A0A060WY49_ONCMY Loading...

Syntaxin-binding protein 2

AlphaFold DB , UniProt , Accession A0A060WY49, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110486100, Length 592 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
1M27.4Very low75.4Confident230 Ų23049.2 Ų49.2100%1.13331%0.309SS*.  0118.50-80-176.4-86.900105.9
2A31.2Very low76.9Confident85 Ų8555.4 Ų55.470%0.70233%0.332SS*.  trans-60148.4177.400000109.6S4A2-S4 PolarHBondContact O-N 2.9Å
3P50.3Low78.2Confident40 Ų4055.5 Ų55.526%0.2633%0.325SS..  trans-52142.2166.123-30.7000109.1G5P3-G5 PolarHBondContact O-N 3.04Å
4S69.7Low79.4Confident48 Ų4851.6 Ų51.634%0.33630%0.302SS..  trans-57.9114.617451.30000108.3A2A2-S4 PolarHBondContact O-N 2.9Å
5G87.6Confident80.3Confident16 Ų1650 Ų5017%0.16529%0.292CS..  trans-60.9163.2-178.600000112.6P3 K7 A8 V9P3-G5 PolarHBondContact O-N 3.04Å; G5-K7 PolarHBondContact O-N 3.26Å; G5-K7 VanDerWaalsContact O-N 3.13Å; G5-A8 WeakPolarHBondContact O-CB 3.24Å; G5-A8 PolarHBondContact O-N 3.47Å; G5-V9 PolarHBondContact O-N 2.91Å
6L93.5Very high81.2Confident4 Ų450.9 Ų50.92%0.02130%0.295CS..Hα-helixtrans-49.6-41.9-176.8-77.5170.4000113.8A8 V9 V10 F136 P138 S141 F144 L178 L182 L565L6-A8 VanDerWaalsContact C-N 3.32Å; L6-A8 PolarHBondContact O-N 2.65Å; L6-V9 PolarHBondContact O-N 3.07Å; L6-V10 WeakPolarHBondContact O-CG2 3.39Å; L6-V10 PolarHBondContact O-N 2.77Å; L6-F136 HydrophobicContact CD2-CE2 4.43Å; L6-P138 HydrophobicContact CB-CB 4.01Å; L6-S141 WeakPolarHBondContact CG-O 3.4Å; L6-S141 PolarHBondContact N-O 2.89Å; L6-F144 HydrophobicContact CD1-CB 4.2Å; L6-L178 HydrophobicContact CD2-CD1 3.83Å; L6-L182 HydrophobicContact CD2-CD1 4.17Å; L6-L182 HydrophobicContact CD2-CD2 3.86Å; L6-L182 HydrophobicContact CD2-CG 4.32Å; L6-L565 HydrophobicContact CD1-CD1 4.45Å; L6-L565 HydrophobicContact CD1-CD2 4Å; L6-L565 HydrophobicContact CD2-CD1 4.16Å; L6-L565 HydrophobicContact CG-CD1 4.48Å; L6-L565 HydrophobicContact CG-CD2 4.18Å
7K94.3Very high81.8Confident34 Ų3450 Ų5015%0.14830%0.299CS..Hα-helixtrans-56.8-44.2176.1-70.9-175-173.7-87.20112.5G5 G11 S43 C44 P138 Y139 E282G5-K7 PolarHBondContact O-N 3.26Å; G5-K7 VanDerWaalsContact O-N 3.13Å; K7-G11 WeakPolarHBondContact O-CA 3.25Å; K7-G11 PolarHBondContact O-N 3.04Å; K7-S43 VanDerWaalsContact CD-O 3.26Å; K7-S43 WeakPolarHBondContact CD-O 3.32Å; K7-S43 WeakPolarHBondContact CG-O 3.45Å; K7-S43 PolarHBondContact NZ-O 3.34Å; K7-C44 HydrophobicContact CB-CB 4.46Å; K7-C44 VanDerWaalsContact O-CB 3.26Å; K7-C44 WeakPolarHBondContact O-CB 3.48Å; K7-P138 WeakPolarHBondContact CE-O 3.38Å; K7-P138 HydrophobicContact CG-CB 4.06Å; K7-P138 HydrophobicContact CG-CG 4.43Å; K7-P138 VanDerWaalsContact CG-O 3.28Å; K7-P138 WeakPolarHBondContact CG-O 3.35Å; K7-P138 PolarHBondContact NZ-O 2.94Å; K7-Y139 WeakPolarHBondContact CE-O 3.03Å; K7-Y139 PolarHBondContact NZ-O 2.84Å; K7-E282 HydrophobicContact CD-CB 4.07Å; K7-E282 HydrophobicContact CD-CG 4.37Å; K7-E282 VanDerWaalsContact CD-OE2 3.28Å; K7-E282 WeakPolarHBondContact CD-OE2 3.39Å; K7-E282 WeakPolarHBondContact CE-OE2 3.28Å
8A92.8Very high82.5Confident53 Ų5347.2 Ų47.244%0.43828%0.283SS..Hα-helixtrans-66.8-43.4179.600000111.3G5 L6 G11 E12G5-A8 WeakPolarHBondContact O-CB 3.24Å; G5-A8 PolarHBondContact O-N 3.47Å; L6-A8 VanDerWaalsContact C-N 3.32Å; L6-A8 PolarHBondContact O-N 2.65Å; A8-G11 PolarHBondContact O-N 3.04Å; A8-E12 WeakPolarHBondContact O-CB 3.44Å; A8-E12 PolarHBondContact O-N 3.29Å
9V93.6Very high83.1Confident28 Ų2844.8 Ų44.817%0.1727%0.268CS..Hα-helixtrans-61.1-48.6178.9178.40000111.1G5 L6 K13 T181 L182G5-V9 PolarHBondContact O-N 2.91Å; L6-V9 PolarHBondContact O-N 3.07Å; V9-K13 WeakPolarHBondContact O-CB 3.35Å; V9-K13 PolarHBondContact O-N 3.38Å; V9-K13 VanDerWaalsContact O-N 3.09Å; V9-T181 HydrophobicContact CG1-CG2 3.84Å; V9-L182 HydrophobicContact CG1-CD2 4.44Å
10V94.8Very high83.7Confident0 Ų046.8 Ų46.80%027%0.273CS..Hα-helixtrans-68.5-43.5179.41760000111.1L6 E12 K13 I14 I40 C44 V134 F136 P138 T181L6-V10 WeakPolarHBondContact O-CG2 3.39Å; L6-V10 PolarHBondContact O-N 2.77Å; V10-E12 VanDerWaalsContact C-N 3.33Å; V10-E12 PolarHBondContact O-N 2.87Å; V10-K13 PolarHBondContact O-N 2.95Å; V10-I14 HydrophobicContact CG1-CD1 3.85Å; V10-I14 HydrophobicContact CG1-CG1 4.39Å; V10-I14 WeakPolarHBondContact O-CG1 3.46Å; V10-I14 PolarHBondContact O-N 3.44Å; V10-I40 HydrophobicContact CG1-CG2 4.08Å; V10-C44 HydrophobicContact CB-CB 4.45Å; V10-C44 HydrophobicContact CG1-CB 4.44Å; V10-V134 HydrophobicContact CG1-CG1 3.73Å; V10-V134 HydrophobicContact CG2-CG1 4.4Å; V10-F136 HydrophobicContact CG2-CE1 4.49Å; V10-F136 HydrophobicContact CG2-CE2 3.87Å; V10-F136 HydrophobicContact CG2-CZ 3.56Å; V10-P138 HydrophobicContact CB-CB 4.41Å; V10-P138 HydrophobicContact CB-CG 3.97Å; V10-P138 HydrophobicContact CG1-CG 4.08Å; V10-P138 HydrophobicContact CG2-CB 4.12Å; V10-P138 HydrophobicContact CG2-CG 4.08Å; V10-T181 HydrophobicContact CG2-CG2 4.21Å
11G94.5Very high84.2Confident3 Ų347.3 Ų47.33%0.03128%0.279CS..Hα-helixtrans-60-42.5178.500000112.2K7 A8 I14 L15K7-G11 WeakPolarHBondContact O-CA 3.25Å; K7-G11 PolarHBondContact O-N 3.04Å; A8-G11 PolarHBondContact O-N 3.04Å; G11-I14 PolarHBondContact O-N 3.32Å; G11-L15 VanDerWaalsContact O-CB 3.28Å; G11-L15 WeakPolarHBondContact O-CB 3.13Å; G11-L15 VanDerWaalsContact O-CG 3.31Å; G11-L15 WeakPolarHBondContact O-CG 3.23Å; G11-L15 PolarHBondContact O-N 3.06Å
12E93.1Very high87.4Confident124 Ų12436.8 Ų36.858%0.57923%0.228SC*.Hα-helixtrans-64.5-44.2174.6-171.6178.6177.500111.7A8 V10 I14 L15 N16A8-E12 WeakPolarHBondContact O-CB 3.44Å; A8-E12 PolarHBondContact O-N 3.29Å; V10-E12 VanDerWaalsContact C-N 3.33Å; V10-E12 PolarHBondContact O-N 2.87Å; E12-I14 VanDerWaalsContact C-N 3.33Å; E12-I14 PolarHBondContact O-N 3.37Å; E12-L15 PolarHBondContact O-N 3.36Å; E12-N16 WeakPolarHBondContact CG-ND2 3.46Å; E12-N16 VanDerWaalsContact O-CB 3.25Å; E12-N16 WeakPolarHBondContact O-CB 3.42Å; E12-N16 PolarHBondContact O-N 3Å; E12-N16 PolarHBondContact OE1-ND2 3.08Å
13K93.6Very high90.3Very high56 Ų5636.6 Ų36.624%0.24321%0.211CC..Hα-helixtrans-60.3-41.8178.1-170.5169.9175.9-170.60111.6V9 V10 G17 I132 N133 V134 D180 T181V9-K13 WeakPolarHBondContact O-CB 3.35Å; V9-K13 PolarHBondContact O-N 3.38Å; V9-K13 VanDerWaalsContact O-N 3.09Å; V10-K13 PolarHBondContact O-N 2.95Å; K13-G17 WeakPolarHBondContact O-CA 3.47Å; K13-G17 PolarHBondContact O-N 2.8Å; K13-I132 WeakPolarHBondContact CE-O 3.33Å; K13-I132 PolarHBondContact NZ-O 2.86Å; K13-N133 PolarHBondContact NZ-O 3.49Å; K13-V134 HydrophobicContact CD-CG2 3.69Å; K13-V134 HydrophobicContact CG-CG2 4.37Å; K13-D180 IonicContact NZ-OD2 2.79Å; K13-T181 HydrophobicContact CD-CG2 3.99Å; K13-T181 PolarHBondContact NZ-OG1 3.12Å
14I94.7Very high92.4Very high1 Ų139.3 Ų39.31%0.00522%0.219CC..Hα-helixtrans-72.9-50.5177.3-66.9175.1000111.3V10 G11 E12 N16 V18 I19 I40 L41 L76 I132V10-I14 HydrophobicContact CG1-CD1 3.85Å; V10-I14 HydrophobicContact CG1-CG1 4.39Å; V10-I14 WeakPolarHBondContact O-CG1 3.46Å; V10-I14 PolarHBondContact O-N 3.44Å; G11-I14 PolarHBondContact O-N 3.32Å; E12-I14 VanDerWaalsContact C-N 3.33Å; E12-I14 PolarHBondContact O-N 3.37Å; I14-N16 PolarHBondContact O-N 2.96Å; I14-V18 HydrophobicContact CG2-CB 4.49Å; I14-V18 WeakPolarHBondContact O-CA 3.43Å; I14-V18 WeakPolarHBondContact O-CB 3.28Å; I14-V18 PolarHBondContact O-N 3.28Å; I14-I19 PolarHBondContact O-N 3.26Å; I14-I40 HydrophobicContact CD1-CG2 3.68Å; I14-L41 HydrophobicContact CG2-CD1 3.84Å; I14-L76 HydrophobicContact CG2-CD2 4.25Å; I14-I132 HydrophobicContact CG1-CD1 4.43Å
15L93.9Very high93.3Very high28 Ų2844.3 Ų44.315%0.14724%0.242CC..Iπ-helixtrans-61.6-45-177.9-74.8171.9000111.7G11 E12 I19 K20 D49G11-L15 VanDerWaalsContact O-CB 3.28Å; G11-L15 WeakPolarHBondContact O-CB 3.13Å; G11-L15 VanDerWaalsContact O-CG 3.31Å; G11-L15 WeakPolarHBondContact O-CG 3.23Å; G11-L15 PolarHBondContact O-N 3.06Å; E12-L15 PolarHBondContact O-N 3.36Å; L15-I19 HydrophobicContact CD2-CG1 4.46Å; L15-I19 PolarHBondContact O-N 3.32Å; L15-K20 WeakPolarHBondContact O-CB 3.26Å; L15-K20 WeakPolarHBondContact O-CG 3.44Å; L15-K20 PolarHBondContact O-N 3.16Å; L15-D49 HydrophobicContact CD1-CB 4.43Å; L15-D49 HydrophobicContact CD2-CB 4.43Å
16N93.5Very high93.3Very high65 Ų6547.5 Ų47.535%0.34828%0.275SS..Iπ-helixtrans-82.2-45.1-178.5-64.3-19.8000112E12 I14 K20 S21E12-N16 WeakPolarHBondContact CG-ND2 3.46Å; E12-N16 VanDerWaalsContact O-CB 3.25Å; E12-N16 WeakPolarHBondContact O-CB 3.42Å; E12-N16 PolarHBondContact O-N 3Å; E12-N16 PolarHBondContact OE1-ND2 3.08Å; I14-N16 PolarHBondContact O-N 2.96Å; N16-K20 WeakPolarHBondContact OD1-CD 3.4Å; N16-K20 PolarHBondContact OD1-NZ 3.11Å; N16-S21 PolarHBondContact O-N 3.21Å
17G91.4Very high93.3Very high35 Ų3550.8 Ų50.836%0.36129%0.29SS..Iπ-helixtrans-78.2-26.4-17400000114.7K13 S21 F104K13-G17 WeakPolarHBondContact O-CA 3.47Å; K13-G17 PolarHBondContact O-N 2.8Å; G17-S21 WeakPolarHBondContact O-CB 3.39Å; G17-S21 PolarHBondContact O-OG 3.33Å; G17-S21 VanDerWaalsContact O-OG 3.06Å; G17-F104 WeakPolarHBondContact O-CE1 3.1Å
18V95Very high93.4Very high0 Ų056 Ų560%031%0.309CS..Iπ-helixtrans-108.3-71.9178.8-175.50000109.8I14 S21 I74 L76 F104 I132I14-V18 HydrophobicContact CG2-CB 4.49Å; I14-V18 WeakPolarHBondContact O-CA 3.43Å; I14-V18 WeakPolarHBondContact O-CB 3.28Å; I14-V18 PolarHBondContact O-N 3.28Å; V18-S21 PolarHBondContact O-N 2.96Å; V18-S21 PolarHBondContact O-OG 3.43Å; V18-I74 HydrophobicContact CG1-CG2 3.82Å; V18-L76 HydrophobicContact CG2-CD1 4.46Å; V18-F104 HydrophobicContact CB-CD1 4.36Å; V18-F104 HydrophobicContact CB-CE1 4.47Å; V18-F104 HydrophobicContact CB-CG 4.43Å; V18-F104 HydrophobicContact CG1-CB 4.27Å; V18-F104 HydrophobicContact CG1-CD1 4.18Å; V18-F104 HydrophobicContact CG1-CD2 3.65Å; V18-F104 HydrophobicContact CG1-CE1 4.41Å; V18-F104 HydrophobicContact CG1-CE2 3.9Å; V18-F104 HydrophobicContact CG1-CG 3.78Å; V18-F104 HydrophobicContact CG1-CZ 4.28Å; V18-F104 HydrophobicContact CG2-CB 4.35Å; V18-F104 HydrophobicContact CG2-CD1 3.91Å; V18-F104 HydrophobicContact CG2-CE1 4.37Å; V18-F104 HydrophobicContact CG2-CG 4.12Å; V18-I132 HydrophobicContact CG2-CG2 3.65Å
19I94.5Very high93.6Very high1 Ų153.7 Ų53.71%0.00529%0.289CS..Iπ-helixtrans-66.9-55.9-164.3-51.7-60.1000111.9I14 L15 S21 V22 K23 L31 E53 V55I14-I19 PolarHBondContact O-N 3.26Å; L15-I19 HydrophobicContact CD2-CG1 4.46Å; L15-I19 PolarHBondContact O-N 3.32Å; I19-S21 VanDerWaalsContact C-N 3.28Å; I19-S21 PolarHBondContact O-N 2.96Å; I19-V22 WeakPolarHBondContact O-CG2 3.14Å; I19-V22 PolarHBondContact O-N 3.13Å; I19-K23 PolarHBondContact O-N 3.13Å; I19-L31 HydrophobicContact CD1-CD1 4.16Å; I19-L31 HydrophobicContact CD1-CD2 4.14Å; I19-E53 HydrophobicContact CG2-CB 3.62Å; I19-V55 HydrophobicContact CD1-CG2 4.36Å; I19-V55 HydrophobicContact CG2-CG2 3.95Å
20K94.4Very high93.7Very high85 Ų8552.3 Ų52.337%0.3728%0.281SS..G310 helixtrans-68-28.6179.9-69176.3-172.8165.40112.7L15 N16 V22 K23 E53L15-K20 WeakPolarHBondContact O-CB 3.26Å; L15-K20 WeakPolarHBondContact O-CG 3.44Å; L15-K20 PolarHBondContact O-N 3.16Å; N16-K20 WeakPolarHBondContact OD1-CD 3.4Å; N16-K20 PolarHBondContact OD1-NZ 3.11Å; K20-V22 PolarHBondContact O-N 2.95Å; K20-K23 WeakPolarHBondContact O-CB 3.25Å; K20-K23 PolarHBondContact O-N 2.97Å; K20-E53 VanDerWaalsContact CE-CD 3.42Å; K20-E53 WeakPolarHBondContact CE-OE1 3.48Å; K20-E53 HydrophobicContact CG-CB 4.48Å; K20-E53 HydrophobicContact CG-CG 4.17Å; K20-E53 IonicContact NZ-OE1 3.77Å
21S95.1Very high93.9Very high57 Ų5752.3 Ų52.340%0.39928%0.281SS..G310 helixtrans-63-24.1-179.783.60000113.6N16 G17 V18 I19N16-S21 PolarHBondContact O-N 3.21Å; G17-S21 WeakPolarHBondContact O-CB 3.39Å; G17-S21 PolarHBondContact O-OG 3.33Å; G17-S21 VanDerWaalsContact O-OG 3.06Å; V18-S21 PolarHBondContact O-N 2.96Å; V18-S21 PolarHBondContact O-OG 3.43Å; I19-S21 VanDerWaalsContact C-N 3.28Å; I19-S21 PolarHBondContact O-N 2.96Å
22V94.2Very high94.1Very high9 Ų952.2 Ų52.26%0.05528%0.279CS..G310 helixtrans-1144.5179.3-59.20000112.9I19 K20 K29 I74 H102 F104I19-V22 WeakPolarHBondContact O-CG2 3.14Å; I19-V22 PolarHBondContact O-N 3.13Å; K20-V22 PolarHBondContact O-N 2.95Å; V22-K29 HydrophobicContact CG2-CD 4.21Å; V22-K29 WeakPolarHBondContact O-CE 3.24Å; V22-K29 PolarHBondContact O-NZ 3.14Å; V22-I74 HydrophobicContact CG2-CD1 3.38Å; V22-I74 HydrophobicContact CG2-CG1 3.78Å; V22-H102 HydrophobicContact CG1-CB 4.08Å; V22-H102 WeakPolarHBondContact CG1-ND1 3.5Å; V22-F104 HydrophobicContact CG1-CE2 3.9Å; V22-F104 HydrophobicContact CG1-CZ 3.74Å
23K92.9Very high94.3Very high81 Ų8146.3 Ų46.335%0.35225%0.252SS..  trans-65.2137176.7-174.7178.7-174.9177.80110I19 K20 E53I19-K23 PolarHBondContact O-N 3.13Å; K20-K23 WeakPolarHBondContact O-CB 3.25Å; K20-K23 PolarHBondContact O-N 2.97Å; K23-E53 WeakPolarHBondContact CD-O 3.22Å; K23-E53 WeakPolarHBondContact CD-OE2 3.4Å; K23-E53 IonicContact NZ-OE2 3.64Å; K23-E53 PolarHBondContact NZ-OE2 2.82Å
24K92.6Very high94.4Very high97 Ų9743.9 Ų43.942%0.42224%0.242SC..  trans-137.4130.4172.6-72.4178.3175.6178.60108.2G26 E27K24-G26 PolarHBondContact O-N 3.28Å; K24-E27 HydrophobicContact CB-CB 4.2Å; K24-E27 HydrophobicContact CB-CG 4.26Å; K24-E27 WeakPolarHBondContact CD-OE2 3.24Å; K24-E27 PolarHBondContact O-N 3.09Å; K24-E27 VanDerWaalsContact O-N 3.1Å
25D89.5Confident94.2Very high153 Ų15348.8 Ų48.882%0.81827%0.265SS*.THydrogen-bonded Turntrans-62.1129.7-176.1-65.9-24.6000110.8E27D25-E27 VanDerWaalsContact C-N 3.31Å; D25-E27 PolarHBondContact O-N 3.3Å
26G88.1Confident94.1Very high84 Ų8450.7 Ų50.787%0.86627%0.274SS*.THydrogen-bonded Turntrans82.2-1.9-177.700000115.5K24K24-G26 PolarHBondContact O-N 3.28Å
27E92.8Very high94.1Very high72 Ų7247.6 Ų47.634%0.33626%0.257SS..  trans-109130.2175.3-66.1-175.7176.200111.7K24 D25 K29K24-E27 HydrophobicContact CB-CB 4.2Å; K24-E27 HydrophobicContact CB-CG 4.26Å; K24-E27 WeakPolarHBondContact CD-OE2 3.24Å; K24-E27 PolarHBondContact O-N 3.09Å; K24-E27 VanDerWaalsContact O-N 3.1Å; D25-E27 VanDerWaalsContact C-N 3.31Å; D25-E27 PolarHBondContact O-N 3.3Å; E27-K29 IonicContact OE2-NZ 3.12Å; E27-K29 PolarHBondContact OE2-NZ 3.17Å
28W95.6Very high94.2Very high143 Ų14350.7 Ų50.754%0.54226%0.264SS..  trans-93147.1170.2-63.2101.1000111G54 T56 L71W28-G54 WeakPolarHBondContact CA-O 3.36Å; W28-T56 HydrophobicContact CB-CG2 4.46Å; W28-L71 HydrophobicContact CB-CD2 4.32Å
29K97.1Very high94.1Very high5 Ų554.4 Ų54.42%0.02228%0.278CS..EExtended strand (participates in β ladder)trans-127.2155.2176.5-64.8-173.2172.7680111.5V22 E27 G54 V55 T56 E72 I74V22-K29 HydrophobicContact CG2-CD 4.21Å; V22-K29 WeakPolarHBondContact O-CE 3.24Å; V22-K29 PolarHBondContact O-NZ 3.14Å; E27-K29 IonicContact OE2-NZ 3.12Å; E27-K29 PolarHBondContact OE2-NZ 3.17Å; K29-G54 PolarHBondContact N-O 3.44Å; K29-V55 WeakPolarHBondContact O-CA 3.11Å; K29-T56 PolarHBondContact O-N 2.83Å; K29-E72 VanDerWaalsContact CA-O 3.29Å; K29-E72 WeakPolarHBondContact CA-O 3.45Å; K29-E72 WeakPolarHBondContact CB-O 3.37Å; K29-E72 HydrophobicContact CD-CB 4.47Å; K29-E72 HydrophobicContact CG-CB 4.32Å; K29-I74 HydrophobicContact CB-CD1 4.06Å; K29-I74 HydrophobicContact CB-CG1 4.14Å; K29-I74 HydrophobicContact CD-CD1 4.04Å; K29-I74 HydrophobicContact CD-CG1 4.01Å
30V97.3Very high94.1Very high0 Ų054.5 Ų54.50%028%0.278CS..EExtended strand (participates in β ladder)trans-96.3132172.8-179.50000108.4I32 I57 E59 I68 L71 E72 A73 I74 Y98V30-I32 HydrophobicContact CG1-CD1 3.5Å; V30-I32 VanDerWaalsContact CG1-CD1 3.5Å; V30-I32 HydrophobicContact CG1-CG1 4.24Å; V30-I57 HydrophobicContact CB-CG2 4.23Å; V30-I57 HydrophobicContact CG1-CG2 3.72Å; V30-I57 HydrophobicContact CG2-CG2 3.94Å; V30-E59 HydrophobicContact CG1-CG 4.46Å; V30-I68 HydrophobicContact CG2-CD1 4.19Å; V30-L71 HydrophobicContact CG2-CB 4.18Å; V30-L71 HydrophobicContact CG2-CD1 3.96Å; V30-E72 PolarHBondContact N-O 3.17Å; V30-A73 CarbonylContact O-C 3.06Å; V30-A73 WeakPolarHBondContact O-CA 3.39Å; V30-I74 PolarHBondContact O-N 2.89Å; V30-Y98 HydrophobicContact CB-CD1 4.48Å; V30-Y98 HydrophobicContact CB-CE1 4.14Å; V30-Y98 HydrophobicContact CG1-CE1 4.02Å; V30-Y98 HydrophobicContact CG2-CD1 4.37Å; V30-Y98 HydrophobicContact CG2-CE1 4.14Å
31L97.9Very high94.1Very high0 Ų050.9 Ų50.90%026%0.263CS..EExtended strand (participates in β ladder)trans-99.6117.2174.5177.862000109.6I19 V33 L41 I50 V55 I57 V58 E59 I74 L76I19-L31 HydrophobicContact CD1-CD1 4.16Å; I19-L31 HydrophobicContact CD1-CD2 4.14Å; L31-V33 HydrophobicContact CD1-CG1 4.31Å; L31-V33 HydrophobicContact CD2-CG1 4.48Å; L31-V33 HydrophobicContact CG-CG1 4.09Å; L31-L41 HydrophobicContact CD2-CD2 3.65Å; L31-I50 HydrophobicContact CD2-CG2 3.98Å; L31-V55 HydrophobicContact CB-CG1 3.6Å; L31-V55 HydrophobicContact CB-CG2 4.42Å; L31-I57 PolarHBondContact N-O 3.24Å; L31-V58 HydrophobicContact CB-CG1 4.49Å; L31-V58 HydrophobicContact CB-CG2 4.22Å; L31-V58 HydrophobicContact CD2-CG1 4.24Å; L31-V58 HydrophobicContact CD2-CG2 4.05Å; L31-V58 HydrophobicContact CG-CG1 4.28Å; L31-V58 CarbonylContact O-C 3.54Å; L31-V58 VanDerWaalsContact O-CA 3.24Å; L31-V58 WeakPolarHBondContact O-CA 3.33Å; L31-E59 PolarHBondContact O-N 3.36Å; L31-I74 CarbonylContact C-O 3.57Å; L31-I74 HydrophobicContact CD1-CB 3.95Å; L31-I74 HydrophobicContact CD1-CG2 3.86Å; L31-L76 HydrophobicContact CD1-CB 4.21Å
32I98.1Very high94Very high0 Ų052 Ų520%027%0.271CS..EExtended strand (participates in β ladder)trans-105.1122.7178.4-52.8-56.5000108.7V30 E59 I61 A73 I74 Y75 L76 Y98V30-I32 HydrophobicContact CG1-CD1 3.5Å; V30-I32 VanDerWaalsContact CG1-CD1 3.5Å; V30-I32 HydrophobicContact CG1-CG1 4.24Å; I32-E59 WeakPolarHBondContact CA-O 3.2Å; I32-E59 HydrophobicContact CD1-CB 3.82Å; I32-E59 HydrophobicContact CD1-CG 4.41Å; I32-I61 HydrophobicContact CG2-CB 3.62Å; I32-I61 HydrophobicContact CG2-CD1 4.22Å; I32-I61 HydrophobicContact CG2-CG1 3.82Å; I32-A73 HydrophobicContact CG1-CB 4.25Å; I32-I74 PolarHBondContact N-O 2.83Å; I32-Y75 HydrophobicContact CB-CD1 3.71Å; I32-Y75 HydrophobicContact CB-CE1 3.91Å; I32-Y75 HydrophobicContact CB-CG 4.25Å; I32-Y75 HydrophobicContact CG1-CD1 4.25Å; I32-Y75 HydrophobicContact CG1-CE1 4.01Å; I32-Y75 HydrophobicContact CG2-CD1 3.66Å; I32-Y75 HydrophobicContact CG2-CE1 3.71Å; I32-Y75 CarbonylContact O-C 3.51Å; I32-Y75 WeakPolarHBondContact O-CA 3.47Å; I32-L76 PolarHBondContact O-N 3.48Å; I32-Y98 HydrophobicContact CD1-CE2 4.31Å; I32-Y98 VanDerWaalsContact CD1-OH 3.23Å; I32-Y98 WeakPolarHBondContact CD1-OH 3.42Å; I32-Y98 HydrophobicContact CG1-CE2 4.28Å
33V97.6Very high93.9Very high1 Ų152.8 Ų52.81%0.00628%0.276CS..EExtended strand (participates in β ladder)trans-126.5154-179.1-68.70000110.6L31 M38 L41 V58 E59 D60 I61 L76L31-V33 HydrophobicContact CD1-CG1 4.31Å; L31-V33 HydrophobicContact CD2-CG1 4.48Å; L31-V33 HydrophobicContact CG-CG1 4.09Å; V33-M38 HydrophobicContact CB-CB 4.26Å; V33-M38 HydrophobicContact CG2-CB 3.78Å; V33-M38 HydrophobicContact CG2-CG 4.19Å; V33-L41 HydrophobicContact CG1-CD2 4.31Å; V33-V58 HydrophobicContact CG2-CG1 3.84Å; V33-E59 PolarHBondContact N-O 3.12Å; V33-D60 CarbonylContact O-C 3.17Å; V33-D60 VanDerWaalsContact O-CA 3.32Å; V33-D60 WeakPolarHBondContact O-CA 3.39Å; V33-I61 PolarHBondContact O-N 3.49Å; V33-L76 WeakPolarHBondContact CA-O 3.29Å; V33-L76 HydrophobicContact CG1-CB 4.19Å
34D95.6Very high93.9Very high5 Ų550.1 Ų50.13%0.02727%0.268CS..  trans-96.6-179.6162.966.718.2000110.9I36 S37 M38 I61 I77 S78 S83D34-I36 VanDerWaalsContact C-N 3.34Å; D34-I36 PolarHBondContact O-N 3.42Å; D34-I36 PolarHBondContact OD1-N 3.41Å; D34-S37 PolarHBondContact O-N 2.71Å; D34-S37 VanDerWaalsContact OD1-CB 3.31Å; D34-S37 WeakPolarHBondContact OD1-CB 3.23Å; D34-S37 PolarHBondContact OD1-N 3.06Å; D34-S37 PolarHBondContact OD1-OG 3.27Å; D34-M38 WeakPolarHBondContact O-CB 3.34Å; D34-M38 PolarHBondContact O-N 3.49Å; D34-I61 HydrophobicContact CB-CG2 3.74Å; D34-I77 HydrophobicContact CB-CG2 4.41Å; D34-S78 VanDerWaalsContact OD2-CB 3.28Å; D34-S78 WeakPolarHBondContact OD2-CB 3.47Å; D34-S78 PolarHBondContact OD2-N 3.46Å; D34-S78 PolarHBondContact OD2-OG 2.77Å; D34-S83 PolarHBondContact OD2-OG 2.95Å
35H91.8Very high93.8Very high104 Ų10446 Ų4648%0.48125%0.252SS..Hα-helixtrans-56.3-45.9-176.2-178.1-95.2000112.8R39H35-R39 WeakPolarHBondContact O-CG 3.27Å; H35-R39 PolarHBondContact O-N 3.17Å; H35-R39 VanDerWaalsContact O-N 3.13Å
36I90.5Very high93.9Very high67 Ų6743 Ų4334%0.34423%0.231SC..Hα-helixtrans-68.9-50.8-177.9-64.1173.8000109.8D34 M38 R39 I40D34-I36 VanDerWaalsContact C-N 3.34Å; D34-I36 PolarHBondContact O-N 3.42Å; D34-I36 PolarHBondContact OD1-N 3.41Å; I36-M38 VanDerWaalsContact C-N 3.27Å; I36-M38 PolarHBondContact O-N 3.11Å; I36-R39 WeakPolarHBondContact O-CB 3.37Å; I36-R39 PolarHBondContact O-N 3.08Å; I36-I40 HydrophobicContact CG2-CD1 4.02Å; I36-I40 HydrophobicContact CG2-CG1 4.46Å; I36-I40 WeakPolarHBondContact O-CG1 3.47Å; I36-I40 PolarHBondContact O-N 3.22Å
37S94.3Very high94Very high0 Ų043.6 Ų43.60%021%0.212CC..Hα-helixtrans-58.7-38.6177.6-69.90000112.9D34 R39 I40 L41 L76 I77 T106D34-S37 PolarHBondContact O-N 2.71Å; D34-S37 VanDerWaalsContact OD1-CB 3.31Å; D34-S37 WeakPolarHBondContact OD1-CB 3.23Å; D34-S37 PolarHBondContact OD1-N 3.06Å; D34-S37 PolarHBondContact OD1-OG 3.27Å; S37-R39 VanDerWaalsContact C-N 3.32Å; S37-R39 PolarHBondContact O-N 2.78Å; S37-I40 PolarHBondContact O-N 3.2Å; S37-L41 VanDerWaalsContact O-CB 3.26Å; S37-L41 WeakPolarHBondContact O-CB 3.41Å; S37-L41 PolarHBondContact O-N 3.38Å; S37-L76 WeakPolarHBondContact CB-O 3.39Å; S37-L76 PolarHBondContact OG-O 2.94Å; S37-I77 WeakPolarHBondContact OG-CA 3.49Å; S37-T106 WeakPolarHBondContact OG-CG2 3.42Å
