F612-W614 AromaticContact CD2-CE3 3.99Å; F612-W614 HydrophobicContact CD2-CE3 3.99Å; F612-W614 HydrophobicContact CD2-CZ3 4.15Å; F612-W614 HydrophobicContact CE2-CE3 4.17Å; F612-W614 HydrophobicContact CE2-CZ3 4.01Å; F612-V628 HydrophobicContact CD2-CG2 3.77Å; F612-V628 HydrophobicContact CE1-CG2 4.2Å; F612-V628 HydrophobicContact CE2-CB 4.38Å; F612-V628 HydrophobicContact CE2-CG2 3.22Å; F612-V628 HydrophobicContact CG-CG2 4.45Å; F612-V628 HydrophobicContact CZ-CB 4.35Å; F612-V628 HydrophobicContact CZ-CG2 3.48Å; F612-V628 VanDerWaalsContact CZ-CG2 3.48Å; F612-V628 PolarHBondContact O-N 2.72Å; F612-Y631 HydrophobicContact CD1-CE2 4.31Å; F612-Y631 HydrophobicContact CE1-CD2 4.37Å; F612-Y631 AromaticContact CE1-CE2 3.6Å; F612-Y631 HydrophobicContact CE1-CE2 3.6Å; F612-Y631 HydrophobicContact CZ-CE2 4.26Å; F612-I644 HydrophobicContact CE1-CG2 4.23Å; F612-Y648 AromaticContact CE2-CD1 3.93Å; F612-Y648 HydrophobicContact CE2-CD1 3.93Å; F612-Y648 AromaticContact CE2-CE1 3.82Å; F612-Y648 HydrophobicContact CE2-CE1 3.82Å; F612-Y648 HydrophobicContact CE2-CG 4.34Å; F612-Y648 HydrophobicContact CZ-CD1 4.01Å; F612-Y648 AromaticContact CZ-CD2 3.98Å; F612-Y648 HydrophobicContact CZ-CD2 3.98Å; F612-Y648 HydrophobicContact CZ-CE1 4.11Å; F612-Y648 HydrophobicContact CZ-CE2 4.12Å; F612-Y648 AromaticContact CZ-CG 3.94Å; F612-Y648 HydrophobicContact CZ-CG 3.94Å; F612-L661 HydrophobicContact CD2-CD1 4.14Å; F612-L661 HydrophobicContact CD2-CD2 3.94Å; F612-L661 HydrophobicContact CE2-CD1 3.7Å; F612-L661 HydrophobicContact CE2-CD2 3.97Å; F612-L661 HydrophobicContact CE2-CG 4.35Å; F612-L661 HydrophobicContact CZ-CD1 4.03Å
613T85.6Confident79.1Confident2 Ų260.3 Ų60.31%0.01231%0.311CS..EExtended strand (participates in β ladder)trans-123.5136.8178.5-55.70000108.4E585 L589 F597 L598 H626 S627E585-T613 HydrophobicContact CG-CG2 4.23Å; E585-T613 WeakPolarHBondContact OE1-CB 3.33Å; E585-T613 PolarHBondContact OE1-OG1 3.01Å; L589-T613 HydrophobicContact CD1-CG2 3.89Å; F597-T613 CarbonylContact C-O 3.44Å; F597-T613 WeakPolarHBondContact CA-O 3.5Å; F597-T613 WeakPolarHBondContact CB-O 3.21Å; L598-T613 PolarHBondContact N-O 2.93Å; L598-T613 PolarHBondContact O-N 3.49Å; L598-T613 VanDerWaalsContact O-N 3.09Å; T613-H626 CarbonylContact C-O 3.32Å; T613-H626 WeakPolarHBondContact CA-O 3.37Å; T613-H626 VanDerWaalsContact CG2-O 3.3Å; T613-H626 WeakPolarHBondContact CG2-O 3.13Å; T613-S627 WeakPolarHBondContact CG2-OG 3.35Å; T613-S627 PolarHBondContact OG1-OG 3.48Å
614W86.4Confident78.9Confident7 Ų759.1 Ų59.13%0.02731%0.308CS..EExtended strand (participates in β ladder)trans-129.7161.4176.771.599.2000111.2T596 F597 F612 E616 H626 V628 Y648 V650 P660 L661T596-W614 WeakPolarHBondContact O-CA 3.25Å; F597-W614 HydrophobicContact CB-CB 3.72Å; F612-W614 AromaticContact CD2-CE3 3.99Å; F612-W614 HydrophobicContact CD2-CE3 3.99Å; F612-W614 HydrophobicContact CD2-CZ3 4.15Å; F612-W614 HydrophobicContact CE2-CE3 4.17Å; F612-W614 HydrophobicContact CE2-CZ3 4.01Å; W614-E616 PolarHBondContact NE1-OE1 2.72Å; W614-H626 HydrophobicContact CD2-CB 3.77Å; W614-H626 HydrophobicContact CE3-CB 3.98Å; W614-H626 VanDerWaalsContact CE3-O 3.24Å; W614-H626 HydrophobicContact CH2-CB 3.52Å; W614-H626 HydrophobicContact CZ2-CB 3.27Å; W614-H626 AromaticContact CZ2-CG 3.91Å; W614-H626 HydrophobicContact CZ3-CB 3.83Å; W614-H626 PolarHBondContact N-O 3.18Å; W614-H626 PolarHBondContact O-N 3.03Å; W614-V628 HydrophobicContact CH2-CG2 4.01Å; W614-V628 HydrophobicContact CZ3-CG2 3.47Å; W614-V628 VanDerWaalsContact CZ3-CG2 3.47Å; W614-Y648 AromaticContact CH2-CE1 3.83Å; W614-Y648 HydrophobicContact CH2-CE1 3.83Å; W614-Y648 WeakPolarHBondContact CH2-OH 3.26Å; W614-Y648 HydrophobicContact CZ2-CE1 4.3Å; W614-Y648 HydrophobicContact CZ3-CE1 4.19Å; W614-V650 HydrophobicContact CH2-CG2 4.34Å; W614-V650 HydrophobicContact CZ2-CG2 4Å; W614-P660 HydrophobicContact CD2-CG 4.41Å; W614-P660 HydrophobicContact CG-CB 4.5Å; W614-P660 HydrophobicContact CZ2-CB 4.47Å; W614-P660 HydrophobicContact CZ2-CG 3.97Å; W614-L661 HydrophobicContact CB-CD2 4.06Å; W614-L661 HydrophobicContact CD2-CD2 4.24Å; W614-L661 HydrophobicContact CE3-CD2 4.28Å; W614-L661 HydrophobicContact CG-CD2 4.2Å
615I84Confident78.9Confident0 Ų057.2 Ų57.20%029%0.286CS..EExtended strand (participates in β ladder)trans-106.6135.2177.8-174.2171.6000110.9L589 G595 T596 P623 V624 Y625L589-I615 HydrophobicContact CB-CB 4.34Å; L589-I615 HydrophobicContact CD2-CG2 4.48Å; L589-I615 WeakPolarHBondContact O-CD1 3.49Å; G595-I615 PolarHBondContact N-O 2.87Å; T596-I615 PolarHBondContact O-N 3.09Å; I615-P623 HydrophobicContact CD1-CB 3.53Å; I615-P623 HydrophobicContact CG1-CB 4.08Å; I615-V624 WeakPolarHBondContact CA-O 3.29Å; I615-Y625 HydrophobicContact CD1-CE1 4.27Å
616E81.3Confident79Confident69 Ų6958.7 Ų58.732%0.32229%0.29SS..EExtended strand (participates in β ladder)trans-125.5152.9167.4-71.3177.2-168.100108.7W614 V624 H626 P660W614-E616 PolarHBondContact NE1-OE1 2.72Å; E616-V624 PolarHBondContact N-O 3.5Å; E616-V624 PolarHBondContact O-N 2.83Å; E616-H626 IonicContact OE2-CD2 3.39Å; E616-H626 IonicContact OE2-NE2 3.47Å; E616-P660 WeakPolarHBondContact OE1-CB 3.04Å
617H76.6Confident79.2Confident69 Ų6956 Ų5632%0.31929%0.287SS..EExtended strand (participates in β ladder)trans-101.4128.4172.9-71.4-173.8000108.8P594 D621 K622P594-H617 HydrophobicContact CG-CB 4.4Å; H617-D621 IonicContact CE1-OD1 2.66Å; H617-D621 IonicContact CG-OD1 3.55Å; H617-D621 IonicContact ND1-OD1 3.68Å; H617-D621 PolarHBondContact ND1-OD1 3.12Å; H617-K622 WeakPolarHBondContact CA-O 3.41Å
618D68.3Low79.7Confident82 Ų8250.6 Ų50.644%0.43926%0.262SS..  trans-70.3171.3172.1-170.920.4000110.7H620 D621 K622 V624D618-H620 PolarHBondContact O-N 3.48Å; D618-H620 IonicContact OD2-ND1 3.89Å; D618-D621 WeakPolarHBondContact O-CA 3.3Å; D618-D621 PolarHBondContact O-N 3.33Å; D618-K622 PolarHBondContact N-O 3.13Å; D618-V624 HydrophobicContact CB-CG2 3.87Å
619V63.4Low79.6Confident139 Ų13958.5 Ų58.584%0.84230%0.299SS*.THydrogen-bonded Turntrans-53.3-20.4179.4-171.10000113
620H61.8Low79.6Confident143 Ų14360.5 Ų60.566%0.66231%0.312SS*.THydrogen-bonded Turntrans-10016.6177.5-57.189.5000114.3D618 K622D618-H620 PolarHBondContact O-N 3.48Å; D618-H620 IonicContact OD2-ND1 3.89Å; H620-K622 HydrophobicContact CB-CG 4.48Å; H620-K622 PolarHBondContact O-N 2.81Å; H620-K622 VanDerWaalsContact O-N 3.17Å
621D66.4Low79.5Confident121 Ų12161.5 Ų61.565%0.64732%0.316SS*.SBendtrans56.428.7-177.6-147.322.5000113.8H617 D618H617-D621 IonicContact CE1-OD1 2.66Å; H617-D621 IonicContact CG-OD1 3.55Å; H617-D621 IonicContact ND1-OD1 3.68Å; H617-D621 PolarHBondContact ND1-OD1 3.12Å; D618-D621 WeakPolarHBondContact O-CA 3.3Å; D618-D621 PolarHBondContact O-N 3.33Å
622K71.8Confident79.5Confident143 Ų14362.6 Ų62.662%0.62232%0.323SS*.PPolyproline II helixtrans-91.9136.3175-71.7-176.3-177.51740110.2H617 D618 H620 V624H617-K622 WeakPolarHBondContact CA-O 3.41Å; D618-K622 PolarHBondContact N-O 3.13Å; H620-K622 HydrophobicContact CB-CG 4.48Å; H620-K622 PolarHBondContact O-N 2.81Å; H620-K622 VanDerWaalsContact O-N 3.17Å; K622-V624 PolarHBondContact O-N 3.35Å