38M94.4Very high94Very high100 Ų10043.7 Ų43.749%0.49322%0.221SC..Hα-helixtrans-61.7-42.8176-175.8174.1-178.300110.8V33 D34 I36 L41 S42V33-M38 HydrophobicContact CB-CB 4.26Å; V33-M38 HydrophobicContact CG2-CB 3.78Å; V33-M38 HydrophobicContact CG2-CG 4.19Å; D34-M38 WeakPolarHBondContact O-CB 3.34Å; D34-M38 PolarHBondContact O-N 3.49Å; I36-M38 VanDerWaalsContact C-N 3.27Å; I36-M38 PolarHBondContact O-N 3.11Å; M38-L41 PolarHBondContact O-N 2.9Å; M38-S42 VanDerWaalsContact O-CB 3.28Å; M38-S42 WeakPolarHBondContact O-CB 3.24Å; M38-S42 PolarHBondContact O-N 3.3Å; M38-S42 PolarHBondContact O-OG 3.4Å
39R93.1Very high93.8Very high78 Ų7840 Ų4029%0.29421%0.212SC..Hα-helixtrans-66.4-43.2177.1-72.4-171.567.2-179.4-4.7112.4H35 I36 S37 S42 S43 L137 D147H35-R39 WeakPolarHBondContact O-CG 3.27Å; H35-R39 PolarHBondContact O-N 3.17Å; H35-R39 VanDerWaalsContact O-N 3.13Å; I36-R39 WeakPolarHBondContact O-CB 3.37Å; I36-R39 PolarHBondContact O-N 3.08Å; S37-R39 VanDerWaalsContact C-N 3.32Å; S37-R39 PolarHBondContact O-N 2.78Å; R39-S42 WeakPolarHBondContact CA-OG 3.48Å; R39-S42 PolarHBondContact O-N 3.1Å; R39-S42 PolarHBondContact O-OG 3.21Å; R39-S43 WeakPolarHBondContact O-CB 3.49Å; R39-S43 PolarHBondContact O-N 3.06Å; R39-S43 PolarHBondContact O-OG 2.86Å; R39-L137 HydrophobicContact CB-CD1 4.42Å; R39-L137 HydrophobicContact CB-CD2 3.62Å; R39-D147 VanDerWaalsContact CZ-CG 3.46Å; R39-D147 IonicContact CZ-OD1 3.05Å; R39-D147 IonicContact CZ-OD2 3.37Å; R39-D147 VanDerWaalsContact CZ-OD2 3.23Å; R39-D147 IonicContact NE-OD2 3.67Å; R39-D147 IonicContact NH1-OD1 3.72Å; R39-D147 PolarHBondContact NH1-OD1 3.17Å; R39-D147 IonicContact NH1-OD2 2.8Å; R39-D147 PolarHBondContact NH1-OD2 2.92Å; R39-D147 IonicContact NH2-OD1 3.38Å; R39-D147 PolarHBondContact NH2-OD1 3.46Å
40I94.4Very high93.7Very high4 Ų439.9 Ų39.92%0.02121%0.212CC..Hα-helixtrans-56.8-52.8174-62.9169.5000109.3V10 I14 I36 S37 S42 S43 C44 T106 V134 L137V10-I40 HydrophobicContact CG1-CG2 4.08Å; I14-I40 HydrophobicContact CD1-CG2 3.68Å; I36-I40 HydrophobicContact CG2-CD1 4.02Å; I36-I40 HydrophobicContact CG2-CG1 4.46Å; I36-I40 WeakPolarHBondContact O-CG1 3.47Å; I36-I40 PolarHBondContact O-N 3.22Å; S37-I40 PolarHBondContact O-N 3.2Å; I40-S42 PolarHBondContact O-N 2.93Å; I40-S43 WeakPolarHBondContact O-CB 3.32Å; I40-S43 PolarHBondContact O-N 3.41Å; I40-S43 VanDerWaalsContact O-N 3.15Å; I40-C44 PolarHBondContact O-SG 2.77Å; I40-T106 HydrophobicContact CD1-CG2 4.24Å; I40-V134 WeakPolarHBondContact CD1-O 3.42Å; I40-V134 HydrophobicContact CG2-CG1 4.04Å; I40-L137 HydrophobicContact CB-CD2 4.25Å; I40-L137 HydrophobicContact CG1-CD2 3.58Å; I40-L137 VanDerWaalsContact N-CD2 3.34Å
41L94Very high93.5Very high8 Ų844 Ų444%0.04223%0.232CC..Hα-helixtrans-59.7-47.5-178.9-175.868.6000112.1I14 L31 V33 S37 M38 S43 C44 C45 I50I14-L41 HydrophobicContact CG2-CD1 3.84Å; L31-L41 HydrophobicContact CD2-CD2 3.65Å; V33-L41 HydrophobicContact CG1-CD2 4.31Å; S37-L41 VanDerWaalsContact O-CB 3.26Å; S37-L41 WeakPolarHBondContact O-CB 3.41Å; S37-L41 PolarHBondContact O-N 3.38Å; M38-L41 PolarHBondContact O-N 2.9Å; L41-S43 PolarHBondContact O-N 3.45Å; L41-C44 PolarHBondContact O-N 3.5Å; L41-C45 HydrophobicContact CD1-CB 3.92Å; L41-C45 WeakPolarHBondContact O-CB 3.46Å; L41-C45 PolarHBondContact O-N 3.21Å; L41-I50 HydrophobicContact CD1-CD1 3.79Å; L41-I50 HydrophobicContact CD1-CG1 4.32Å; L41-I50 HydrophobicContact CD2-CD1 3.8Å; L41-I50 HydrophobicContact CG-CD1 3.8Å
42S92.4Very high93.2Very high82 Ų8247.4 Ų47.457%0.57326%0.26SS*.Hα-helixtrans-64.2-24.7179.668.10000113.1M38 R39 I40M38-S42 VanDerWaalsContact O-CB 3.28Å; M38-S42 WeakPolarHBondContact O-CB 3.24Å; M38-S42 PolarHBondContact O-N 3.3Å; M38-S42 PolarHBondContact O-OG 3.4Å; R39-S42 WeakPolarHBondContact CA-OG 3.48Å; R39-S42 PolarHBondContact O-N 3.1Å; R39-S42 PolarHBondContact O-OG 3.21Å; I40-S42 PolarHBondContact O-N 2.93Å
43S91.6Very high93Very high24 Ų2449.5 Ų49.517%0.16827%0.27CS..Hα-helixtrans-80-18.1-178.1-62.80000113.1K7 R39 I40 L41K7-S43 VanDerWaalsContact CD-O 3.26Å; K7-S43 WeakPolarHBondContact CD-O 3.32Å; K7-S43 WeakPolarHBondContact CG-O 3.45Å; K7-S43 PolarHBondContact NZ-O 3.34Å; R39-S43 WeakPolarHBondContact O-CB 3.49Å; R39-S43 PolarHBondContact O-N 3.06Å; R39-S43 PolarHBondContact O-OG 2.86Å; I40-S43 WeakPolarHBondContact O-CB 3.32Å; I40-S43 PolarHBondContact O-N 3.41Å; I40-S43 VanDerWaalsContact O-N 3.15Å; L41-S43 PolarHBondContact O-N 3.45Å
44C92.5Very high92.8Very high26 Ų2650.1 Ų50.118%0.17628%0.276CS..Hα-helixtrans-135-9.4-173.663.70000115.6K7 V10 I40 L41 P138K7-C44 HydrophobicContact CB-CB 4.46Å; K7-C44 VanDerWaalsContact O-CB 3.26Å; K7-C44 WeakPolarHBondContact O-CB 3.48Å; V10-C44 HydrophobicContact CB-CB 4.45Å; V10-C44 HydrophobicContact CG1-CB 4.44Å; I40-C44 PolarHBondContact O-SG 2.77Å; L41-C44 PolarHBondContact O-N 3.5Å; C44-P138 HydrophobicContact CB-CG 4.1Å
45C91.6Very high92.8Very high11 Ų1150 Ų507%0.07428%0.275CS..  trans-134134-177.3-61.10000111.6L41 I50L41-C45 HydrophobicContact CD1-CB 3.92Å; L41-C45 WeakPolarHBondContact O-CB 3.46Å; L41-C45 PolarHBondContact O-N 3.21Å; C45-I50 HydrophobicContact CB-CD1 4.05Å; C45-I50 HydrophobicContact CB-CG1 4.17Å
46K91.1Very high92.9Very high89 Ų8948.1 Ų48.139%0.38727%0.272SS..  trans-80.2151.5171.3-64.8173.4172.2153.10110.4S48 D49 I50 D283K46-S48 WeakPolarHBondContact CB-OG 3.36Å; K46-S48 PolarHBondContact O-N 2.88Å; K46-D49 WeakPolarHBondContact CB-OD2 3.27Å; K46-D49 PolarHBondContact N-OD2 3.46Å; K46-D49 WeakPolarHBondContact O-CB 3.27Å; K46-D49 PolarHBondContact O-N 3.41Å; K46-I50 PolarHBondContact O-N 3.36Å; K46-D283 WeakPolarHBondContact CE-OD1 3.46Å; K46-D283 WeakPolarHBondContact CE-OD2 3.37Å; K46-D283 VanDerWaalsContact NZ-CG 3.3Å; K46-D283 IonicContact NZ-OD1 3.9Å; K46-D283 PolarHBondContact NZ-OD1 3.24Å; K46-D283 IonicContact NZ-OD2 3.73Å
47M90.9Very high93.1Very high96 Ų9648.1 Ų48.147%0.47327%0.272SS..Hα-helixtrans-57.7-35173.4-169.9617900111.9D49 I50 M51 V58M47-D49 VanDerWaalsContact C-N 3.3Å; M47-D49 PolarHBondContact O-N 3Å; M47-I50 PolarHBondContact O-N 3.16Å; M47-M51 HydrophobicContact CG-CE 3.64Å; M47-M51 HydrophobicContact CG-CG 4.27Å; M47-M51 HydrophobicContact CG-SD 3.91Å; M47-M51 WeakPolarHBondContact O-CB 2.93Å; M47-M51 VanDerWaalsContact O-CG 3.29Å; M47-M51 WeakPolarHBondContact O-CG 3.29Å; M47-M51 PolarHBondContact O-N 3.25Å; M47-M51 HydrophobicContact SD-CE 3.88Å; M47-M51 HydrophobicContact SD-CG 4.38Å; M47-V58 HydrophobicContact CE-CB 4.2Å; M47-V58 HydrophobicContact CE-CG2 3.81Å; M47-V58 HydrophobicContact SD-CG2 3.7Å
48S92.2Very high93.2Very high74 Ų7449.9 Ų49.952%0.51728%0.282SS..Hα-helixtrans-59.2-39.8174.252.20000112.9K46 A52K46-S48 WeakPolarHBondContact CB-OG 3.36Å; K46-S48 PolarHBondContact O-N 2.88Å; S48-A52 VanDerWaalsContact O-CB 3.28Å; S48-A52 WeakPolarHBondContact O-CB 3.14Å; S48-A52 PolarHBondContact O-N 3.31Å
49D91.9Very high93.3Very high65 Ų6546.8 Ų46.835%0.34827%0.267SS..Hα-helixtrans-72-38.6-175.9-52.4-20.7000110L15 K46 M47 E53L15-D49 HydrophobicContact CD1-CB 4.43Å; L15-D49 HydrophobicContact CD2-CB 4.43Å; K46-D49 WeakPolarHBondContact CB-OD2 3.27Å; K46-D49 PolarHBondContact N-OD2 3.46Å; K46-D49 WeakPolarHBondContact O-CB 3.27Å; K46-D49 PolarHBondContact O-N 3.41Å; M47-D49 VanDerWaalsContact C-N 3.3Å; M47-D49 PolarHBondContact O-N 3Å; D49-E53 WeakPolarHBondContact O-CG 3.27Å
50I93.9Very high93.4Very high4 Ų444.6 Ų44.62%0.02126%0.261CS..Hα-helixtrans-69.1-45.3177.5-61.5157.7000110.5L31 L41 C45 K46 M47 E53 V55L31-I50 HydrophobicContact CD2-CG2 3.98Å; L41-I50 HydrophobicContact CD1-CD1 3.79Å; L41-I50 HydrophobicContact CD1-CG1 4.32Å; L41-I50 HydrophobicContact CD2-CD1 3.8Å; L41-I50 HydrophobicContact CG-CD1 3.8Å; C45-I50 HydrophobicContact CB-CD1 4.05Å; C45-I50 HydrophobicContact CB-CG1 4.17Å; K46-I50 PolarHBondContact O-N 3.36Å; M47-I50 PolarHBondContact O-N 3.16Å; I50-E53 PolarHBondContact O-N 3.06Å; I50-V55 HydrophobicContact CG2-CB 3.66Å; I50-V55 HydrophobicContact CG2-CG1 3.82Å; I50-V55 HydrophobicContact CG2-CG2 3.76Å
51M93.2Very high93.5Very high86 Ų8644.6 Ų44.642%0.42426%0.261SS..Hα-helixtrans-66.7-37.7-179.5-73.2179.3170.300112.9M47 E53 G54 V55M47-M51 HydrophobicContact CG-CE 3.64Å; M47-M51 HydrophobicContact CG-CG 4.27Å; M47-M51 HydrophobicContact CG-SD 3.91Å; M47-M51 WeakPolarHBondContact O-CB 2.93Å; M47-M51 VanDerWaalsContact O-CG 3.29Å; M47-M51 WeakPolarHBondContact O-CG 3.29Å; M47-M51 PolarHBondContact O-N 3.25Å; M47-M51 HydrophobicContact SD-CE 3.88Å; M47-M51 HydrophobicContact SD-CG 4.38Å; M51-E53 PolarHBondContact O-N 2.99Å; M51-E53 VanDerWaalsContact O-N 3.12Å; M51-G54 PolarHBondContact O-N 2.69Å; M51-V55 WeakPolarHBondContact CA-O 3.32Å
52A92.3Very high93.5Very high72 Ų7247 Ų4760%0.59527%0.274SS*.Hα-helixtrans-60.7-20.8175.800000113S48S48-A52 VanDerWaalsContact O-CB 3.28Å; S48-A52 WeakPolarHBondContact O-CB 3.14Å; S48-A52 PolarHBondContact O-N 3.31Å
53E93.8Very high93.5Very high44 Ų4449.8 Ų49.821%0.20628%0.275CS..THydrogen-bonded Turntrans-100.517.7-177.6-59.2-62.917500114I19 K20 K23 D49 I50 M51I19-E53 HydrophobicContact CG2-CB 3.62Å; K20-E53 VanDerWaalsContact CE-CD 3.42Å; K20-E53 WeakPolarHBondContact CE-OE1 3.48Å; K20-E53 HydrophobicContact CG-CB 4.48Å; K20-E53 HydrophobicContact CG-CG 4.17Å; K20-E53 IonicContact NZ-OE1 3.77Å; K23-E53 WeakPolarHBondContact CD-O 3.22Å; K23-E53 WeakPolarHBondContact CD-OE2 3.4Å; K23-E53 IonicContact NZ-OE2 3.64Å; K23-E53 PolarHBondContact NZ-OE2 2.82Å; D49-E53 WeakPolarHBondContact O-CG 3.27Å; I50-E53 PolarHBondContact O-N 3.06Å; M51-E53 PolarHBondContact O-N 2.99Å; M51-E53 VanDerWaalsContact O-N 3.12Å
54G92.4Very high93.2Very high13 Ų1355.4 Ų55.413%0.13431%0.313CS..THydrogen-bonded Turntrans94.914.717000000115.1W28 K29 M51W28-G54 WeakPolarHBondContact CA-O 3.36Å; K29-G54 PolarHBondContact N-O 3.44Å; M51-G54 PolarHBondContact O-N 2.69Å
55V96.2Very high93.2Very high2 Ų256 Ų561%0.01231%0.312CS..EExtended strand (participates in β ladder)trans-92.5127.6169.9176.80000109.5I19 K29 L31 I50 M51 V58 I74I19-V55 HydrophobicContact CD1-CG2 4.36Å; I19-V55 HydrophobicContact CG2-CG2 3.95Å; K29-V55 WeakPolarHBondContact O-CA 3.11Å; L31-V55 HydrophobicContact CB-CG1 3.6Å; L31-V55 HydrophobicContact CB-CG2 4.42Å; I50-V55 HydrophobicContact CG2-CB 3.66Å; I50-V55 HydrophobicContact CG2-CG1 3.82Å; I50-V55 HydrophobicContact CG2-CG2 3.76Å; M51-V55 WeakPolarHBondContact CA-O 3.32Å; V55-V58 HydrophobicContact CG1-CG2 4.28Å; V55-I74 HydrophobicContact CG2-CD1 4.28Å
56T94.6Very high93Very high66 Ų6663 Ų6341%0.40534%0.343SS..EExtended strand (participates in β ladder)trans-94.9-31.5-179.7-1700000113.5W28 K29 L71W28-T56 HydrophobicContact CB-CG2 4.46Å; K29-T56 PolarHBondContact O-N 2.83Å; T56-L71 HydrophobicContact CG2-CD1 3.93Å
57I94.9Very high93Very high67 Ų6763.3 Ų63.334%0.34435%0.354SS..EExtended strand (participates in β ladder)trans-152145.4-175.8-168171.9000109.4V30 L31 E59V30-I57 HydrophobicContact CB-CG2 4.23Å; V30-I57 HydrophobicContact CG1-CG2 3.72Å; V30-I57 HydrophobicContact CG2-CG2 3.94Å; L31-I57 PolarHBondContact N-O 3.24Å; I57-E59 HydrophobicContact CD1-CG 4.19Å; I57-E59 HydrophobicContact CG1-CG 4.13Å; I57-E59 HydrophobicContact CG2-CG 4.43Å
58V96.2Very high93.1Very high37 Ų3760.9 Ų60.922%0.22434%0.343CS..EExtended strand (participates in β ladder)trans-113.2124.4174.1-172.90000108L31 V33 M47 V55L31-V58 HydrophobicContact CB-CG1 4.49Å; L31-V58 HydrophobicContact CB-CG2 4.22Å; L31-V58 HydrophobicContact CD2-CG1 4.24Å; L31-V58 HydrophobicContact CD2-CG2 4.05Å; L31-V58 HydrophobicContact CG-CG1 4.28Å; L31-V58 CarbonylContact O-C 3.54Å; L31-V58 VanDerWaalsContact O-CA 3.24Å; L31-V58 WeakPolarHBondContact O-CA 3.33Å; V33-V58 HydrophobicContact CG2-CG1 3.84Å; M47-V58 HydrophobicContact CE-CB 4.2Å; M47-V58 HydrophobicContact CE-CG2 3.81Å; M47-V58 HydrophobicContact SD-CG2 3.7Å; V55-V58 HydrophobicContact CG1-CG2 4.28Å
59E96Very high93Very high35 Ų3560.3 Ų60.316%0.16434%0.339CS..EExtended strand (participates in β ladder)trans-126.4152.2-178.6-55.3-170.999.300112.1V30 L31 I32 V33 I57 R65 Y98V30-E59 HydrophobicContact CG1-CG 4.46Å; L31-E59 PolarHBondContact O-N 3.36Å; I32-E59 WeakPolarHBondContact CA-O 3.2Å; I32-E59 HydrophobicContact CD1-CB 3.82Å; I32-E59 HydrophobicContact CD1-CG 4.41Å; V33-E59 PolarHBondContact N-O 3.12Å; I57-E59 HydrophobicContact CD1-CG 4.19Å; I57-E59 HydrophobicContact CG1-CG 4.13Å; I57-E59 HydrophobicContact CG2-CG 4.43Å; E59-R65 HydrophobicContact CB-CG 4.04Å; E59-R65 HydrophobicContact CG-CG 4.47Å; E59-R65 WeakPolarHBondContact OE1-CG 3.3Å; E59-Y98 PolarHBondContact OE2-OH 2.89Å
60D95.9Very high93.1Very high32 Ų3261.6 Ų61.617%0.17135%0.353CS..EExtended strand (participates in β ladder)trans-85.6124.6174.4-178-14.1000110.1V33 N62 K63 R65V33-D60 CarbonylContact O-C 3.17Å; V33-D60 VanDerWaalsContact O-CA 3.32Å; V33-D60 WeakPolarHBondContact O-CA 3.39Å; D60-N62 PolarHBondContact O-N 3.39Å; D60-N62 VanDerWaalsContact O-N 3.14Å; D60-N62 WeakPolarHBondContact OD1-CB 3.36Å; D60-N62 PolarHBondContact OD1-N 2.9Å; D60-N62 PolarHBondContact OD1-ND2 2.73Å; D60-N62 VanDerWaalsContact OD1-ND2 3.09Å; D60-K63 HydrophobicContact CB-CB 4.34Å; D60-K63 HydrophobicContact CB-CD 3.98Å; D60-K63 HydrophobicContact CB-CG 3.98Å; D60-K63 PolarHBondContact O-N 3.15Å; D60-K63 VanDerWaalsContact O-N 3.11Å; D60-R65 WeakPolarHBondContact O-CD 3.22Å; D60-R65 PolarHBondContact O-NE 2.97Å
61I96.3Very high93.1Very high4 Ų463.2 Ų63.22%0.02136%0.361CS..THydrogen-bonded Turntrans-58.5-28.2-179.4-161.3171.3000113.1I32 V33 D34 R65 Y75 I77 S83 A86 L87I32-I61 HydrophobicContact CG2-CB 3.62Å; I32-I61 HydrophobicContact CG2-CD1 4.22Å; I32-I61 HydrophobicContact CG2-CG1 3.82Å; V33-I61 PolarHBondContact O-N 3.49Å; D34-I61 HydrophobicContact CB-CG2 3.74Å; I61-R65 PolarHBondContact O-NH2 3.37Å; I61-R65 VanDerWaalsContact O-NH2 3.13Å; I61-Y75 HydrophobicContact CD1-CD1 4.03Å; I61-Y75 HydrophobicContact CD1-CE1 4.17Å; I61-I77 HydrophobicContact CD1-CD1 4.17Å; I61-I77 HydrophobicContact CD1-CG2 3.98Å; I61-S83 WeakPolarHBondContact CD1-O 3.49Å; I61-A86 HydrophobicContact CD1-CB 3.97Å; I61-A86 HydrophobicContact CG1-CB 3.72Å; I61-L87 HydrophobicContact CD1-CB 4.24Å
62N92.8Very high93.3Very high58 Ų5859.3 Ų59.331%0.3134%0.342SS..THydrogen-bonded Turntrans-86.1-7.6-176.4-57.3-73.2000113.4D60 K82D60-N62 PolarHBondContact O-N 3.39Å; D60-N62 VanDerWaalsContact O-N 3.14Å; D60-N62 WeakPolarHBondContact OD1-CB 3.36Å; D60-N62 PolarHBondContact OD1-N 2.9Å; D60-N62 PolarHBondContact OD1-ND2 2.73Å; D60-N62 VanDerWaalsContact OD1-ND2 3.09Å; N62-K82 WeakPolarHBondContact OD1-CD 3.29Å; N62-K82 WeakPolarHBondContact OD1-CE 3.4Å; N62-K82 WeakPolarHBondContact OD1-CG 3.31Å
63K92.4Very high93.6Very high141 Ų14155.9 Ų55.961%0.61331%0.314SS*.SBendtrans-95.3155.1176.3-66.1-176.5-174.3173.80110.5D60 R65D60-K63 HydrophobicContact CB-CB 4.34Å; D60-K63 HydrophobicContact CB-CD 3.98Å; D60-K63 HydrophobicContact CB-CG 3.98Å; D60-K63 PolarHBondContact O-N 3.15Å; D60-K63 VanDerWaalsContact O-N 3.11Å; K63-R65 PolarHBondContact O-N 3.27Å; K63-R65 PolarHBondContact O-NE 2.86Å
64C86.7Confident93.8Very high142 Ų14253.9 Ų53.996%0.95930%0.304SS*.  trans-66.9123.9168.8-65.30000109
65R91.5Very high94.1Very high39 Ų3953.3 Ų53.315%0.14730%0.298CS..  trans-118.6151.6-175.1-68.3165.8-78.6140.32.4110.1E59 D60 I61 K63 D90 Y98E59-R65 HydrophobicContact CB-CG 4.04Å; E59-R65 HydrophobicContact CG-CG 4.47Å; E59-R65 WeakPolarHBondContact OE1-CG 3.3Å; D60-R65 WeakPolarHBondContact O-CD 3.22Å; D60-R65 PolarHBondContact O-NE 2.97Å; I61-R65 PolarHBondContact O-NH2 3.37Å; I61-R65 VanDerWaalsContact O-NH2 3.13Å; K63-R65 PolarHBondContact O-N 3.27Å; K63-R65 PolarHBondContact O-NE 2.86Å; R65-D90 IonicContact CZ-OD1 2.79Å; R65-D90 IonicContact CZ-OD2 3.79Å; R65-D90 IonicContact NH1-OD1 3.81Å; R65-D90 IonicContact NH1-OD2 3.56Å; R65-D90 PolarHBondContact NH1-OD2 3.27Å; R65-D90 VanDerWaalsContact NH2-CG 3.35Å; R65-D90 IonicContact NH2-OD1 2.57Å; R65-D90 PolarHBondContact NH2-OD1 3.47Å; R65-D90 IonicContact NH2-OD2 3.94Å; R65-D90 PolarHBondContact NH2-OD2 2.97Å; R65-Y98 PolarHBondContact NH1-OH 3.47Å
66E88.6Confident94.1Very high158 Ų15853.3 Ų53.374%0.73830%0.298SS*.  trans-77133.9175.6-68.5-172.4168.800110.3I68E66-I68 PolarHBondContact O-N 3.4Å
67P90.5Very high94.3Very high94 Ų9450.1 Ų50.161%0.6128%0.279SS*.  trans-64.3121.9175-24.835.7000112.7T97P67-T97 HydrophobicContact CB-CG2 4.38Å
68I92.8Very high94.2Very high46 Ų4647.7 Ų47.724%0.23627%0.267CS..BIsolated β-bridgetrans-118.768175.2-45.3177.4000109.2V30 E66 S70 L71 T97V30-I68 HydrophobicContact CG2-CD1 4.19Å; E66-I68 PolarHBondContact O-N 3.4Å; I68-S70 PolarHBondContact O-N 3.39Å; I68-L71 HydrophobicContact CG2-CB 4.06Å; I68-L71 HydrophobicContact CG2-CD1 3.86Å; I68-L71 HydrophobicContact CG2-CG 3.72Å; I68-L71 PolarHBondContact O-N 2.86Å; I68-L71 VanDerWaalsContact O-N 3.08Å; I68-T97 CarbonylContact C-O 3.53Å; I68-T97 PolarHBondContact N-O 2.9Å
69S90.9Very high94.1Very high62 Ų6247 Ų4743%0.43426%0.263SS..THydrogen-bonded Turntrans-63.7-9.6-174.1-460000114.5F96 T97 K99S69-F96 WeakPolarHBondContact CB-O 3.25Å; S69-F96 PolarHBondContact OG-O 3.37Å; S69-T97 PolarHBondContact N-O 3.12Å; S69-K99 WeakPolarHBondContact O-CB 3.12Å
70S92.6Very high93.9Very high91 Ų9147.2 Ų47.264%0.63627%0.269SS*.THydrogen-bonded Turntrans-82.4-23.8175.756.70000113.7I68I68-S70 PolarHBondContact O-N 3.39Å
71L95.6Very high93.9Very high38 Ų3853 Ų5320%0.19929%0.293CS..SBendtrans-104.7156-175.8-60.4-173.1000112.2W28 V30 T56 I68 K99W28-L71 HydrophobicContact CB-CD2 4.32Å; V30-L71 HydrophobicContact CG2-CB 4.18Å; V30-L71 HydrophobicContact CG2-CD1 3.96Å; T56-L71 HydrophobicContact CG2-CD1 3.93Å; I68-L71 HydrophobicContact CG2-CB 4.06Å; I68-L71 HydrophobicContact CG2-CD1 3.86Å; I68-L71 HydrophobicContact CG2-CG 3.72Å; I68-L71 PolarHBondContact O-N 2.86Å; I68-L71 VanDerWaalsContact O-N 3.08Å; L71-K99 VanDerWaalsContact O-CB 3.26Å; L71-K99 WeakPolarHBondContact O-CB 3.37Å; L71-K99 PolarHBondContact O-N 3.25Å
72E96.8Very high93.8Very high5 Ų559.8 Ų59.82%0.02332%0.322CS..EExtended strand (participates in β ladder)trans-91.3146.6172.4-57.7-177.1-175.600109.7K29 V30 K99 A100 H102 K127K29-E72 VanDerWaalsContact CA-O 3.29Å; K29-E72 WeakPolarHBondContact CA-O 3.45Å; K29-E72 WeakPolarHBondContact CB-O 3.37Å; K29-E72 HydrophobicContact CD-CB 4.47Å; K29-E72 HydrophobicContact CG-CB 4.32Å; V30-E72 PolarHBondContact N-O 3.17Å; E72-K99 HydrophobicContact CG-CB 4.14Å; E72-K99 HydrophobicContact CG-CD 4.1Å; E72-K99 HydrophobicContact CG-CG 4.42Å; E72-K99 IonicContact OE1-NZ 3.45Å; E72-A100 HydrophobicContact CB-CB 4.45Å; E72-A100 HydrophobicContact CG-CB 4Å; E72-H102 IonicContact OE2-NE2 2.71Å; E72-H102 PolarHBondContact OE2-NE2 3.04Å; E72-K127 IonicContact OE1-NZ 3.93Å; E72-K127 PolarHBondContact OE1-NZ 3.17Å; E72-K127 IonicContact OE2-NZ 2.74Å; E72-K127 PolarHBondContact OE2-NZ 2.79Å
73A97.6Very high94Very high0 Ų057.1 Ų57.10%031%0.308CS..EExtended strand (participates in β ladder)trans-110.5136.9-17800000111.8V30 I32 Y75 Y98 A100 H102V30-A73 CarbonylContact O-C 3.06Å; V30-A73 WeakPolarHBondContact O-CA 3.39Å; I32-A73 HydrophobicContact CG1-CB 4.25Å; A73-Y75 HydrophobicContact CB-CD2 4.18Å; A73-Y75 HydrophobicContact CB-CE2 3.6Å; A73-Y98 HydrophobicContact CB-CD1 3.95Å; A73-Y98 HydrophobicContact CB-CD2 3.64Å; A73-Y98 HydrophobicContact CB-CE1 4.44Å; A73-Y98 HydrophobicContact CB-CE2 4.16Å; A73-Y98 HydrophobicContact CB-CG 3.52Å; A73-A100 PolarHBondContact N-O 3.31Å; A73-H102 PolarHBondContact O-N 2.99Å
74I98.3Very high94.1Very high2 Ų250.4 Ų50.41%0.0128%0.279CS..EExtended strand (participates in β ladder)trans-100.1113.2171-52.4174.1000106.5V18 V22 K29 V30 L31 I32 V55 H102 F104V18-I74 HydrophobicContact CG1-CG2 3.82Å; V22-I74 HydrophobicContact CG2-CD1 3.38Å; V22-I74 HydrophobicContact CG2-CG1 3.78Å; K29-I74 HydrophobicContact CB-CD1 4.06Å; K29-I74 HydrophobicContact CB-CG1 4.14Å; K29-I74 HydrophobicContact CD-CD1 4.04Å; K29-I74 HydrophobicContact CD-CG1 4.01Å; V30-I74 PolarHBondContact O-N 2.89Å; L31-I74 CarbonylContact C-O 3.57Å; L31-I74 HydrophobicContact CD1-CB 3.95Å; L31-I74 HydrophobicContact CD1-CG2 3.86Å; I32-I74 PolarHBondContact N-O 2.83Å; V55-I74 HydrophobicContact CG2-CD1 4.28Å; I74-H102 CarbonylContact C-O 3.52Å; I74-H102 WeakPolarHBondContact CA-O 3.22Å; I74-F104 HydrophobicContact CG2-CD2 3.9Å; I74-F104 HydrophobicContact CG2-CE2 4Å
75Y98.3Very high94.5Very high0 Ų047.8 Ų47.80%025%0.252CS..EExtended strand (participates in β ladder)trans-95.8106.6174.9-69.4-95.6000108.7I32 I61 A73 L87 D90 F91 Y98 A101 H102 F104I32-Y75 HydrophobicContact CB-CD1 3.71Å; I32-Y75 HydrophobicContact CB-CE1 3.91Å; I32-Y75 HydrophobicContact CB-CG 4.25Å; I32-Y75 HydrophobicContact CG1-CD1 4.25Å; I32-Y75 HydrophobicContact CG1-CE1 4.01Å; I32-Y75 HydrophobicContact CG2-CD1 3.66Å; I32-Y75 HydrophobicContact CG2-CE1 3.71Å; I32-Y75 CarbonylContact O-C 3.51Å; I32-Y75 WeakPolarHBondContact O-CA 3.47Å; I61-Y75 HydrophobicContact CD1-CD1 4.03Å; I61-Y75 HydrophobicContact CD1-CE1 4.17Å; A73-Y75 HydrophobicContact CB-CD2 4.18Å; A73-Y75 HydrophobicContact CB-CE2 3.6Å; Y75-L87 HydrophobicContact CD1-CD1 3.68Å; Y75-L87 HydrophobicContact CD2-CD1 3.78Å; Y75-L87 HydrophobicContact CE1-CB 4.43Å; Y75-L87 HydrophobicContact CE1-CD1 3.54Å; Y75-L87 HydrophobicContact CE2-CD1 3.65Å; Y75-L87 HydrophobicContact CG-CD1 3.79Å; Y75-D90 WeakPolarHBondContact CE1-OD2 3.17Å; Y75-D90 WeakPolarHBondContact OH-CB 3.49Å; Y75-D90 PolarHBondContact OH-OD2 3.22Å; Y75-F91 AromaticContact CE2-CE2 3.95Å; Y75-F91 HydrophobicContact CE2-CE2 3.95Å; Y75-F91 HydrophobicContact CE2-CZ 4.15Å; Y75-F91 AromaticContact CZ-CE2 3.88Å; Y75-F91 VanDerWaalsContact OH-CE2 3.26Å; Y75-F91 WeakPolarHBondContact OH-CE2 3.39Å; Y75-Y98 WeakPolarHBondContact OH-CD2 3.19Å; Y75-Y98 VanDerWaalsContact OH-CE2 3.29Å; Y75-Y98 WeakPolarHBondContact OH-CE2 3.49Å; Y75-A101 HydrophobicContact CD2-CB 4.08Å; Y75-A101 HydrophobicContact CE2-CB 3.9Å; Y75-H102 PolarHBondContact N-O 3.24Å; Y75-F104 WeakPolarHBondContact O-CA 3.35Å; Y75-F104 PolarHBondContact O-N 3.01Å
76L97.9Very high94.7Very high2 Ų246.7 Ų46.71%0.0125%0.252CS..EExtended strand (participates in β ladder)trans-10495.1168.7174.861.8000107.8I14 V18 L31 I32 V33 S37 F104 T106 I132I14-L76 HydrophobicContact CG2-CD2 4.25Å; V18-L76 HydrophobicContact CG2-CD1 4.46Å; L31-L76 HydrophobicContact CD1-CB 4.21Å; I32-L76 PolarHBondContact O-N 3.48Å; V33-L76 WeakPolarHBondContact CA-O 3.29Å; V33-L76 HydrophobicContact CG1-CB 4.19Å; S37-L76 WeakPolarHBondContact CB-O 3.39Å; S37-L76 PolarHBondContact OG-O 2.94Å; L76-F104 WeakPolarHBondContact CA-O 3.41Å; L76-F104 HydrophobicContact CD1-CB 4.14Å; L76-T106 HydrophobicContact CD1-CG2 4.44Å; L76-I132 HydrophobicContact CD1-CD1 3.67Å; L76-I132 HydrophobicContact CD1-CG1 4.46Å
77I97.1Very high95.1Very high0 Ų039.2 Ų39.20%022%0.217CC..EExtended strand (participates in β ladder)trans-137.5153.3-167.556.4174.6000111.8D34 S37 I61 L87 F104 F105 T106D34-I77 HydrophobicContact CB-CG2 4.41Å; S37-I77 WeakPolarHBondContact OG-CA 3.49Å; I61-I77 HydrophobicContact CD1-CD1 4.17Å; I61-I77 HydrophobicContact CD1-CG2 3.98Å; I77-L87 HydrophobicContact CD1-CB 4.37Å; I77-L87 HydrophobicContact CD1-CD2 4.33Å; I77-F104 PolarHBondContact N-O 3.3Å; I77-F105 HydrophobicContact CD1-CE1 3.95Å; I77-F105 HydrophobicContact CG1-CD1 4.02Å; I77-F105 HydrophobicContact CG1-CE1 3.93Å; I77-F105 VanDerWaalsContact O-CA 3.27Å; I77-F105 WeakPolarHBondContact O-CA 3.31Å; I77-T106 PolarHBondContact O-N 3.19Å
78S94.1Very high95.3Very high15 Ų1536 Ų3611%0.10519%0.194CC..  trans-68146.4166.466.60000111D34 S80 S83 T106D34-S78 VanDerWaalsContact OD2-CB 3.28Å; D34-S78 WeakPolarHBondContact OD2-CB 3.47Å; D34-S78 PolarHBondContact OD2-N 3.46Å; D34-S78 PolarHBondContact OD2-OG 2.77Å; S78-S80 PolarHBondContact O-N 3.39Å; S78-S83 WeakPolarHBondContact O-CB 3.35Å; S78-T106 WeakPolarHBondContact CA-OG1 3.3Å
79P93.5Very high95.4Very high22 Ų2238.2 Ų38.214%0.14321%0.206CC..SBendtrans-75.950.3175.632.9-35.6000111.7F105 D107 N108 C109 L113P79-F105 HydrophobicContact CB-CD1 3.82Å; P79-F105 HydrophobicContact CB-CE1 4.26Å; P79-F105 HydrophobicContact CB-CG 4.21Å; P79-D107 HydrophobicContact CG-CB 4.22Å; P79-N108 WeakPolarHBondContact CG-O 3.23Å; P79-C109 HydrophobicContact CB-CB 4.04Å; P79-L113 WeakPolarHBondContact O-CD1 3.41Å
80S92.8Very high95.5Very high40 Ų4036.1 Ų36.128%0.2819%0.19SC..  trans-89.7152.4177.681.20000111.3S78 K82 S83 V84S78-S80 PolarHBondContact O-N 3.39Å; S80-K82 PolarHBondContact O-N 3.07Å; S80-K82 PolarHBondContact OG-N 3.38Å; S80-S83 PolarHBondContact O-N 3.17Å; S80-S83 WeakPolarHBondContact OG-CB 3.36Å; S80-S83 PolarHBondContact OG-N 2.92Å; S80-S83 VanDerWaalsContact OG-N 3.08Å; S80-S83 PolarHBondContact OG-OG 3.38Å; S80-V84 WeakPolarHBondContact O-CB 3.13Å; S80-V84 WeakPolarHBondContact O-CG2 3.36Å; S80-V84 PolarHBondContact O-N 3.43Å
81K94Very high95.6Very high155 Ų15531.8 Ų31.867%0.67416%0.16SC*.Hα-helixtrans-51.7-40.7172.2-77.2176.2-179.7-177.80111.5H85 L113K81-H85 WeakPolarHBondContact O-CB 3.39Å; K81-H85 VanDerWaalsContact O-CG 3.32Å; K81-H85 PolarHBondContact O-N 3.41Å; K81-H85 VanDerWaalsContact O-N 3.12Å; K81-H85 PolarHBondContact O-ND1 2.7Å; K81-L113 HydrophobicContact CG-CD1 4.49Å; K81-L113 HydrophobicContact CG-CD2 3.92Å
82K95.1Very high95.1Very high145 Ų14536 Ų3663%0.6318%0.177SC*.Hα-helixtrans-66.3-50.8-178.1-167.8-176.5-176-174.10111.1N62 S80 A86N62-K82 WeakPolarHBondContact OD1-CD 3.29Å; N62-K82 WeakPolarHBondContact OD1-CE 3.4Å; N62-K82 WeakPolarHBondContact OD1-CG 3.31Å; S80-K82 PolarHBondContact O-N 3.07Å; S80-K82 PolarHBondContact OG-N 3.38Å; K82-A86 WeakPolarHBondContact O-CB 3.37Å; K82-A86 PolarHBondContact O-N 3.3Å
83S96Very high94.4Very high3 Ų342 Ų422%0.02121%0.205CC..Hα-helixtrans-66-43.6-178.6-55.30000112D34 I61 S78 S80 A86 L87D34-S83 PolarHBondContact OD2-OG 2.95Å; I61-S83 WeakPolarHBondContact CD1-O 3.49Å; S78-S83 WeakPolarHBondContact O-CB 3.35Å; S80-S83 PolarHBondContact O-N 3.17Å; S80-S83 WeakPolarHBondContact OG-CB 3.36Å; S80-S83 PolarHBondContact OG-N 2.92Å; S80-S83 VanDerWaalsContact OG-N 3.08Å; S80-S83 PolarHBondContact OG-OG 3.38Å; S83-A86 PolarHBondContact O-N 2.92Å; S83-L87 WeakPolarHBondContact O-CB 3.4Å; S83-L87 PolarHBondContact O-N 3.33Å
84V96.1Very high93.1Very high0 Ų049.5 Ų49.50%024%0.243CC..Hα-helixtrans-65.8-43179.7172.90000111.8S80 L87 I88 F105 L113 I117S80-V84 WeakPolarHBondContact O-CB 3.13Å; S80-V84 WeakPolarHBondContact O-CG2 3.36Å; S80-V84 PolarHBondContact O-N 3.43Å; V84-L87 WeakPolarHBondContact O-CB 3.29Å; V84-L87 PolarHBondContact O-N 2.92Å; V84-I88 HydrophobicContact CG1-CD1 4.01Å; V84-I88 WeakPolarHBondContact O-CG1 3.31Å; V84-I88 PolarHBondContact O-N 3.43Å; V84-F105 HydrophobicContact CG2-CE1 3.91Å; V84-F105 HydrophobicContact CG2-CZ 4.1Å; V84-L113 HydrophobicContact CB-CD2 4.42Å; V84-L113 HydrophobicContact CG1-CB 4.39Å; V84-L113 HydrophobicContact CG1-CD2 4.38Å; V84-L113 HydrophobicContact CG2-CB 4.37Å; V84-L113 HydrophobicContact CG2-CD1 4.22Å; V84-I117 HydrophobicContact CG1-CD1 3.9Å; V84-I117 HydrophobicContact CG1-CG1 3.7Å
85H95.5Very high92.1Very high86 Ų8653.1 Ų53.140%0.39827%0.273SS..Hα-helixtrans-67.9-36.4176.2-71.7116.3000112.5K81 L87 I88 N89K81-H85 WeakPolarHBondContact O-CB 3.39Å; K81-H85 VanDerWaalsContact O-CG 3.32Å; K81-H85 PolarHBondContact O-N 3.41Å; K81-H85 VanDerWaalsContact O-N 3.12Å; K81-H85 PolarHBondContact O-ND1 2.7Å; H85-L87 VanDerWaalsContact C-N 3.35Å; H85-I88 PolarHBondContact O-N 3.45Å; H85-N89 WeakPolarHBondContact O-CB 3.46Å; H85-N89 PolarHBondContact O-N 3.42Å; H85-N89 PolarHBondContact O-ND2 3.46Å
86A95.3Very high91.5Very high17 Ų1755.7 Ų55.714%0.1429%0.285CS..Hα-helixtrans-63.4-42174.600000111.5I61 K82 S83 I88 N89 D90I61-A86 HydrophobicContact CD1-CB 3.97Å; I61-A86 HydrophobicContact CG1-CB 3.72Å; K82-A86 WeakPolarHBondContact O-CB 3.37Å; K82-A86 PolarHBondContact O-N 3.3Å; S83-A86 PolarHBondContact O-N 2.92Å; A86-I88 PolarHBondContact O-N 3.23Å; A86-N89 PolarHBondContact O-N 3.22Å; A86-D90 PolarHBondContact O-N 3.41Å; A86-D90 VanDerWaalsContact O-N 3.15Å
87L96Very high91Very high0 Ų056.6 Ų56.60%029%0.291CS..Hα-helixtrans-57-48.3170.4165.269.6000111.4I61 Y75 I77 S83 V84 H85 N89 D90 F91 I103 V122I61-L87 HydrophobicContact CD1-CB 4.24Å; Y75-L87 HydrophobicContact CD1-CD1 3.68Å; Y75-L87 HydrophobicContact CD2-CD1 3.78Å; Y75-L87 HydrophobicContact CE1-CB 4.43Å; Y75-L87 HydrophobicContact CE1-CD1 3.54Å; Y75-L87 HydrophobicContact CE2-CD1 3.65Å; Y75-L87 HydrophobicContact CG-CD1 3.79Å; I77-L87 HydrophobicContact CD1-CB 4.37Å; I77-L87 HydrophobicContact CD1-CD2 4.33Å; S83-L87 WeakPolarHBondContact O-CB 3.4Å; S83-L87 PolarHBondContact O-N 3.33Å; V84-L87 WeakPolarHBondContact O-CB 3.29Å; V84-L87 PolarHBondContact O-N 2.92Å; H85-L87 VanDerWaalsContact C-N 3.35Å; L87-N89 VanDerWaalsContact C-N 3.26Å; L87-N89 PolarHBondContact O-N 3.08Å; L87-D90 PolarHBondContact O-N 3.39Å; L87-F91 HydrophobicContact CD1-CD2 4.44Å; L87-F91 HydrophobicContact CD1-CE2 4Å; L87-F91 WeakPolarHBondContact O-CD2 3.21Å; L87-I103 HydrophobicContact CD1-CD1 4.39Å; L87-I103 HydrophobicContact CD1-CG1 4.36Å; L87-I103 HydrophobicContact CD2-CD1 3.62Å; L87-I103 HydrophobicContact CD2-CG1 4.03Å; L87-I103 HydrophobicContact CD2-CG2 4.48Å; L87-V122 HydrophobicContact CD1-CG2 4.25Å
88I95.4Very high90.9Very high28 Ų2856.6 Ų56.614%0.14429%0.291CS..Hα-helixtrans-61.1-38.6178.9-69.6165.9000111V84 H85 A86 D90 F91 K92 D116 V122V84-I88 HydrophobicContact CG1-CD1 4.01Å; V84-I88 WeakPolarHBondContact O-CG1 3.31Å; V84-I88 PolarHBondContact O-N 3.43Å; H85-I88 PolarHBondContact O-N 3.45Å; A86-I88 PolarHBondContact O-N 3.23Å; I88-D90 VanDerWaalsContact C-N 3.34Å; I88-D90 PolarHBondContact O-N 2.77Å; I88-F91 CarbonylContact O-C 3.58Å; I88-F91 PolarHBondContact O-N 3.21Å; I88-K92 PolarHBondContact O-N 2.8Å; I88-D116 HydrophobicContact CD1-CB 4.33Å; I88-V122 HydrophobicContact CG1-CG1 4.32Å
89N93.7Very high90.9Very high91 Ų9161.3 Ų61.349%0.48731%0.309SS..Hα-helixtrans-65.8-33.5-179.7-72.9-28000112.9H85 A86 L87 F91 K92H85-N89 WeakPolarHBondContact O-CB 3.46Å; H85-N89 PolarHBondContact O-N 3.42Å; H85-N89 PolarHBondContact O-ND2 3.46Å; A86-N89 PolarHBondContact O-N 3.22Å; L87-N89 VanDerWaalsContact C-N 3.26Å; L87-N89 PolarHBondContact O-N 3.08Å; N89-F91 PolarHBondContact O-N 3.39Å; N89-F91 VanDerWaalsContact O-N 3.08Å; N89-K92 PolarHBondContact O-N 3.26Å
90D94.1Very high91Very high18 Ų1860.5 Ų60.510%0.09630%0.304CS..THydrogen-bonded Turntrans-60-19.8175.3-71.9-10000113.2R65 Y75 A86 L87 I88 T97R65-D90 IonicContact CZ-OD1 2.79Å; R65-D90 IonicContact CZ-OD2 3.79Å; R65-D90 IonicContact NH1-OD1 3.81Å; R65-D90 IonicContact NH1-OD2 3.56Å; R65-D90 PolarHBondContact NH1-OD2 3.27Å; R65-D90 VanDerWaalsContact NH2-CG 3.35Å; R65-D90 IonicContact NH2-OD1 2.57Å; R65-D90 PolarHBondContact NH2-OD1 3.47Å; R65-D90 IonicContact NH2-OD2 3.94Å; R65-D90 PolarHBondContact NH2-OD2 2.97Å; Y75-D90 WeakPolarHBondContact CE1-OD2 3.17Å; Y75-D90 WeakPolarHBondContact OH-CB 3.49Å; Y75-D90 PolarHBondContact OH-OD2 3.22Å; A86-D90 PolarHBondContact O-N 3.41Å; A86-D90 VanDerWaalsContact O-N 3.15Å; L87-D90 PolarHBondContact O-N 3.39Å; I88-D90 VanDerWaalsContact C-N 3.34Å; I88-D90 PolarHBondContact O-N 2.77Å; D90-T97 WeakPolarHBondContact O-CB 2.98Å; D90-T97 PolarHBondContact O-N 2.89Å; D90-T97 PolarHBondContact O-OG1 3.2Å
91F93.4Very high91.3Very high0 Ų058.6 Ų58.60%029%0.291CS..THydrogen-bonded Turntrans-123.218.2-178.2-57.6-85.1000113.1Y75 L87 I88 N89 F96 Y98 A101 R121 V122 V125Y75-F91 AromaticContact CE2-CE2 3.95Å; Y75-F91 HydrophobicContact CE2-CE2 3.95Å; Y75-F91 HydrophobicContact CE2-CZ 4.15Å; Y75-F91 AromaticContact CZ-CE2 3.88Å; Y75-F91 VanDerWaalsContact OH-CE2 3.26Å; Y75-F91 WeakPolarHBondContact OH-CE2 3.39Å; L87-F91 HydrophobicContact CD1-CD2 4.44Å; L87-F91 HydrophobicContact CD1-CE2 4Å; L87-F91 WeakPolarHBondContact O-CD2 3.21Å; I88-F91 CarbonylContact O-C 3.58Å; I88-F91 PolarHBondContact O-N 3.21Å; N89-F91 PolarHBondContact O-N 3.39Å; N89-F91 VanDerWaalsContact O-N 3.08Å; F91-F96 HydrophobicContact CB-CD1 4.04Å; F91-F96 HydrophobicContact CB-CE1 4.18Å; F91-F96 HydrophobicContact CB-CG 4.47Å; F91-F96 HydrophobicContact CD1-CB 3.76Å; F91-F96 HydrophobicContact CD1-CD1 4.13Å; F91-F96 AromaticContact CD1-CD2 3.97Å; F91-F96 HydrophobicContact CD1-CD2 3.97Å; F91-F96 AromaticContact CD1-CG 3.7Å; F91-F96 HydrophobicContact CD1-CG 3.7Å; F91-F96 HydrophobicContact CE1-CB 4.23Å; F91-F96 WeakPolarHBondContact O-CE1 3.37Å; F91-Y98 WeakPolarHBondContact CE1-O 3.47Å; F91-Y98 HydrophobicContact CZ-CD2 4.26Å; F91-A101 HydrophobicContact CE2-CB 4.08Å; F91-A101 HydrophobicContact CZ-CB 3.87Å; F91-R121 WeakPolarHBondContact O-CB 3.18Å; F91-V122 HydrophobicContact CB-CB 3.95Å; F91-V122 HydrophobicContact CB-CG2 4.23Å; F91-V122 HydrophobicContact CD2-CB 3.89Å; F91-V122 HydrophobicContact CD2-CG2 3.31Å; F91-V122 HydrophobicContact CE2-CG2 3.72Å; F91-V122 HydrophobicContact CG-CB 4.09Å; F91-V122 HydrophobicContact CG-CG2 3.8Å; F91-V125 HydrophobicContact CD1-CG2 3.56Å; F91-V125 HydrophobicContact CE1-CG2 3.75Å; F91-V125 HydrophobicContact CG-CG2 4.11Å; F91-V125 HydrophobicContact CZ-CG2 4.44Å
92K86.6Confident91.5Very high128 Ų12851.7 Ų51.756%0.55726%0.261SS*.THydrogen-bonded Turntrans-76.9-43.4-179.5-170.4177.8-179.6-178.50112.1I88 N89 R121I88-K92 PolarHBondContact O-N 2.8Å; N89-K92 PolarHBondContact O-N 3.26Å; K92-R121 PolarHBondContact O-NH1 3.01Å
93E81Confident91.6Very high130 Ų13044.8 Ų44.861%0.60723%0.231SC*.SBendtrans-72.3169.1-177.1-65.7-56.7147.500113F96E93-F96 VanDerWaalsContact O-CD1 3.3Å; E93-F96 WeakPolarHBondContact O-CD1 3.38Å; E93-F96 VanDerWaalsContact O-CE1 3.26Å; E93-F96 WeakPolarHBondContact O-CE1 3.11Å
94I70.8Confident91.7Very high157 Ų15744.6 Ų44.681%0.80523%0.23SC*.SBendtrans-69.2-37.1177.6-61.4172.8000110.9
95A77.5Confident91.8Very high78 Ų7844.6 Ų44.665%0.64523%0.23SC*.SBendtrans-93.6105.8170.800000108.6
96F85.5Confident91.7Very high55 Ų5540.8 Ų40.824%0.24121%0.212CC..  trans-67.8144.8178.1-62.7-26.1000111.6S69 F91 E93 Y98 V125S69-F96 WeakPolarHBondContact CB-O 3.25Å; S69-F96 PolarHBondContact OG-O 3.37Å; F91-F96 HydrophobicContact CB-CD1 4.04Å; F91-F96 HydrophobicContact CB-CE1 4.18Å; F91-F96 HydrophobicContact CB-CG 4.47Å; F91-F96 HydrophobicContact CD1-CB 3.76Å; F91-F96 HydrophobicContact CD1-CD1 4.13Å; F91-F96 AromaticContact CD1-CD2 3.97Å; F91-F96 HydrophobicContact CD1-CD2 3.97Å; F91-F96 AromaticContact CD1-CG 3.7Å; F91-F96 HydrophobicContact CD1-CG 3.7Å; F91-F96 HydrophobicContact CE1-CB 4.23Å; F91-F96 WeakPolarHBondContact O-CE1 3.37Å; E93-F96 VanDerWaalsContact O-CD1 3.3Å; E93-F96 WeakPolarHBondContact O-CD1 3.38Å; E93-F96 VanDerWaalsContact O-CE1 3.26Å; E93-F96 WeakPolarHBondContact O-CE1 3.11Å; F96-Y98 VanDerWaalsContact CB-O 3.32Å; F96-Y98 WeakPolarHBondContact CB-O 3.47Å; F96-Y98 PolarHBondContact O-N 3.08Å; F96-V125 HydrophobicContact CD2-CG1 3.88Å; F96-V125 HydrophobicContact CE2-CG1 3.45Å; F96-V125 VanDerWaalsContact CE2-CG1 3.45Å; F96-V125 HydrophobicContact CZ-CG1 4.45Å
97T88Confident91.4Very high21 Ų2140.9 Ų40.913%0.12921%0.21CC..SBendtrans-59.8-35175.8-53.30000111.4P67 I68 S69 D90P67-T97 HydrophobicContact CB-CG2 4.38Å; I68-T97 CarbonylContact C-O 3.53Å; I68-T97 PolarHBondContact N-O 2.9Å; S69-T97 PolarHBondContact N-O 3.12Å; D90-T97 WeakPolarHBondContact O-CB 2.98Å; D90-T97 PolarHBondContact O-N 2.89Å; D90-T97 PolarHBondContact O-OG1 3.2Å
98Y95.1Very high91.2Very high0 Ų045.2 Ų45.20%023%0.234CC..BIsolated β-bridgetrans-133.9159.9178.7-50.3-74.1000111.2V30 I32 E59 R65 A73 Y75 F91 F96V30-Y98 HydrophobicContact CB-CD1 4.48Å; V30-Y98 HydrophobicContact CB-CE1 4.14Å; V30-Y98 HydrophobicContact CG1-CE1 4.02Å; V30-Y98 HydrophobicContact CG2-CD1 4.37Å; V30-Y98 HydrophobicContact CG2-CE1 4.14Å; I32-Y98 HydrophobicContact CD1-CE2 4.31Å; I32-Y98 VanDerWaalsContact CD1-OH 3.23Å; I32-Y98 WeakPolarHBondContact CD1-OH 3.42Å; I32-Y98 HydrophobicContact CG1-CE2 4.28Å; E59-Y98 PolarHBondContact OE2-OH 2.89Å; R65-Y98 PolarHBondContact NH1-OH 3.47Å; A73-Y98 HydrophobicContact CB-CD1 3.95Å; A73-Y98 HydrophobicContact CB-CD2 3.64Å; A73-Y98 HydrophobicContact CB-CE1 4.44Å; A73-Y98 HydrophobicContact CB-CE2 4.16Å; A73-Y98 HydrophobicContact CB-CG 3.52Å; Y75-Y98 WeakPolarHBondContact OH-CD2 3.19Å; Y75-Y98 VanDerWaalsContact OH-CE2 3.29Å; Y75-Y98 WeakPolarHBondContact OH-CE2 3.49Å; F91-Y98 WeakPolarHBondContact CE1-O 3.47Å; F91-Y98 HydrophobicContact CZ-CD2 4.26Å; F96-Y98 VanDerWaalsContact CB-O 3.32Å; F96-Y98 WeakPolarHBondContact CB-O 3.47Å; F96-Y98 PolarHBondContact O-N 3.08Å
99K94.3Very high91Very high114 Ų11444 Ų4450%0.49623%0.228SC..SBendtrans-65.9-39-179.1-175.2-176.2174.2-165.80113.2S69 L71 E72S69-K99 WeakPolarHBondContact O-CB 3.12Å; L71-K99 VanDerWaalsContact O-CB 3.26Å; L71-K99 WeakPolarHBondContact O-CB 3.37Å; L71-K99 PolarHBondContact O-N 3.25Å; E72-K99 HydrophobicContact CG-CB 4.14Å; E72-K99 HydrophobicContact CG-CD 4.1Å; E72-K99 HydrophobicContact CG-CG 4.42Å; E72-K99 IonicContact OE1-NZ 3.45Å
100A95.4Very high90.9Very high4 Ų442.8 Ų42.83%0.03323%0.225CC..  trans-159.4163.3-179.200000110.9E72 A73 V125 K127E72-A100 HydrophobicContact CB-CB 4.45Å; E72-A100 HydrophobicContact CG-CB 4Å; A73-A100 PolarHBondContact N-O 3.31Å; A100-V125 WeakPolarHBondContact CB-O 3.27Å; A100-K127 HydrophobicContact CB-CD 3.87Å; A100-K127 HydrophobicContact CB-CG 4.08Å
101A97.6Very high90.9Very high0 Ų048.7 Ų48.70%026%0.256CS..EExtended strand (participates in β ladder)trans-118.6131.5-179.200000112.4Y75 F91 I103 V122 V125 I126 K127Y75-A101 HydrophobicContact CD2-CB 4.08Å; Y75-A101 HydrophobicContact CE2-CB 3.9Å; F91-A101 HydrophobicContact CE2-CB 4.08Å; F91-A101 HydrophobicContact CZ-CB 3.87Å; A101-I103 HydrophobicContact CB-CG1 4.33Å; A101-V122 HydrophobicContact CB-CG2 4.32Å; A101-V125 PolarHBondContact N-O 3.18Å; A101-I126 HydrophobicContact CB-CG1 4.46Å; A101-I126 WeakPolarHBondContact O-CA 3.3Å; A101-K127 PolarHBondContact O-N 3.32Å
102H98.1Very high91Very high10 Ų1052 Ų525%0.04628%0.284CS..EExtended strand (participates in β ladder)trans-111.4105164.9-62.4-89.3000108.5V22 E72 A73 I74 Y75 F104 T128V22-H102 HydrophobicContact CG1-CB 4.08Å; V22-H102 WeakPolarHBondContact CG1-ND1 3.5Å; E72-H102 IonicContact OE2-NE2 2.71Å; E72-H102 PolarHBondContact OE2-NE2 3.04Å; A73-H102 PolarHBondContact O-N 2.99Å; I74-H102 CarbonylContact C-O 3.52Å; I74-H102 WeakPolarHBondContact CA-O 3.22Å; Y75-H102 PolarHBondContact N-O 3.24Å; H102-F104 HydrophobicContact CB-CE2 3.91Å; H102-T128 PolarHBondContact ND1-OG1 3.07Å
103I98.1Very high91.4Very high0 Ų046.5 Ų46.50%026%0.26CS..EExtended strand (participates in β ladder)trans-97.3127.8-173.8-56.2161.7000109.7L87 A101 F105 I126 T128 L129 K130L87-I103 HydrophobicContact CD1-CD1 4.39Å; L87-I103 HydrophobicContact CD1-CG1 4.36Å; L87-I103 HydrophobicContact CD2-CD1 3.62Å; L87-I103 HydrophobicContact CD2-CG1 4.03Å; L87-I103 HydrophobicContact CD2-CG2 4.48Å; A101-I103 HydrophobicContact CB-CG1 4.33Å; I103-F105 HydrophobicContact CG2-CD2 4.15Å; I103-F105 HydrophobicContact CG2-CE1 4.16Å; I103-F105 HydrophobicContact CG2-CE2 3.76Å; I103-F105 HydrophobicContact CG2-CZ 3.76Å; I103-I126 HydrophobicContact CD1-CD1 3.48Å; I103-I126 VanDerWaalsContact CD1-CD1 3.48Å; I103-I126 HydrophobicContact CD1-CG1 3.59Å; I103-I126 HydrophobicContact CD1-CG2 4.37Å; I103-T128 PolarHBondContact N-O 2.74Å; I103-L129 HydrophobicContact CB-CG 4.46Å; I103-L129 CarbonylContact O-C 3.59Å; I103-L129 VanDerWaalsContact O-CA 3.27Å; I103-L129 WeakPolarHBondContact O-CA 3.26Å; I103-K130 PolarHBondContact O-N 3.09Å
104F98.1Very high92.1Very high0 Ų045.1 Ų45.10%025%0.253CS..EExtended strand (participates in β ladder)trans-127.6107.8174.8-65.3-90.7000108G17 V18 V22 I74 Y75 L76 I77 H102 T128 K130 I132G17-F104 WeakPolarHBondContact O-CE1 3.1Å; V18-F104 HydrophobicContact CB-CD1 4.36Å; V18-F104 HydrophobicContact CB-CE1 4.47Å; V18-F104 HydrophobicContact CB-CG 4.43Å; V18-F104 HydrophobicContact CG1-CB 4.27Å; V18-F104 HydrophobicContact CG1-CD1 4.18Å; V18-F104 HydrophobicContact CG1-CD2 3.65Å; V18-F104 HydrophobicContact CG1-CE1 4.41Å; V18-F104 HydrophobicContact CG1-CE2 3.9Å; V18-F104 HydrophobicContact CG1-CG 3.78Å; V18-F104 HydrophobicContact CG1-CZ 4.28Å; V18-F104 HydrophobicContact CG2-CB 4.35Å; V18-F104 HydrophobicContact CG2-CD1 3.91Å; V18-F104 HydrophobicContact CG2-CE1 4.37Å; V18-F104 HydrophobicContact CG2-CG 4.12Å; V22-F104 HydrophobicContact CG1-CE2 3.9Å; V22-F104 HydrophobicContact CG1-CZ 3.74Å; I74-F104 HydrophobicContact CG2-CD2 3.9Å; I74-F104 HydrophobicContact CG2-CE2 4Å; Y75-F104 WeakPolarHBondContact O-CA 3.35Å; Y75-F104 PolarHBondContact O-N 3.01Å; L76-F104 WeakPolarHBondContact CA-O 3.41Å; L76-F104 HydrophobicContact CD1-CB 4.14Å; I77-F104 PolarHBondContact N-O 3.3Å; H102-F104 HydrophobicContact CB-CE2 3.91Å; F104-T128 HydrophobicContact CE1-CG2 4.34Å; F104-T128 HydrophobicContact CE2-CG2 4.5Å; F104-T128 HydrophobicContact CZ-CG2 3.97Å; F104-K130 CarbonylContact C-O 3.58Å; F104-K130 VanDerWaalsContact CA-O 3.25Å; F104-K130 WeakPolarHBondContact CA-O 3.35Å; F104-K130 HydrophobicContact CD1-CB 4.01Å; F104-K130 HydrophobicContact CE1-CB 4.2Å; F104-K130 HydrophobicContact CE1-CD 4.09Å; F104-I132 HydrophobicContact CB-CG2 4.22Å; F104-I132 HydrophobicContact CD1-CG2 4.01Å
105F97.4Very high93.3Very high0 Ų039.3 Ų39.30%023%0.228CC..EExtended strand (participates in β ladder)trans-82.3137.2174-70.8-61.7000110.7I77 P79 V84 I103 D107 C109 I117 K130 E131 I132I77-F105 HydrophobicContact CD1-CE1 3.95Å; I77-F105 HydrophobicContact CG1-CD1 4.02Å; I77-F105 HydrophobicContact CG1-CE1 3.93Å; I77-F105 VanDerWaalsContact O-CA 3.27Å; I77-F105 WeakPolarHBondContact O-CA 3.31Å; P79-F105 HydrophobicContact CB-CD1 3.82Å; P79-F105 HydrophobicContact CB-CE1 4.26Å; P79-F105 HydrophobicContact CB-CG 4.21Å; V84-F105 HydrophobicContact CG2-CE1 3.91Å; V84-F105 HydrophobicContact CG2-CZ 4.1Å; I103-F105 HydrophobicContact CG2-CD2 4.15Å; I103-F105 HydrophobicContact CG2-CE1 4.16Å; I103-F105 HydrophobicContact CG2-CE2 3.76Å; I103-F105 HydrophobicContact CG2-CZ 3.76Å; F105-D107 VanDerWaalsContact CB-O 3.27Å; F105-D107 WeakPolarHBondContact CB-O 3.18Å; F105-D107 PolarHBondContact O-N 3Å; F105-C109 HydrophobicContact CD2-CB 3.74Å; F105-C109 HydrophobicContact CE2-CB 3.91Å; F105-C109 HydrophobicContact CG-CB 4.27Å; F105-I117 HydrophobicContact CE2-CD1 4.12Å; F105-I117 HydrophobicContact CZ-CD1 3.68Å; F105-K130 PolarHBondContact N-O 3.33Å; F105-E131 HydrophobicContact CB-CG 4.24Å; F105-I132 VanDerWaalsContact O-CG1 3.27Å; F105-I132 WeakPolarHBondContact O-CG1 3.38Å; F105-I132 PolarHBondContact O-N 3.39Å
106T93.9Very high94.2Very high5 Ų538.2 Ų38.23%0.03121%0.211CC..SBendtrans-62.5-27.1175.757.60000112.5S37 I40 L76 I77 S78 N133 V134S37-T106 WeakPolarHBondContact OG-CG2 3.42Å; I40-T106 HydrophobicContact CD1-CG2 4.24Å; L76-T106 HydrophobicContact CD1-CG2 4.44Å; I77-T106 PolarHBondContact O-N 3.19Å; S78-T106 WeakPolarHBondContact CA-OG1 3.3Å; T106-N133 CarbonylContact O-C 3.53Å; T106-N133 WeakPolarHBondContact O-CA 3.37Å; T106-N133 PolarHBondContact O-N 2.9Å; T106-V134 WeakPolarHBondContact CB-O 3.46Å; T106-V134 CarbonylContact O-C 3.52Å; T106-V134 VanDerWaalsContact O-C 3.29Å; T106-V134 PolarHBondContact O-N 3.23Å