623P74.9Confident79.4Confident54 Ų5465.6 Ų65.635%0.35134%0.336SS..EExtended strand (participates in β ladder)trans-72.7117-179.430.7-36.5000111.3I615 Y625I615-P623 HydrophobicContact CD1-CB 3.53Å; I615-P623 HydrophobicContact CG1-CB 4.08Å; P623-Y625 HydrophobicContact CB-CE2 4.34Å
624V79.3Confident79.4Confident34 Ų3473 Ų7321%0.20637%0.368CS..EExtended strand (participates in β ladder)trans-102130.8172.6-173.10000108.9I615 E616 D618 K622 H626I615-V624 WeakPolarHBondContact CA-O 3.29Å; E616-V624 PolarHBondContact N-O 3.5Å; E616-V624 PolarHBondContact O-N 2.83Å; D618-V624 HydrophobicContact CB-CG2 3.87Å; K622-V624 PolarHBondContact O-N 3.35Å; V624-H626 VanDerWaalsContact CG1-NE2 3.34Å; V624-H626 WeakPolarHBondContact CG1-NE2 3.47Å
625Y81.3Confident79.3Confident62 Ų6276.5 Ų76.524%0.24338%0.384CS..EExtended strand (participates in β ladder)trans-107.5124.6-179-51.9-87.6000109.7K586 L589 S590 I615 P623K586-Y625 HydrophobicContact CB-CD1 4.48Å; K586-Y625 HydrophobicContact CB-CE1 4.03Å; K586-Y625 HydrophobicContact CB-CE2 4.27Å; K586-Y625 HydrophobicContact CD-CD2 4.21Å; K586-Y625 HydrophobicContact CD-CE2 4.29Å; K586-Y625 HydrophobicContact CG-CD1 4.04Å; K586-Y625 HydrophobicContact CG-CD2 4Å; K586-Y625 HydrophobicContact CG-CE1 4.07Å; K586-Y625 HydrophobicContact CG-CE2 4.04Å; K586-Y625 HydrophobicContact CG-CG 3.99Å; K586-Y625 PolarHBondContact O-OH 3.45Å; L589-Y625 HydrophobicContact CB-CD1 4.2Å; L589-Y625 HydrophobicContact CB-CE1 3.81Å; L589-Y625 HydrophobicContact CD1-CD1 4.24Å; S590-Y625 VanDerWaalsContact CB-OH 3.27Å; S590-Y625 WeakPolarHBondContact CB-OH 3.28Å; I615-Y625 HydrophobicContact CD1-CE1 4.27Å; P623-Y625 HydrophobicContact CB-CE2 4.34Å
626H81.9Confident79.4Confident55 Ų5576.9 Ų76.926%0.25539%0.386SS..EExtended strand (participates in β ladder)trans-111.9133.8175.4-64.8-87.5000109.3T613 W614 E616 V624T613-H626 CarbonylContact C-O 3.32Å; T613-H626 WeakPolarHBondContact CA-O 3.37Å; T613-H626 VanDerWaalsContact CG2-O 3.3Å; T613-H626 WeakPolarHBondContact CG2-O 3.13Å; W614-H626 HydrophobicContact CD2-CB 3.77Å; W614-H626 HydrophobicContact CE3-CB 3.98Å; W614-H626 VanDerWaalsContact CE3-O 3.24Å; W614-H626 HydrophobicContact CH2-CB 3.52Å; W614-H626 HydrophobicContact CZ2-CB 3.27Å; W614-H626 AromaticContact CZ2-CG 3.91Å; W614-H626 HydrophobicContact CZ3-CB 3.83Å; W614-H626 PolarHBondContact N-O 3.18Å; W614-H626 PolarHBondContact O-N 3.03Å; E616-H626 IonicContact OE2-CD2 3.39Å; E616-H626 IonicContact OE2-NE2 3.47Å; V624-H626 VanDerWaalsContact CG1-NE2 3.34Å; V624-H626 WeakPolarHBondContact CG1-NE2 3.47Å
627S84Confident79.6Confident65 Ų6577.3 Ų77.346%0.45540%0.397SS..EExtended strand (participates in β ladder)trans-125.6134.4174.5-62.60000109.4T613T613-S627 WeakPolarHBondContact CG2-OG 3.35Å; T613-S627 PolarHBondContact OG1-OG 3.48Å
628V84.6Confident79.9Confident15 Ų1577.5 Ų77.59%0.09141%0.41CS..PPolyproline II helixtrans-78.7153.2176-166.40000110.9T611 F612 W614 Y631 Y648T611-V628 PolarHBondContact OG1-O 3.25Å; F612-V628 HydrophobicContact CD2-CG2 3.77Å; F612-V628 HydrophobicContact CE1-CG2 4.2Å; F612-V628 HydrophobicContact CE2-CB 4.38Å; F612-V628 HydrophobicContact CE2-CG2 3.22Å; F612-V628 HydrophobicContact CG-CG2 4.45Å; F612-V628 HydrophobicContact CZ-CB 4.35Å; F612-V628 HydrophobicContact CZ-CG2 3.48Å; F612-V628 VanDerWaalsContact CZ-CG2 3.48Å; F612-V628 PolarHBondContact O-N 2.72Å; W614-V628 HydrophobicContact CH2-CG2 4.01Å; W614-V628 HydrophobicContact CZ3-CG2 3.47Å; W614-V628 VanDerWaalsContact CZ3-CG2 3.47Å; V628-Y631 HydrophobicContact CB-CE2 4.3Å; V628-Y631 HydrophobicContact CG1-CE2 3.84Å; V628-Y648 HydrophobicContact CG1-CE2 4.39Å; V628-Y648 HydrophobicContact CG2-CE1 4.22Å; V628-Y648 HydrophobicContact CG2-CE2 4.13Å; V628-Y648 VanDerWaalsContact CG2-OH 3.29Å; V628-Y648 WeakPolarHBondContact CG2-OH 3.49Å
629E83.9Confident80.6Confident166 Ų16674.8 Ų74.878%0.77640%0.397SS*.PPolyproline II helixtrans-52.2133.7165.3-169.5170.1-170.400110.4Y631E629-Y631 PolarHBondContact O-N 3.48Å
630P87.9Confident81.6Confident42 Ų4270.3 Ų70.327%0.27337%0.372SS..PPolyproline II helixtrans-63.1126.8-174.9-24.534.7000113.8S602 A609 T632S602-P630 WeakPolarHBondContact OG-CG 3.3Å; A609-P630 HydrophobicContact CB-CB 3.45Å; A609-P630 VanDerWaalsContact CB-CB 3.45Å; P630-T632 PolarHBondContact O-N 3.37Å
631Y87.6Confident82.8Confident21 Ų2163.6 Ų63.68%0.08234%0.341CS..BIsolated β-bridgetrans-75.7117.6173.1-62-79.6000110.4A609 I610 F612 V628 E629 E635 I644A609-Y631 CarbonylContact C-O 3.57Å; A609-Y631 WeakPolarHBondContact CA-O 3.43Å; A609-Y631 VanDerWaalsContact CB-O 3.3Å; A609-Y631 WeakPolarHBondContact CB-O 3.37Å; I610-Y631 PolarHBondContact N-O 3.08Å; I610-Y631 PolarHBondContact O-N 2.62Å; F612-Y631 HydrophobicContact CD1-CE2 4.31Å; F612-Y631 HydrophobicContact CE1-CD2 4.37Å; F612-Y631 AromaticContact CE1-CE2 3.6Å; F612-Y631 HydrophobicContact CE1-CE2 3.6Å; F612-Y631 HydrophobicContact CZ-CE2 4.26Å; V628-Y631 HydrophobicContact CB-CE2 4.3Å; V628-Y631 HydrophobicContact CG1-CE2 3.84Å; E629-Y631 PolarHBondContact O-N 3.48Å; Y631-E635 HydrophobicContact CD1-CB 3.83Å; Y631-E635 HydrophobicContact CD1-CG 4.19Å; Y631-I644 HydrophobicContact CD1-CD1 3.97Å; Y631-I644 HydrophobicContact CE1-CD1 4.04Å; Y631-I644 HydrophobicContact CE1-CG2 4.22Å; Y631-I644 HydrophobicContact CE2-CG2 4.04Å; Y631-I644 HydrophobicContact CG-CD1 4.37Å
632T89.6Confident83.7Confident25 Ų2558.2 Ų58.215%0.15331%0.313CS..  trans-88.7-179.517478.80000110.6A609 P630 K634 E635 L636A609-T632 HydrophobicContact CB-CG2 4.11Å; P630-T632 PolarHBondContact O-N 3.37Å; T632-K634 PolarHBondContact O-N 2.8Å; T632-K634 PolarHBondContact OG1-N 2.77Å; T632-E635 VanDerWaalsContact CA-OE2 3.23Å; T632-E635 WeakPolarHBondContact CA-OE2 3.36Å; T632-E635 VanDerWaalsContact CB-OE2 3.26Å; T632-E635 WeakPolarHBondContact CB-OE2 3.37Å; T632-E635 PolarHBondContact N-OE2 2.98Å; T632-E635 PolarHBondContact O-N 2.89Å; T632-E635 PolarHBondContact OG1-OE2 2.93Å; T632-L636 WeakPolarHBondContact O-CG 3.24Å; T632-L636 PolarHBondContact O-N 3.08Å; T632-L636 VanDerWaalsContact O-N 3.11Å
633K86.3Confident84.2Confident64 Ų6453.3 Ų53.328%0.27829%0.293SS..Hα-helixtrans-54.5-30.9172.5-173.3176-177.7171.30113.7D561 L562 R565 H566 S637D561-K633 IonicContact OD2-NZ 2.79Å; D561-K633 PolarHBondContact OD2-NZ 2.88Å; L562-K633 HydrophobicContact CD1-CB 4.3Å; R565-K633 VanDerWaalsContact CD-CE 3.48Å; R565-K633 VanDerWaalsContact CD-NZ 3.29Å; R565-K633 VanDerWaalsContact NE-NZ 3.11Å; H566-K633 WeakPolarHBondContact NE2-CG 3.4Å; K633-S637 WeakPolarHBondContact O-CB 3.03Å; K633-S637 PolarHBondContact O-N 3.28Å; K633-S637 PolarHBondContact O-OG 2.8Å
634K85.5Confident84.7Confident156 Ų15650.8 Ų50.868%0.67828%0.276SS*.Hα-helixtrans-66.9-48.5-177.7-67.9-179.5-178.3174.80111T632 S637T632-K634 PolarHBondContact O-N 2.8Å; T632-K634 PolarHBondContact OG1-N 2.77Å; K634-S637 PolarHBondContact O-N 3.08Å
635E84.6Confident84.9Confident81 Ų8149.1 Ų49.138%0.37927%0.267SS..Hα-helixtrans-69.2-42.8178.9-59.676.6-149.600110.8Y631 T632 S637 A638 V639Y631-E635 HydrophobicContact CD1-CB 3.83Å; Y631-E635 HydrophobicContact CD1-CG 4.19Å; T632-E635 VanDerWaalsContact CA-OE2 3.23Å; T632-E635 WeakPolarHBondContact CA-OE2 3.36Å; T632-E635 VanDerWaalsContact CB-OE2 3.26Å; T632-E635 WeakPolarHBondContact CB-OE2 3.37Å; T632-E635 PolarHBondContact N-OE2 2.98Å; T632-E635 PolarHBondContact O-N 2.89Å; T632-E635 PolarHBondContact OG1-OE2 2.93Å; E635-S637 PolarHBondContact O-N 2.95Å; E635-A638 WeakPolarHBondContact O-CB 3.29Å; E635-A638 PolarHBondContact O-N 3.47Å; E635-V639 PolarHBondContact O-N 2.98Å
636L85.6Confident84.9Confident8 Ų852 Ų524%0.04228%0.277CS..Hα-helixtrans-69.1-14.9179.5-67.3174.5000114.6L562 H566 L567 I610 T632 V639 L641 I644L562-L636 HydrophobicContact CD1-CD1 3.7Å; L562-L636 HydrophobicContact CD2-CD1 4.43Å; L562-L636 HydrophobicContact CG-CD1 4.17Å; H566-L636 HydrophobicContact CB-CB 4.12Å; H566-L636 HydrophobicContact CB-CD1 4.14Å; H566-L636 PolarHBondContact ND1-O 3.02Å; L567-L636 HydrophobicContact CD2-CD1 4.42Å; I610-L636 HydrophobicContact CG2-CD1 4.05Å; T632-L636 WeakPolarHBondContact O-CG 3.24Å; T632-L636 PolarHBondContact O-N 3.08Å; T632-L636 VanDerWaalsContact O-N 3.11Å; L636-V639 CarbonylContact C-O 3.6Å; L636-V639 WeakPolarHBondContact CA-O 3.46Å; L636-L641 HydrophobicContact CD2-CB 3.79Å; L636-L641 HydrophobicContact CD2-CD1 4.23Å; L636-I644 HydrophobicContact CD2-CD1 4.2Å
637S85.4Confident84.7Confident79 Ų7951.1 Ų51.155%0.55228%0.275SS*.Hα-helixtrans-81.5-23.5170.9-61.30000112.1H566 K633 K634 E635H566-S637 PolarHBondContact CE1-OG 3.42Å; K633-S637 WeakPolarHBondContact O-CB 3.03Å; K633-S637 PolarHBondContact O-N 3.28Å; K633-S637 PolarHBondContact O-OG 2.8Å; K634-S637 PolarHBondContact O-N 3.08Å; E635-S637 PolarHBondContact O-N 2.95Å
638A83.6Confident84.4Confident72 Ų7248.1 Ų48.160%0.59525%0.254SS*.Hα-helixtrans-88.7-43178.500000111.9E635E635-A638 WeakPolarHBondContact O-CB 3.29Å; E635-A638 PolarHBondContact O-N 3.47Å
639V83.3Confident84Confident26 Ų2651.3 Ų51.316%0.15827%0.267CS..SBendtrans-135.8136.1-179.9-171.90000109.5E635 L636 D643 I644 L703E635-V639 PolarHBondContact O-N 2.98Å; L636-V639 CarbonylContact C-O 3.6Å; L636-V639 WeakPolarHBondContact CA-O 3.46Å; V639-D643 HydrophobicContact CG1-CB 3.79Å; V639-I644 HydrophobicContact CB-CD1 4.37Å; V639-I644 HydrophobicContact CB-CG1 4.01Å; V639-I644 HydrophobicContact CG1-CG1 3.73Å; V639-L703 HydrophobicContact CG2-CB 3.95Å; V639-L703 HydrophobicContact CG2-CD1 4.4Å
640S85.2Confident83.3Confident44 Ų4444.2 Ų44.231%0.30824%0.235SC..  trans-68.4147.1179.184.80000111.1P642 D643 I644S640-P642 VanDerWaalsContact C-CD 3.48Å; S640-P642 VanDerWaalsContact C-N 3.35Å; S640-P642 WeakPolarHBondContact OG-CD 3.28Å; S640-D643 PolarHBondContact O-N 3.14Å; S640-D643 VanDerWaalsContact O-N 3.09Å; S640-D643 WeakPolarHBondContact OG-CB 3.42Å; S640-D643 PolarHBondContact OG-N 2.92Å; S640-D643 PolarHBondContact OG-OD2 3.29Å; S640-I644 WeakPolarHBondContact O-CG1 3.18Å; S640-I644 PolarHBondContact O-N 2.96Å
641L86Confident82.1Confident3 Ų345.5 Ų45.52%0.01624%0.238CC..Hα-helixtrans-56.8-41.4178.1-174.468000113.2L567 L570 L599 I610 L636 D643 I644 I645L567-L641 HydrophobicContact CD2-CB 3.82Å; L567-L641 HydrophobicContact CD2-CD2 3.53Å; L567-L641 HydrophobicContact CD2-CG 4.31Å; L570-L641 HydrophobicContact CD1-CB 4.31Å; L570-L641 HydrophobicContact CD1-CD2 4.33Å; L599-L641 HydrophobicContact CD1-CD2 4.35Å; I610-L641 HydrophobicContact CD1-CD2 3.65Å; I610-L641 HydrophobicContact CG1-CD2 4.31Å; I610-L641 HydrophobicContact CG2-CD1 4.05Å; I610-L641 HydrophobicContact CG2-CD2 4.12Å; L636-L641 HydrophobicContact CD2-CB 3.79Å; L636-L641 HydrophobicContact CD2-CD1 4.23Å; L641-D643 VanDerWaalsContact C-N 3.31Å; L641-D643 PolarHBondContact O-N 3.22Å; L641-I644 PolarHBondContact O-N 3.24Å; L641-I645 HydrophobicContact CD1-CD1 4.38Å; L641-I645 HydrophobicContact CD1-CG1 4.49Å; L641-I645 HydrophobicContact CD2-CD1 4.39Å; L641-I645 HydrophobicContact CG-CD1 3.91Å; L641-I645 HydrophobicContact CG-CG1 4.44Å; L641-I645 WeakPolarHBondContact O-CG1 3.33Å; L641-I645 PolarHBondContact O-N 2.72Å
642P85.7Confident80.7Confident8 Ų846.4 Ų46.45%0.05225%0.25CC..Hα-helixtrans-58.9-40.7174.4-26.237.4000112.8L570 S640 I645 R646 Y677 Y678L570-P642 HydrophobicContact CD1-CG 3.93Å; L570-P642 HydrophobicContact CD2-CG 4.03Å; L570-P642 HydrophobicContact CG-CG 4.43Å; S640-P642 VanDerWaalsContact C-CD 3.48Å; S640-P642 VanDerWaalsContact C-N 3.35Å; S640-P642 WeakPolarHBondContact OG-CD 3.28Å; P642-I645 PolarHBondContact O-N 3.33Å; P642-R646 WeakPolarHBondContact O-CB 3.41Å; P642-R646 PolarHBondContact O-N 3.12Å; P642-Y677 HydrophobicContact CG-CG 4.41Å; P642-Y678 HydrophobicContact CB-CD1 4.07Å; P642-Y678 HydrophobicContact CB-CE1 4.04Å; P642-Y678 WeakPolarHBondContact O-CE1 3.44Å
643D82.6Confident78.9Confident39 Ų3952.1 Ų52.121%0.20928%0.284CS..Hα-helixtrans-69-38.9178-64.9-35.3000111.8V639 S640 L641 R646 T647 P679V639-D643 HydrophobicContact CG1-CB 3.79Å; S640-D643 PolarHBondContact O-N 3.14Å; S640-D643 VanDerWaalsContact O-N 3.09Å; S640-D643 WeakPolarHBondContact OG-CB 3.42Å; S640-D643 PolarHBondContact OG-N 2.92Å; S640-D643 PolarHBondContact OG-OD2 3.29Å; L641-D643 VanDerWaalsContact C-N 3.31Å; L641-D643 PolarHBondContact O-N 3.22Å; D643-R646 PolarHBondContact O-N 3.01Å; D643-T647 WeakPolarHBondContact O-CB 3.3Å; D643-T647 PolarHBondContact O-N 2.88Å; D643-T647 PolarHBondContact O-OG1 3.32Å; D643-P679 WeakPolarHBondContact OD1-CD 3.39Å
644I84.4Confident77.2Confident1 Ų156.5 Ų56.51%0.00531%0.306CS..Hα-helixtrans-57.1-52.2170.9-65.5170000108.8F612 Y631 L636 V639 S640 L641 R646 T647 Y648F612-I644 HydrophobicContact CE1-CG2 4.23Å; Y631-I644 HydrophobicContact CD1-CD1 3.97Å; Y631-I644 HydrophobicContact CE1-CD1 4.04Å; Y631-I644 HydrophobicContact CE1-CG2 4.22Å; Y631-I644 HydrophobicContact CE2-CG2 4.04Å; Y631-I644 HydrophobicContact CG-CD1 4.37Å; L636-I644 HydrophobicContact CD2-CD1 4.2Å; V639-I644 HydrophobicContact CB-CD1 4.37Å; V639-I644 HydrophobicContact CB-CG1 4.01Å; V639-I644 HydrophobicContact CG1-CG1 3.73Å; S640-I644 WeakPolarHBondContact O-CG1 3.18Å; S640-I644 PolarHBondContact O-N 2.96Å; L641-I644 PolarHBondContact O-N 3.24Å; I644-R646 VanDerWaalsContact C-N 3.27Å; I644-R646 PolarHBondContact O-N 2.77Å; I644-T647 PolarHBondContact O-N 2.54Å; I644-Y648 WeakPolarHBondContact O-CA 3.15Å; I644-Y648 WeakPolarHBondContact O-CB 3.42Å; I644-Y648 PolarHBondContact O-N 3.47Å