107D90.4Very high94.7Very high19 Ų1935.8 Ų35.810%0.10220%0.201CC..SBendtrans-147.3177.7-175.3-154.8-5.7000110.7P79 F105 C109 A135 E173 T177P79-D107 HydrophobicContact CG-CB 4.22Å; F105-D107 VanDerWaalsContact CB-O 3.27Å; F105-D107 WeakPolarHBondContact CB-O 3.18Å; F105-D107 PolarHBondContact O-N 3Å; D107-C109 PolarHBondContact O-N 3.16Å; D107-A135 HydrophobicContact CB-CB 4.02Å; D107-E173 VanDerWaalsContact CG-CG 3.47Å; D107-E173 VanDerWaalsContact OD1-CG 3.24Å; D107-E173 WeakPolarHBondContact OD1-CG 3.31Å; D107-E173 WeakPolarHBondContact OD2-CG 3.29Å; D107-T177 WeakPolarHBondContact OD1-CG2 3.36Å
108N90Very high95Very high92 Ų9237.3 Ų37.349%0.49222%0.22SC..PPolyproline II helixtrans-55127.8176.6-17830.8000111.8P79 P110 E131P79-N108 WeakPolarHBondContact CG-O 3.23Å; N108-P110 WeakPolarHBondContact O-CD 3.2Å; N108-E131 PolarHBondContact OD1-OE1 3.17Å
109C92.4Very high95Very high3 Ų346.9 Ų46.92%0.0226%0.256CS..PPolyproline II helixtrans-86.1120.9-179-171.10000111.3P79 F105 D107 D111 E131P79-C109 HydrophobicContact CB-CB 4.04Å; F105-C109 HydrophobicContact CD2-CB 3.74Å; F105-C109 HydrophobicContact CE2-CB 3.91Å; F105-C109 HydrophobicContact CG-CB 4.27Å; D107-C109 PolarHBondContact O-N 3.16Å; C109-D111 PolarHBondContact O-N 3.17Å; C109-E131 PolarHBondContact N-OE1 3.4Å
110P92.3Very high95Very high64 Ų6442.6 Ų42.642%0.41624%0.241SC..PPolyproline II helixtrans-56.7136.5178.1-25.133.4000112.6N108 A112 L113 F114N108-P110 WeakPolarHBondContact O-CD 3.2Å; P110-A112 PolarHBondContact O-N 3.05Å; P110-L113 HydrophobicContact CG-CD1 4.32Å; P110-L113 PolarHBondContact O-N 3.37Å; P110-F114 PolarHBondContact O-N 3.16Å
111D93.6Very high94.9Very high142 Ų14249 Ų4976%0.75926%0.264SS*.Hα-helixtrans-50.3-36.9-176.7-72.5-17000113.9C109 F114 A115C109-D111 PolarHBondContact O-N 3.17Å; D111-F114 PolarHBondContact O-N 3.31Å; D111-A115 VanDerWaalsContact O-CB 3.31Å; D111-A115 WeakPolarHBondContact O-CB 3.45Å; D111-A115 PolarHBondContact O-N 3.44Å
112A95.1Very high94.7Very high70 Ų7049 Ų4958%0.57926%0.264SS*.Hα-helixtrans-62-45.8177.400000112P110 A115 D116P110-A112 PolarHBondContact O-N 3.05Å; A112-A115 PolarHBondContact O-N 2.85Å; A112-D116 PolarHBondContact O-N 3.32Å; A112-D116 VanDerWaalsContact O-N 3.12Å
113L95.4Very high94.5Very high13 Ų1350.6 Ų50.67%0.06828%0.279CS..Hα-helixtrans-71-37.8178.2-67.7-179.4000111.4P79 K81 V84 P110 A115 D116 I117P79-L113 WeakPolarHBondContact O-CD1 3.41Å; K81-L113 HydrophobicContact CG-CD1 4.49Å; K81-L113 HydrophobicContact CG-CD2 3.92Å; V84-L113 HydrophobicContact CB-CD2 4.42Å; V84-L113 HydrophobicContact CG1-CB 4.39Å; V84-L113 HydrophobicContact CG1-CD2 4.38Å; V84-L113 HydrophobicContact CG2-CB 4.37Å; V84-L113 HydrophobicContact CG2-CD1 4.22Å; P110-L113 HydrophobicContact CG-CD1 4.32Å; P110-L113 PolarHBondContact O-N 3.37Å; L113-A115 VanDerWaalsContact C-N 3.33Å; L113-A115 PolarHBondContact O-N 3.38Å; L113-D116 PolarHBondContact O-N 2.92Å; L113-I117 WeakPolarHBondContact O-CG1 3.46Å; L113-I117 PolarHBondContact O-N 3.16Å; L113-I117 VanDerWaalsContact O-N 3.09Å
114F95.6Very high94.3Very high101 Ų10161.4 Ų61.444%0.44332%0.32SS..Hα-helixtrans-61-42.9174.2-172.9-96.2000111.7P110 D111 D116 I117 G118 L129P110-F114 PolarHBondContact O-N 3.16Å; D111-F114 PolarHBondContact O-N 3.31Å; F114-D116 VanDerWaalsContact C-N 3.34Å; F114-D116 PolarHBondContact O-N 3.28Å; F114-I117 WeakPolarHBondContact O-CB 3.27Å; F114-I117 PolarHBondContact O-N 2.86Å; F114-G118 PolarHBondContact O-N 2.81Å; F114-L129 HydrophobicContact CD2-CD1 4.37Å; F114-L129 HydrophobicContact CD2-CD2 4.46Å; F114-L129 HydrophobicContact CE2-CD1 3.78Å; F114-L129 HydrophobicContact CE2-CD2 3.81Å; F114-L129 HydrophobicContact CE2-CG 4.48Å
115A96.3Very high94.1Very high34 Ų3462.6 Ų62.628%0.28133%0.327SS..Hα-helixtrans-63.6-37.4175.500000112.6D111 A112 L113 G118 R119D111-A115 VanDerWaalsContact O-CB 3.31Å; D111-A115 WeakPolarHBondContact O-CB 3.45Å; D111-A115 PolarHBondContact O-N 3.44Å; A112-A115 PolarHBondContact O-N 2.85Å; L113-A115 VanDerWaalsContact C-N 3.33Å; L113-A115 PolarHBondContact O-N 3.38Å; A115-G118 PolarHBondContact O-N 2.89Å; A115-R119 WeakPolarHBondContact O-CG 3.48Å; A115-R119 PolarHBondContact O-N 3.28Å
116D95.6Very high94.1Very high56 Ų5664.6 Ų64.630%0.29934%0.337SS..Hα-helixtrans-64.3-40.7176.1-71-21.2000111.8I88 A112 L113 F114 R119 S120I88-D116 HydrophobicContact CD1-CB 4.33Å; A112-D116 PolarHBondContact O-N 3.32Å; A112-D116 VanDerWaalsContact O-N 3.12Å; L113-D116 PolarHBondContact O-N 2.92Å; F114-D116 VanDerWaalsContact C-N 3.34Å; F114-D116 PolarHBondContact O-N 3.28Å; D116-R119 PolarHBondContact O-N 3.34Å; D116-R119 IonicContact OD1-NH1 3.61Å; D116-S120 WeakPolarHBondContact O-CB 2.98Å; D116-S120 PolarHBondContact O-N 3.36Å
117I95.6Very high94.3Very high4 Ų469.1 Ų69.12%0.02136%0.357CS..Hα-helixtrans-59.6-48.6172.2-65.7167.2000110V84 F105 L113 F114 R119 S120 V122 I126V84-I117 HydrophobicContact CG1-CD1 3.9Å; V84-I117 HydrophobicContact CG1-CG1 3.7Å; F105-I117 HydrophobicContact CE2-CD1 4.12Å; F105-I117 HydrophobicContact CZ-CD1 3.68Å; L113-I117 WeakPolarHBondContact O-CG1 3.46Å; L113-I117 PolarHBondContact O-N 3.16Å; L113-I117 VanDerWaalsContact O-N 3.09Å; F114-I117 WeakPolarHBondContact O-CB 3.27Å; F114-I117 PolarHBondContact O-N 2.86Å; I117-R119 VanDerWaalsContact C-N 3.28Å; I117-R119 PolarHBondContact O-N 3.31Å; I117-S120 PolarHBondContact O-N 2.99Å; I117-S120 VanDerWaalsContact O-N 3.08Å; I117-S120 PolarHBondContact O-OG 3.37Å; I117-V122 HydrophobicContact CG2-CG1 3.94Å; I117-I126 HydrophobicContact CG2-CD1 3.56Å
118G95.1Very high94.6Very high52 Ų5269.7 Ų69.754%0.53636%0.36SS..Hα-helixtrans-62.1-29.7-178.700000114.6F114 A115F114-G118 PolarHBondContact O-N 2.81Å; A115-G118 PolarHBondContact O-N 2.89Å
119R95.2Very high94.9Very high202 Ų20268 Ų6876%0.76235%0.351SS*.Hα-helixtrans-83.8-14.8176.5-69.1171-173.3157.41.5113.6A115 D116 I117A115-R119 WeakPolarHBondContact O-CG 3.48Å; A115-R119 PolarHBondContact O-N 3.28Å; D116-R119 PolarHBondContact O-N 3.34Å; D116-R119 IonicContact OD1-NH1 3.61Å; I117-R119 VanDerWaalsContact C-N 3.28Å; I117-R119 PolarHBondContact O-N 3.31Å
120S94.1Very high95Very high24 Ų2473 Ų7317%0.16837%0.373CS..SBendtrans-89.3168.7-174.477.90000113D116 I117 V122 A123D116-S120 WeakPolarHBondContact O-CB 2.98Å; D116-S120 PolarHBondContact O-N 3.36Å; I117-S120 PolarHBondContact O-N 2.99Å; I117-S120 VanDerWaalsContact O-N 3.08Å; I117-S120 PolarHBondContact O-OG 3.37Å; S120-V122 PolarHBondContact O-N 3.25Å; S120-V122 WeakPolarHBondContact OG-CG1 3.47Å; S120-V122 PolarHBondContact OG-N 3.3Å; S120-A123 WeakPolarHBondContact O-CB 3.35Å; S120-A123 PolarHBondContact O-N 2.94Å
121R92.8Very high95.1Very high138 Ų13873.8 Ų73.852%0.52137%0.371SS..G310 helixtrans-65.5-26176.7-72.2-177.2178.3-175.4-1.9113.1F91 K92 A123 R124F91-R121 WeakPolarHBondContact O-CB 3.18Å; K92-R121 PolarHBondContact O-NH1 3.01Å; R121-A123 PolarHBondContact O-N 2.91Å; R121-R124 PolarHBondContact O-N 2.89Å; R121-R124 VanDerWaalsContact O-N 3.16Å
122V93.6Very high95Very high1 Ų168 Ų681%0.00634%0.339CS..G310 helixtrans-60-31.5-179.2700000111.3L87 I88 F91 A101 I117 S120 R124 V125 I126L87-V122 HydrophobicContact CD1-CG2 4.25Å; I88-V122 HydrophobicContact CG1-CG1 4.32Å; F91-V122 HydrophobicContact CB-CB 3.95Å; F91-V122 HydrophobicContact CB-CG2 4.23Å; F91-V122 HydrophobicContact CD2-CB 3.89Å; F91-V122 HydrophobicContact CD2-CG2 3.31Å; F91-V122 HydrophobicContact CE2-CG2 3.72Å; F91-V122 HydrophobicContact CG-CB 4.09Å; F91-V122 HydrophobicContact CG-CG2 3.8Å; A101-V122 HydrophobicContact CB-CG2 4.32Å; I117-V122 HydrophobicContact CG2-CG1 3.94Å; S120-V122 PolarHBondContact O-N 3.25Å; S120-V122 WeakPolarHBondContact OG-CG1 3.47Å; S120-V122 PolarHBondContact OG-N 3.3Å; V122-R124 PolarHBondContact O-N 2.78Å; V122-V125 HydrophobicContact CG2-CG2 4.12Å; V122-V125 WeakPolarHBondContact O-CG2 3.3Å; V122-V125 PolarHBondContact O-N 2.95Å; V122-I126 HydrophobicContact CG1-CD1 4.28Å; V122-I126 HydrophobicContact CG2-CD1 4.36Å; V122-I126 HydrophobicContact CG2-CG1 4.03Å; V122-I126 WeakPolarHBondContact O-CG1 3.48Å; V122-I126 PolarHBondContact O-N 3.06Å; V122-I126 VanDerWaalsContact O-N 3.12Å
123A94.8Very high94.9Very high43 Ų4365.8 Ų65.836%0.35532%0.318SS..G310 helixtrans-53.2-28.2178.500000114S120 R121 V125S120-A123 WeakPolarHBondContact O-CB 3.35Å; S120-A123 PolarHBondContact O-N 2.94Å; R121-A123 PolarHBondContact O-N 2.91Å; A123-V125 VanDerWaalsContact C-N 3.33Å
124R92.9Very high94.8Very high226 Ų22665.2 Ų65.285%0.85332%0.315SS*.G310 helixtrans-78.1-16.2179.6-61.7-178.565.5178.8-0.2114R121 V122R121-R124 PolarHBondContact O-N 2.89Å; R121-R124 VanDerWaalsContact O-N 3.16Å; V122-R124 PolarHBondContact O-N 2.78Å
125V94.6Very high94.7Very high25 Ų2560.7 Ų60.715%0.15230%0.296CS..THydrogen-bonded Turntrans-120-0.9-175.7-620000113.4F91 F96 A100 A101 V122 A123 K127F91-V125 HydrophobicContact CD1-CG2 3.56Å; F91-V125 HydrophobicContact CE1-CG2 3.75Å; F91-V125 HydrophobicContact CG-CG2 4.11Å; F91-V125 HydrophobicContact CZ-CG2 4.44Å; F96-V125 HydrophobicContact CD2-CG1 3.88Å; F96-V125 HydrophobicContact CE2-CG1 3.45Å; F96-V125 VanDerWaalsContact CE2-CG1 3.45Å; F96-V125 HydrophobicContact CZ-CG1 4.45Å; A100-V125 WeakPolarHBondContact CB-O 3.27Å; A101-V125 PolarHBondContact N-O 3.18Å; V122-V125 HydrophobicContact CG2-CG2 4.12Å; V122-V125 WeakPolarHBondContact O-CG2 3.3Å; V122-V125 PolarHBondContact O-N 2.95Å; A123-V125 VanDerWaalsContact C-N 3.33Å; V125-K127 PolarHBondContact O-N 3.45Å
126I96.6Very high94.8Very high43 Ų4359.1 Ų59.122%0.22128%0.283CS..EExtended strand (participates in β ladder)trans-67.2121.6171.4-68.1169.4000108.9A101 I103 I117 V122 T128 L129A101-I126 HydrophobicContact CB-CG1 4.46Å; A101-I126 WeakPolarHBondContact O-CA 3.3Å; I103-I126 HydrophobicContact CD1-CD1 3.48Å; I103-I126 VanDerWaalsContact CD1-CD1 3.48Å; I103-I126 HydrophobicContact CD1-CG1 3.59Å; I103-I126 HydrophobicContact CD1-CG2 4.37Å; I117-I126 HydrophobicContact CG2-CD1 3.56Å; V122-I126 HydrophobicContact CG1-CD1 4.28Å; V122-I126 HydrophobicContact CG2-CD1 4.36Å; V122-I126 HydrophobicContact CG2-CG1 4.03Å; V122-I126 WeakPolarHBondContact O-CG1 3.48Å; V122-I126 PolarHBondContact O-N 3.06Å; V122-I126 VanDerWaalsContact O-N 3.12Å; I126-T128 WeakPolarHBondContact CG2-O 3.34Å; I126-L129 HydrophobicContact CD1-CD1 4.45Å; I126-L129 HydrophobicContact CG2-CB 4.07Å
127K97.3Very high94.8Very high100 Ų10056.7 Ų56.744%0.43527%0.27SS..EExtended strand (participates in β ladder)trans-99.3-24.4172.4-72-173.6179.5-175.40113E72 A100 A101 V125E72-K127 IonicContact OE1-NZ 3.93Å; E72-K127 PolarHBondContact OE1-NZ 3.17Å; E72-K127 IonicContact OE2-NZ 2.74Å; E72-K127 PolarHBondContact OE2-NZ 2.79Å; A100-K127 HydrophobicContact CB-CD 3.87Å; A100-K127 HydrophobicContact CB-CG 4.08Å; A101-K127 PolarHBondContact O-N 3.32Å; V125-K127 PolarHBondContact O-N 3.45Å
128T97.3Very high94.8Very high30 Ų3056.5 Ų56.518%0.18427%0.269CS..EExtended strand (participates in β ladder)trans-149.5135.2-178.3-52.90000107.8H102 I103 F104 I126 K130H102-T128 PolarHBondContact ND1-OG1 3.07Å; I103-T128 PolarHBondContact N-O 2.74Å; F104-T128 HydrophobicContact CE1-CG2 4.34Å; F104-T128 HydrophobicContact CE2-CG2 4.5Å; F104-T128 HydrophobicContact CZ-CG2 3.97Å; I126-T128 WeakPolarHBondContact CG2-O 3.34Å; T128-K130 HydrophobicContact CG2-CD 4.09Å; T128-K130 HydrophobicContact CG2-CG 3.98Å
129L96.7Very high94.9Very high57 Ų5755.6 Ų55.630%0.29825%0.25SC..EExtended strand (participates in β ladder)trans-138.3114170.3-171159000106.2I103 F114 I126I103-L129 HydrophobicContact CB-CG 4.46Å; I103-L129 CarbonylContact O-C 3.59Å; I103-L129 VanDerWaalsContact O-CA 3.27Å; I103-L129 WeakPolarHBondContact O-CA 3.26Å; F114-L129 HydrophobicContact CD2-CD1 4.37Å; F114-L129 HydrophobicContact CD2-CD2 4.46Å; F114-L129 HydrophobicContact CE2-CD1 3.78Å; F114-L129 HydrophobicContact CE2-CD2 3.81Å; F114-L129 HydrophobicContact CE2-CG 4.48Å; I126-L129 HydrophobicContact CD1-CD1 4.45Å; I126-L129 HydrophobicContact CG2-CB 4.07Å
130K95.4Very high95Very high109 Ų10946.2 Ų46.247%0.47421%0.214SC..EExtended strand (participates in β ladder)trans-141.4156.1-178.2-69.6-175.3178.9-179.40110.6I103 F104 F105 T128I103-K130 PolarHBondContact O-N 3.09Å; F104-K130 CarbonylContact C-O 3.58Å; F104-K130 VanDerWaalsContact CA-O 3.25Å; F104-K130 WeakPolarHBondContact CA-O 3.35Å; F104-K130 HydrophobicContact CD1-CB 4.01Å; F104-K130 HydrophobicContact CE1-CB 4.2Å; F104-K130 HydrophobicContact CE1-CD 4.09Å; F105-K130 PolarHBondContact N-O 3.33Å; T128-K130 HydrophobicContact CG2-CD 4.09Å; T128-K130 HydrophobicContact CG2-CG 3.98Å
131E93.3Very high95.1Very high80 Ų8046.3 Ų46.337%0.37422%0.215SC..EExtended strand (participates in β ladder)trans-105.9131.8169.9-65.8165169.800107.7F105 N108 C109F105-E131 HydrophobicContact CB-CG 4.24Å; N108-E131 PolarHBondContact OD1-OE1 3.17Å; C109-E131 PolarHBondContact N-OE1 3.4Å
132I92.6Very high95.3Very high19 Ų1940.8 Ų40.810%0.09720%0.195CC..  trans-94-18.4179.963.4160.1000112.4K13 I14 V18 L76 F104 F105 V134K13-I132 WeakPolarHBondContact CE-O 3.33Å; K13-I132 PolarHBondContact NZ-O 2.86Å; I14-I132 HydrophobicContact CG1-CD1 4.43Å; V18-I132 HydrophobicContact CG2-CG2 3.65Å; L76-I132 HydrophobicContact CD1-CD1 3.67Å; L76-I132 HydrophobicContact CD1-CG1 4.46Å; F104-I132 HydrophobicContact CB-CG2 4.22Å; F104-I132 HydrophobicContact CD1-CG2 4.01Å; F105-I132 VanDerWaalsContact O-CG1 3.27Å; F105-I132 WeakPolarHBondContact O-CG1 3.38Å; F105-I132 PolarHBondContact O-N 3.39Å; I132-V134 HydrophobicContact CD1-CB 3.87Å; I132-V134 HydrophobicContact CD1-CG2 4.09Å; I132-V134 HydrophobicContact CG1-CB 4.27Å; I132-V134 HydrophobicContact CG1-CG2 4.37Å
133N91.8Very high95.5Very high25 Ų2540.7 Ų40.713%0.13420%0.195CC..  trans50.658.4-176.8-57-17000111.4K13 T106 T177 T181K13-N133 PolarHBondContact NZ-O 3.49Å; T106-N133 CarbonylContact O-C 3.53Å; T106-N133 WeakPolarHBondContact O-CA 3.37Å; T106-N133 PolarHBondContact O-N 2.9Å; N133-T177 HydrophobicContact CB-CG2 4.25Å; N133-T181 PolarHBondContact O-OG1 3.5Å; N133-T181 VanDerWaalsContact O-OG1 3.07Å
134V93.9Very high95.7Very high0 Ų038.7 Ų38.70%018%0.178CC..  trans-136.291.3170.9-177.80000106.9V10 K13 I40 T106 I132 F136V10-V134 HydrophobicContact CG1-CG1 3.73Å; V10-V134 HydrophobicContact CG2-CG1 4.4Å; K13-V134 HydrophobicContact CD-CG2 3.69Å; K13-V134 HydrophobicContact CG-CG2 4.37Å; I40-V134 WeakPolarHBondContact CD1-O 3.42Å; I40-V134 HydrophobicContact CG2-CG1 4.04Å; T106-V134 WeakPolarHBondContact CB-O 3.46Å; T106-V134 CarbonylContact O-C 3.52Å; T106-V134 VanDerWaalsContact O-C 3.29Å; T106-V134 PolarHBondContact O-N 3.23Å; I132-V134 HydrophobicContact CD1-CB 3.87Å; I132-V134 HydrophobicContact CD1-CG2 4.09Å; I132-V134 HydrophobicContact CG1-CB 4.27Å; I132-V134 HydrophobicContact CG1-CG2 4.37Å; V134-F136 HydrophobicContact CG1-CD1 4.49Å; V134-F136 HydrophobicContact CG1-CE1 4.19Å
135A94.2Very high95.9Very high6 Ų628.2 Ų28.25%0.0514%0.139CC..  trans-115.630.2-176.900000112.6D107 Q174 T177D107-A135 HydrophobicContact CB-CB 4.02Å; A135-Q174 HydrophobicContact CB-CB 4.34Å; A135-Q174 HydrophobicContact CB-CG 3.85Å; A135-Q174 VanDerWaalsContact O-CG 3.32Å; A135-Q174 WeakPolarHBondContact O-CG 3.38Å; A135-Q174 PolarHBondContact O-NE2 3.47Å; A135-T177 HydrophobicContact CB-CG2 4Å; A135-T177 PolarHBondContact N-OG1 2.84Å; A135-T177 VanDerWaalsContact N-OG1 3.12Å
136F96.5Very high95.9Very high2 Ų227.3 Ų27.31%0.00913%0.134CC..SBendtrans-138.9157178.769.6-84.6000111.2L6 V10 V134 P138 F144 L146 L178 T181L6-F136 HydrophobicContact CD2-CE2 4.43Å; V10-F136 HydrophobicContact CG2-CE1 4.49Å; V10-F136 HydrophobicContact CG2-CE2 3.87Å; V10-F136 HydrophobicContact CG2-CZ 3.56Å; V134-F136 HydrophobicContact CG1-CD1 4.49Å; V134-F136 HydrophobicContact CG1-CE1 4.19Å; F136-P138 HydrophobicContact CE2-CB 4.44Å; F136-F144 HydrophobicContact CD2-CB 3.88Å; F136-F144 HydrophobicContact CE2-CB 4.43Å; F136-L146 HydrophobicContact CB-CD2 3.71Å; F136-L178 HydrophobicContact CD1-CB 3.84Å; F136-L178 HydrophobicContact CD1-CD1 4.3Å; F136-L178 HydrophobicContact CD2-CD1 4.04Å; F136-L178 VanDerWaalsContact CE1-CA 3.43Å; F136-L178 HydrophobicContact CE1-CB 3.88Å; F136-L178 HydrophobicContact CE1-CD1 3.86Å; F136-L178 HydrophobicContact CE2-CD1 3.54Å; F136-L178 HydrophobicContact CG-CB 4.32Å; F136-L178 HydrophobicContact CG-CD1 4.4Å; F136-L178 HydrophobicContact CZ-CB 4.36Å; F136-L178 HydrophobicContact CZ-CD1 3.44Å; F136-L178 VanDerWaalsContact CZ-CD1 3.44Å; F136-T181 HydrophobicContact CE1-CG2 4.46Å; F136-T181 HydrophobicContact CZ-CG2 4.27Å
137L96.3Very high95.7Very high4 Ų426.9 Ų26.92%0.02113%0.132CC..EExtended strand (participates in β ladder)trans-89.5121174.1-59.9-179.2000110.6R39 I40 Y139 F144 S145 D147R39-L137 HydrophobicContact CB-CD1 4.42Å; R39-L137 HydrophobicContact CB-CD2 3.62Å; I40-L137 HydrophobicContact CB-CD2 4.25Å; I40-L137 HydrophobicContact CG1-CD2 3.58Å; I40-L137 VanDerWaalsContact N-CD2 3.34Å; L137-Y139 PolarHBondContact O-N 3.08Å; L137-F144 VanDerWaalsContact O-CA 3.26Å; L137-F144 WeakPolarHBondContact O-CA 3.43Å; L137-S145 WeakPolarHBondContact CB-O 3.33Å; L137-S145 PolarHBondContact N-O 2.83Å; L137-S145 PolarHBondContact O-N 2.81Å; L137-D147 HydrophobicContact CD1-CB 3.62Å; L137-D147 HydrophobicContact CG-CB 4.14Å
138P96.5Very high95.4Very high0 Ų023.8 Ų23.80%012%0.12CC..EExtended strand (participates in β ladder)trans-75.579.716733.3-35000109.3L6 K7 V10 C44 F136L6-P138 HydrophobicContact CB-CB 4.01Å; K7-P138 WeakPolarHBondContact CE-O 3.38Å; K7-P138 HydrophobicContact CG-CB 4.06Å; K7-P138 HydrophobicContact CG-CG 4.43Å; K7-P138 VanDerWaalsContact CG-O 3.28Å; K7-P138 WeakPolarHBondContact CG-O 3.35Å; K7-P138 PolarHBondContact NZ-O 2.94Å; V10-P138 HydrophobicContact CB-CB 4.41Å; V10-P138 HydrophobicContact CB-CG 3.97Å; V10-P138 HydrophobicContact CG1-CG 4.08Å; V10-P138 HydrophobicContact CG2-CB 4.12Å; V10-P138 HydrophobicContact CG2-CG 4.08Å; C44-P138 HydrophobicContact CB-CG 4.1Å; F136-P138 HydrophobicContact CE2-CB 4.44Å
139Y96.8Very high95Very high33 Ų3325.9 Ų25.913%0.12913%0.134CC..EExtended strand (participates in β ladder)trans-62.2-47-174.1-173.5-110.4000111.6K7 L137 V143 D261 M548 I571K7-Y139 WeakPolarHBondContact CE-O 3.03Å; K7-Y139 PolarHBondContact NZ-O 2.84Å; L137-Y139 PolarHBondContact O-N 3.08Å; Y139-V143 HydrophobicContact CD1-CB 4.47Å; Y139-V143 HydrophobicContact CD1-CG1 4.11Å; Y139-V143 PolarHBondContact N-O 3.49Å; Y139-D261 WeakPolarHBondContact CE2-OD2 3.32Å; Y139-D261 PolarHBondContact OH-OD1 2.75Å; Y139-M548 HydrophobicContact CD1-CE 3.95Å; Y139-M548 HydrophobicContact CE1-CE 3.74Å; Y139-I571 HydrophobicContact CD1-CD1 4.26Å; Y139-I571 HydrophobicContact CD1-CG1 4.06Å; Y139-I571 HydrophobicContact CE1-CG1 4.02Å; Y139-I571 HydrophobicContact CG-CG1 4.37Å
140E97.2Very high94.6Very high5 Ų526 Ų262%0.02314%0.14CC..EExtended strand (participates in β ladder)trans-135.8176170.4-57-172.2146.600110.4Q142 V143 Q249 E282 R291 M548 Y552E140-Q142 PolarHBondContact O-N 3.39Å; E140-V143 HydrophobicContact CB-CB 3.9Å; E140-V143 HydrophobicContact CB-CG2 4.12Å; E140-V143 HydrophobicContact CG-CB 4.21Å; E140-V143 HydrophobicContact CG-CG2 4.37Å; E140-V143 PolarHBondContact N-O 2.67Å; E140-V143 PolarHBondContact O-N 2.86Å; E140-V143 VanDerWaalsContact O-O 3.05Å; E140-V143 WeakPolarHBondContact OE2-CG2 3.35Å; E140-Q249 PolarHBondContact OE1-NE2 3.06Å; E140-E282 WeakPolarHBondContact CB-OE1 3.38Å; E140-R291 IonicContact OE1-CZ 3.81Å; E140-R291 IonicContact OE1-NE 2.68Å; E140-R291 IonicContact OE1-NH1 3.24Å; E140-R291 PolarHBondContact OE1-NH1 3.17Å; E140-R291 IonicContact OE2-CZ 2.73Å; E140-R291 IonicContact OE2-NE 3.73Å; E140-R291 IonicContact OE2-NH1 3.57Å; E140-R291 PolarHBondContact OE2-NH1 2.83Å; E140-R291 IonicContact OE2-NH2 3.53Å; E140-M548 HydrophobicContact CG-CE 4.32Å; E140-Y552 WeakPolarHBondContact CB-OH 3.39Å; E140-Y552 WeakPolarHBondContact OE2-CE2 3.29Å; E140-Y552 PolarHBondContact OE2-OH 2.99Å
141S95.3Very high94.3Very high26 Ų2620.8 Ų20.818%0.18212%0.117CC..THydrogen-bonded Turntrans-52.8-34.2175.843.10000114.1L6 E282 Y552L6-S141 WeakPolarHBondContact CG-O 3.4Å; L6-S141 PolarHBondContact N-O 2.89Å; S141-E282 WeakPolarHBondContact CB-OE1 3.21Å; S141-E282 PolarHBondContact N-OE1 3.26Å; S141-E282 PolarHBondContact N-OE2 2.96Å; S141-E282 PolarHBondContact OG-OE1 3.46Å; S141-Y552 PolarHBondContact OG-OH 2.94Å
142Q97.1Very high94.2Very high22 Ų2217 Ų1710%0.10310%0.1CC..THydrogen-bonded Turntrans-121.59.5177.5-59.2-172.4-12100114.1E140 Y552 T555 V564 L565 I566E140-Q142 PolarHBondContact O-N 3.39Å; Q142-Y552 HydrophobicContact CB-CD1 4.3Å; Q142-Y552 HydrophobicContact CB-CE1 3.67Å; Q142-Y552 HydrophobicContact CB-CE2 4.23Å; Q142-Y552 HydrophobicContact CG-CD1 4.07Å; Q142-Y552 HydrophobicContact CG-CE1 3.58Å; Q142-Y552 PolarHBondContact N-OH 2.95Å; Q142-T555 PolarHBondContact NE2-OG1 3.32Å; Q142-V564 PolarHBondContact NE2-O 3.12Å; Q142-L565 HydrophobicContact CB-CD2 4.09Å; Q142-L565 HydrophobicContact CG-CD2 4.34Å; Q142-L565 WeakPolarHBondContact O-CA 3.5Å; Q142-I566 PolarHBondContact O-N 2.71Å
143V98.4Very high94.1Very high0 Ų017.4 Ų17.40%010%0.101CC..EExtended strand (participates in β ladder)trans-125130.9-177.2-174.30000110.9Y139 E140 M548 Y552 I566 I571Y139-V143 HydrophobicContact CD1-CB 4.47Å; Y139-V143 HydrophobicContact CD1-CG1 4.11Å; Y139-V143 PolarHBondContact N-O 3.49Å; E140-V143 HydrophobicContact CB-CB 3.9Å; E140-V143 HydrophobicContact CB-CG2 4.12Å; E140-V143 HydrophobicContact CG-CB 4.21Å; E140-V143 HydrophobicContact CG-CG2 4.37Å; E140-V143 PolarHBondContact N-O 2.67Å; E140-V143 PolarHBondContact O-N 2.86Å; E140-V143 VanDerWaalsContact O-O 3.05Å; E140-V143 WeakPolarHBondContact OE2-CG2 3.35Å; V143-M548 HydrophobicContact CB-CE 4.31Å; V143-M548 HydrophobicContact CG1-CE 4.03Å; V143-M548 HydrophobicContact CG1-CG 3.94Å; V143-M548 HydrophobicContact CG1-SD 4.21Å; V143-M548 HydrophobicContact CG2-CB 4Å; V143-M548 HydrophobicContact CG2-CE 3.92Å; V143-M548 HydrophobicContact CG2-CG 3.9Å; V143-Y552 HydrophobicContact CG2-CE2 3.97Å; V143-I566 VanDerWaalsContact CA-O 3.23Å; V143-I566 WeakPolarHBondContact CA-O 3.2Å; V143-I566 HydrophobicContact CG2-CG2 4.05Å; V143-I571 HydrophobicContact CG1-CD1 3.94Å
144F98.1Very high94Very high0 Ų018 Ų180%010%0.104CC..EExtended strand (participates in β ladder)trans-122.2152.8173.868.3-84.5000112.1L6 F136 L137 L146 L178 I536 F538 I566 G567 S568L6-F144 HydrophobicContact CD1-CB 4.2Å; F136-F144 HydrophobicContact CD2-CB 3.88Å; F136-F144 HydrophobicContact CE2-CB 4.43Å; L137-F144 VanDerWaalsContact O-CA 3.26Å; L137-F144 WeakPolarHBondContact O-CA 3.43Å; F144-L146 HydrophobicContact CD2-CD2 4.22Å; F144-L146 HydrophobicContact CE2-CD2 4.38Å; F144-L178 HydrophobicContact CD1-CD2 3.68Å; F144-L178 HydrophobicContact CD2-CD2 3.87Å; F144-L178 HydrophobicContact CE1-CD2 3.48Å; F144-L178 VanDerWaalsContact CE1-CD2 3.48Å; F144-L178 HydrophobicContact CE2-CD2 3.67Å; F144-L178 HydrophobicContact CG-CD2 3.87Å; F144-L178 HydrophobicContact CZ-CD2 3.47Å; F144-L178 VanDerWaalsContact CZ-CD2 3.47Å; F144-I536 HydrophobicContact CE1-CG2 4.02Å; F144-I536 HydrophobicContact CZ-CG2 4.2Å; F144-F538 AromaticContact CE2-CD2 3.91Å; F144-F538 HydrophobicContact CE2-CD2 3.91Å; F144-F538 HydrophobicContact CE2-CE2 4.49Å; F144-F538 HydrophobicContact CZ-CD2 4.15Å; F144-I566 WeakPolarHBondContact CD1-O 3.28Å; F144-I566 PolarHBondContact N-O 3.45Å; F144-I566 VanDerWaalsContact N-O 3.07Å; F144-G567 VanDerWaalsContact CE1-N 3.31Å; F144-G567 WeakPolarHBondContact O-CA 3.43Å; F144-S568 PolarHBondContact O-N 3.12Å
145S97.6Very high93.8Very high6 Ų618.4 Ų18.44%0.04211%0.106CC..EExtended strand (participates in β ladder)trans-130.6140.9175178.10000109.6L137 D147 S568 S569L137-S145 WeakPolarHBondContact CB-O 3.33Å; L137-S145 PolarHBondContact N-O 2.83Å; L137-S145 PolarHBondContact O-N 2.81Å; S145-D147 VanDerWaalsContact C-N 3.28Å; S145-D147 PolarHBondContact OG-N 3.28Å; S145-S568 WeakPolarHBondContact CA-O 3.49Å; S145-S569 PolarHBondContact OG-O 3.46Å
146L95.8Very high93.7Very high7 Ų719 Ų194%0.03711%0.107CC..  trans-87-3.7173.5-56.4-171.2000113.3F136 F144 D148 L171 Q174 I175 F538 S568F136-L146 HydrophobicContact CB-CD2 3.71Å; F144-L146 HydrophobicContact CD2-CD2 4.22Å; F144-L146 HydrophobicContact CE2-CD2 4.38Å; L146-D148 VanDerWaalsContact C-N 3.35Å; L146-D148 PolarHBondContact O-N 2.95Å; L146-L171 HydrophobicContact CB-CD2 4.47Å; L146-L171 HydrophobicContact CD1-CB 4.36Å; L146-L171 HydrophobicContact CD1-CD2 3.61Å; L146-Q174 HydrophobicContact CD1-CB 4.06Å; L146-Q174 HydrophobicContact CD2-CB 3.7Å; L146-Q174 HydrophobicContact CG-CB 4.38Å; L146-Q174 PolarHBondContact O-NE2 3.14Å; L146-Q174 VanDerWaalsContact O-NE2 3.16Å; L146-I175 HydrophobicContact CD1-CG1 4.13Å; L146-F538 HydrophobicContact CD1-CD2 4.38Å; L146-F538 HydrophobicContact CD1-CE2 3.37Å; L146-F538 HydrophobicContact CD1-CZ 3.59Å; L146-F538 HydrophobicContact CG-CE2 3.86Å; L146-F538 HydrophobicContact CG-CZ 4.46Å; L146-S568 PolarHBondContact N-O 3.19Å
147D92.6Very high93.3Very high34 Ų3419.9 Ų19.918%0.18211%0.113CC..  trans59.438.8177.7-156.336.5000115.4R39 L137 S145 S569R39-D147 VanDerWaalsContact CZ-CG 3.46Å; R39-D147 IonicContact CZ-OD1 3.05Å; R39-D147 IonicContact CZ-OD2 3.37Å; R39-D147 VanDerWaalsContact CZ-OD2 3.23Å; R39-D147 IonicContact NE-OD2 3.67Å; R39-D147 IonicContact NH1-OD1 3.72Å; R39-D147 PolarHBondContact NH1-OD1 3.17Å; R39-D147 IonicContact NH1-OD2 2.8Å; R39-D147 PolarHBondContact NH1-OD2 2.92Å; R39-D147 IonicContact NH2-OD1 3.38Å; R39-D147 PolarHBondContact NH2-OD1 3.46Å; L137-D147 HydrophobicContact CD1-CB 3.62Å; L137-D147 HydrophobicContact CG-CB 4.14Å; S145-D147 VanDerWaalsContact C-N 3.28Å; S145-D147 PolarHBondContact OG-N 3.28Å; D147-S569 PolarHBondContact N-O 3.38Å
148D90.5Very high92.8Very high35 Ų3523.2 Ų23.219%0.18714%0.135CC..  trans-123.388.4177.2-175.413.3000111.6L146 S150 S151 S569 H570L146-D148 VanDerWaalsContact C-N 3.35Å; L146-D148 PolarHBondContact O-N 2.95Å; D148-S150 PolarHBondContact O-N 2.96Å; D148-S150 WeakPolarHBondContact OD1-CB 3.45Å; D148-S150 PolarHBondContact OD1-N 3.04Å; D148-S150 PolarHBondContact OD1-OG 3Å; D148-S151 VanDerWaalsContact CG-OG 3.26Å; D148-S151 WeakPolarHBondContact O-CB 3.35Å; D148-S151 PolarHBondContact OD1-N 3.49Å; D148-S151 WeakPolarHBondContact OD2-CB 3.4Å; D148-S151 PolarHBondContact OD2-N 2.93Å; D148-S151 PolarHBondContact OD2-OG 3.43Å; D148-S569 PolarHBondContact N-O 2.92Å; D148-S569 VanDerWaalsContact O-CB 3.29Å; D148-S569 WeakPolarHBondContact O-CB 3.22Å; D148-H570 PolarHBondContact O-ND1 3.45Å; D148-H570 VanDerWaalsContact O-ND1 3.15Å
149P89Confident92.1Very high73 Ų7325.4 Ų25.447%0.47415%0.148SC..THydrogen-bonded Turntrans-59.2-33169.6-25.836.9000113.6S151 L152 H570P149-S151 PolarHBondContact O-N 3.47Å; P149-L152 PolarHBondContact O-N 3.15Å; P149-H570 WeakPolarHBondContact CA-ND1 2.98Å; P149-H570 HydrophobicContact CG-CB 4.42Å
150S88.3Confident90.4Very high59 Ų5927.5 Ų27.541%0.41318%0.18SC..THydrogen-bonded Turntrans-69.5-22.5-174.878.80000113.3D148 L152 H153 L154D148-S150 PolarHBondContact O-N 2.96Å; D148-S150 WeakPolarHBondContact OD1-CB 3.45Å; D148-S150 PolarHBondContact OD1-N 3.04Å; D148-S150 PolarHBondContact OD1-OG 3Å; S150-L152 PolarHBondContact O-N 3.38Å; S150-L152 VanDerWaalsContact O-N 3.13Å; S150-H153 PolarHBondContact O-N 2.78Å; S150-L154 PolarHBondContact O-N 3.36Å
151S88Confident88.7Confident0 Ų031 Ų310%020%0.199CC..Hα-helixtrans-49.5-37.4175.5-87.30000113.9D148 P149 F155 S569D148-S151 VanDerWaalsContact CG-OG 3.26Å; D148-S151 WeakPolarHBondContact O-CB 3.35Å; D148-S151 PolarHBondContact OD1-N 3.49Å; D148-S151 WeakPolarHBondContact OD2-CB 3.4Å; D148-S151 PolarHBondContact OD2-N 2.93Å; D148-S151 PolarHBondContact OD2-OG 3.43Å; P149-S151 PolarHBondContact O-N 3.47Å; S151-F155 WeakPolarHBondContact O-CB 3.47Å; S151-F155 PolarHBondContact O-N 3.42Å; S151-S569 VanDerWaalsContact CB-CB 3.49Å
152L91.1Very high87.4Confident2 Ų233.5 Ų33.51%0.0123%0.228CC..Hα-helixtrans-64.3-47.8179.1-173.7158.8000110.5P149 S150 F155 Y156 G541 F577 D580 L584P149-L152 PolarHBondContact O-N 3.15Å; S150-L152 PolarHBondContact O-N 3.38Å; S150-L152 VanDerWaalsContact O-N 3.13Å; L152-F155 PolarHBondContact O-N 3.26Å; L152-Y156 HydrophobicContact CD2-CD2 4.32Å; L152-Y156 HydrophobicContact CG-CD2 4.04Å; L152-Y156 HydrophobicContact CG-CE2 4.39Å; L152-Y156 VanDerWaalsContact O-CD2 3.27Å; L152-Y156 WeakPolarHBondContact O-CD2 3.43Å; L152-Y156 PolarHBondContact O-N 3.37Å; L152-G541 WeakPolarHBondContact CD1-O 3.25Å; L152-F577 HydrophobicContact CD1-CD2 4.11Å; L152-F577 HydrophobicContact CD1-CE2 4.03Å; L152-D580 HydrophobicContact CD1-CB 3.89Å; L152-D580 HydrophobicContact CD2-CB 4.09Å; L152-D580 HydrophobicContact CG-CB 4.5Å; L152-L584 HydrophobicContact CD2-CD1 4.05Å
153H91.1Very high86.6Confident26 Ų2635.6 Ų35.612%0.1224%0.24CC..Hα-helixtrans-62.5-51.8176.8-176.5-74.7000110.8S150 F155 Y156 S157 K583 L586S150-H153 PolarHBondContact O-N 2.78Å; H153-F155 PolarHBondContact O-N 3.08Å; H153-Y156 PolarHBondContact O-N 3.29Å; H153-S157 PolarHBondContact CE1-OG 3.14Å; H153-S157 WeakPolarHBondContact O-CA 3.24Å; H153-S157 WeakPolarHBondContact O-CB 3.28Å; H153-S157 PolarHBondContact O-N 2.91Å; H153-K583 PolarHBondContact CD2-O 3.28Å; H153-K583 VanDerWaalsContact CD2-O 3.28Å; H153-K583 PolarHBondContact NE2-O 2.99Å; H153-L586 PolarHBondContact NE2-O 3.15Å
154L89.5Confident85.9Confident37 Ų3738 Ų3819%0.19425%0.251CS..Hα-helixtrans-60.5-31-179-69173.8000113.7S150 D161 N163 M167S150-L154 PolarHBondContact O-N 3.36Å; L154-D161 HydrophobicContact CD2-CB 4.28Å; L154-N163 HydrophobicContact CD2-CB 4.44Å; L154-M167 HydrophobicContact CB-CE 4.01Å; L154-M167 HydrophobicContact CB-CG 4.45Å; L154-M167 HydrophobicContact CD1-CB 4.03Å; L154-M167 HydrophobicContact CD1-CG 4.03Å
155F89.8Confident85.5Confident10 Ų1041.4 Ų41.44%0.04427%0.269CS..Hα-helixtrans-82.8-41.8-178-168-89.3000113S151 L152 H153 K164 M167 M168 E196 I540S151-F155 WeakPolarHBondContact O-CB 3.47Å; S151-F155 PolarHBondContact O-N 3.42Å; L152-F155 PolarHBondContact O-N 3.26Å; H153-F155 PolarHBondContact O-N 3.08Å; F155-K164 PolarHBondContact O-NZ 3.09Å; F155-K164 VanDerWaalsContact O-NZ 3.15Å; F155-M167 HydrophobicContact CB-CE 4.05Å; F155-M167 HydrophobicContact CD2-CE 4.07Å; F155-M168 HydrophobicContact CD2-CE 4.24Å; F155-M168 HydrophobicContact CE2-CE 3.9Å; F155-E196 HydrophobicContact CE1-CB 4.37Å; F155-E196 HydrophobicContact CE2-CB 3.67Å; F155-E196 HydrophobicContact CZ-CB 3.46Å; F155-E196 VanDerWaalsContact CZ-CB 3.46Å; F155-E196 HydrophobicContact CZ-CG 4.38Å; F155-I540 HydrophobicContact CB-CG2 4.14Å; F155-I540 HydrophobicContact CD1-CG2 3.99Å; F155-I540 HydrophobicContact CD2-CD1 4.42Å; F155-I540 HydrophobicContact CD2-CG2 3.66Å; F155-I540 HydrophobicContact CE1-CD1 4.45Å; F155-I540 HydrophobicContact CE1-CG2 4.25Å; F155-I540 HydrophobicContact CE2-CD1 3.65Å; F155-I540 HydrophobicContact CE2-CG2 3.96Å; F155-I540 HydrophobicContact CG-CG2 3.66Å; F155-I540 HydrophobicContact CZ-CD1 3.65Å; F155-I540 HydrophobicContact CZ-CG2 4.23Å
156Y91.3Very high85.1Confident18 Ų1849.3 Ų49.37%0.07130%0.298CS..Hα-helixtrans-106.4-13.2-173.2-58.6-74.9000114.7L152 H153 D233 R234 H443 L444 I540L152-Y156 HydrophobicContact CD2-CD2 4.32Å; L152-Y156 HydrophobicContact CG-CD2 4.04Å; L152-Y156 HydrophobicContact CG-CE2 4.39Å; L152-Y156 VanDerWaalsContact O-CD2 3.27Å; L152-Y156 WeakPolarHBondContact O-CD2 3.43Å; L152-Y156 PolarHBondContact O-N 3.37Å; H153-Y156 PolarHBondContact O-N 3.29Å; Y156-D233 WeakPolarHBondContact OH-CB 3.34Å; Y156-R234 HydrophobicContact CE2-CB 4.24Å; Y156-R234 PolarHBondContact OH-N 3.16Å; Y156-H443 WeakPolarHBondContact O-CB 3.24Å; Y156-L444 HydrophobicContact CD1-CB 4.26Å; Y156-L444 HydrophobicContact CD1-CD1 4.07Å; Y156-L444 HydrophobicContact CD1-CG 3.79Å; Y156-L444 HydrophobicContact CD2-CD1 4.06Å; Y156-L444 HydrophobicContact CD2-CG 4.05Å; Y156-L444 HydrophobicContact CE1-CB 4.33Å; Y156-L444 HydrophobicContact CE1-CG 3.94Å; Y156-L444 HydrophobicContact CE2-CG 4.24Å; Y156-L444 HydrophobicContact CG-CD1 3.73Å; Y156-L444 HydrophobicContact CG-CG 3.86Å; Y156-I540 PolarHBondContact OH-O 3.06Å
157S89.6Confident84.8Confident20 Ų2049.4 Ų49.414%0.1430%0.298CS..  trans-63.9133.9-175.6-175.30000110.9H153 V159 L584H153-S157 PolarHBondContact CE1-OG 3.14Å; H153-S157 WeakPolarHBondContact O-CA 3.24Å; H153-S157 WeakPolarHBondContact O-CB 3.28Å; H153-S157 PolarHBondContact O-N 2.91Å; S157-V159 PolarHBondContact O-N 2.84Å; S157-V159 PolarHBondContact OG-N 3.31Å; S157-V159 VanDerWaalsContact OG-N 3.09Å; S157-L584 WeakPolarHBondContact CB-O 3.4Å; S157-L584 PolarHBondContact OG-O 3.44Å
158P85.3Confident84.7Confident74 Ų7448 Ų4848%0.48129%0.29SS..SBendtrans-71.4-18.1169.532.8-37.5000112.1G160P158-G160 PolarHBondContact O-N 2.94Å
159V80.8Confident84.8Confident47 Ų4750.6 Ų50.629%0.28530%0.302SS..SBendtrans-86.696.6-179.2-170.30000107.4S157 D161 D587S157-V159 PolarHBondContact O-N 2.84Å; S157-V159 PolarHBondContact OG-N 3.31Å; S157-V159 VanDerWaalsContact OG-N 3.09Å; V159-D161 PolarHBondContact O-N 3.16Å; V159-D587 VanDerWaalsContact CG1-OD1 3.22Å; V159-D587 WeakPolarHBondContact CG1-OD1 3.49Å
160G62.6Low85Confident76 Ų7650.3 Ų50.378%0.78430%0.299SS*.  trans-69.1124.9-172.600000112.8P158P158-G160 PolarHBondContact O-N 2.94Å
161D61.7Low85.3Confident79 Ų7947.6 Ų47.642%0.42228%0.279SS..  trans-100.51.9175.8-171.231.4000113L154 V159 N163L154-D161 HydrophobicContact CD2-CB 4.28Å; V159-D161 PolarHBondContact O-N 3.16Å; D161-N163 PolarHBondContact O-N 3.47Å; D161-N163 PolarHBondContact O-ND2 3.04Å; D161-N163 PolarHBondContact OD2-ND2 3.39Å
162G66.4Low85.7Confident78 Ų7847.6 Ų47.680%0.80428%0.279SS*.SBendtrans63.2-3.6-176.900000115.2
163N80.8Confident85.8Confident67 Ų6748.5 Ų48.536%0.35828%0.284SS..  trans-93.61.6-176.8-73.9-39.1000114L154 D161 D165 R166 M167L154-N163 HydrophobicContact CD2-CB 4.44Å; D161-N163 PolarHBondContact O-N 3.47Å; D161-N163 PolarHBondContact O-ND2 3.04Å; D161-N163 PolarHBondContact OD2-ND2 3.39Å; N163-D165 VanDerWaalsContact C-N 3.34Å; N163-D165 PolarHBondContact O-N 2.75Å; N163-R166 PolarHBondContact O-N 2.77Å; N163-M167 PolarHBondContact O-N 3.5Å
164K85.1Confident86.1Confident50 Ų5048.3 Ų48.322%0.21728%0.283CS..Hα-helixtrans-59.5-43.3-177.1-167.6176.4-171.6173.90112.2F155 M167 M168 E196F155-K164 PolarHBondContact O-NZ 3.09Å; F155-K164 VanDerWaalsContact O-NZ 3.15Å; K164-M167 HydrophobicContact CG-CE 3.99Å; K164-M167 PolarHBondContact O-N 3.46Å; K164-M168 HydrophobicContact CD-CE 4.31Å; K164-M168 HydrophobicContact CG-CE 4.13Å; K164-M168 WeakPolarHBondContact O-CG 3.45Å; K164-M168 PolarHBondContact O-N 3.11Å; K164-E196 WeakPolarHBondContact CE-OE1 3.32Å; K164-E196 IonicContact NZ-OE1 3.91Å; K164-E196 PolarHBondContact NZ-OE1 2.81Å; K164-E196 IonicContact NZ-OE2 2.85Å
165D88.5Confident86.5Confident71 Ų7146.6 Ų46.638%0.3827%0.274SS..Hα-helixtrans-61.5-47.3-179.9-68.38.6000111.3N163 M167 M168 E169 R199N163-D165 VanDerWaalsContact C-N 3.34Å; N163-D165 PolarHBondContact O-N 2.75Å; D165-M167 VanDerWaalsContact C-N 3.31Å; D165-M167 PolarHBondContact O-N 2.79Å; D165-M168 WeakPolarHBondContact O-CB 3.3Å; D165-M168 PolarHBondContact O-N 3.18Å; D165-M168 VanDerWaalsContact O-N 3.17Å; D165-E169 WeakPolarHBondContact O-CG 3.33Å; D165-E169 PolarHBondContact O-N 3.16Å; D165-R199 IonicContact OD1-CZ 2.71Å; D165-R199 IonicContact OD1-NH1 2.82Å; D165-R199 PolarHBondContact OD1-NH1 3.5Å; D165-R199 IonicContact OD1-NH2 3.75Å; D165-R199 PolarHBondContact OD1-NH2 2.64Å; D165-R199 IonicContact OD2-CZ 3.18Å; D165-R199 IonicContact OD2-NH1 2.69Å; D165-R199 IonicContact OD2-NH2 2.99Å; D165-R199 PolarHBondContact OD2-NH2 3.41Å
166R88.6Confident86.8Confident173 Ų17346.1 Ų46.165%0.65327%0.271SS*.Hα-helixtrans-62.7-38.7176.7-177.5178.8172.5-157.6-8.2112.2N163 T170N163-R166 PolarHBondContact O-N 2.77Å; R166-T170 WeakPolarHBondContact O-CB 3.5Å; R166-T170 PolarHBondContact O-N 3.44Å; R166-T170 PolarHBondContact O-OG1 3.47Å
167M90.1Very high87Confident9 Ų945.2 Ų45.24%0.04427%0.268CS..Hα-helixtrans-63.4-45.8174.5171.6-81.8-69.500110.4L154 F155 N163 K164 D165 E169 T170 L171L154-M167 HydrophobicContact CB-CE 4.01Å; L154-M167 HydrophobicContact CB-CG 4.45Å; L154-M167 HydrophobicContact CD1-CB 4.03Å; L154-M167 HydrophobicContact CD1-CG 4.03Å; F155-M167 HydrophobicContact CB-CE 4.05Å; F155-M167 HydrophobicContact CD2-CE 4.07Å; N163-M167 PolarHBondContact O-N 3.5Å; K164-M167 HydrophobicContact CG-CE 3.99Å; K164-M167 PolarHBondContact O-N 3.46Å; D165-M167 VanDerWaalsContact C-N 3.31Å; D165-M167 PolarHBondContact O-N 2.79Å; M167-E169 PolarHBondContact O-N 2.81Å; M167-T170 WeakPolarHBondContact O-CB 3.4Å; M167-T170 PolarHBondContact O-N 2.78Å; M167-T170 VanDerWaalsContact O-N 3.11Å; M167-L171 HydrophobicContact CG-CD1 4.42Å; M167-L171 HydrophobicContact CG-CG 4.44Å; M167-L171 WeakPolarHBondContact O-CG 3.23Å; M167-L171 PolarHBondContact O-N 3.32Å; M167-L171 HydrophobicContact SD-CD1 3.31Å; M167-L171 WeakPolarHBondContact SD-CD1 3.43Å; M167-L171 HydrophobicContact SD-CG 3.86Å
168M91.8Very high87.3Confident4 Ų444.3 Ų44.32%0.0226%0.261CS..Hα-helixtrans-60.1-44.2176.1-70.8-172.1177.600112.9F155 K164 D165 T170 L171 A172 E196 R199 L200F155-M168 HydrophobicContact CD2-CE 4.24Å; F155-M168 HydrophobicContact CE2-CE 3.9Å; K164-M168 HydrophobicContact CD-CE 4.31Å; K164-M168 HydrophobicContact CG-CE 4.13Å; K164-M168 WeakPolarHBondContact O-CG 3.45Å; K164-M168 PolarHBondContact O-N 3.11Å; D165-M168 WeakPolarHBondContact O-CB 3.3Å; D165-M168 PolarHBondContact O-N 3.18Å; D165-M168 VanDerWaalsContact O-N 3.17Å; M168-T170 PolarHBondContact O-N 2.91Å; M168-L171 PolarHBondContact O-N 3.2Å; M168-A172 VanDerWaalsContact O-CB 3.23Å; M168-A172 WeakPolarHBondContact O-CB 3.39Å; M168-A172 PolarHBondContact O-N 3.28Å; M168-E196 HydrophobicContact CE-CB 3.81Å; M168-E196 HydrophobicContact CE-CG 4.25Å; M168-E196 WeakPolarHBondContact CE-OE2 3.47Å; M168-R199 HydrophobicContact SD-CB 4.41Å; M168-R199 HydrophobicContact SD-CG 4.03Å; M168-L200 HydrophobicContact CB-CD1 4.31Å
169E92.4Very high87.8Confident90 Ų9040.8 Ų40.842%0.42124%0.239SC..Hα-helixtrans-59-37.6175.1-74173.5-171.900112.2D165 M167 E173 R207D165-E169 WeakPolarHBondContact O-CG 3.33Å; D165-E169 PolarHBondContact O-N 3.16Å; M167-E169 PolarHBondContact O-N 2.81Å; E169-E173 PolarHBondContact O-N 3.16Å; E169-E173 VanDerWaalsContact O-N 3.16Å; E169-R207 PolarHBondContact O-NH1 3.27Å; E169-R207 PolarHBondContact O-NH2 3.49Å
170T91.9Very high88.5Confident67 Ų6738.8 Ų38.841%0.41123%0.227SC..Hα-helixtrans-70.5-50.1178-55.30000110.3R166 M167 M168 A172 E173 Q174R166-T170 WeakPolarHBondContact O-CB 3.5Å; R166-T170 PolarHBondContact O-N 3.44Å; R166-T170 PolarHBondContact O-OG1 3.47Å; M167-T170 WeakPolarHBondContact O-CB 3.4Å; M167-T170 PolarHBondContact O-N 2.78Å; M167-T170 VanDerWaalsContact O-N 3.11Å; M168-T170 PolarHBondContact O-N 2.91Å; T170-A172 VanDerWaalsContact C-N 3.28Å; T170-A172 PolarHBondContact O-N 3.34Å; T170-E173 PolarHBondContact O-N 3.1Å; T170-Q174 WeakPolarHBondContact O-CG 3.49Å; T170-Q174 PolarHBondContact O-N 3.39Å
171L94.7Very high90Very high1 Ų135.8 Ų35.81%0.00519%0.193CC..Hα-helixtrans-58.6-42.1176.7-63.8-177.4000111.4L146 M167 M168 E173 Q174 I175 L200 F538L146-L171 HydrophobicContact CB-CD2 4.47Å; L146-L171 HydrophobicContact CD1-CB 4.36Å; L146-L171 HydrophobicContact CD1-CD2 3.61Å; M167-L171 HydrophobicContact CG-CD1 4.42Å; M167-L171 HydrophobicContact CG-CG 4.44Å; M167-L171 WeakPolarHBondContact O-CG 3.23Å; M167-L171 PolarHBondContact O-N 3.32Å; M167-L171 HydrophobicContact SD-CD1 3.31Å; M167-L171 WeakPolarHBondContact SD-CD1 3.43Å; M167-L171 HydrophobicContact SD-CG 3.86Å; M168-L171 PolarHBondContact O-N 3.2Å; L171-E173 PolarHBondContact O-N 3.45Å; L171-Q174 PolarHBondContact O-N 2.89Å; L171-I175 WeakPolarHBondContact O-CB 3.21Å; L171-I175 WeakPolarHBondContact O-CD1 3.4Å; L171-I175 WeakPolarHBondContact O-CG1 3.23Å; L171-I175 PolarHBondContact O-N 2.91Å; L171-L200 HydrophobicContact CB-CD1 4.11Å; L171-F538 HydrophobicContact CD1-CE1 4.39Å; L171-F538 HydrophobicContact CD1-CZ 4.34Å; L171-F538 HydrophobicContact CD2-CZ 4.39Å
172A96.2Very high91.5Very high0 Ų032.6 Ų32.60%018%0.176CC..Hα-helixtrans-61.5-43.6179.200000112.4M168 T170 A176 L200 E203 V204 R207M168-A172 VanDerWaalsContact O-CB 3.23Å; M168-A172 WeakPolarHBondContact O-CB 3.39Å; M168-A172 PolarHBondContact O-N 3.28Å; T170-A172 VanDerWaalsContact C-N 3.28Å; T170-A172 PolarHBondContact O-N 3.34Å; A172-A176 WeakPolarHBondContact O-CB 3.47Å; A172-A176 PolarHBondContact O-N 3.42Å; A172-L200 HydrophobicContact CB-CD1 4.26Å; A172-E203 HydrophobicContact CB-CB 3.8Å; A172-E203 HydrophobicContact CB-CG 3.62Å; A172-V204 HydrophobicContact CB-CG2 3.89Å; A172-R207 HydrophobicContact CB-CG 4.26Å
173E94.9Very high92.7Very high22 Ų2232.1 Ų32.110%0.10315%0.152CC..Hα-helixtrans-61.8-49.9174.6-163.758.6-139.200111D107 E169 T170 L171 I175 A176 T177 R207 H211D107-E173 VanDerWaalsContact CG-CG 3.47Å; D107-E173 VanDerWaalsContact OD1-CG 3.24Å; D107-E173 WeakPolarHBondContact OD1-CG 3.31Å; D107-E173 WeakPolarHBondContact OD2-CG 3.29Å; E169-E173 PolarHBondContact O-N 3.16Å; E169-E173 VanDerWaalsContact O-N 3.16Å; T170-E173 PolarHBondContact O-N 3.1Å; L171-E173 PolarHBondContact O-N 3.45Å; E173-I175 VanDerWaalsContact C-N 3.32Å; E173-I175 PolarHBondContact O-N 2.98Å; E173-A176 CarbonylContact O-C 3.56Å; E173-A176 WeakPolarHBondContact O-CA 3.45Å; E173-A176 WeakPolarHBondContact O-CB 3.38Å; E173-A176 PolarHBondContact O-N 3.35Å; E173-T177 WeakPolarHBondContact O-CG2 3.48Å; E173-T177 PolarHBondContact O-N 2.89Å; E173-R207 WeakPolarHBondContact OE2-CD 3.32Å; E173-R207 WeakPolarHBondContact OE2-CG 3.34Å; E173-R207 IonicContact OE2-CZ 3.2Å; E173-R207 IonicContact OE2-NE 3.76Å; E173-R207 IonicContact OE2-NH1 3.64Å; E173-R207 PolarHBondContact OE2-NH1 2.98Å; E173-H211 IonicContact OE1-CD2 3.51Å; E173-H211 IonicContact OE1-CE1 3.47Å; E173-H211 IonicContact OE1-NE2 3.8Å; E173-H211 PolarHBondContact OE1-NE2 3.27Å
174Q95.8Very high93.3Very high22 Ų2229 Ų2910%0.10314%0.135CC..Hα-helixtrans-61.1-41.2-177.4-63.8177.3-72.300112A135 L146 T170 L171 A176 T177 L178A135-Q174 HydrophobicContact CB-CB 4.34Å; A135-Q174 HydrophobicContact CB-CG 3.85Å; A135-Q174 VanDerWaalsContact O-CG 3.32Å; A135-Q174 WeakPolarHBondContact O-CG 3.38Å; A135-Q174 PolarHBondContact O-NE2 3.47Å; L146-Q174 HydrophobicContact CD1-CB 4.06Å; L146-Q174 HydrophobicContact CD2-CB 3.7Å; L146-Q174 HydrophobicContact CG-CB 4.38Å; L146-Q174 PolarHBondContact O-NE2 3.14Å; L146-Q174 VanDerWaalsContact O-NE2 3.16Å; T170-Q174 WeakPolarHBondContact O-CG 3.49Å; T170-Q174 PolarHBondContact O-N 3.39Å; L171-Q174 PolarHBondContact O-N 2.89Å; Q174-A176 VanDerWaalsContact C-N 3.33Å; Q174-A176 PolarHBondContact O-N 2.81Å; Q174-T177 PolarHBondContact O-N 2.88Å; Q174-T177 PolarHBondContact O-OG1 3.31Å; Q174-L178 PolarHBondContact O-N 3.39Å; Q174-L178 VanDerWaalsContact O-N 3.16Å