645I84.1Confident75.8Confident0 Ų055.2 Ų55.20%031%0.306CS..Hα-helixtrans-60.9-36.1-179.5-68.7166.8000112F597 L599 L641 P642 N659 L661 K670 F674F597-I645 HydrophobicContact CE2-CD1 4.4Å; F597-I645 HydrophobicContact CE2-CG2 4.25Å; F597-I645 HydrophobicContact CZ-CG2 3.84Å; L599-I645 HydrophobicContact CD1-CD1 4.26Å; L599-I645 HydrophobicContact CD2-CD1 4.03Å; L641-I645 HydrophobicContact CD1-CD1 4.38Å; L641-I645 HydrophobicContact CD1-CG1 4.49Å; L641-I645 HydrophobicContact CD2-CD1 4.39Å; L641-I645 HydrophobicContact CG-CD1 3.91Å; L641-I645 HydrophobicContact CG-CG1 4.44Å; L641-I645 WeakPolarHBondContact O-CG1 3.33Å; L641-I645 PolarHBondContact O-N 2.72Å; P642-I645 PolarHBondContact O-N 3.33Å; I645-N659 PolarHBondContact O-ND2 3.13Å; I645-N659 VanDerWaalsContact O-ND2 3.15Å; I645-L661 HydrophobicContact CB-CD1 4.46Å; I645-L661 HydrophobicContact CG2-CD1 4.08Å; I645-K670 HydrophobicContact CG2-CD 3.82Å; I645-K670 HydrophobicContact CG2-CG 4.01Å; I645-F674 HydrophobicContact CD1-CD1 4.31Å; I645-F674 HydrophobicContact CD1-CE1 3.86Å; I645-F674 HydrophobicContact CD1-CE2 4.33Å; I645-F674 HydrophobicContact CD1-CZ 3.88Å; I645-F674 HydrophobicContact CG2-CD2 4.18Å; I645-F674 HydrophobicContact CG2-CE2 4.34Å
646R80.3Confident74.5Confident122 Ų12255.3 Ų55.346%0.4631%0.308SS..Hα-helixtrans-69.7-47.5178-174.3-179.8177.7-173.6-0.3112.3P642 D643 I644 N659 Y678P642-R646 WeakPolarHBondContact O-CB 3.41Å; P642-R646 PolarHBondContact O-N 3.12Å; D643-R646 PolarHBondContact O-N 3.01Å; I644-R646 VanDerWaalsContact C-N 3.27Å; I644-R646 PolarHBondContact O-N 2.77Å; R646-N659 PolarHBondContact O-ND2 3.27Å; R646-Y678 HydrophobicContact CB-CD1 4.36Å; R646-Y678 HydrophobicContact CB-CE1 3.75Å; R646-Y678 HydrophobicContact CG-CE1 4.26Å; R646-Y678 HydrophobicContact CG-CE2 4.32Å
647T78.1Confident73.3Confident36 Ų3658 Ų5822%0.22133%0.326CS..Hα-helixtrans-94.5-5.1-171.461.30000113.5D643 I644 K649 I704D643-T647 WeakPolarHBondContact O-CB 3.3Å; D643-T647 PolarHBondContact O-N 2.88Å; D643-T647 PolarHBondContact O-OG1 3.32Å; I644-T647 PolarHBondContact O-N 2.54Å; T647-K649 PolarHBondContact O-N 3.15Å; T647-I704 VanDerWaalsContact O-CG2 3.26Å; T647-I704 WeakPolarHBondContact O-CG2 3.18Å
648Y78.8Confident72.5Confident2 Ų259 Ų591%0.00832%0.323CS..  trans-56.1126.1179.9-168.4-115.7000110.8F612 W614 V628 I644 V650 N659 P660 L661 S705 S707F612-Y648 AromaticContact CE2-CD1 3.93Å; F612-Y648 HydrophobicContact CE2-CD1 3.93Å; F612-Y648 AromaticContact CE2-CE1 3.82Å; F612-Y648 HydrophobicContact CE2-CE1 3.82Å; F612-Y648 HydrophobicContact CE2-CG 4.34Å; F612-Y648 HydrophobicContact CZ-CD1 4.01Å; F612-Y648 AromaticContact CZ-CD2 3.98Å; F612-Y648 HydrophobicContact CZ-CD2 3.98Å; F612-Y648 HydrophobicContact CZ-CE1 4.11Å; F612-Y648 HydrophobicContact CZ-CE2 4.12Å; F612-Y648 AromaticContact CZ-CG 3.94Å; F612-Y648 HydrophobicContact CZ-CG 3.94Å; W614-Y648 AromaticContact CH2-CE1 3.83Å; W614-Y648 HydrophobicContact CH2-CE1 3.83Å; W614-Y648 WeakPolarHBondContact CH2-OH 3.26Å; W614-Y648 HydrophobicContact CZ2-CE1 4.3Å; W614-Y648 HydrophobicContact CZ3-CE1 4.19Å; V628-Y648 HydrophobicContact CG1-CE2 4.39Å; V628-Y648 HydrophobicContact CG2-CE1 4.22Å; V628-Y648 HydrophobicContact CG2-CE2 4.13Å; V628-Y648 VanDerWaalsContact CG2-OH 3.29Å; V628-Y648 WeakPolarHBondContact CG2-OH 3.49Å; I644-Y648 WeakPolarHBondContact O-CA 3.15Å; I644-Y648 WeakPolarHBondContact O-CB 3.42Å; I644-Y648 PolarHBondContact O-N 3.47Å; Y648-V650 HydrophobicContact CD1-CG2 4.12Å; Y648-V650 HydrophobicContact CE1-CG2 3.34Å; Y648-N659 WeakPolarHBondContact O-CA 3.26Å; Y648-N659 WeakPolarHBondContact O-CB 3.38Å; Y648-N659 PolarHBondContact O-ND2 2.98Å; Y648-N659 PolarHBondContact O-OD1 3.36Å; Y648-P660 HydrophobicContact CD1-CG 4.02Å; Y648-P660 HydrophobicContact CE1-CG 4Å; Y648-L661 HydrophobicContact CD1-CD1 4.07Å; Y648-L661 HydrophobicContact CD1-CG 4.24Å; Y648-L661 HydrophobicContact CG-CD1 4.44Å; Y648-S705 WeakPolarHBondContact CD2-O 3.31Å; Y648-S707 VanDerWaalsContact OH-CB 3.26Å; Y648-S707 WeakPolarHBondContact OH-CB 3.27Å; Y648-S707 PolarHBondContact OH-OG 3.12Å
649K75.8Confident72Confident82 Ų8257.4 Ų57.436%0.35730%0.304SS..EExtended strand (participates in β ladder)trans-128.6139.4175.7-66.7-177.8-173.1-173.40109.6T647 P657 E658 S705 V706 S707T647-K649 PolarHBondContact O-N 3.15Å; K649-P657 HydrophobicContact CB-CB 4.2Å; K649-P657 HydrophobicContact CD-CB 4Å; K649-E658 WeakPolarHBondContact CA-O 2.94Å; K649-S705 PolarHBondContact N-O 3.29Å; K649-V706 WeakPolarHBondContact O-CA 3.5Å; K649-S707 PolarHBondContact O-N 2.81Å
650V69.4Low71.6Confident18 Ų1856.9 Ų56.911%0.10930%0.301CS..EExtended strand (participates in β ladder)trans-116.6139.5171.7-178.40000107.6W614 Y648 A652 E658 P660 V709W614-V650 HydrophobicContact CH2-CG2 4.34Å; W614-V650 HydrophobicContact CZ2-CG2 4Å; Y648-V650 HydrophobicContact CD1-CG2 4.12Å; Y648-V650 HydrophobicContact CE1-CG2 3.34Å; V650-A652 PolarHBondContact O-N 2.9Å; V650-A652 VanDerWaalsContact O-N 3.13Å; V650-E658 PolarHBondContact N-O 3.29Å; V650-E658 PolarHBondContact O-N 3.01Å; V650-P660 HydrophobicContact CB-CG 4.37Å; V650-P660 HydrophobicContact CG2-CG 3.72Å; V650-V709 HydrophobicContact CG1-CG2 3.96Å
651M62.3Low71.4Confident69 Ų6954.8 Ų54.834%0.3429%0.286SS..EExtended strand (participates in β ladder)trans-72.3104.1172.9-61.8-65.7-88.600107.8P657 V706M651-P657 HydrophobicContact SD-CB 4.13Å; M651-V706 HydrophobicContact CG-CG1 4.37Å
652A58.2Low71.1Confident39 Ų3961.7 Ų61.732%0.32231%0.312SS..  trans-68.9168.9175.800000111V650 E654 N655 I656V650-A652 PolarHBondContact O-N 2.9Å; V650-A652 VanDerWaalsContact O-N 3.13Å; A652-E654 PolarHBondContact O-N 2.96Å; A652-N655 PolarHBondContact O-N 3.32Å; A652-I656 PolarHBondContact N-O 3.02Å
653V52.1Low71.1Confident146 Ų14665 Ų6589%0.88533%0.326SS*.THydrogen-bonded Turntrans-54.6-18.9-179-176.50000112.8
654E50Low71.2Confident155 Ų15563.7 Ų63.772%0.72432%0.319SS*.THydrogen-bonded Turntrans-9911.2178.7-58.1-172.4169.200114.8A652 I656A652-E654 PolarHBondContact O-N 2.96Å; E654-I656 HydrophobicContact CB-CD1 4.27Å; E654-I656 HydrophobicContact CB-CG1 4.3Å; E654-I656 PolarHBondContact O-N 3.15Å; E654-I656 VanDerWaalsContact O-N 3.14Å
655N56.8Low71Confident129 Ų12966.3 Ų66.369%0.6933%0.329SS*.SBendtrans58.616.9-173.7-76.3-30.9000114.9A652A652-N655 PolarHBondContact O-N 3.32Å
656I57Low70.6Confident83 Ų8369.4 Ų69.443%0.42635%0.349SS..  trans-92123.1172.8-56172.7000107.8A652 E654 E658A652-I656 PolarHBondContact N-O 3.02Å; E654-I656 HydrophobicContact CB-CD1 4.27Å; E654-I656 HydrophobicContact CB-CG1 4.3Å; E654-I656 PolarHBondContact O-N 3.15Å; E654-I656 VanDerWaalsContact O-N 3.14Å; I656-E658 HydrophobicContact CG2-CG 4.14Å; I656-E658 PolarHBondContact O-N 3.05Å; I656-E658 VanDerWaalsContact O-N 3.12Å
657P60.3Low70.6Confident64 Ų6467.8 Ų67.842%0.41635%0.35SS..EExtended strand (participates in β ladder)trans-79.199-178.531.8-34.6000110K649 M651K649-P657 HydrophobicContact CB-CB 4.2Å; K649-P657 HydrophobicContact CD-CB 4Å; M651-P657 HydrophobicContact SD-CB 4.13Å
658E68.4Low70.7Confident102 Ų10268.6 Ų68.648%0.47735%0.354SS..EExtended strand (participates in β ladder)trans-102.8151.4178.7-64.6-163.5172.400111.6K649 V650 I656 P660K649-E658 WeakPolarHBondContact CA-O 2.94Å; V650-E658 PolarHBondContact N-O 3.29Å; V650-E658 PolarHBondContact O-N 3.01Å; I656-E658 HydrophobicContact CG2-CG 4.14Å; I656-E658 PolarHBondContact O-N 3.05Å; I656-E658 VanDerWaalsContact O-N 3.12Å; E658-P660 VanDerWaalsContact O-CD 3.28Å; E658-P660 WeakPolarHBondContact O-CD 3.38Å