175I97.6Very high93.7Very high0 Ų029.8 Ų29.80%014%0.137CC..Hα-helixtrans-63.1-39.3173.6-65.3162.9000110.9L146 L171 E173 L178 C179 V204 L229 F538L146-I175 HydrophobicContact CD1-CG1 4.13Å; L171-I175 WeakPolarHBondContact O-CB 3.21Å; L171-I175 WeakPolarHBondContact O-CD1 3.4Å; L171-I175 WeakPolarHBondContact O-CG1 3.23Å; L171-I175 PolarHBondContact O-N 2.91Å; E173-I175 VanDerWaalsContact C-N 3.32Å; E173-I175 PolarHBondContact O-N 2.98Å; I175-L178 WeakPolarHBondContact O-CB 3.44Å; I175-L178 PolarHBondContact O-N 3.01Å; I175-C179 PolarHBondContact O-N 3.46Å; I175-C179 PolarHBondContact O-SG 2.8Å; I175-C179 VanDerWaalsContact O-SG 3.33Å; I175-V204 HydrophobicContact CB-CG1 4.47Å; I175-V204 HydrophobicContact CB-CG2 4.28Å; I175-V204 HydrophobicContact CD1-CG2 3.91Å; I175-V204 HydrophobicContact CG2-CG1 3.84Å; I175-V204 HydrophobicContact CG2-CG2 4.27Å; I175-L229 HydrophobicContact CG2-CD1 4.46Å; I175-L229 HydrophobicContact CG2-CD2 3.79Å; I175-F538 HydrophobicContact CD1-CB 4.33Å; I175-F538 HydrophobicContact CD1-CD1 3.51Å; I175-F538 HydrophobicContact CD1-CD2 4Å; I175-F538 HydrophobicContact CD1-CE1 3.7Å; I175-F538 HydrophobicContact CD1-CE2 4.19Å; I175-F538 HydrophobicContact CD1-CG 3.65Å; I175-F538 HydrophobicContact CD1-CZ 4.05Å; I175-F538 HydrophobicContact CG1-CD1 4.47Å; I175-F538 HydrophobicContact CG1-CD2 4.1Å; I175-F538 HydrophobicContact CG1-CE2 4.31Å; I175-F538 HydrophobicContact CG1-CG 4.18Å
176A96.5Very high94Very high0 Ų026.7 Ų26.70%012%0.12CC..Hα-helixtrans-65.1-40.2175.300000111.9A172 E173 Q174 L178 C179 D180 R207 L208A172-A176 WeakPolarHBondContact O-CB 3.47Å; A172-A176 PolarHBondContact O-N 3.42Å; E173-A176 CarbonylContact O-C 3.56Å; E173-A176 WeakPolarHBondContact O-CA 3.45Å; E173-A176 WeakPolarHBondContact O-CB 3.38Å; E173-A176 PolarHBondContact O-N 3.35Å; Q174-A176 VanDerWaalsContact C-N 3.33Å; Q174-A176 PolarHBondContact O-N 2.81Å; A176-L178 VanDerWaalsContact C-N 3.29Å; A176-L178 PolarHBondContact O-N 2.99Å; A176-C179 WeakPolarHBondContact O-CB 3.44Å; A176-C179 PolarHBondContact O-N 2.74Å; A176-C179 VanDerWaalsContact O-N 3.1Å; A176-D180 PolarHBondContact O-N 2.89Å; A176-R207 HydrophobicContact CB-CB 3.65Å; A176-L208 HydrophobicContact CB-CD2 4.02Å; A176-L208 HydrophobicContact CB-CG 4.32Å
177T95.8Very high94.3Very high0 Ų019 Ų190%09%0.094CC..Hα-helixtrans-62.6-33.7175.873.30000113.1D107 N133 A135 E173 Q174 T181D107-T177 WeakPolarHBondContact OD1-CG2 3.36Å; N133-T177 HydrophobicContact CB-CG2 4.25Å; A135-T177 HydrophobicContact CB-CG2 4Å; A135-T177 PolarHBondContact N-OG1 2.84Å; A135-T177 VanDerWaalsContact N-OG1 3.12Å; E173-T177 WeakPolarHBondContact O-CG2 3.48Å; E173-T177 PolarHBondContact O-N 2.89Å; Q174-T177 PolarHBondContact O-N 2.88Å; Q174-T177 PolarHBondContact O-OG1 3.31Å; T177-T181 VanDerWaalsContact O-CB 3.26Å; T177-T181 WeakPolarHBondContact O-CB 3.42Å; T177-T181 PolarHBondContact O-N 3.37Å; T177-T181 PolarHBondContact O-OG1 3.19Å
178L96.9Very high94.6Very high0 Ų018.7 Ų18.70%09%0.093CC..Hα-helixtrans-61.4-49.6170.9170.769.4000110.8L6 F136 F144 Q174 I175 A176 D180 T181 L182 I536L6-L178 HydrophobicContact CD2-CD1 3.83Å; F136-L178 HydrophobicContact CD1-CB 3.84Å; F136-L178 HydrophobicContact CD1-CD1 4.3Å; F136-L178 HydrophobicContact CD2-CD1 4.04Å; F136-L178 VanDerWaalsContact CE1-CA 3.43Å; F136-L178 HydrophobicContact CE1-CB 3.88Å; F136-L178 HydrophobicContact CE1-CD1 3.86Å; F136-L178 HydrophobicContact CE2-CD1 3.54Å; F136-L178 HydrophobicContact CG-CB 4.32Å; F136-L178 HydrophobicContact CG-CD1 4.4Å; F136-L178 HydrophobicContact CZ-CB 4.36Å; F136-L178 HydrophobicContact CZ-CD1 3.44Å; F136-L178 VanDerWaalsContact CZ-CD1 3.44Å; F144-L178 HydrophobicContact CD1-CD2 3.68Å; F144-L178 HydrophobicContact CD2-CD2 3.87Å; F144-L178 HydrophobicContact CE1-CD2 3.48Å; F144-L178 VanDerWaalsContact CE1-CD2 3.48Å; F144-L178 HydrophobicContact CE2-CD2 3.67Å; F144-L178 HydrophobicContact CG-CD2 3.87Å; F144-L178 HydrophobicContact CZ-CD2 3.47Å; F144-L178 VanDerWaalsContact CZ-CD2 3.47Å; Q174-L178 PolarHBondContact O-N 3.39Å; Q174-L178 VanDerWaalsContact O-N 3.16Å; I175-L178 WeakPolarHBondContact O-CB 3.44Å; I175-L178 PolarHBondContact O-N 3.01Å; A176-L178 VanDerWaalsContact C-N 3.29Å; A176-L178 PolarHBondContact O-N 2.99Å; L178-D180 PolarHBondContact O-N 3.19Å; L178-T181 PolarHBondContact O-N 3.39Å; L178-L182 HydrophobicContact CD1-CD1 3.85Å; L178-L182 HydrophobicContact CD1-CG 4.34Å; L178-L182 HydrophobicContact CG-CD1 4.14Å; L178-L182 WeakPolarHBondContact O-CG 3.4Å; L178-L182 PolarHBondContact O-N 3.25Å; L178-I536 HydrophobicContact CD2-CG2 4.12Å
179C95.9Very high94.9Very high0 Ų018.9 Ų18.90%09%0.093CC..Hα-helixtrans-63.5-41.5179.3-62.70000111.6I175 A176 L182 K183 E184 L208I175-C179 PolarHBondContact O-N 3.46Å; I175-C179 PolarHBondContact O-SG 2.8Å; I175-C179 VanDerWaalsContact O-SG 3.33Å; A176-C179 WeakPolarHBondContact O-CB 3.44Å; A176-C179 PolarHBondContact O-N 2.74Å; A176-C179 VanDerWaalsContact O-N 3.1Å; C179-L182 CarbonylContact O-C 3.58Å; C179-L182 PolarHBondContact O-N 3.21Å; C179-K183 WeakPolarHBondContact O-CA 3.33Å; C179-K183 PolarHBondContact O-N 2.93Å; C179-E184 PolarHBondContact O-N 2.85Å; C179-L208 HydrophobicContact CB-CD2 3.39Å
180D94.1Very high95.1Very high6 Ų617 Ų173%0.0328%0.082CC..Hα-helixtrans-62.4-44.5174.7178.251.9000112.2K13 A176 L178 L182 K183 N215 M218K13-D180 IonicContact NZ-OD2 2.79Å; A176-D180 PolarHBondContact O-N 2.89Å; L178-D180 PolarHBondContact O-N 3.19Å; D180-L182 PolarHBondContact O-N 3.23Å; D180-K183 VanDerWaalsContact O-CD 3.29Å; D180-K183 WeakPolarHBondContact O-CD 3.26Å; D180-K183 WeakPolarHBondContact O-CE 3.11Å; D180-K183 PolarHBondContact O-N 2.99Å; D180-K183 IonicContact OD1-NZ 2.94Å; D180-K183 PolarHBondContact OD1-NZ 3.21Å; D180-K183 IonicContact OD2-NZ 3.65Å; D180-N215 PolarHBondContact OD1-ND2 2.78Å; D180-M218 HydrophobicContact CB-CE 3.64Å; D180-M218 WeakPolarHBondContact OD1-CE 3.38Å
181T93.8Very high95.2Very high12 Ų1215.5 Ų15.57%0.0747%0.069CC..Hα-helixtrans-59.9-36.8177.7-65.50000111.8V9 V10 K13 N133 F136 T177 L178 K183V9-T181 HydrophobicContact CG1-CG2 3.84Å; V10-T181 HydrophobicContact CG2-CG2 4.21Å; K13-T181 HydrophobicContact CD-CG2 3.99Å; K13-T181 PolarHBondContact NZ-OG1 3.12Å; N133-T181 PolarHBondContact O-OG1 3.5Å; N133-T181 VanDerWaalsContact O-OG1 3.07Å; F136-T181 HydrophobicContact CE1-CG2 4.46Å; F136-T181 HydrophobicContact CZ-CG2 4.27Å; T177-T181 VanDerWaalsContact O-CB 3.26Å; T177-T181 WeakPolarHBondContact O-CB 3.42Å; T177-T181 PolarHBondContact O-N 3.37Å; T177-T181 PolarHBondContact O-OG1 3.19Å; L178-T181 PolarHBondContact O-N 3.39Å; T181-K183 VanDerWaalsContact C-N 3.34Å
182L93.1Very high95Very high12 Ų1217.5 Ų17.56%0.0638%0.083CC..Hα-helixtrans-85-6.3176.1-66.4175.2000114L6 V9 L178 C179 D180 E184 K224 R534 L565L6-L182 HydrophobicContact CD2-CD1 4.17Å; L6-L182 HydrophobicContact CD2-CD2 3.86Å; L6-L182 HydrophobicContact CD2-CG 4.32Å; V9-L182 HydrophobicContact CG1-CD2 4.44Å; L178-L182 HydrophobicContact CD1-CD1 3.85Å; L178-L182 HydrophobicContact CD1-CG 4.34Å; L178-L182 HydrophobicContact CG-CD1 4.14Å; L178-L182 WeakPolarHBondContact O-CG 3.4Å; L178-L182 PolarHBondContact O-N 3.25Å; C179-L182 CarbonylContact O-C 3.58Å; C179-L182 PolarHBondContact O-N 3.21Å; D180-L182 PolarHBondContact O-N 3.23Å; L182-E184 VanDerWaalsContact C-N 3.25Å; L182-E184 HydrophobicContact CB-CB 4.44Å; L182-E184 HydrophobicContact CB-CG 3.75Å; L182-E184 PolarHBondContact O-N 3.38Å; L182-K224 PolarHBondContact O-NZ 2.87Å; L182-R534 PolarHBondContact O-NH1 2.89Å; L182-L565 HydrophobicContact CD1-CD1 3.38Å
183K92.6Very high94.5Very high69 Ų6921.4 Ų21.430%0.312%0.123SC..THydrogen-bonded Turntrans50.944-169.2-58.6-67.3168.8-1650112.1C179 D180 T181 G219 K224C179-K183 WeakPolarHBondContact O-CA 3.33Å; C179-K183 PolarHBondContact O-N 2.93Å; D180-K183 VanDerWaalsContact O-CD 3.29Å; D180-K183 WeakPolarHBondContact O-CD 3.26Å; D180-K183 WeakPolarHBondContact O-CE 3.11Å; D180-K183 PolarHBondContact O-N 2.99Å; D180-K183 IonicContact OD1-NZ 2.94Å; D180-K183 PolarHBondContact OD1-NZ 3.21Å; D180-K183 IonicContact OD2-NZ 3.65Å; T181-K183 VanDerWaalsContact C-N 3.34Å; K183-G219 PolarHBondContact O-N 3.4Å; K183-K224 PolarHBondContact O-NZ 2.72Å
184E92.9Very high93.9Very high0 Ų022 Ų220%013%0.13CC..  trans-103.1141.8176.3-65.9-62152.300110.7C179 L182 M218 K224 S227 R534C179-E184 PolarHBondContact O-N 2.85Å; L182-E184 VanDerWaalsContact C-N 3.25Å; L182-E184 HydrophobicContact CB-CB 4.44Å; L182-E184 HydrophobicContact CB-CG 3.75Å; L182-E184 PolarHBondContact O-N 3.38Å; E184-M218 WeakPolarHBondContact O-CG 3.48Å; E184-K224 IonicContact OE1-NZ 3.62Å; E184-K224 PolarHBondContact OE1-NZ 3.22Å; E184-K224 IonicContact OE2-NZ 2.97Å; E184-S227 WeakPolarHBondContact OE2-CB 3.34Å; E184-S227 PolarHBondContact OE2-OG 3.48Å; E184-R534 WeakPolarHBondContact OE1-CD 3.32Å; E184-R534 IonicContact OE1-CZ 3.6Å; E184-R534 IonicContact OE1-NE 2.85Å; E184-R534 IonicContact OE1-NH1 3.35Å; E184-R534 PolarHBondContact OE1-NH1 2.74Å
185Y94.4Very high93.6Very high67 Ų6729.4 Ų29.426%0.26317%0.165SC..  trans-126.376.2168.1-174.3-98.8000107.6L208 N209 K212 M218Y185-L208 HydrophobicContact CD2-CB 4.36Å; Y185-L208 HydrophobicContact CE2-CB 4.13Å; Y185-N209 PolarHBondContact OH-OD1 3.41Å; Y185-K212 HydrophobicContact CD2-CB 3.85Å; Y185-K212 HydrophobicContact CD2-CD 4.28Å; Y185-K212 HydrophobicContact CD2-CG 4.05Å; Y185-K212 HydrophobicContact CE2-CB 3.83Å; Y185-K212 HydrophobicContact CE2-CG 4.05Å; Y185-K212 HydrophobicContact CG-CD 4.5Å; Y185-M218 HydrophobicContact CD2-SD 4.33Å
186P94.9Very high93.3Very high6 Ų631.7 Ų31.74%0.03918%0.175CC..PPolyproline II helixtrans-76.6153.3-167.931.4-35.8000112.5I188 L208 S227 L229 I536P186-I188 PolarHBondContact O-N 3.5Å; P186-L208 HydrophobicContact CG-CD1 4.44Å; P186-S227 CarbonylContact C-O 3.59Å; P186-S227 WeakPolarHBondContact CA-O 3.19Å; P186-L229 HydrophobicContact CB-CB 3.97Å; P186-L229 HydrophobicContact CG-CB 3.69Å; P186-I536 HydrophobicContact CG-CD1 4.47Å
187A94.8Very high93.1Very high11 Ų1131.7 Ų31.79%0.09118%0.175CC..EExtended strand (participates in β ladder)trans-67.6118.4167.400000110S227 Q228 L229 F498 P504A187-S227 PolarHBondContact N-O 2.82Å; A187-Q228 HydrophobicContact CB-CG 4.23Å; A187-Q228 CarbonylContact O-C 3.59Å; A187-Q228 WeakPolarHBondContact O-CA 3.36Å; A187-L229 PolarHBondContact O-N 2.95Å; A187-F498 HydrophobicContact CB-CD1 4.08Å; A187-F498 HydrophobicContact CB-CE1 3.73Å; A187-P504 HydrophobicContact CB-CB 4.11Å; A187-P504 HydrophobicContact CB-CG 3.47Å; A187-P504 VanDerWaalsContact CB-CG 3.47Å
188I96.5Very high93.1Very high4 Ų433.1 Ų33.12%0.02119%0.187CC..EExtended strand (participates in β ladder)trans-89.2129.5-175.3-45.9177.2000110.8P186 A201 V204 Y205 L208 L229 F498 I499P186-I188 PolarHBondContact O-N 3.5Å; I188-A201 HydrophobicContact CG2-CB 4.13Å; I188-V204 HydrophobicContact CD1-CB 4.41Å; I188-V204 HydrophobicContact CD1-CG1 4.01Å; I188-Y205 HydrophobicContact CD1-CD2 3.94Å; I188-Y205 HydrophobicContact CD1-CG 4.33Å; I188-L208 HydrophobicContact CD1-CD1 3.79Å; I188-L208 HydrophobicContact CG1-CD1 4.32Å; I188-L229 WeakPolarHBondContact CA-O 2.99Å; I188-L229 HydrophobicContact CG1-CD2 4.36Å; I188-L229 HydrophobicContact CG2-CD2 4.37Å; I188-L229 HydrophobicContact CG2-CG 4.45Å; I188-F498 WeakPolarHBondContact O-CA 3.43Å; I188-I499 HydrophobicContact CB-CD1 3.7Å; I188-I499 HydrophobicContact CB-CG1 4.24Å; I188-I499 HydrophobicContact CD1-CD1 4.1Å; I188-I499 HydrophobicContact CG2-CD1 3.57Å; I188-I499 HydrophobicContact CG2-CG1 4.24Å; I188-I499 PolarHBondContact O-N 2.89Å; I188-I499 VanDerWaalsContact O-N 3.16Å
189R96.4Very high93Very high7 Ų738 Ų383%0.02621%0.205CC..EExtended strand (participates in β ladder)trans-128.4157.2172.3-5517472.6171.52.4109.6L229 L230 I231 L491 W496 P497 F498R189-L229 PolarHBondContact N-O 3.02Å; R189-L230 HydrophobicContact CB-CD2 3.68Å; R189-L230 HydrophobicContact CG-CD2 4.15Å; R189-L230 CarbonylContact O-C 3.54Å; R189-L230 WeakPolarHBondContact O-CA 3.46Å; R189-I231 PolarHBondContact O-N 3.16Å; R189-L491 PolarHBondContact NH2-O 3.06Å; R189-W496 VanDerWaalsContact CZ-O 3.26Å; R189-W496 PolarHBondContact NE-O 3.42Å; R189-W496 PolarHBondContact NH2-O 3.46Å; R189-P497 WeakPolarHBondContact CA-O 2.8Å; R189-P497 WeakPolarHBondContact CB-O 3.33Å; R189-F498 HydrophobicContact CG-CD1 3.41Å; R189-F498 VanDerWaalsContact CG-CD1 3.41Å; R189-F498 HydrophobicContact CG-CD2 4.39Å; R189-F498 HydrophobicContact CG-CE1 3.44Å; R189-F498 VanDerWaalsContact CG-CE1 3.44Å; R189-F498 HydrophobicContact CG-CE2 4.41Å; R189-F498 HydrophobicContact CG-CG 3.92Å; R189-F498 HydrophobicContact CG-CZ 3.97Å
190Y96.4Very high93Very high51 Ų5138 Ų3820%0.221%0.206CC..EExtended strand (participates in β ladder)trans-139.3155.4177.961.9-89.5000110.9S192 N197 A198 A201 I231 W496 P497 I499Y190-S192 PolarHBondContact O-N 2.91Å; Y190-N197 HydrophobicContact CD2-CB 4.31Å; Y190-A198 HydrophobicContact CD2-CB 3.99Å; Y190-A198 HydrophobicContact CE1-CB 4.2Å; Y190-A198 HydrophobicContact CE2-CB 3.55Å; Y190-A198 HydrophobicContact CG-CB 4.5Å; Y190-A201 HydrophobicContact CD1-CB 3.9Å; Y190-A201 HydrophobicContact CG-CB 4.21Å; Y190-I231 CarbonylContact C-O 3.52Å; Y190-I231 WeakPolarHBondContact CA-O 3.47Å; Y190-W496 WeakPolarHBondContact O-CA 3.33Å; Y190-P497 HydrophobicContact CD1-CG 4.43Å; Y190-P497 HydrophobicContact CD2-CG 4.28Å; Y190-P497 HydrophobicContact CE1-CG 3.84Å; Y190-P497 HydrophobicContact CE2-CG 3.66Å; Y190-P497 VanDerWaalsContact CZ-CG 3.42Å; Y190-P497 PolarHBondContact N-O 3.43Å; Y190-P497 WeakPolarHBondContact O-CD 3.28Å; Y190-I499 HydrophobicContact CD1-CG1 4.12Å; Y190-I499 HydrophobicContact CE1-CG1 4.25Å
191R94.9Very high93.1Very high36 Ų3637.7 Ų37.714%0.13620%0.204CC..  trans-70.4119173.1178.761.4-175.1-177.32110N197 I231 F236 W496R191-N197 PolarHBondContact O-ND2 3.36Å; R191-I231 PolarHBondContact N-O 3.47Å; R191-F236 HydrophobicContact CG-CD2 4.33Å; R191-W496 HydrophobicContact CB-CE3 4.18Å; R191-W496 HydrophobicContact CB-CH2 3.88Å; R191-W496 HydrophobicContact CB-CZ2 4.4Å; R191-W496 HydrophobicContact CB-CZ3 3.75Å; R191-W496 HydrophobicContact CG-CH2 4.41Å
192S91.1Very high93.2Very high42 Ų4240.8 Ų40.829%0.29422%0.218SC..THydrogen-bonded Turntrans-65.1142.2174.772.60000111.3Y190 K494 Q495Y190-S192 PolarHBondContact O-N 2.91Å; S192-K494 WeakPolarHBondContact CB-O 3.4Å; S192-K494 PolarHBondContact OG-O 2.88Å; S192-Q495 WeakPolarHBondContact CB-O 3.47Å; S192-Q495 PolarHBondContact N-O 3.48Å; S192-Q495 VanDerWaalsContact OG-CA 3.32Å; S192-Q495 WeakPolarHBondContact OG-CA 3.38Å; S192-Q495 PolarHBondContact OG-O 2.85Å
193G84.2Confident93.4Very high82 Ų8242 Ų4285%0.84522%0.223SC*.THydrogen-bonded Turntrans132.9-45172.100000112.6
194S83.8Confident93.6Very high35 Ų3538.7 Ų38.725%0.24521%0.208CC..  trans-93.5123.7170.4-178.90000109.7E196 N197S194-E196 PolarHBondContact O-N 3.36Å; S194-E196 PolarHBondContact OG-N 2.91Å; S194-N197 PolarHBondContact O-N 2.85Å
195E88.9Confident93.7Very high177 Ų17741.4 Ų41.483%0.82722%0.219SC*.Hα-helixtrans-61.3-30.5174.5-65.9-176.7173.800111.5N197 A198 R199E195-N197 VanDerWaalsContact C-N 3.29Å; E195-N197 PolarHBondContact O-N 3.34Å; E195-A198 WeakPolarHBondContact O-CB 3.4Å; E195-A198 PolarHBondContact O-N 2.87Å; E195-A198 VanDerWaalsContact O-N 3.16Å; E195-R199 PolarHBondContact O-N 3.17Å
196E90.9Very high93.8Very high49 Ų4942.6 Ų42.623%0.22923%0.227CC..Hα-helixtrans-66.4-30.4180-56-66.5-165.500112.6F155 K164 M168 S194 R199 L200F155-E196 HydrophobicContact CE1-CB 4.37Å; F155-E196 HydrophobicContact CE2-CB 3.67Å; F155-E196 HydrophobicContact CZ-CB 3.46Å; F155-E196 VanDerWaalsContact CZ-CB 3.46Å; F155-E196 HydrophobicContact CZ-CG 4.38Å; K164-E196 WeakPolarHBondContact CE-OE1 3.32Å; K164-E196 IonicContact NZ-OE1 3.91Å; K164-E196 PolarHBondContact NZ-OE1 2.81Å; K164-E196 IonicContact NZ-OE2 2.85Å; M168-E196 HydrophobicContact CE-CB 3.81Å; M168-E196 HydrophobicContact CE-CG 4.25Å; M168-E196 WeakPolarHBondContact CE-OE2 3.47Å; S194-E196 PolarHBondContact O-N 3.36Å; S194-E196 PolarHBondContact OG-N 2.91Å; E196-R199 PolarHBondContact O-N 2.92Å; E196-L200 PolarHBondContact O-N 2.78Å
197N93.6Very high93.8Very high0 Ų044.8 Ų44.80%024%0.235CC..Hα-helixtrans-66.1-43.2174.2-68.3-5.5000110.7Y190 R191 S194 E195 R199 A201 D233Y190-N197 HydrophobicContact CD2-CB 4.31Å; R191-N197 PolarHBondContact O-ND2 3.36Å; S194-N197 PolarHBondContact O-N 2.85Å; E195-N197 VanDerWaalsContact C-N 3.29Å; E195-N197 PolarHBondContact O-N 3.34Å; N197-R199 VanDerWaalsContact C-N 3.34Å; N197-A201 VanDerWaalsContact O-CB 3.25Å; N197-A201 WeakPolarHBondContact O-CB 3.35Å; N197-A201 PolarHBondContact O-N 3.11Å; N197-D233 PolarHBondContact ND2-OD1 3.28Å
198A94.7Very high93.8Very high30 Ų3044.3 Ų44.325%0.24823%0.231CC..Hα-helixtrans-65.4-41.1178.200000110.8Y190 E195 A201 E202Y190-A198 HydrophobicContact CD2-CB 3.99Å; Y190-A198 HydrophobicContact CE1-CB 4.2Å; Y190-A198 HydrophobicContact CE2-CB 3.55Å; Y190-A198 HydrophobicContact CG-CB 4.5Å; E195-A198 WeakPolarHBondContact O-CB 3.4Å; E195-A198 PolarHBondContact O-N 2.87Å; E195-A198 VanDerWaalsContact O-N 3.16Å; A198-A201 WeakPolarHBondContact O-CB 3.36Å; A198-A201 PolarHBondContact O-N 3.04Å; A198-E202 PolarHBondContact O-N 3.43Å
199R94.8Very high93.7Very high101 Ų10146.8 Ų46.838%0.38124%0.244SC..Hα-helixtrans-61.9-50.2176.9-172.2178.8-178-169.12.4112.4D165 M168 E195 E196 N197 A201 E202 E203D165-R199 IonicContact OD1-CZ 2.71Å; D165-R199 IonicContact OD1-NH1 2.82Å; D165-R199 PolarHBondContact OD1-NH1 3.5Å; D165-R199 IonicContact OD1-NH2 3.75Å; D165-R199 PolarHBondContact OD1-NH2 2.64Å; D165-R199 IonicContact OD2-CZ 3.18Å; D165-R199 IonicContact OD2-NH1 2.69Å; D165-R199 IonicContact OD2-NH2 2.99Å; D165-R199 PolarHBondContact OD2-NH2 3.41Å; M168-R199 HydrophobicContact SD-CB 4.41Å; M168-R199 HydrophobicContact SD-CG 4.03Å; E195-R199 PolarHBondContact O-N 3.17Å; E196-R199 PolarHBondContact O-N 2.92Å; N197-R199 VanDerWaalsContact C-N 3.34Å; R199-A201 VanDerWaalsContact C-N 3.25Å; R199-A201 PolarHBondContact O-N 2.88Å; R199-E202 PolarHBondContact O-N 2.84Å; R199-E203 PolarHBondContact O-N 2.74Å
200L95.8Very high93.6Very high1 Ų149 Ų491%0.00526%0.264CS..Hα-helixtrans-60.7-39.2175.917962.8000111.2M168 L171 A172 E196 E203 V204 I231 F538 I540M168-L200 HydrophobicContact CB-CD1 4.31Å; L171-L200 HydrophobicContact CB-CD1 4.11Å; A172-L200 HydrophobicContact CB-CD1 4.26Å; E196-L200 PolarHBondContact O-N 2.78Å; L200-E203 PolarHBondContact O-N 2.89Å; L200-V204 HydrophobicContact CD1-CG2 4.31Å; L200-V204 HydrophobicContact CG-CG2 4.4Å; L200-V204 VanDerWaalsContact O-CG2 3.24Å; L200-V204 WeakPolarHBondContact O-CG2 3.5Å; L200-V204 PolarHBondContact O-N 2.68Å; L200-I231 HydrophobicContact CD2-CD1 4.38Å; L200-I231 HydrophobicContact CD2-CG2 4.03Å; L200-I231 HydrophobicContact CG-CD1 4.11Å; L200-F538 HydrophobicContact CD2-CD1 4.21Å; L200-F538 HydrophobicContact CD2-CE1 3.94Å; L200-I540 HydrophobicContact CD2-CD1 3.59Å; L200-I540 HydrophobicContact CD2-CG1 3.9Å
201A96.6Very high93.4Very high0 Ų047.1 Ų47.10%026%0.256CS..Hα-helixtrans-61.2-45.917800000111.3I188 Y190 N197 A198 R199 V204 Y205 I231 I499I188-A201 HydrophobicContact CG2-CB 4.13Å; Y190-A201 HydrophobicContact CD1-CB 3.9Å; Y190-A201 HydrophobicContact CG-CB 4.21Å; N197-A201 VanDerWaalsContact O-CB 3.25Å; N197-A201 WeakPolarHBondContact O-CB 3.35Å; N197-A201 PolarHBondContact O-N 3.11Å; A198-A201 WeakPolarHBondContact O-CB 3.36Å; A198-A201 PolarHBondContact O-N 3.04Å; R199-A201 VanDerWaalsContact C-N 3.25Å; R199-A201 PolarHBondContact O-N 2.88Å; A201-V204 PolarHBondContact O-N 2.99Å; A201-Y205 PolarHBondContact O-N 3.49Å; A201-I231 VanDerWaalsContact CA-CD1 3.44Å; A201-I231 HydrophobicContact CB-CD1 3.73Å; A201-I499 HydrophobicContact CB-CD1 3.42Å; A201-I499 VanDerWaalsContact CB-CD1 3.42Å; A201-I499 HydrophobicContact CB-CG1 3.89Å; A201-I499 WeakPolarHBondContact O-CD1 3.31Å
202E96Very high93.4Very high76 Ų7648.2 Ų48.236%0.35526%0.262SS..Hα-helixtrans-61.3-43.1176.1-177.159.1-14600111.6A198 R199 V204 Y205 Q206 I499A198-E202 PolarHBondContact O-N 3.43Å; R199-E202 PolarHBondContact O-N 2.84Å; E202-V204 PolarHBondContact O-N 3Å; E202-Y205 WeakPolarHBondContact O-CB 2.85Å; E202-Y205 PolarHBondContact O-N 3.06Å; E202-Y205 VanDerWaalsContact O-N 3.14Å; E202-Q206 WeakPolarHBondContact O-CG 3.5Å; E202-Q206 PolarHBondContact O-N 2.56Å; E202-Q206 PolarHBondContact OE1-NE2 3.29Å; E202-I499 WeakPolarHBondContact OE2-CG2 3.28Å
203E96.4Very high93.5Very high37 Ų3749.8 Ų49.817%0.17328%0.278CS..Hα-helixtrans-61.8-44.7177.4-155.966.7-153.100111.3A172 R199 L200 Y205 Q206 R207A172-E203 HydrophobicContact CB-CB 3.8Å; A172-E203 HydrophobicContact CB-CG 3.62Å; R199-E203 PolarHBondContact O-N 2.74Å; L200-E203 PolarHBondContact O-N 2.89Å; E203-Y205 VanDerWaalsContact C-N 3.31Å; E203-Y205 PolarHBondContact O-N 2.94Å; E203-Q206 PolarHBondContact O-N 3.46Å; E203-R207 WeakPolarHBondContact O-CG 3.12Å; E203-R207 PolarHBondContact O-N 2.58Å; E203-R207 VanDerWaalsContact O-N 3.1Å; E203-R207 IonicContact OE1-NH2 3.61Å; E203-R207 PolarHBondContact OE1-NH2 3.5Å
204V97.3Very high93.8Very high0 Ų052 Ų520%027%0.27CS..Hα-helixtrans-60.7-41.5173.9175.90000110.8A172 I175 I188 L200 A201 E202 Q206 R207 L208 L229 I231A172-V204 HydrophobicContact CB-CG2 3.89Å; I175-V204 HydrophobicContact CB-CG1 4.47Å; I175-V204 HydrophobicContact CB-CG2 4.28Å; I175-V204 HydrophobicContact CD1-CG2 3.91Å; I175-V204 HydrophobicContact CG2-CG1 3.84Å; I175-V204 HydrophobicContact CG2-CG2 4.27Å; I188-V204 HydrophobicContact CD1-CB 4.41Å; I188-V204 HydrophobicContact CD1-CG1 4.01Å; L200-V204 HydrophobicContact CD1-CG2 4.31Å; L200-V204 HydrophobicContact CG-CG2 4.4Å; L200-V204 VanDerWaalsContact O-CG2 3.24Å; L200-V204 WeakPolarHBondContact O-CG2 3.5Å; L200-V204 PolarHBondContact O-N 2.68Å; A201-V204 PolarHBondContact O-N 2.99Å; E202-V204 PolarHBondContact O-N 3Å; V204-Q206 VanDerWaalsContact C-N 3.33Å; V204-Q206 PolarHBondContact O-N 3.29Å; V204-R207 PolarHBondContact O-N 3.13Å; V204-L208 HydrophobicContact CG1-CD1 3.89Å; V204-L208 HydrophobicContact CG1-CG 4.21Å; V204-L208 WeakPolarHBondContact O-CB 3.41Å; V204-L208 WeakPolarHBondContact O-CG 3.4Å; V204-L208 PolarHBondContact O-N 3.28Å; V204-L229 HydrophobicContact CG1-CD2 3.76Å; V204-I231 HydrophobicContact CG2-CD1 4.13Å
205Y95.8Very high94Very high58 Ų5852.6 Ų52.623%0.22727%0.271CS..Hα-helixtrans-59.4-44.4177.5-175.1-116.2000111.8I188 A201 E202 E203 L208 N209 I499I188-Y205 HydrophobicContact CD1-CD2 3.94Å; I188-Y205 HydrophobicContact CD1-CG 4.33Å; A201-Y205 PolarHBondContact O-N 3.49Å; E202-Y205 WeakPolarHBondContact O-CB 2.85Å; E202-Y205 PolarHBondContact O-N 3.06Å; E202-Y205 VanDerWaalsContact O-N 3.14Å; E203-Y205 VanDerWaalsContact C-N 3.31Å; E203-Y205 PolarHBondContact O-N 2.94Å; Y205-L208 PolarHBondContact O-N 2.95Å; Y205-N209 WeakPolarHBondContact CE1-ND2 3.29Å; Y205-N209 VanDerWaalsContact O-CG 3.23Å; Y205-N209 PolarHBondContact O-N 2.99Å; Y205-N209 PolarHBondContact O-ND2 3.4Å; Y205-I499 HydrophobicContact CD1-CG2 4.38Å; Y205-I499 HydrophobicContact CG-CG2 4.37Å
206Q95.5Very high94.1Very high92 Ų9248.1 Ų48.143%0.4326%0.257SS..Hα-helixtrans-63.1-44.3178.1-68.6176.219.900112E202 E203 V204 N209 A210E202-Q206 WeakPolarHBondContact O-CG 3.5Å; E202-Q206 PolarHBondContact O-N 2.56Å; E202-Q206 PolarHBondContact OE1-NE2 3.29Å; E203-Q206 PolarHBondContact O-N 3.46Å; V204-Q206 VanDerWaalsContact C-N 3.33Å; V204-Q206 PolarHBondContact O-N 3.29Å; Q206-N209 WeakPolarHBondContact O-CB 3.4Å; Q206-N209 PolarHBondContact O-N 3.34Å; Q206-A210 PolarHBondContact O-N 2.92Å
207R95.3Very high94Very high52 Ų5248.9 Ų48.920%0.19627%0.268CS..Hα-helixtrans-65-43.5175.9-58.3-48.5171.666.811.5112E169 A172 E173 A176 E203 V204 N209 A210 H211E169-R207 PolarHBondContact O-NH1 3.27Å; E169-R207 PolarHBondContact O-NH2 3.49Å; A172-R207 HydrophobicContact CB-CG 4.26Å; E173-R207 WeakPolarHBondContact OE2-CD 3.32Å; E173-R207 WeakPolarHBondContact OE2-CG 3.34Å; E173-R207 IonicContact OE2-CZ 3.2Å; E173-R207 IonicContact OE2-NE 3.76Å; E173-R207 IonicContact OE2-NH1 3.64Å; E173-R207 PolarHBondContact OE2-NH1 2.98Å; A176-R207 HydrophobicContact CB-CB 3.65Å; E203-R207 WeakPolarHBondContact O-CG 3.12Å; E203-R207 PolarHBondContact O-N 2.58Å; E203-R207 VanDerWaalsContact O-N 3.1Å; E203-R207 IonicContact OE1-NH2 3.61Å; E203-R207 PolarHBondContact OE1-NH2 3.5Å; V204-R207 PolarHBondContact O-N 3.13Å; R207-N209 VanDerWaalsContact C-N 3.27Å; R207-N209 PolarHBondContact O-N 2.84Å; R207-A210 WeakPolarHBondContact O-CB 3.38Å; R207-A210 PolarHBondContact O-N 3.11Å; R207-A210 VanDerWaalsContact O-N 3.11Å; R207-H211 PolarHBondContact O-CD2 3.15Å; R207-H211 VanDerWaalsContact O-CD2 3.25Å; R207-H211 PolarHBondContact O-N 3.02Å
208L94.8Very high93.8Very high1 Ų148.9 Ų48.91%0.00527%0.268CS..Hα-helixtrans-60.2-36.3175.8-74.7177.1000112.7A176 C179 Y185 P186 I188 V204 Y205 H211 K212A176-L208 HydrophobicContact CB-CD2 4.02Å; A176-L208 HydrophobicContact CB-CG 4.32Å; C179-L208 HydrophobicContact CB-CD2 3.39Å; Y185-L208 HydrophobicContact CD2-CB 4.36Å; Y185-L208 HydrophobicContact CE2-CB 4.13Å; P186-L208 HydrophobicContact CG-CD1 4.44Å; I188-L208 HydrophobicContact CD1-CD1 3.79Å; I188-L208 HydrophobicContact CG1-CD1 4.32Å; V204-L208 HydrophobicContact CG1-CD1 3.89Å; V204-L208 HydrophobicContact CG1-CG 4.21Å; V204-L208 WeakPolarHBondContact O-CB 3.41Å; V204-L208 WeakPolarHBondContact O-CG 3.4Å; V204-L208 PolarHBondContact O-N 3.28Å; Y205-L208 PolarHBondContact O-N 2.95Å; L208-H211 PolarHBondContact O-N 3.44Å; L208-K212 WeakPolarHBondContact O-CB 3.45Å; L208-K212 PolarHBondContact O-N 3.05Å
209N94.8Very high93.4Very high56 Ų5648.1 Ų48.130%0.29926%0.263SS..Hα-helixtrans-63.9-41.2174.5-72.3-25.3000112.3Y185 Y205 Q206 R207 K212 A213Y185-N209 PolarHBondContact OH-OD1 3.41Å; Y205-N209 WeakPolarHBondContact CE1-ND2 3.29Å; Y205-N209 VanDerWaalsContact O-CG 3.23Å; Y205-N209 PolarHBondContact O-N 2.99Å; Y205-N209 PolarHBondContact O-ND2 3.4Å; Q206-N209 WeakPolarHBondContact O-CB 3.4Å; Q206-N209 PolarHBondContact O-N 3.34Å; R207-N209 VanDerWaalsContact C-N 3.27Å; R207-N209 PolarHBondContact O-N 2.84Å; N209-K212 PolarHBondContact O-N 3.27Å; N209-A213 WeakPolarHBondContact O-CB 3.45Å; N209-A213 PolarHBondContact O-N 3.28Å
210A94.1Very high93Very high53 Ų5349.4 Ų49.444%0.43827%0.273SS..Hα-helixtrans-62.4-50.8174.600000111.1Q206 R207 K212 A213 D214Q206-A210 PolarHBondContact O-N 2.92Å; R207-A210 WeakPolarHBondContact O-CB 3.38Å; R207-A210 PolarHBondContact O-N 3.11Å; R207-A210 VanDerWaalsContact O-N 3.11Å; A210-K212 VanDerWaalsContact C-N 3.28Å; A210-K212 PolarHBondContact O-N 3.47Å; A210-A213 WeakPolarHBondContact O-CB 3.36Å; A210-A213 PolarHBondContact O-N 3.49Å; A210-D214 PolarHBondContact O-N 3.09Å; A210-D214 VanDerWaalsContact O-N 3.14Å
211H92.8Very high92.4Very high11 Ų1151.2 Ų51.25%0.05129%0.292CS..Hα-helixtrans-60.2-35.9177.5-80.9-86.9000112.9E173 R207 L208 D214 N215 M218E173-H211 IonicContact OE1-CD2 3.51Å; E173-H211 IonicContact OE1-CE1 3.47Å; E173-H211 IonicContact OE1-NE2 3.8Å; E173-H211 PolarHBondContact OE1-NE2 3.27Å; R207-H211 PolarHBondContact O-CD2 3.15Å; R207-H211 VanDerWaalsContact O-CD2 3.25Å; R207-H211 PolarHBondContact O-N 3.02Å; L208-H211 PolarHBondContact O-N 3.44Å; H211-D214 PolarHBondContact O-N 3.16Å; H211-N215 WeakPolarHBondContact O-CB 3.49Å; H211-N215 PolarHBondContact O-N 3.22Å; H211-N215 PolarHBondContact O-ND2 3.02Å; H211-M218 HydrophobicContact CB-CE 3.75Å; H211-M218 HydrophobicContact CB-SD 4.49Å
212K93.3Very high91.4Very high59 Ų5956.3 Ų56.326%0.25733%0.325SS..Hα-helixtrans-70.5-33.5175.7176.763.4177.2-179.60112.5Y185 L208 N209 A210 D214 N215 P216 M218Y185-K212 HydrophobicContact CD2-CB 3.85Å; Y185-K212 HydrophobicContact CD2-CD 4.28Å; Y185-K212 HydrophobicContact CD2-CG 4.05Å; Y185-K212 HydrophobicContact CE2-CB 3.83Å; Y185-K212 HydrophobicContact CE2-CG 4.05Å; Y185-K212 HydrophobicContact CG-CD 4.5Å; L208-K212 WeakPolarHBondContact O-CB 3.45Å; L208-K212 PolarHBondContact O-N 3.05Å; N209-K212 PolarHBondContact O-N 3.27Å; A210-K212 VanDerWaalsContact C-N 3.28Å; A210-K212 PolarHBondContact O-N 3.47Å; K212-D214 VanDerWaalsContact C-N 3.34Å; K212-N215 CarbonylContact O-C 3.52Å; K212-N215 PolarHBondContact O-N 3.46Å; K212-P216 PolarHBondContact NZ-O 3.4Å; K212-P216 WeakPolarHBondContact O-CA 3.17Å; K212-M218 HydrophobicContact CB-SD 4.49Å; K212-M218 HydrophobicContact CD-CB 3.9Å; K212-M218 WeakPolarHBondContact CD-O 3.41Å; K212-M218 PolarHBondContact NZ-O 2.92Å
213A94.1Very high90.9Very high75 Ų7555.7 Ų55.762%0.6233%0.325SS*.Hα-helixtrans-64.9-41.3174.500000111N209 A210N209-A213 WeakPolarHBondContact O-CB 3.45Å; N209-A213 PolarHBondContact O-N 3.28Å; A210-A213 WeakPolarHBondContact O-CB 3.36Å; A210-A213 PolarHBondContact O-N 3.49Å
214D90.1Very high90.3Very high129 Ų12956 Ų5669%0.6933%0.326SS*.Hα-helixtrans-76.1-30.9177.1-65.5-27.1000112.7A210 H211 K212 P216A210-D214 PolarHBondContact O-N 3.09Å; A210-D214 VanDerWaalsContact O-N 3.14Å; H211-D214 PolarHBondContact O-N 3.16Å; K212-D214 VanDerWaalsContact C-N 3.34Å; D214-P216 WeakPolarHBondContact O-CD 3.42Å
215N88.8Confident89.7Confident48 Ų4857.9 Ų57.926%0.25734%0.34SS..  trans-123.479.6179.1-64.3-71.2000112.1D180 H211 K212 S217 M218D180-N215 PolarHBondContact OD1-ND2 2.78Å; H211-N215 WeakPolarHBondContact O-CB 3.49Å; H211-N215 PolarHBondContact O-N 3.22Å; H211-N215 PolarHBondContact O-ND2 3.02Å; K212-N215 CarbonylContact O-C 3.52Å; K212-N215 PolarHBondContact O-N 3.46Å; N215-S217 PolarHBondContact O-N 3.3Å; N215-M218 HydrophobicContact CB-CE 4.3Å; N215-M218 VanDerWaalsContact O-CB 3.25Å; N215-M218 WeakPolarHBondContact O-CB 3.41Å; N215-M218 PolarHBondContact O-N 3.02Å
216P90.7Very high89.4Confident83 Ų8358.4 Ų58.454%0.53934%0.342SS..THydrogen-bonded Turntrans-58.1-23.2-177.2-2835.9000114.9K212 D214 M218K212-P216 PolarHBondContact NZ-O 3.4Å; K212-P216 WeakPolarHBondContact O-CA 3.17Å; D214-P216 WeakPolarHBondContact O-CD 3.42Å; P216-M218 PolarHBondContact O-N 3.26Å
217S88.1Confident89.3Confident65 Ų6554 Ų5446%0.45532%0.322SS..THydrogen-bonded Turntrans-74.6-8.3177.566.60000114.4N215 G219 E220N215-S217 PolarHBondContact O-N 3.3Å; S217-G219 PolarHBondContact O-N 2.94Å; S217-E220 WeakPolarHBondContact O-CB 3.32Å; S217-E220 PolarHBondContact O-N 2.97Å
218M90.2Very high89.4Confident0 Ų052 Ų520%032%0.315CS..THydrogen-bonded Turntrans-63.8127-178-174.6-174.6-66.100111.3D180 E184 Y185 H211 K212 N215 P216 E220D180-M218 HydrophobicContact CB-CE 3.64Å; D180-M218 WeakPolarHBondContact OD1-CE 3.38Å; E184-M218 WeakPolarHBondContact O-CG 3.48Å; Y185-M218 HydrophobicContact CD2-SD 4.33Å; H211-M218 HydrophobicContact CB-CE 3.75Å; H211-M218 HydrophobicContact CB-SD 4.49Å; K212-M218 HydrophobicContact CB-SD 4.49Å; K212-M218 HydrophobicContact CD-CB 3.9Å; K212-M218 WeakPolarHBondContact CD-O 3.41Å; K212-M218 PolarHBondContact NZ-O 2.92Å; N215-M218 HydrophobicContact CB-CE 4.3Å; N215-M218 VanDerWaalsContact O-CB 3.25Å; N215-M218 WeakPolarHBondContact O-CB 3.41Å; N215-M218 PolarHBondContact O-N 3.02Å; P216-M218 PolarHBondContact O-N 3.26Å; M218-E220 VanDerWaalsContact C-N 3.25Å; M218-E220 PolarHBondContact O-N 2.94Å
219G86.9Confident89.5Confident14 Ų1452 Ų5214%0.14431%0.314CS..THydrogen-bonded Turntrans74.19.3-177.800000115.1K183 S217K183-G219 PolarHBondContact O-N 3.4Å; S217-G219 PolarHBondContact O-N 2.94Å
220E85.9Confident89.7Confident127 Ų12749.3 Ų49.359%0.59330%0.3SS*.  trans-73.8135.7173.2-71.9-170.1172.500111.8S217 M218 K224S217-E220 WeakPolarHBondContact O-CB 3.32Å; S217-E220 PolarHBondContact O-N 2.97Å; M218-E220 VanDerWaalsContact C-N 3.25Å; M218-E220 PolarHBondContact O-N 2.94Å; E220-K224 VanDerWaalsContact O-CD 3.32Å; E220-K224 WeakPolarHBondContact O-CD 3.43Å
221G82.3Confident89.9Confident40 Ų4046.8 Ų46.841%0.41228%0.279SS..SBendtrans118.3153.6177.500000113D223 K224 A225G221-D223 VanDerWaalsContact C-N 3.27Å; G221-D223 PolarHBondContact O-N 2.74Å; G221-K224 PolarHBondContact O-N 3.35Å; G221-A225 WeakPolarHBondContact O-CB 3.3Å; G221-A225 PolarHBondContact O-N 3.37Å
222P77.1Confident90Very high106 Ų10646.2 Ų46.269%0.68828%0.277SS*.THydrogen-bonded Turntrans-64.4-31.3-172.826.3-34.8000113.1
223D83.8Confident90Very high64 Ų6444.4 Ų44.434%0.34227%0.27SS..THydrogen-bonded Turntrans-78-46179.2-63.9-41.3000111.2G221 A225 R226 P533G221-D223 VanDerWaalsContact C-N 3.27Å; G221-D223 PolarHBondContact O-N 2.74Å; D223-A225 VanDerWaalsContact C-N 3.33Å; D223-A225 PolarHBondContact O-N 3.35Å; D223-R226 WeakPolarHBondContact O-CB 3.39Å; D223-R226 PolarHBondContact O-N 3.1Å; D223-R226 VanDerWaalsContact O-N 3.15Å; D223-P533 HydrophobicContact CB-CG 4.33Å; D223-P533 WeakPolarHBondContact O-CA 3.23Å; D223-P533 VanDerWaalsContact O-CB 3.31Å; D223-P533 WeakPolarHBondContact O-CB 3.24Å; D223-P533 WeakPolarHBondContact O-CG 3.32Å
224K85.7Confident90Very high44 Ų4440.9 Ų40.919%0.19124%0.24CC..G310 helixtrans-67.2-30.8-178.8-68.1177.9161.9-71.50113.4L182 K183 E184 E220 G221 R226 S227L182-K224 PolarHBondContact O-NZ 2.87Å; K183-K224 PolarHBondContact O-NZ 2.72Å; E184-K224 IonicContact OE1-NZ 3.62Å; E184-K224 PolarHBondContact OE1-NZ 3.22Å; E184-K224 IonicContact OE2-NZ 2.97Å; E220-K224 VanDerWaalsContact O-CD 3.32Å; E220-K224 WeakPolarHBondContact O-CD 3.43Å; G221-K224 PolarHBondContact O-N 3.35Å; K224-R226 PolarHBondContact O-N 3.42Å; K224-R226 VanDerWaalsContact O-N 3.14Å; K224-S227 WeakPolarHBondContact O-CB 3.32Å; K224-S227 PolarHBondContact O-N 2.73Å; K224-S227 VanDerWaalsContact O-N 3.14Å; K224-S227 PolarHBondContact O-OG 3.24Å
225A84.2Confident90.1Very high38 Ų3835.2 Ų35.231%0.31421%0.213SC..G310 helixtrans-63.8-15.9175.200000113.8G221 D223G221-A225 WeakPolarHBondContact O-CB 3.3Å; G221-A225 PolarHBondContact O-N 3.37Å; D223-A225 VanDerWaalsContact C-N 3.33Å; D223-A225 PolarHBondContact O-N 3.35Å
226R89.2Confident90.3Very high69 Ų6933.4 Ų33.426%0.2620%0.203SC..G310 helixtrans-98.2-5.8179-71.3173.767-151.4-0.2113.1D223 K224 T507 P533 W562D223-R226 WeakPolarHBondContact O-CB 3.39Å; D223-R226 PolarHBondContact O-N 3.1Å; D223-R226 VanDerWaalsContact O-N 3.15Å; K224-R226 PolarHBondContact O-N 3.42Å; K224-R226 VanDerWaalsContact O-N 3.14Å; R226-T507 HydrophobicContact CB-CG2 3.87Å; R226-T507 HydrophobicContact CG-CG2 3.93Å; R226-T507 PolarHBondContact NH2-O 3.02Å; R226-T507 VanDerWaalsContact NH2-O 3.17Å; R226-T507 PolarHBondContact NH2-OG1 2.76Å; R226-T507 VanDerWaalsContact NH2-OG1 3.11Å; R226-P533 HydrophobicContact CB-CB 3.76Å; R226-P533 HydrophobicContact CB-CG 3.74Å; R226-W562 WeakPolarHBondContact O-CH2 3.04Å
227S93.9Very high90.5Very high1 Ų129.6 Ų29.61%0.00718%0.178CC..  trans-62.3143.9-177.9-63.60000111.3E184 P186 A187 K224 R534E184-S227 WeakPolarHBondContact OE2-CB 3.34Å; E184-S227 PolarHBondContact OE2-OG 3.48Å; P186-S227 CarbonylContact C-O 3.59Å; P186-S227 WeakPolarHBondContact CA-O 3.19Å; A187-S227 PolarHBondContact N-O 2.82Å; K224-S227 WeakPolarHBondContact O-CB 3.32Å; K224-S227 PolarHBondContact O-N 2.73Å; K224-S227 VanDerWaalsContact O-N 3.14Å; K224-S227 PolarHBondContact O-OG 3.24Å; S227-R534 CarbonylContact C-O 3.57Å; S227-R534 WeakPolarHBondContact CA-O 3.24Å; S227-R534 WeakPolarHBondContact CB-O 3.4Å; S227-R534 PolarHBondContact OG-N 3.26Å; S227-R534 VanDerWaalsContact OG-N 3.08Å
228Q96Very high90.8Very high9 Ų926.5 Ų26.54%0.04216%0.156CC..EExtended strand (participates in β ladder)trans-127.2144.8179.8-72.9177.770.400109.9A187 A486 R534 L535 I536A187-Q228 HydrophobicContact CB-CG 4.23Å; A187-Q228 CarbonylContact O-C 3.59Å; A187-Q228 WeakPolarHBondContact O-CA 3.36Å; Q228-A486 PolarHBondContact NE2-O 3.12Å; Q228-R534 PolarHBondContact N-O 2.62Å; Q228-L535 HydrophobicContact CB-CD1 3.86Å; Q228-I536 PolarHBondContact O-N 2.86Å
229L97.9Very high91.1Very high0 Ų027.2 Ų27.20%016%0.16CC..EExtended strand (participates in β ladder)trans-117.7120.8170.9170.962.3000108.4I175 P186 A187 I188 R189 V204 I536 F538I175-L229 HydrophobicContact CG2-CD1 4.46Å; I175-L229 HydrophobicContact CG2-CD2 3.79Å; P186-L229 HydrophobicContact CB-CB 3.97Å; P186-L229 HydrophobicContact CG-CB 3.69Å; A187-L229 PolarHBondContact O-N 2.95Å; I188-L229 WeakPolarHBondContact CA-O 2.99Å; I188-L229 HydrophobicContact CG1-CD2 4.36Å; I188-L229 HydrophobicContact CG2-CD2 4.37Å; I188-L229 HydrophobicContact CG2-CG 4.45Å; R189-L229 PolarHBondContact N-O 3.02Å; V204-L229 HydrophobicContact CG1-CD2 3.76Å; L229-I536 CarbonylContact C-O 3.53Å; L229-I536 VanDerWaalsContact CA-O 3.29Å; L229-I536 WeakPolarHBondContact CA-O 3.39Å; L229-I536 HydrophobicContact CD1-CB 3.76Å; L229-I536 HydrophobicContact CD1-CG2 3.57Å; L229-F538 HydrophobicContact CD1-CB 4.49Å
230L98.3Very high91.6Very high0 Ų026.6 Ų26.60%015%0.154CC..EExtended strand (participates in β ladder)trans-106.9125.3177.6-50.9-173.4000110.3R189 V482 A486 L491 W496 L535 I536 I537 F538R189-L230 HydrophobicContact CB-CD2 3.68Å; R189-L230 HydrophobicContact CG-CD2 4.15Å; R189-L230 CarbonylContact O-C 3.54Å; R189-L230 WeakPolarHBondContact O-CA 3.46Å; L230-V482 HydrophobicContact CD1-CG1 3.65Å; L230-A486 HydrophobicContact CD1-CB 4.16Å; L230-L491 HydrophobicContact CD1-CD2 4.1Å; L230-L491 HydrophobicContact CD2-CD2 4.32Å; L230-W496 HydrophobicContact CB-CZ3 4.39Å; L230-L535 HydrophobicContact CD1-CD1 3.95Å; L230-L535 HydrophobicContact CD2-CD1 4.46Å; L230-L535 HydrophobicContact CG-CD1 3.88Å; L230-I536 PolarHBondContact N-O 3.47Å; L230-I537 HydrophobicContact CB-CG1 4.3Å; L230-I537 HydrophobicContact CD1-CG1 4.3Å; L230-I537 HydrophobicContact CG-CG1 4.47Å; L230-F538 PolarHBondContact O-N 3.45Å
231I98.1Very high92.2Very high0 Ų020.7 Ų20.70%013%0.126CC..EExtended strand (participates in β ladder)trans-100.1126.2171.8-56.9-168.8000109.8R189 Y190 R191 L200 A201 V204 I540R189-I231 PolarHBondContact O-N 3.16Å; Y190-I231 CarbonylContact C-O 3.52Å; Y190-I231 WeakPolarHBondContact CA-O 3.47Å; R191-I231 PolarHBondContact N-O 3.47Å; L200-I231 HydrophobicContact CD2-CD1 4.38Å; L200-I231 HydrophobicContact CD2-CG2 4.03Å; L200-I231 HydrophobicContact CG-CD1 4.11Å; A201-I231 VanDerWaalsContact CA-CD1 3.44Å; A201-I231 HydrophobicContact CB-CD1 3.73Å; V204-I231 HydrophobicContact CG2-CD1 4.13Å; I231-I540 HydrophobicContact CG2-CD1 4.01Å; I231-I540 HydrophobicContact CG2-CG1 4.44Å
232V96.1Very high92.9Very high0 Ų018.8 Ų18.80%011%0.106CC..EExtended strand (participates in β ladder)trans-132.1137.9-174.5-161.20000110F236 I479 W496 I537 F538 M539 I540V232-F236 HydrophobicContact CG1-CB 3.65Å; V232-F236 HydrophobicContact CG1-CD1 3.83Å; V232-F236 HydrophobicContact CG1-CD2 4.43Å; V232-F236 HydrophobicContact CG1-CG 3.71Å; V232-I479 HydrophobicContact CG2-CD1 4.08Å; V232-W496 HydrophobicContact CB-CH2 4.37Å; V232-W496 HydrophobicContact CG1-CH2 3.98Å; V232-W496 HydrophobicContact CG2-CH2 3.64Å; V232-W496 HydrophobicContact CG2-CZ3 3.77Å; V232-I537 HydrophobicContact CG2-CG2 4.21Å; V232-F538 PolarHBondContact N-O 3.05Å; V232-M539 HydrophobicContact CB-CE 4.46Å; V232-M539 HydrophobicContact CG1-CE 4.32Å; V232-M539 CarbonylContact O-C 3.55Å; V232-M539 VanDerWaalsContact O-CA 3.3Å; V232-M539 WeakPolarHBondContact O-CA 3.41Å; V232-I540 PolarHBondContact O-N 2.97Å
233D93.6Very high93.9Very high21 Ų2113.8 Ų13.811%0.1127%0.074CC..EExtended strand (participates in β ladder)trans-89.3150.716962.4-75.2000111.4Y156 N197 G235 F236Y156-D233 WeakPolarHBondContact OH-CB 3.34Å; N197-D233 PolarHBondContact ND2-OD1 3.28Å; D233-G235 PolarHBondContact O-N 2.98Å; D233-G235 PolarHBondContact OD2-N 3.05Å; D233-F236 WeakPolarHBondContact O-CB 3.31Å; D233-F236 PolarHBondContact O-N 3.12Å; D233-F236 PolarHBondContact OD2-N 2.63Å
234R94.3Very high94.6Very high0 Ų011 Ų110%06%0.059CC..G310 helixtrans-58.5-29.5-179.8-172.963.8-79.2171.73.1113.4Y156 F236 D237 L444 M539 I540 G541 G542 E547 F577Y156-R234 HydrophobicContact CE2-CB 4.24Å; Y156-R234 PolarHBondContact OH-N 3.16Å; R234-F236 PolarHBondContact O-N 3.11Å; R234-D237 PolarHBondContact NE-O 3.44Å; R234-D237 PolarHBondContact NH2-O 2.59Å; R234-D237 CarbonylContact O-C 3.57Å; R234-D237 PolarHBondContact O-N 3.17Å; R234-L444 HydrophobicContact CB-CD2 4.12Å; R234-L444 HydrophobicContact CG-CD2 3.88Å; R234-M539 PolarHBondContact NH1-SD 3.42Å; R234-M539 PolarHBondContact NH2-SD 3.44Å; R234-I540 VanDerWaalsContact CB-O 3.31Å; R234-I540 WeakPolarHBondContact CB-O 3.34Å; R234-I540 PolarHBondContact N-O 2.7Å; R234-I540 VanDerWaalsContact N-O 3.08Å; R234-G541 WeakPolarHBondContact CD-O 3.47Å; R234-G541 WeakPolarHBondContact CG-O 3.32Å; R234-G542 WeakPolarHBondContact CD-O 3.44Å; R234-G542 PolarHBondContact NH1-O 3.17Å; R234-E547 IonicContact CZ-OE1 3.91Å; R234-E547 IonicContact CZ-OE2 3.12Å; R234-E547 IonicContact NH1-OE1 2.75Å; R234-E547 PolarHBondContact NH1-OE1 3.2Å; R234-E547 IonicContact NH1-OE2 3.53Å; R234-E547 PolarHBondContact NH1-OE2 3.37Å; R234-E547 IonicContact NH2-OE1 2.72Å; R234-E547 PolarHBondContact NH2-OE1 3.38Å; R234-E547 IonicContact NH2-OE2 2.56Å; R234-F577 HydrophobicContact CG-CE2 3.68Å; R234-F577 HydrophobicContact CG-CZ 3.95Å
235G92.2Very high95.1Very high11 Ų119.7 Ų9.711%0.1135%0.053CC..G310 helixtrans-60.9-18.7176.100000114.5D233 D237 L444D233-G235 PolarHBondContact O-N 2.98Å; D233-G235 PolarHBondContact OD2-N 3.05Å; G235-D237 VanDerWaalsContact C-N 3.34Å; G235-D237 PolarHBondContact O-N 2.98Å; G235-L444 VanDerWaalsContact CA-O 3.27Å; G235-L444 WeakPolarHBondContact CA-O 3.47Å
236F91.9Very high95.8Very high10 Ų108.1 Ų8.14%0.0444%0.039CC..G310 helixtrans-58.2-41.8175.1172.8-103.1000113.4R191 V232 D233 R234 P460 T478 I479 V482 W496R191-F236 HydrophobicContact CG-CD2 4.33Å; V232-F236 HydrophobicContact CG1-CB 3.65Å; V232-F236 HydrophobicContact CG1-CD1 3.83Å; V232-F236 HydrophobicContact CG1-CD2 4.43Å; V232-F236 HydrophobicContact CG1-CG 3.71Å; D233-F236 WeakPolarHBondContact O-CB 3.31Å; D233-F236 PolarHBondContact O-N 3.12Å; D233-F236 PolarHBondContact OD2-N 2.63Å; R234-F236 PolarHBondContact O-N 3.11Å; F236-P460 HydrophobicContact CD2-CG 3.64Å; F236-P460 HydrophobicContact CE2-CB 4.05Å; F236-P460 HydrophobicContact CE2-CG 3.33Å; F236-P460 HydrophobicContact CG-CG 4.45Å; F236-P460 HydrophobicContact CZ-CB 4.38Å; F236-P460 HydrophobicContact CZ-CG 3.92Å; F236-P460 VanDerWaalsContact O-CD 3.29Å; F236-P460 WeakPolarHBondContact O-CD 3.41Å; F236-T478 HydrophobicContact CE1-CG2 3.69Å; F236-T478 HydrophobicContact CE2-CG2 4.45Å; F236-T478 HydrophobicContact CZ-CG2 3.53Å; F236-I479 HydrophobicContact CE1-CD1 4.42Å; F236-V482 HydrophobicContact CE1-CG2 4.06Å; F236-V482 HydrophobicContact CE2-CG2 4.37Å; F236-V482 HydrophobicContact CZ-CG2 3.49Å; F236-V482 VanDerWaalsContact CZ-CG2 3.49Å; F236-W496 HydrophobicContact CD2-CZ2 4.36Å; F236-W496 AromaticContact CE2-CZ2 3.81Å; F236-W496 HydrophobicContact CE2-CZ2 3.81Å; F236-W496 HydrophobicContact CZ-CZ2 4.1Å