659N72.8Confident71Confident38 Ų3871.3 Ų71.320%0.20337%0.372CS..  trans-87.6110.4170-172.6-23.2000108.5I645 R646 Y648 L661 K670I645-N659 PolarHBondContact O-ND2 3.13Å; I645-N659 VanDerWaalsContact O-ND2 3.15Å; R646-N659 PolarHBondContact O-ND2 3.27Å; Y648-N659 WeakPolarHBondContact O-CA 3.26Å; Y648-N659 WeakPolarHBondContact O-CB 3.38Å; Y648-N659 PolarHBondContact O-ND2 2.98Å; Y648-N659 PolarHBondContact O-OD1 3.36Å; N659-L661 PolarHBondContact O-N 2.86Å; N659-L661 WeakPolarHBondContact OD1-CA 3.39Å; N659-L661 VanDerWaalsContact OD1-CB 3.25Å; N659-L661 WeakPolarHBondContact OD1-CB 3.33Å; N659-L661 PolarHBondContact OD1-N 3.16Å; N659-K670 PolarHBondContact ND2-NZ 3.44Å
660P76.1Confident71.3Confident14 Ų1468.6 Ų68.69%0.09136%0.361CS..  trans-72.2-14.4-178.831.5-37.2000112.8G595 W614 E616 Y648 V650 E658 R662G595-P660 WeakPolarHBondContact CA-O 3.39Å; W614-P660 HydrophobicContact CD2-CG 4.41Å; W614-P660 HydrophobicContact CG-CB 4.5Å; W614-P660 HydrophobicContact CZ2-CB 4.47Å; W614-P660 HydrophobicContact CZ2-CG 3.97Å; E616-P660 WeakPolarHBondContact OE1-CB 3.04Å; Y648-P660 HydrophobicContact CD1-CG 4.02Å; Y648-P660 HydrophobicContact CE1-CG 4Å; V650-P660 HydrophobicContact CB-CG 4.37Å; V650-P660 HydrophobicContact CG2-CG 3.72Å; E658-P660 VanDerWaalsContact O-CD 3.28Å; E658-P660 WeakPolarHBondContact O-CD 3.38Å; P660-R662 PolarHBondContact O-N 3.23Å
661L80.8Confident71.9Confident1 Ų172.6 Ų72.61%0.00538%0.381CS..  trans-86.5108.1-174.8-49.8177.4000110.8F597 F612 W614 I645 Y648 N659 K670F597-L661 HydrophobicContact CB-CD2 3.75Å; F597-L661 HydrophobicContact CD1-CB 3.82Å; F597-L661 HydrophobicContact CD1-CD2 3.96Å; F597-L661 HydrophobicContact CD1-CG 4.41Å; F597-L661 HydrophobicContact CD2-CD2 4.34Å; F597-L661 HydrophobicContact CE1-CB 3.85Å; F597-L661 HydrophobicContact CG-CB 4.45Å; F597-L661 HydrophobicContact CG-CD2 3.78Å; F597-L661 HydrophobicContact CZ-CB 4.47Å; F612-L661 HydrophobicContact CD2-CD1 4.14Å; F612-L661 HydrophobicContact CD2-CD2 3.94Å; F612-L661 HydrophobicContact CE2-CD1 3.7Å; F612-L661 HydrophobicContact CE2-CD2 3.97Å; F612-L661 HydrophobicContact CE2-CG 4.35Å; F612-L661 HydrophobicContact CZ-CD1 4.03Å; W614-L661 HydrophobicContact CB-CD2 4.06Å; W614-L661 HydrophobicContact CD2-CD2 4.24Å; W614-L661 HydrophobicContact CE3-CD2 4.28Å; W614-L661 HydrophobicContact CG-CD2 4.2Å; I645-L661 HydrophobicContact CB-CD1 4.46Å; I645-L661 HydrophobicContact CG2-CD1 4.08Å; Y648-L661 HydrophobicContact CD1-CD1 4.07Å; Y648-L661 HydrophobicContact CD1-CG 4.24Å; Y648-L661 HydrophobicContact CG-CD1 4.44Å; N659-L661 PolarHBondContact O-N 2.86Å; N659-L661 WeakPolarHBondContact OD1-CA 3.39Å; N659-L661 VanDerWaalsContact OD1-CB 3.25Å; N659-L661 WeakPolarHBondContact OD1-CB 3.33Å; N659-L661 PolarHBondContact OD1-N 3.16Å; L661-K670 HydrophobicContact CB-CD 4.38Å; L661-K670 PolarHBondContact O-NZ 3.34Å
662R79.8Confident72.8Confident148 Ų14877.2 Ų77.256%0.55840%0.399SS*.  trans-114.2-47.7-178.4-63.2-174178.2-171.30.8112.9G595 P660 K670G595-R662 PolarHBondContact O-N 2.97Å; P660-R662 PolarHBondContact O-N 3.23Å; R662-K670 WeakPolarHBondContact O-CB 3.47Å; R662-K670 PolarHBondContact O-N 3.06Å
663F84.3Confident73.7Confident77 Ų7776 Ų7634%0.33839%0.389SS..EExtended strand (participates in β ladder)trans-126.1131.8-175.2-57.1-81.3000111.4G595 T596 F597 V668 P669G595-F663 PolarHBondContact O-N 3.32Å; G595-F663 VanDerWaalsContact O-N 3.08Å; T596-F663 CarbonylContact C-O 3.36Å; T596-F663 VanDerWaalsContact CA-O 3.24Å; T596-F663 WeakPolarHBondContact CA-O 3.41Å; F597-F663 WeakPolarHBondContact CD1-O 3.43Å; F597-F663 PolarHBondContact N-O 3.45Å; F663-V668 CarbonylContact C-O 3.5Å; F663-V668 WeakPolarHBondContact CA-O 3.13Å; F663-P669 HydrophobicContact CE1-CG 4.5Å
664L86.3Confident75.3Confident11 Ų1169 Ų696%0.05835%0.347CS..EExtended strand (participates in β ladder)trans-81.8132.9166.7-177.868.8000109C575 F597 L599 D667 V668 A673 F674C575-L664 HydrophobicContact CB-CD2 4.04Å; F597-L664 HydrophobicContact CD2-CD1 4.14Å; F597-L664 HydrophobicContact CE1-CB 4.4Å; F597-L664 HydrophobicContact CE2-CD1 3.75Å; F597-L664 HydrophobicContact CZ-CB 4.27Å; F597-L664 HydrophobicContact CZ-CD1 4.12Å; L599-L664 HydrophobicContact CG-CD1 4.37Å; L664-D667 PolarHBondContact O-N 2.68Å; L664-V668 HydrophobicContact CB-CB 4.44Å; L664-V668 PolarHBondContact N-O 2.85Å; L664-V668 PolarHBondContact O-N 2.92Å; L664-A673 HydrophobicContact CB-CB 4.35Å; L664-A673 HydrophobicContact CD2-CB 3.77Å; L664-F674 HydrophobicContact CB-CE2 4.31Å; L664-F674 HydrophobicContact CD1-CE2 4.2Å; L664-F674 HydrophobicContact CD1-CZ 4.08Å; L664-F674 HydrophobicContact CD2-CE2 3.94Å; L664-F674 HydrophobicContact CD2-CZ 3.9Å; L664-F674 HydrophobicContact CG-CE2 4.38Å
665Y79.6Confident76.6Confident56 Ų5663.1 Ų63.122%0.2233%0.328CS..THydrogen-bonded Turntrans-53.5136.3175.3-177.9-89.5000111.8M577 L588 K592 F597M577-Y665 HydrophobicContact CE-CD1 4.11Å; M577-Y665 HydrophobicContact CE-CE1 4.02Å; M577-Y665 HydrophobicContact SD-CD1 4.42Å; L588-Y665 HydrophobicContact CB-CE2 4.17Å; K592-Y665 HydrophobicContact CG-CD2 4.45Å; K592-Y665 HydrophobicContact CG-CE2 4.45Å; F597-Y665 PolarHBondContact O-N 3.38Å
666P75.6Confident77.7Confident66 Ų6664.6 Ų64.643%0.42933%0.328SS..THydrogen-bonded Turncis-74.6-45.95.3-21.234.6000116.2K592K592-P666 WeakPolarHBondContact CE-O 3.42Å; K592-P666 PolarHBondContact NZ-O 2.69Å
667D79.3Confident78.8Confident88 Ų8863.2 Ų63.247%0.47132%0.318SS..THydrogen-bonded Turntrans-159.341.5-178.3-62.2-64.5000111.2K592 L664K592-D667 IonicContact NZ-OD1 3.13Å; K592-D667 PolarHBondContact NZ-OD1 3.47Å; K592-D667 IonicContact NZ-OD2 3.48Å; K592-D667 PolarHBondContact NZ-OD2 3.11Å; L664-D667 PolarHBondContact O-N 2.68Å
668V81.5Confident79.8Confident52 Ų5261.4 Ų61.432%0.31530%0.303SS..EExtended strand (participates in β ladder)trans-95.6125.2-176.7-174.20000109.9F663 L664 K670 K672 A673F663-V668 CarbonylContact C-O 3.5Å; F663-V668 WeakPolarHBondContact CA-O 3.13Å; L664-V668 HydrophobicContact CB-CB 4.44Å; L664-V668 PolarHBondContact N-O 2.85Å; L664-V668 PolarHBondContact O-N 2.92Å; V668-K670 PolarHBondContact O-N 3.33Å; V668-K672 HydrophobicContact CG1-CB 4.31Å; V668-K672 HydrophobicContact CG1-CD 4.47Å; V668-K672 HydrophobicContact CG1-CG 4.47Å; V668-A673 HydrophobicContact CG1-CB 3.93Å
669P84.3Confident79.8Confident59 Ų5960.2 Ų60.238%0.38330%0.304SS..EExtended strand (participates in β ladder)trans-56.4136.8175-25.234000111.7F663 D671 K672 A673F663-P669 HydrophobicContact CE1-CG 4.5Å; P669-D671 VanDerWaalsContact C-N 3.3Å; P669-D671 PolarHBondContact O-N 2.89Å; P669-K672 HydrophobicContact CB-CB 4.19Å; P669-K672 WeakPolarHBondContact O-CB 3.34Å; P669-K672 PolarHBondContact O-N 2.91Å; P669-A673 PolarHBondContact O-N 3.26Å; P669-A673 VanDerWaalsContact O-N 3.07Å
670K82.6Confident79Confident26 Ų2667.6 Ų67.611%0.11333%0.334CS..Hα-helixtrans-49-49.1-178177.6-178.768.2-161.90112.7I645 N659 L661 R662 V668 K672 A673 F674I645-K670 HydrophobicContact CG2-CD 3.82Å; I645-K670 HydrophobicContact CG2-CG 4.01Å; N659-K670 PolarHBondContact ND2-NZ 3.44Å; L661-K670 HydrophobicContact CB-CD 4.38Å; L661-K670 PolarHBondContact O-NZ 3.34Å; R662-K670 WeakPolarHBondContact O-CB 3.47Å; R662-K670 PolarHBondContact O-N 3.06Å; V668-K670 PolarHBondContact O-N 3.33Å; K670-K672 VanDerWaalsContact C-N 3.28Å; K670-K672 PolarHBondContact O-N 3.04Å; K670-A673 PolarHBondContact O-N 3.46Å; K670-A673 VanDerWaalsContact O-N 3.16Å; K670-F674 HydrophobicContact CG-CD2 4.17Å; K670-F674 WeakPolarHBondContact O-CD2 3.3Å; K670-F674 PolarHBondContact O-N 3.06Å
671D81.1Confident77.6Confident102 Ų10272.7 Ų72.755%0.54537%0.367SS..Hα-helixtrans-69.6-26.9-177-56.2-52.2000112.4P669 G675P669-D671 VanDerWaalsContact C-N 3.3Å; P669-D671 PolarHBondContact O-N 2.89Å; D671-G675 WeakPolarHBondContact O-CA 3.48Å; D671-G675 PolarHBondContact O-N 2.92Å
672K81.6Confident75.4Confident165 Ų16577.3 Ų77.372%0.71740%0.399SS*.Hα-helixtrans-72-36.5173-171.7177.7179.9179.40111.7V668 P669 K670V668-K672 HydrophobicContact CG1-CB 4.31Å; V668-K672 HydrophobicContact CG1-CD 4.47Å; V668-K672 HydrophobicContact CG1-CG 4.47Å; P669-K672 HydrophobicContact CB-CB 4.19Å; P669-K672 WeakPolarHBondContact O-CB 3.34Å; P669-K672 PolarHBondContact O-N 2.91Å; K670-K672 VanDerWaalsContact C-N 3.28Å; K670-K672 PolarHBondContact O-N 3.04Å
673A78.3Confident73.1Confident13 Ų1379 Ų7911%0.10741%0.414CS..Hα-helixtrans-78.5-45.3-179.700000112.8L664 V668 P669 K670L664-A673 HydrophobicContact CB-CB 4.35Å; L664-A673 HydrophobicContact CD2-CB 3.77Å; V668-A673 HydrophobicContact CG1-CB 3.93Å; P669-A673 PolarHBondContact O-N 3.26Å; P669-A673 VanDerWaalsContact O-N 3.07Å; K670-A673 PolarHBondContact O-N 3.46Å; K670-A673 VanDerWaalsContact O-N 3.16Å
674F84.5Confident70.6Confident0 Ų081 Ų810%043%0.433CS..Hα-helixtrans-107.4-8.9-172.3-59.9-79.2000114.1L570 C575 F597 L599 I645 L664 K670 K676 Y677 Y678L570-F674 HydrophobicContact CD2-CD1 3.53Å; L570-F674 HydrophobicContact CD2-CE1 3.6Å; C575-F674 HydrophobicContact CB-CE1 4.15Å; C575-F674 HydrophobicContact CB-CZ 4.33Å; F597-F674 HydrophobicContact CE2-CE2 4.03Å; F597-F674 HydrophobicContact CE2-CZ 4.29Å; F597-F674 HydrophobicContact CZ-CD2 4.41Å; F597-F674 AromaticContact CZ-CE2 3.61Å; F597-F674 HydrophobicContact CZ-CE2 3.61Å; F597-F674 HydrophobicContact CZ-CZ 4.33Å; L599-F674 HydrophobicContact CD1-CE1 4.07Å; L599-F674 HydrophobicContact CD1-CZ 3.85Å; I645-F674 HydrophobicContact CD1-CD1 4.31Å; I645-F674 HydrophobicContact CD1-CE1 3.86Å; I645-F674 HydrophobicContact CD1-CE2 4.33Å; I645-F674 HydrophobicContact CD1-CZ 3.88Å; I645-F674 HydrophobicContact CG2-CD2 4.18Å; I645-F674 HydrophobicContact CG2-CE2 4.34Å; L664-F674 HydrophobicContact CB-CE2 4.31Å; L664-F674 HydrophobicContact CD1-CE2 4.2Å; L664-F674 HydrophobicContact CD1-CZ 4.08Å; L664-F674 HydrophobicContact CD2-CE2 3.94Å; L664-F674 HydrophobicContact CD2-CZ 3.9Å; L664-F674 HydrophobicContact CG-CE2 4.38Å; K670-F674 HydrophobicContact CG-CD2 4.17Å; K670-F674 WeakPolarHBondContact O-CD2 3.3Å; K670-F674 PolarHBondContact O-N 3.06Å; F674-K676 PolarHBondContact O-N 3.21Å; F674-K676 VanDerWaalsContact O-N 3.15Å; F674-Y677 WeakPolarHBondContact O-CA 3.34Å; F674-Y677 WeakPolarHBondContact O-CB 3.34Å; F674-Y677 PolarHBondContact O-N 3.44Å; F674-Y678 HydrophobicContact CB-CE1 3.74Å; F674-Y678 PolarHBondContact O-N 3.37Å
675G78.3Confident68Low31 Ų3186.3 Ų86.332%0.3247%0.468SS..G310 helixtrans-56.7-34-174.400000114.7D671 Y677 Y678D671-G675 WeakPolarHBondContact O-CA 3.48Å; D671-G675 PolarHBondContact O-N 2.92Å; G675-Y677 PolarHBondContact O-N 3.49Å; G675-Y678 PolarHBondContact O-N 2.86Å
676K79.2Confident65.9Low161 Ų16192.2 Ų92.270%0.750%0.497SS*.G310 helixtrans-63.8-22.8175.9-59.1-179-175.2175.60113.3F674F674-K676 PolarHBondContact O-N 3.21Å; F674-K676 VanDerWaalsContact O-N 3.15Å
677Y80.7Confident64Low53 Ų5395 Ų9521%0.20852%0.515CS..G310 helixtrans-100-6-176.5-58.2-62.5000113.3S569 L570 D573 P642 F674 G675S569-Y677 PolarHBondContact O-OH 3.11Å; S569-Y677 VanDerWaalsContact OG-CE1 3.24Å; S569-Y677 WeakPolarHBondContact OG-CE1 3.26Å; L570-Y677 HydrophobicContact CD2-CD2 3.74Å; L570-Y677 HydrophobicContact CD2-CE2 3.94Å; L570-Y677 HydrophobicContact CD2-CG 4.33Å; D573-Y677 PolarHBondContact OD2-OH 3.13Å; P642-Y677 HydrophobicContact CG-CG 4.41Å; F674-Y677 WeakPolarHBondContact O-CA 3.34Å; F674-Y677 WeakPolarHBondContact O-CB 3.34Å; F674-Y677 PolarHBondContact O-N 3.44Å; G675-Y677 PolarHBondContact O-N 3.49Å
678Y80.6Confident62Low27 Ų2799 Ų9911%0.10653%0.533CS..SBendtrans-70.6136.9175.3-62.4-24.5000109.7P642 R646 F674 G675 K680P642-Y678 HydrophobicContact CB-CD1 4.07Å; P642-Y678 HydrophobicContact CB-CE1 4.04Å; P642-Y678 WeakPolarHBondContact O-CE1 3.44Å; R646-Y678 HydrophobicContact CB-CD1 4.36Å; R646-Y678 HydrophobicContact CB-CE1 3.75Å; R646-Y678 HydrophobicContact CG-CE1 4.26Å; R646-Y678 HydrophobicContact CG-CE2 4.32Å; F674-Y678 HydrophobicContact CB-CE1 3.74Å; F674-Y678 PolarHBondContact O-N 3.37Å; G675-Y678 PolarHBondContact O-N 2.86Å; Y678-K680 PolarHBondContact O-N 3.06Å; Y678-K680 VanDerWaalsContact O-N 3.13Å
679P68.1Low60.3Low76 Ų76104.4 Ų104.449%0.49456%0.56SS.*PPolyproline II helixtrans-57.2123.9171.722.1-29.1000107.8D643D643-P679 WeakPolarHBondContact OD1-CD 3.39Å
680K56.2Low58Low194 Ų194107.1 Ų107.184%0.84358%0.576SS**PPolyproline II helixtrans-58.1134.6171.8-69.5-173.8178.3-173.20107.3Y678 S682Y678-K680 PolarHBondContact O-N 3.06Å; Y678-K680 VanDerWaalsContact O-N 3.13Å; K680-S682 PolarHBondContact O-N 2.91Å; K680-S682 VanDerWaalsContact O-N 3.07Å
681P46.2Very low56.1Low121 Ų121114.3 Ų114.379%0.78662%0.616SS**PPolyproline II helixtrans-54.8123.7171.214.5-17000107E683P681-E683 PolarHBondContact O-N 3.13Å
682S35.5Very low53.9Low97 Ų97115.5 Ų115.568%0.67863%0.626SS**  trans-56113.5171.150.50000106.8K680 T684K680-S682 PolarHBondContact O-N 2.91Å; K680-S682 VanDerWaalsContact O-N 3.07Å; S682-T684 PolarHBondContact O-N 3.39Å
683E31.3Very low51.9Low183 Ų183116.1 Ų116.186%0.85563%0.632SS**PPolyproline II helixtrans-50.5116.9164.5-74.7173175.100106.4P681 P685P681-E683 PolarHBondContact O-N 3.13Å; E683-P685 WeakPolarHBondContact O-CD 3.47Å
684T31.3Very low50.3Low121 Ų121125.1 Ų125.174%0.74267%0.672SS**PPolyproline II helixtrans-52.5122.2167.237.70000106.7S682 E686S682-T684 PolarHBondContact O-N 3.39Å; T684-E686 PolarHBondContact O-N 2.99Å; T684-E686 VanDerWaalsContact O-N 3.12Å
685P32.9Very low48.1Very low121 Ų121131.3 Ų131.379%0.78671%0.709SS**PPolyproline II helixtrans-56.4125.4173.322.3-30.1000107.4E683E683-P685 WeakPolarHBondContact O-CD 3.47Å
686E34.6Very low46.6Very low180 Ų180138.5 Ų138.584%0.84173%0.734SS**PPolyproline II helixtrans-51131.8172.7-68.3-173.4154.800108.4T684 M688T684-E686 PolarHBondContact O-N 2.99Å; T684-E686 VanDerWaalsContact O-N 3.12Å; E686-M688 PolarHBondContact O-N 2.9Å
687P36.2Very low44.8Very low125 Ų125134.1 Ų134.181%0.81274%0.735SS**  trans-68.8107.5179.726.9-29.9000108.2D689P687-D689 PolarHBondContact O-N 2.99Å
688M36.8Very low43.3Very low171 Ų171142.4 Ų142.484%0.84277%0.768SS**  trans-64.6120.5159.7-78.4-93.9-7500107.7E686 T690E686-M688 PolarHBondContact O-N 2.9Å; M688-T690 PolarHBondContact O-N 3.46Å
689D45.7Very low41.1Very low166 Ų166149.6 Ų149.689%0.88880%0.804SS**SBendtrans-46.5101.1173.8-83.6-40.1000111.4P687P687-D689 PolarHBondContact O-N 2.99Å
690T37.2Very low40Very low117 Ų117154 Ų15472%0.71882%0.816SS**  trans-157.4124.9152.428.80000109M688 V692M688-T690 PolarHBondContact O-N 3.46Å; T690-V692 PolarHBondContact O-N 2.99Å
691D42.9Very low39.6Very low176 Ų176151 Ų15194%0.94181%0.813SS**  trans-45.6106.2173.3-78.9-44.1000111.9
692V35Very low40.1Very low127 Ų127151.6 Ų151.677%0.7781%0.806SS**  trans-136.2123.7163.8-172.30000109T690T690-V692 PolarHBondContact O-N 2.99Å
693Q38.9Very low41.3Very low178 Ų178153.2 Ų153.283%0.83281%0.806SS**  trans-44.4141.5-179.1-69.9164.6-40.400113.8V695Q693-V695 PolarHBondContact O-N 3.43Å
694E43.9Very low42.9Very low202 Ų202148.6 Ų148.694%0.94479%0.786SS**  trans-48.6100.2170-67.3179.5152.700111.4
695V39.8Very low44.3Very low130 Ų130144.2 Ų144.279%0.78876%0.761SS**  trans-92.7116.1165.9-179.60000107.2Q693 G697Q693-V695 PolarHBondContact O-N 3.43Å; V695-G697 PolarHBondContact O-N 3.06Å
696H45.1Very low45.6Very low182 Ų182142.2 Ų142.284%0.84375%0.746SS**  trans-40.8107.4175.3-72.8-48.7000112.6Y698H696-Y698 PolarHBondContact O-N 2.78Å
697G41.9Very low47Very low70 Ų70135.4 Ų135.472%0.72272%0.718SS**PPolyproline II helixtrans-71.1121.3174.500000110.4V695 M699V695-G697 PolarHBondContact O-N 3.06Å; G697-M699 PolarHBondContact O-N 3.01Å
698Y48.5Very low47.6Very low227 Ų227137.9 Ų137.989%0.8972%0.719SS**PPolyproline II helixtrans-53.2132.7167-66.4-85000109.5H696 K700H696-Y698 PolarHBondContact O-N 2.78Å; Y698-K700 PolarHBondContact O-N 2.75Å
699M34.9Very low48.2Very low177 Ų177133.8 Ų133.887%0.87270%0.704SS**PPolyproline II helixtrans-57.6124.5174.8-75.4-176.6175.200109.4G697 T701G697-M699 PolarHBondContact O-N 3.01Å; M699-T701 PolarHBondContact O-N 3.11Å; M699-T701 VanDerWaalsContact O-N 3.07Å
700K44.7Very low47.5Very low169 Ų169132.7 Ų132.774%0.73569%0.693SS**  trans-66.4108.5174.8-166.6-176.9-179.9-162.20108.4Y698 E702Y698-K700 PolarHBondContact O-N 2.75Å; K700-E702 IonicContact NZ-OE1 3.87Å; K700-E702 PolarHBondContact NZ-OE1 2.83Å
701T47.4Very low47.3Very low130 Ų130131.4 Ų131.480%0.79869%0.686SS**  trans-95.5127.3177.254.10000110.2M699M699-T701 PolarHBondContact O-N 3.11Å; M699-T701 VanDerWaalsContact O-N 3.07Å
702E56.9Low47.1Very low134 Ų134126.7 Ų126.763%0.62667%0.667SS**  trans-115.4133.3172.8-68.5-178.8-178.400109.4K700K700-E702 IonicContact NZ-OE1 3.87Å; K700-E702 PolarHBondContact NZ-OE1 2.83Å
703L62.2Low47.2Very low131 Ų131129.7 Ų129.769%0.68667%0.665SS**  trans-80.1125.9177.8-75.5161.9000109.5V639V639-L703 HydrophobicContact CG2-CB 3.95Å; V639-L703 HydrophobicContact CG2-CD1 4.4Å
704I63.5Low47.1Very low86 Ų86127.5 Ų127.544%0.44166%0.658SS.*  trans-118.4127.7-179.9-57.2173.9000108.9T647 V706T647-I704 VanDerWaalsContact O-CG2 3.26Å; T647-I704 WeakPolarHBondContact O-CG2 3.18Å; I704-V706 HydrophobicContact CG2-CG2 4.05Å; I704-V706 PolarHBondContact O-N 3.31Å
705S61.7Low46.7Very low30 Ų30125.4 Ų125.421%0.2165%0.648CS.*  trans-81115.8174-58.30000110.2Y648 K649Y648-S705 WeakPolarHBondContact CD2-O 3.31Å; K649-S705 PolarHBondContact N-O 3.29Å
706V60.7Low46.5Very low78 Ų78126.2 Ų126.247%0.47365%0.648SS.*EExtended strand (participates in β ladder)trans-119.5132.6177.3-174.90000109.4K649 M651 I704K649-V706 WeakPolarHBondContact O-CA 3.5Å; M651-V706 HydrophobicContact CG-CG1 4.37Å; I704-V706 HydrophobicContact CG2-CG2 4.05Å; I704-V706 PolarHBondContact O-N 3.31Å
707S63.2Low46.2Very low37 Ų37125 Ų12526%0.25965%0.648SS.*EExtended strand (participates in β ladder)trans-104.8126172.4-62.10000110.5Y648 K649Y648-S707 VanDerWaalsContact OH-CB 3.26Å; Y648-S707 WeakPolarHBondContact OH-CB 3.27Å; Y648-S707 PolarHBondContact OH-OG 3.12Å; K649-S707 PolarHBondContact O-N 2.81Å
708E48.9Very low45.9Very low178 Ų178129.3 Ų129.383%0.83265%0.651SS**PPolyproline II helixtrans-83.5128.3173.1-68.1-178.4175.900110H710E708-H710 PolarHBondContact O-N 3.07Å
709V48.7Very low45.7Very low84 Ų84127 Ų12751%0.50965%0.651SS.*PPolyproline II helixtrans-77.6120.5171.2-174.50000107.7V650 P711V650-V709 HydrophobicContact CG1-CG2 3.96Å; V709-P711 WeakPolarHBondContact O-CD 3.43Å
710H31Very low46.5Very low143 Ų143124.5 Ų124.566%0.66265%0.648SS**PPolyproline II helixtrans-60.5127.1-177.1-150.3-25.4000110.3E708 S712E708-H710 PolarHBondContact O-N 3.07Å; H710-S712 PolarHBondContact O-N 2.89Å
711P34.1Very low46.8Very low90 Ų90121.9 Ų121.958%0.58464%0.64SS**G310 helixtrans-63.1-2.4-174.716.8-31.3000116.2V709 R713 L714V709-P711 WeakPolarHBondContact O-CD 3.43Å; P711-R713 PolarHBondContact O-N 2.82Å; P711-R713 VanDerWaalsContact O-N 3.07Å; P711-L714 PolarHBondContact O-N 3.17Å; P711-L714 VanDerWaalsContact O-N 3.12Å
712S37.3Very low47.3Very low77 Ų77118.2 Ų118.254%0.53862%0.619SS.*G310 helixtrans-68.2-3.2-179.135.80000115H710H710-S712 PolarHBondContact O-N 2.89Å
713R38.1Very low47.5Very low190 Ų190116.4 Ų116.472%0.71762%0.619SS**G310 helixtrans-95.8-8.9170.2-75.9-166.5175.1-176.4-0.1115.2P711P711-R713 PolarHBondContact O-N 2.82Å; P711-R713 VanDerWaalsContact O-N 3.07Å
714L37.3Very low47.5Very low133 Ų133115.6 Ų115.670%0.69662%0.615SS**SBendtrans-84.2-16.4178.5-74.8165.1000113.1P711P711-L714 PolarHBondContact O-N 3.17Å; P711-L714 VanDerWaalsContact O-N 3.12Å
715Q35.3Very low47.4Very low157 Ų157115.8 Ų115.873%0.73462%0.617SS**SBendtrans-88.7-13.3-176.3-77.5-177.4-20.500115.1N717Q715-N717 VanDerWaalsContact C-N 3.29Å; Q715-N717 PolarHBondContact O-N 3.33Å
716D35.2Very low47.5Very low147 Ų147120 Ų12079%0.78663%0.629SS**THydrogen-bonded Turntrans-79.8-3.8-175.9-93.4-12.4000114.6
717N37.9Very low47.6Very low156 Ų156122.1 Ų122.183%0.83463%0.632SS**THydrogen-bonded Turntrans-105.49.6-179.4-83.3-6.6000115.2Q715Q715-N717 VanDerWaalsContact C-N 3.29Å; Q715-N717 PolarHBondContact O-N 3.33Å
718M36.9Very low47.8Very low161 Ų161124.2 Ų124.279%0.79364%0.644SS**  trans-96.699.4168.8-66.4-152.1-66.100109.8
719M44.2Very low48.1Very low179 Ų179119.3 Ų119.388%0.88262%0.623SS**PPolyproline II helixtrans-59.7137.9164.6-78.6-154.1171.100109.3M721M719-M721 PolarHBondContact O-N 3.31Å
720P51.2Low48.6Very low125 Ų125120.6 Ų120.681%0.81262%0.623SS**PPolyproline II helixtrans-60.7130.6173.624.4-31.1000109.4
721M51Low50.1Low114 Ų114124.4 Ų124.456%0.56263%0.632SS**PPolyproline II helixtrans-57.1140.8179.2-151.5-171.5-70.500110.6M719 D725 L729M719-M721 PolarHBondContact O-N 3.31Å; M721-D725 HydrophobicContact CG-CB 3.78Å; M721-D725 HydrophobicContact SD-CB 3.96Å; M721-L729 HydrophobicContact CE-CD1 3.69Å; M721-L729 HydrophobicContact SD-CD1 3.4Å; M721-L729 WeakPolarHBondContact SD-CD1 3.4Å
722S58.8Low51.6Low52 Ų52126.3 Ų126.336%0.36464%0.635SS.*PPolyproline II helixtrans-60.7144.21781760000110.8D724 D725 Y726S722-D724 PolarHBondContact O-N 3.35Å; S722-D725 PolarHBondContact O-N 3.36Å; S722-Y726 PolarHBondContact O-N 3.01Å; S722-Y726 VanDerWaalsContact O-N 3.17Å
723P60.5Low52.6Low97 Ų97125.1 Ų125.163%0.6363%0.625SS**Hα-helixtrans-55-24176.6-25.533.9000114.5K727P723-K727 WeakPolarHBondContact O-CG 3.5Å; P723-K727 PolarHBondContact O-N 3Å
724D61.8Low53.6Low113 Ų113118.5 Ų118.560%0.60461%0.608SS**Hα-helixtrans-79.2-33.5178.1-67.8-35.6000112.4S722 V728S722-D724 PolarHBondContact O-N 3.35Å; D724-V728 WeakPolarHBondContact O-CG2 3.47Å; D724-V728 PolarHBondContact O-N 2.98Å
725D61.3Low54.6Low91 Ų91117.2 Ų117.249%0.48761%0.607SS.*Hα-helixtrans-74.3-35.6176.5-64.9-34.5000111.3M721 S722 K727 V728 L729M721-D725 HydrophobicContact CG-CB 3.78Å; M721-D725 HydrophobicContact SD-CB 3.96Å; S722-D725 PolarHBondContact O-N 3.36Å; D725-K727 VanDerWaalsContact C-N 3.34Å; D725-K727 PolarHBondContact O-N 2.66Å; D725-V728 PolarHBondContact O-N 3.04Å; D725-L729 PolarHBondContact O-N 3.09Å
726Y63.7Low55.6Low117 Ų117120.2 Ų120.246%0.45961%0.612SS.*Hα-helixtrans-62.2-39.6174.8-175.3-95.5000112.3S722 V728 L729 E730S722-Y726 PolarHBondContact O-N 3.01Å; S722-Y726 VanDerWaalsContact O-N 3.17Å; Y726-V728 VanDerWaalsContact C-N 3.28Å; Y726-V728 PolarHBondContact O-N 3.15Å; Y726-L729 PolarHBondContact O-N 3.24Å; Y726-E730 HydrophobicContact CD1-CG 4.49Å; Y726-E730 HydrophobicContact CE1-CG 3.99Å; Y726-E730 VanDerWaalsContact CE1-OE1 3.28Å; Y726-E730 WeakPolarHBondContact CE1-OE1 3.28Å; Y726-E730 PolarHBondContact O-N 3.38Å; Y726-E730 VanDerWaalsContact O-N 3.09Å
727K62.7Low56.6Low123 Ų123117.9 Ų117.954%0.53560%0.6SS.*Hα-helixtrans-68-25.8176.6-77.7176.1-177.7168.50113.7P723 D725P723-K727 WeakPolarHBondContact O-CG 3.5Å; P723-K727 PolarHBondContact O-N 3Å; D725-K727 VanDerWaalsContact C-N 3.34Å; D725-K727 PolarHBondContact O-N 2.66Å
728V67.7Low57.4Low82 Ų82113.1 Ų113.150%0.49757%0.574SS.*Hα-helixtrans-75.4-38.7174.8174.50000110.1D724 D725 Y726 R731 I732D724-V728 WeakPolarHBondContact O-CG2 3.47Å; D724-V728 PolarHBondContact O-N 2.98Å; D725-V728 PolarHBondContact O-N 3.04Å; Y726-V728 VanDerWaalsContact C-N 3.28Å; Y726-V728 PolarHBondContact O-N 3.15Å; V728-R731 PolarHBondContact O-N 3.31Å; V728-I732 HydrophobicContact CG1-CD1 3.95Å; V728-I732 WeakPolarHBondContact O-CG1 3.43Å
729L56.3Low58.1Low75 Ų75111.2 Ų111.239%0.39357%0.566SS.*Hα-helixtrans-66.5-38.9176.3-87.1153.7000113.4M721 D725 Y726 R731 I732 V733M721-L729 HydrophobicContact CE-CD1 3.69Å; M721-L729 HydrophobicContact SD-CD1 3.4Å; M721-L729 WeakPolarHBondContact SD-CD1 3.4Å; D725-L729 PolarHBondContact O-N 3.09Å; Y726-L729 PolarHBondContact O-N 3.24Å; L729-R731 PolarHBondContact O-N 3.26Å; L729-R731 VanDerWaalsContact O-N 3.15Å; L729-I732 PolarHBondContact O-N 3.19Å; L729-V733 HydrophobicContact CD2-CG2 4.2Å; L729-V733 PolarHBondContact O-N 3.46Å
730E58.8Low58.5Low110 Ų110106.7 Ų106.751%0.51456%0.557SS.*THydrogen-bonded Turntrans-61.3-20.1173.7-85.1-172.9161.900113.9Y726Y726-E730 HydrophobicContact CD1-CG 4.49Å; Y726-E730 HydrophobicContact CE1-CG 3.99Å; Y726-E730 VanDerWaalsContact CE1-OE1 3.28Å; Y726-E730 WeakPolarHBondContact CE1-OE1 3.28Å; Y726-E730 PolarHBondContact O-N 3.38Å; Y726-E730 VanDerWaalsContact O-N 3.09Å
731R62.6Low58.5Low223 Ų223106.7 Ų106.784%0.84256%0.555SS**THydrogen-bonded Turntrans-86.4-17.2176.2-69.2179.9-178.8-176.31113.5V728 L729V728-R731 PolarHBondContact O-N 3.31Å; L729-R731 PolarHBondContact O-N 3.26Å; L729-R731 VanDerWaalsContact O-N 3.15Å
732I64.3Low58.4Low130 Ų130106.3 Ų106.367%0.66756%0.559SS**THydrogen-bonded Turntrans-110.1-27.3-171.2-59.2169.1000111.2V728 L729V728-I732 HydrophobicContact CG1-CD1 3.95Å; V728-I732 WeakPolarHBondContact O-CG1 3.43Å; L729-I732 PolarHBondContact O-N 3.19Å
733V59.1Low57.1Low52 Ų52108.3 Ų108.332%0.31557%0.573SS.*SBendtrans-115.5136.2-174.6-174.20000110.4L729 D737 I738L729-V733 HydrophobicContact CD2-CG2 4.2Å; L729-V733 PolarHBondContact O-N 3.46Å; V733-D737 HydrophobicContact CG1-CB 3.89Å; V733-I738 HydrophobicContact CB-CD1 4.39Å; V733-I738 HydrophobicContact CB-CG1 4.41Å; V733-I738 HydrophobicContact CG1-CD1 4.35Å; V733-I738 HydrophobicContact CG1-CG1 3.86Å
734S59.3Low56.3Low52 Ų52109.8 Ų109.836%0.36458%0.582SS.*  trans-69.9144.5179.1930000110.7R736 D737S734-R736 PolarHBondContact O-N 3.21Å; S734-D737 PolarHBondContact O-N 3.17Å; S734-D737 PolarHBondContact OG-OD2 3.45Å
735P58.1Low55Low105 Ų105108.8 Ų108.868%0.68258%0.584SS**Hα-helixtrans-57.4-22.7-178.9-2633.6000114.3
736R56.6Low53.5Low220 Ų220115.1 Ų115.183%0.8361%0.608SS**Hα-helixtrans-73.7-27.7178.3-75.2-174.6172.3-176.7-2113.5S734S734-R736 PolarHBondContact O-N 3.21Å
737D56.3Low52Low99 Ų99114.6 Ų114.653%0.52962%0.621SS.*Hα-helixtrans-84.2-21.7-178.3-57.7-49.7000111.7V733 S734V733-D737 HydrophobicContact CG1-CB 3.89Å; S734-D737 PolarHBondContact O-N 3.17Å; S734-D737 PolarHBondContact OG-OD2 3.45Å
738I54.5Low50.6Low56 Ų56113.7 Ų113.729%0.28763%0.63SS.*Hα-helixtrans-76.8-41.5176.7-59.4175.1000110.5V733 A740 V741 V742V733-I738 HydrophobicContact CB-CD1 4.39Å; V733-I738 HydrophobicContact CB-CG1 4.41Å; V733-I738 HydrophobicContact CG1-CD1 4.35Å; V733-I738 HydrophobicContact CG1-CG1 3.86Å; I738-A740 VanDerWaalsContact C-N 3.29Å; I738-A740 PolarHBondContact O-N 3.01Å; I738-V741 PolarHBondContact O-N 3.03Å; I738-V742 WeakPolarHBondContact O-CG2 3.46Å
739D51.3Low49Very low120 Ų120121.4 Ų121.464%0.64265%0.65SS**Hα-helixtrans-67.5-26179-92.3-15.6000113.7V741D739-V741 PolarHBondContact O-N 3.47Å
740A53.6Low47.9Very low84 Ų84128 Ų12869%0.69470%0.7SS**Hα-helixtrans-69.5-20.6178.400000113.4I738I738-A740 VanDerWaalsContact C-N 3.29Å; I738-A740 PolarHBondContact O-N 3.01Å
741V51.1Low47.4Very low126 Ų126128.9 Ų128.976%0.76471%0.71SS**Hα-helixtrans-97.2-15.1-174.8-176.80000112.3I738 D739I738-V741 PolarHBondContact O-N 3.03Å; D739-V741 PolarHBondContact O-N 3.47Å
742V48Very low46.6Very low106 Ų106123.9 Ų123.964%0.64270%0.703SS**Hα-helixtrans-108.5-2.7-167.2-173.10000114.3I738 P744I738-V742 WeakPolarHBondContact O-CG2 3.46Å; V742-P744 WeakPolarHBondContact O-CD 3.49Å
743S32.3Very low45.6Very low93 Ų93123.6 Ų123.665%0.6571%0.705SS**  trans-99.7118.2-178.8-67.20000114.1
744P43.8Very low44.8Very low128 Ų128127.8 Ų127.883%0.83173%0.727SS**  trans-97.4100170.234.6-24.4000110V742V742-P744 WeakPolarHBondContact O-CD 3.49Å
745S34.1Very low43.9Very low92 Ų92132.5 Ų132.564%0.64375%0.75SS**  trans-157.689.317048.70000112.5
746F30.6Very low42.9Very low225 Ų225134.3 Ų134.399%0.98776%0.755SS**  trans-153.395139.8-98.7-72.1000110.1
747S30.5Very low42Very low106 Ų106128.2 Ų128.274%0.74175%0.749SS**  trans-115.8126.3154.473.90000109.7
748S35Very low40.9Very low103 Ų103130.5 Ų130.572%0.7277%0.766SS**  trans55.7114.5151.860.90000121.4
749R32.9Very low39.7Very low244 Ų244136.7 Ų136.792%0.92181%0.806SS**  173.4103.6118.9-95.4176.6-172.8-165.32.7112.2
750C33.8Very low38.7Very low213 Ų213138.2 Ų138.2100%1.43982%0.821SS**  172.70129.9-98.60000108.5

Retrieved 750 of 750 residues in 627.9 ms (Link to these results)

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