237D94.8Very high96.2Very high2 Ų25.4 Ų5.41%0.0113%0.031CC..  trans-141.391.2178.8-175-12.6000109.6R234 G235 I239 S240 P241 T478R234-D237 PolarHBondContact NE-O 3.44Å; R234-D237 PolarHBondContact NH2-O 2.59Å; R234-D237 CarbonylContact O-C 3.57Å; R234-D237 PolarHBondContact O-N 3.17Å; G235-D237 VanDerWaalsContact C-N 3.34Å; G235-D237 PolarHBondContact O-N 2.98Å; D237-I239 VanDerWaalsContact C-N 3.31Å; D237-I239 PolarHBondContact OD1-N 2.91Å; D237-S240 PolarHBondContact OD1-N 2.86Å; D237-S240 PolarHBondContact OD1-OG 3.32Å; D237-S240 WeakPolarHBondContact OD2-CB 3.32Å; D237-S240 PolarHBondContact OD2-OG 3.44Å; D237-P241 WeakPolarHBondContact O-CD 3.07Å; D237-T478 VanDerWaalsContact CG-OG1 3.31Å; D237-T478 VanDerWaalsContact OD2-CB 3.22Å; D237-T478 WeakPolarHBondContact OD2-CB 3.5Å; D237-T478 PolarHBondContact OD2-N 2.8Å; D237-T478 PolarHBondContact OD2-OG1 3.19Å
238P95.1Very high96.4Very high1 Ų15.4 Ų5.41%0.0063%0.031CC..SBendtrans-84.7-3.9177.135.3-36.7000113.2I242 F411 L441 L459P238-I242 WeakPolarHBondContact O-CG1 3.42Å; P238-F411 HydrophobicContact CB-CE1 4.35Å; P238-F411 HydrophobicContact CB-CE2 3.82Å; P238-F411 HydrophobicContact CB-CZ 3.6Å; P238-F411 HydrophobicContact CG-CD1 4.35Å; P238-F411 HydrophobicContact CG-CD2 4.31Å; P238-F411 HydrophobicContact CG-CE1 3.88Å; P238-F411 HydrophobicContact CG-CE2 3.8Å; P238-F411 HydrophobicContact CG-CZ 3.58Å; P238-L441 HydrophobicContact CB-CD2 4.16Å; P238-L459 HydrophobicContact CG-CD1 4.3Å; P238-L459 HydrophobicContact CG-CD2 3.88Å
239I96.6Very high96.5Very high14 Ų145.1 Ų5.17%0.0723%0.029CC..SBendtrans-87.8-48.6-175.3-67.3169000110.4D237 P241 I242 L243 A371 L408 F411 L459 W475D237-I239 VanDerWaalsContact C-N 3.31Å; D237-I239 PolarHBondContact OD1-N 2.91Å; I239-P241 VanDerWaalsContact C-CD 3.45Å; I239-I242 WeakPolarHBondContact O-CG1 3.42Å; I239-I242 PolarHBondContact O-N 3.24Å; I239-L243 HydrophobicContact CG2-CD1 3.62Å; I239-L243 HydrophobicContact CG2-CG 3.99Å; I239-L243 PolarHBondContact O-N 3.09Å; I239-A371 HydrophobicContact CG2-CB 4.07Å; I239-L408 HydrophobicContact CG1-CD2 4.44Å; I239-L408 HydrophobicContact CG2-CD2 3.79Å; I239-F411 HydrophobicContact CD1-CB 4.14Å; I239-F411 HydrophobicContact CG1-CB 4.23Å; I239-F411 HydrophobicContact CG1-CD2 3.7Å; I239-F411 HydrophobicContact CG1-CE2 4.43Å; I239-F411 HydrophobicContact CG1-CG 4.21Å; I239-L459 HydrophobicContact CD1-CD1 3.93Å; I239-W475 HydrophobicContact CB-CH2 3.87Å; I239-W475 HydrophobicContact CB-CZ2 3.7Å; I239-W475 HydrophobicContact CD1-CH2 3.65Å; I239-W475 HydrophobicContact CD1-CZ2 4.36Å; I239-W475 HydrophobicContact CD1-CZ3 4.11Å; I239-W475 HydrophobicContact CG1-CH2 4.36Å; I239-W475 HydrophobicContact CG2-CD2 3.99Å; I239-W475 HydrophobicContact CG2-CE3 4.1Å; I239-W475 HydrophobicContact CG2-CH2 3.65Å; I239-W475 HydrophobicContact CG2-CZ2 3.51Å; I239-W475 HydrophobicContact CG2-CZ3 3.94Å
240S97.4Very high96.5Very high2 Ų25.5 Ų5.51%0.0143%0.033CC..THydrogen-bonded Turntrans-52.9-39.7-179.2-65.10000115.4D237 I242 W475 P477D237-S240 PolarHBondContact OD1-N 2.86Å; D237-S240 PolarHBondContact OD1-OG 3.32Å; D237-S240 WeakPolarHBondContact OD2-CB 3.32Å; D237-S240 PolarHBondContact OD2-OG 3.44Å; S240-I242 VanDerWaalsContact C-N 3.31Å; S240-I242 PolarHBondContact O-N 3.11Å; S240-W475 PolarHBondContact OG-NE1 3.35Å; S240-P477 WeakPolarHBondContact OG-CA 3.39Å; S240-P477 WeakPolarHBondContact OG-CB 3.38Å
241P97.7Very high96.5Very high2 Ų25.6 Ų5.61%0.0133%0.033CC..THydrogen-bonded Turntrans-76.5-11178.829.3-36000114.7D237 I239 V572 P574 F577D237-P241 WeakPolarHBondContact O-CD 3.07Å; I239-P241 VanDerWaalsContact C-CD 3.45Å; P241-V572 HydrophobicContact CB-CG2 4.24Å; P241-P574 VanDerWaalsContact O-CA 3.26Å; P241-P574 WeakPolarHBondContact O-CA 3.48Å; P241-P574 WeakPolarHBondContact O-CG 3.4Å; P241-F577 HydrophobicContact CB-CD1 3.92Å; P241-F577 HydrophobicContact CB-CE1 4.22Å; P241-F577 HydrophobicContact CB-CG 4.2Å; P241-F577 HydrophobicContact CG-CD1 3.98Å; P241-F577 HydrophobicContact CG-CE1 3.76Å; P241-F577 HydrophobicContact CG-CZ 4.21Å
242I97.9Very high96.5Very high0 Ų05.6 Ų5.60%03%0.033CC..THydrogen-bonded Turntrans-109.9-5.4-176.664.4169.5000114.2P238 I239 S240 R404 L407 L408 F411 F577 L578P238-I242 WeakPolarHBondContact O-CG1 3.42Å; I239-I242 WeakPolarHBondContact O-CG1 3.42Å; I239-I242 PolarHBondContact O-N 3.24Å; S240-I242 VanDerWaalsContact C-N 3.31Å; S240-I242 PolarHBondContact O-N 3.11Å; I242-R404 HydrophobicContact CB-CG 4.31Å; I242-R404 PolarHBondContact O-NE 2.71Å; I242-R404 PolarHBondContact O-NH2 3.08Å; I242-L407 HydrophobicContact CD1-CB 3.7Å; I242-L407 HydrophobicContact CD1-CD1 4.26Å; I242-L408 HydrophobicContact CD1-CD2 3.91Å; I242-L408 HydrophobicContact CD1-CG 3.95Å; I242-L408 HydrophobicContact CG1-CD2 4.21Å; I242-L408 HydrophobicContact CG1-CG 4.5Å; I242-F411 HydrophobicContact CD1-CD2 4.37Å; I242-F411 HydrophobicContact CD1-CE2 3.99Å; I242-F577 HydrophobicContact CG2-CD1 3.83Å; I242-F577 HydrophobicContact CG2-CE1 4.01Å; I242-L578 HydrophobicContact CG2-CD2 4.32Å
243L97.7Very high96.6Very high2 Ų26.6 Ų6.61%0.014%0.037CC..SBendtrans-79.5146.4178.8-75.8170.6000112.3I239 E245 E367 A371 R404 L408 W475I239-L243 HydrophobicContact CG2-CD1 3.62Å; I239-L243 HydrophobicContact CG2-CG 3.99Å; I239-L243 PolarHBondContact O-N 3.09Å; L243-E245 PolarHBondContact O-N 3.18Å; L243-E367 HydrophobicContact CD2-CB 3.82Å; L243-E367 HydrophobicContact CD2-CG 4.47Å; L243-A371 HydrophobicContact CD1-CB 4.26Å; L243-A371 HydrophobicContact CD2-CB 4.1Å; L243-R404 PolarHBondContact O-NH2 3.31Å; L243-L408 HydrophobicContact CD2-CD1 3.76Å; L243-L408 HydrophobicContact CD2-CD2 3.9Å; L243-L408 HydrophobicContact CG-CD2 4.37Å; L243-W475 HydrophobicContact CD1-CB 3.65Å; L243-W475 HydrophobicContact CD1-CD2 3.7Å; L243-W475 HydrophobicContact CD1-CG 3.23Å
244H98.1Very high96.8Very high5 Ų56.5 Ų6.52%0.0234%0.037CC..  trans-72.7110.1164.5-76.9100000109.4D254 V360 C364 E367 D401 R404H244-D254 IonicContact CD2-OD2 3.4Å; H244-D254 PolarHBondContact CD2-OD2 3.32Å; H244-D254 IonicContact CG-OD2 3.28Å; H244-D254 IonicContact NE2-OD2 2.74Å; H244-V360 HydrophobicContact CB-CG1 4Å; H244-V360 VanDerWaalsContact CD2-CG1 3.45Å; H244-V360 WeakPolarHBondContact CD2-CG1 3.47Å; H244-C364 VanDerWaalsContact CB-SG 3.58Å; H244-E367 WeakPolarHBondContact CB-OE2 3.49Å; H244-E367 IonicContact CE1-OE1 3.63Å; H244-E367 IonicContact CG-OE1 3.45Å; H244-E367 IonicContact CG-OE2 2.77Å; H244-E367 PolarHBondContact N-OE2 3.31Å; H244-E367 IonicContact ND1-OE1 3.83Å; H244-E367 PolarHBondContact ND1-OE1 3.49Å; H244-E367 IonicContact ND1-OE2 3.76Å; H244-E367 PolarHBondContact ND1-OE2 3.25Å; H244-D401 IonicContact CE1-OD1 2.68Å; H244-D401 PolarHBondContact CE1-OD1 2.87Å; H244-D401 VanDerWaalsContact CE1-OD1 3.24Å; H244-D401 IonicContact NE2-OD1 3.42Å; H244-R404 PolarHBondContact CD2-NH2 2.96Å; H244-R404 PolarHBondContact CE1-NH1 3.46Å; H244-R404 VanDerWaalsContact N-NH2 3.15Å; H244-R404 VanDerWaalsContact ND1-CZ 3.34Å; H244-R404 PolarHBondContact ND1-NH2 3.37Å; H244-R404 PolarHBondContact NE2-NH1 3.41Å
245E96.8Very high97Very high17 Ų177.2 Ų7.28%0.0794%0.04CC..  trans-95.6133.3179.2-77.9-81.2172.400110.8L243 A250 M251 S546 R549L243-E245 PolarHBondContact O-N 3.18Å; E245-A250 HydrophobicContact CB-CB 3.54Å; E245-A250 HydrophobicContact CG-CB 4.45Å; E245-M251 WeakPolarHBondContact O-CA 3.26Å; E245-M251 VanDerWaalsContact O-CB 3.29Å; E245-M251 WeakPolarHBondContact O-CB 3.29Å; E245-M251 PolarHBondContact O-N 3.46Å; E245-S546 VanDerWaalsContact OE1-CB 3.26Å; E245-S546 WeakPolarHBondContact OE1-CB 3.08Å; E245-S546 PolarHBondContact OE1-OG 3.03Å; E245-R549 IonicContact OE2-CZ 3.79Å; E245-R549 IonicContact OE2-NH1 3.48Å; E245-R549 PolarHBondContact OE2-NH1 3.25Å; E245-R549 IonicContact OE2-NH2 3.81Å
246L97.6Very high97.2Very high4 Ų47.9 Ų7.92%0.0214%0.041CC..  trans-102.211.8-173.9-57.7-178.6000113.6M251 H294 I295 F356 L472L246-M251 HydrophobicContact CD2-CE 4.02Å; L246-M251 HydrophobicContact CD2-SD 4.2Å; L246-H294 WeakPolarHBondContact CB-NE2 3.33Å; L246-I295 HydrophobicContact CB-CG2 4.2Å; L246-I295 WeakPolarHBondContact O-CB 3.4Å; L246-I295 WeakPolarHBondContact O-CG2 3.23Å; L246-I295 PolarHBondContact O-N 2.96Å; L246-F356 HydrophobicContact CD1-CE2 3.99Å; L246-F356 HydrophobicContact CD1-CZ 4.48Å; L246-F356 HydrophobicContact CD2-CD2 3.84Å; L246-F356 HydrophobicContact CD2-CE2 3.75Å; L246-L472 HydrophobicContact CD1-CB 3.74Å
247T97.8Very high97.3Very high13 Ų1312.9 Ų12.98%0.087%0.068CC..BIsolated β-bridgetrans-82.2143.8165.954.40000111Q249 A250 M251 M293 R549T247-Q249 PolarHBondContact O-N 2.8Å; T247-A250 PolarHBondContact O-N 3.49Å; T247-A250 VanDerWaalsContact O-N 3.13Å; T247-M251 WeakPolarHBondContact O-CB 3.47Å; T247-M251 PolarHBondContact O-N 2.98Å; T247-M293 CarbonylContact C-O 3.51Å; T247-M293 WeakPolarHBondContact CA-O 3.39Å; T247-R549 PolarHBondContact OG1-NH1 3.3Å
248F98.4Very high97.3Very high0 Ų014 Ų140%07%0.074CC..Hα-helixtrans-52-53.7-160.2-168.8-142.8000114.5M251 V252 W287 L290 M293 I295 V298 H345 L348 A349F248-M251 PolarHBondContact O-N 2.79Å; F248-V252 HydrophobicContact CD2-CG2 3.92Å; F248-V252 HydrophobicContact CE2-CG2 3.78Å; F248-V252 HydrophobicContact CZ-CG2 4.4Å; F248-V252 WeakPolarHBondContact O-CB 3.49Å; F248-V252 WeakPolarHBondContact O-CG2 3.37Å; F248-V252 PolarHBondContact O-N 2.95Å; F248-W287 HydrophobicContact CD1-CE3 4.21Å; F248-W287 AromaticContact CD1-CZ3 3.82Å; F248-W287 HydrophobicContact CD1-CZ3 3.82Å; F248-W287 AromaticContact CE1-CE3 3.97Å; F248-W287 HydrophobicContact CE1-CE3 3.97Å; F248-W287 AromaticContact CE1-CZ3 3.7Å; F248-W287 HydrophobicContact CE1-CZ3 3.7Å; F248-W287 HydrophobicContact CZ-CZ3 4.39Å; F248-L290 WeakPolarHBondContact CB-O 3.49Å; F248-L290 HydrophobicContact CD1-CB 3.69Å; F248-L290 HydrophobicContact CE1-CB 4Å; F248-L290 HydrophobicContact CE1-CD1 4.39Å; F248-M293 PolarHBondContact N-O 2.82Å; F248-I295 HydrophobicContact CD2-CD1 4.01Å; F248-I295 HydrophobicContact CE2-CD1 4.4Å; F248-V298 HydrophobicContact CB-CG2 3.78Å; F248-V298 HydrophobicContact CD1-CG1 4.2Å; F248-V298 HydrophobicContact CD1-CG2 4.36Å; F248-V298 HydrophobicContact CD2-CG1 4.05Å; F248-V298 HydrophobicContact CD2-CG2 4.09Å; F248-V298 HydrophobicContact CE1-CG1 4.11Å; F248-V298 HydrophobicContact CE2-CG1 3.97Å; F248-V298 HydrophobicContact CG-CG1 4.16Å; F248-V298 HydrophobicContact CG-CG2 3.83Å; F248-V298 HydrophobicContact CZ-CG1 3.99Å; F248-H345 AromaticContact CE1-ND1 3.74Å; F248-L348 HydrophobicContact CE2-CB 3.98Å; F248-L348 HydrophobicContact CZ-CB 3.73Å; F248-L348 HydrophobicContact CZ-CD1 4.25Å; F248-A349 HydrophobicContact CE2-CB 4.19Å
249Q98.5Very high97.2Very high3 Ų320 Ų201%0.01410%0.1CC..Hα-helixtrans-63.8-48.7179.6170.9-17737.300112.3E140 T247 M251 V252 Y253 W287 R291 H292E140-Q249 PolarHBondContact OE1-NE2 3.06Å; T247-Q249 PolarHBondContact O-N 2.8Å; Q249-M251 VanDerWaalsContact C-N 3.28Å; Q249-M251 PolarHBondContact O-N 2.76Å; Q249-V252 PolarHBondContact O-N 2.78Å; Q249-Y253 HydrophobicContact CG-CD2 4.17Å; Q249-Y253 HydrophobicContact CG-CE2 4.23Å; Q249-Y253 VanDerWaalsContact O-CD2 3.26Å; Q249-Y253 WeakPolarHBondContact O-CD2 3.45Å; Q249-Y253 PolarHBondContact O-N 3Å; Q249-W287 HydrophobicContact CB-CH2 3.89Å; Q249-W287 HydrophobicContact CB-CZ2 3.82Å; Q249-W287 HydrophobicContact CG-CH2 4.24Å; Q249-W287 HydrophobicContact CG-CZ2 3.78Å; Q249-R291 HydrophobicContact CB-CB 3.79Å; Q249-R291 VanDerWaalsContact CB-O 3.25Å; Q249-R291 WeakPolarHBondContact CB-O 3.26Å; Q249-R291 PolarHBondContact N-O 3.02Å; Q249-H292 PolarHBondContact OE1-CE1 3.48Å; Q249-H292 VanDerWaalsContact OE1-CE1 3.27Å
250A98.3Very high96.8Very high9 Ų926.5 Ų26.57%0.07413%0.13CC..Hα-helixtrans-58.8-43.3179.400000111.5E245 T247 D254 H545E245-A250 HydrophobicContact CB-CB 3.54Å; E245-A250 HydrophobicContact CG-CB 4.45Å; T247-A250 PolarHBondContact O-N 3.49Å; T247-A250 VanDerWaalsContact O-N 3.13Å; A250-D254 WeakPolarHBondContact O-CB 3.49Å; A250-D254 PolarHBondContact O-N 3.02Å; A250-H545 HydrophobicContact CB-CB 3.61Å
251M98.3Very high96.7Very high1 Ų128.3 Ų28.31%0.00514%0.14CC..Hα-helixtrans-67.5-41.1179.1-166.8179.3-173.200112.8E245 L246 T247 F248 Q249 D254 L255 I295 C352 F356E245-M251 WeakPolarHBondContact O-CA 3.26Å; E245-M251 VanDerWaalsContact O-CB 3.29Å; E245-M251 WeakPolarHBondContact O-CB 3.29Å; E245-M251 PolarHBondContact O-N 3.46Å; L246-M251 HydrophobicContact CD2-CE 4.02Å; L246-M251 HydrophobicContact CD2-SD 4.2Å; T247-M251 WeakPolarHBondContact O-CB 3.47Å; T247-M251 PolarHBondContact O-N 2.98Å; F248-M251 PolarHBondContact O-N 2.79Å; Q249-M251 VanDerWaalsContact C-N 3.28Å; Q249-M251 PolarHBondContact O-N 2.76Å; M251-D254 PolarHBondContact O-N 3.31Å; M251-L255 HydrophobicContact CE-CD1 3.57Å; M251-L255 HydrophobicContact CG-CD1 3.66Å; M251-L255 HydrophobicContact CG-CG 4.23Å; M251-L255 WeakPolarHBondContact O-CB 3.49Å; M251-L255 WeakPolarHBondContact O-CG 3.41Å; M251-L255 PolarHBondContact O-N 2.74Å; M251-L255 HydrophobicContact SD-CD1 4.5Å; M251-I295 HydrophobicContact CE-CG1 4.4Å; M251-I295 HydrophobicContact CE-CG2 4.46Å; M251-I295 HydrophobicContact SD-CB 3.69Å; M251-I295 HydrophobicContact SD-CD1 4.21Å; M251-I295 HydrophobicContact SD-CG1 3.66Å; M251-I295 HydrophobicContact SD-CG2 3.81Å; M251-C352 HydrophobicContact CE-CB 3.98Å; M251-C352 HydrophobicContact CG-CB 4.22Å; M251-C352 HydrophobicContact SD-CB 3.93Å; M251-F356 HydrophobicContact CE-CB 3.57Å; M251-F356 HydrophobicContact CE-CD2 3.95Å; M251-F356 HydrophobicContact CE-CG 3.99Å
252V98.3Very high96.6Very high0 Ų030.6 Ų30.60%015%0.151CC..Hα-helixtrans-61-47.5177.61610000110.5F248 Q249 L256 I258 L280 W287 L348 C352F248-V252 HydrophobicContact CD2-CG2 3.92Å; F248-V252 HydrophobicContact CE2-CG2 3.78Å; F248-V252 HydrophobicContact CZ-CG2 4.4Å; F248-V252 WeakPolarHBondContact O-CB 3.49Å; F248-V252 WeakPolarHBondContact O-CG2 3.37Å; F248-V252 PolarHBondContact O-N 2.95Å; Q249-V252 PolarHBondContact O-N 2.78Å; V252-L256 HydrophobicContact CG1-CD1 4.34Å; V252-L256 HydrophobicContact CG2-CD1 4.46Å; V252-L256 VanDerWaalsContact O-CB 3.27Å; V252-L256 WeakPolarHBondContact O-CB 3.47Å; V252-L256 PolarHBondContact O-N 3.41Å; V252-L256 VanDerWaalsContact O-N 3.11Å; V252-I258 HydrophobicContact CG1-CD1 3.98Å; V252-I258 HydrophobicContact CG1-CG1 3.91Å; V252-L280 HydrophobicContact CG1-CD1 4.07Å; V252-W287 HydrophobicContact CG1-CH2 4.44Å; V252-L348 HydrophobicContact CG1-CD2 3.88Å; V252-L348 HydrophobicContact CG2-CB 4.38Å; V252-L348 HydrophobicContact CG2-CD2 4.1Å; V252-C352 VanDerWaalsContact CG2-SG 3.52Å
253Y98.2Very high96.4Very high21 Ų2131.2 Ų31.28%0.08215%0.154CC..Hα-helixtrans-75.3-23.5-177.7-80.9-107000113.4Q249 I258 D261 L280 W287 H545 T573Q249-Y253 HydrophobicContact CG-CD2 4.17Å; Q249-Y253 HydrophobicContact CG-CE2 4.23Å; Q249-Y253 VanDerWaalsContact O-CD2 3.26Å; Q249-Y253 WeakPolarHBondContact O-CD2 3.45Å; Q249-Y253 PolarHBondContact O-N 3Å; Y253-I258 HydrophobicContact CD1-CB 4.29Å; Y253-I258 HydrophobicContact CD1-CG2 4.12Å; Y253-I258 HydrophobicContact CE1-CB 4.37Å; Y253-I258 HydrophobicContact CE1-CG2 3.7Å; Y253-I258 HydrophobicContact CE2-CG2 4.47Å; Y253-D261 WeakPolarHBondContact CE1-OD1 3.39Å; Y253-D261 WeakPolarHBondContact OH-CB 3.38Å; Y253-D261 PolarHBondContact OH-OD1 3.37Å; Y253-D261 VanDerWaalsContact OH-OD1 3.07Å; Y253-L280 HydrophobicContact CE2-CD1 4.18Å; Y253-W287 HydrophobicContact CE2-CH2 4.24Å; Y253-W287 AromaticContact CE2-CZ2 3.98Å; Y253-W287 HydrophobicContact CE2-CZ2 3.98Å; Y253-H545 AromaticContact CD1-CE1 3.75Å; Y253-H545 AromaticContact CD1-NE2 3.81Å; Y253-H545 AromaticContact CG-CE1 3.68Å; Y253-H545 AromaticContact CG-NE2 3.73Å; Y253-T573 WeakPolarHBondContact O-CG2 3.46Å
254D97.8Very high96.3Very high20 Ų2036 Ų3611%0.10718%0.175CC..Hα-helixtrans-79.3-47.1174-169.721000111.9H244 A250 M251 R404 P574H244-D254 IonicContact CD2-OD2 3.4Å; H244-D254 PolarHBondContact CD2-OD2 3.32Å; H244-D254 IonicContact CG-OD2 3.28Å; H244-D254 IonicContact NE2-OD2 2.74Å; A250-D254 WeakPolarHBondContact O-CB 3.49Å; A250-D254 PolarHBondContact O-N 3.02Å; M251-D254 PolarHBondContact O-N 3.31Å; D254-R404 IonicContact OD1-NH1 3.7Å; D254-R404 IonicContact OD1-NH2 3.57Å; D254-R404 IonicContact OD2-CZ 3.77Å; D254-R404 IonicContact OD2-NH1 3.78Å; D254-R404 IonicContact OD2-NH2 2.72Å; D254-R404 PolarHBondContact OD2-NH2 2.85Å; D254-P574 HydrophobicContact CB-CG 4.45Å; D254-P574 WeakPolarHBondContact OD1-CD 3.45Å; D254-P574 WeakPolarHBondContact OD1-CG 3.44Å
255L96.9Very high95.9Very high15 Ų1536.4 Ų36.48%0.07918%0.176CC..Hα-helixtrans-94.1-22.8-166.9-59-174.4000115M251 K355 V360M251-L255 HydrophobicContact CE-CD1 3.57Å; M251-L255 HydrophobicContact CG-CD1 3.66Å; M251-L255 HydrophobicContact CG-CG 4.23Å; M251-L255 WeakPolarHBondContact O-CB 3.49Å; M251-L255 WeakPolarHBondContact O-CG 3.41Å; M251-L255 PolarHBondContact O-N 2.74Å; M251-L255 HydrophobicContact SD-CD1 4.5Å; L255-K355 HydrophobicContact CB-CB 4.26Å; L255-K355 HydrophobicContact CB-CG 4.47Å; L255-K355 HydrophobicContact CD1-CB 4.06Å; L255-K355 VanDerWaalsContact O-CE 3.32Å; L255-K355 WeakPolarHBondContact O-CE 3.48Å; L255-K355 PolarHBondContact O-NZ 3.24Å; L255-V360 HydrophobicContact CD1-CG2 4.36Å; L255-V360 HydrophobicContact CD2-CG2 3.87Å
256L96.6Very high95.3Very high24 Ų2442 Ų4213%0.12620%0.202CC..SBendtrans-110.8156.2-174.9-48.8-176.3000111.3V252 I258 Y263 L348 A351V252-L256 HydrophobicContact CG1-CD1 4.34Å; V252-L256 HydrophobicContact CG2-CD1 4.46Å; V252-L256 VanDerWaalsContact O-CB 3.27Å; V252-L256 WeakPolarHBondContact O-CB 3.47Å; V252-L256 PolarHBondContact O-N 3.41Å; V252-L256 VanDerWaalsContact O-N 3.11Å; L256-I258 HydrophobicContact CB-CD1 4.36Å; L256-I258 HydrophobicContact CB-CG1 4.39Å; L256-I258 PolarHBondContact O-N 3.49Å; L256-Y263 HydrophobicContact CD1-CE2 4.06Å; L256-L348 HydrophobicContact CD1-CD2 3.75Å; L256-A351 HydrophobicContact CD1-CB 4.02Å; L256-A351 HydrophobicContact CD2-CB 3.83Å
257D94.4Very high94.1Very high115 Ų11543.9 Ų43.962%0.61521%0.213SC*.  trans-80.585.6176.7-170.530.9000110.1K259D257-K259 WeakPolarHBondContact OD1-CE 3.16Å; D257-K259 IonicContact OD1-NZ 3.96Å; D257-K259 WeakPolarHBondContact OD2-CE 3.25Å; D257-K259 IonicContact OD2-NZ 3.02Å
258I95.8Very high92.4Very high25 Ų2549.6 Ų49.613%0.12825%0.249CC..EExtended strand (participates in β ladder)trans-100.5123.3173.9-51.9-60.3000108.6V252 Y253 L256 Y263 L280V252-I258 HydrophobicContact CG1-CD1 3.98Å; V252-I258 HydrophobicContact CG1-CG1 3.91Å; Y253-I258 HydrophobicContact CD1-CB 4.29Å; Y253-I258 HydrophobicContact CD1-CG2 4.12Å; Y253-I258 HydrophobicContact CE1-CB 4.37Å; Y253-I258 HydrophobicContact CE1-CG2 3.7Å; Y253-I258 HydrophobicContact CE2-CG2 4.47Å; L256-I258 HydrophobicContact CB-CD1 4.36Å; L256-I258 HydrophobicContact CB-CG1 4.39Å; L256-I258 PolarHBondContact O-N 3.49Å; I258-Y263 HydrophobicContact CD1-CD2 3.46Å; I258-Y263 VanDerWaalsContact CD1-CD2 3.46Å; I258-Y263 HydrophobicContact CD1-CE2 4.4Å; I258-Y263 HydrophobicContact CD1-CG 3.93Å; I258-L280 HydrophobicContact CD1-CD1 4.2Å
259K92.1Very high90.4Very high129 Ų12951.9 Ų51.956%0.56127%0.272SS*.EExtended strand (participates in β ladder)trans-123.2121.1178.8-63.5-175.9-173.3172.50109.6D257 D261 I262D257-K259 WeakPolarHBondContact OD1-CE 3.16Å; D257-K259 IonicContact OD1-NZ 3.96Å; D257-K259 WeakPolarHBondContact OD2-CE 3.25Å; D257-K259 IonicContact OD2-NZ 3.02Å; K259-D261 PolarHBondContact O-N 2.87Å; K259-I262 PolarHBondContact N-O 3.16Å; K259-I262 WeakPolarHBondContact O-CB 3.2Å; K259-I262 PolarHBondContact O-N 2.94Å
260Q88.7Confident87.8Confident149 Ų14959 Ų5970%0.69631%0.309SS*.THydrogen-bonded Turntrans50.145.4-177-58.3179.6-45.900111.5I262Q260-I262 PolarHBondContact O-N 2.84Å
261D94.2Very high85.6Confident41 Ų4161.7 Ų61.722%0.21934%0.337CS..THydrogen-bonded Turntrans63.89.3179.9-41.9-35.3000114.6Y139 Y253 K259 L279 L280Y139-D261 WeakPolarHBondContact CE2-OD2 3.32Å; Y139-D261 PolarHBondContact OH-OD1 2.75Å; Y253-D261 WeakPolarHBondContact CE1-OD1 3.39Å; Y253-D261 WeakPolarHBondContact OH-CB 3.38Å; Y253-D261 PolarHBondContact OH-OD1 3.37Å; Y253-D261 VanDerWaalsContact OH-OD1 3.07Å; K259-D261 PolarHBondContact O-N 2.87Å; D261-L279 HydrophobicContact CB-CD1 3.99Å; D261-L280 PolarHBondContact O-N 2.97Å
262I95.6Very high83.7Confident50 Ų5067.9 Ų67.926%0.25637%0.371SS..EExtended strand (participates in β ladder)trans-94.2119.6177-60.1169000109.7K259 Q260 K264 E277 V278 L279K259-I262 PolarHBondContact N-O 3.16Å; K259-I262 WeakPolarHBondContact O-CB 3.2Å; K259-I262 PolarHBondContact O-N 2.94Å; Q260-I262 PolarHBondContact O-N 2.84Å; I262-K264 HydrophobicContact CG2-CG 4.19Å; I262-E277 HydrophobicContact CG2-CB 3.99Å; I262-V278 WeakPolarHBondContact CA-O 3.45Å; I262-L279 HydrophobicContact CG1-CD1 4.09Å
263Y95.4Very high82.1Confident13 Ų1371.7 Ų71.75%0.05140%0.397CS..EExtended strand (participates in β ladder)trans-93.8126.1169.2-178.9-132.6000111.1L256 I258 Y265 E277 V278 T344 H347 L348L256-Y263 HydrophobicContact CD1-CE2 4.06Å; I258-Y263 HydrophobicContact CD1-CD2 3.46Å; I258-Y263 VanDerWaalsContact CD1-CD2 3.46Å; I258-Y263 HydrophobicContact CD1-CE2 4.4Å; I258-Y263 HydrophobicContact CD1-CG 3.93Å; Y263-Y265 AromaticContact CD1-CD1 3.51Å; Y263-Y265 HydrophobicContact CD1-CD1 3.51Å; Y263-Y265 HydrophobicContact CD1-CE1 4.04Å; Y263-Y265 HydrophobicContact CD1-CG 4.33Å; Y263-Y265 AromaticContact CE1-CD1 3.36Å; Y263-Y265 HydrophobicContact CE1-CD1 3.36Å; Y263-Y265 HydrophobicContact CE1-CE1 4.05Å; Y263-Y265 AromaticContact CE1-CG 3.74Å; Y263-Y265 HydrophobicContact CE1-CG 3.74Å; Y263-Y265 HydrophobicContact CG-CD1 4.45Å; Y263-E277 WeakPolarHBondContact O-CA 3.36Å; Y263-V278 PolarHBondContact N-O 3.43Å; Y263-V278 PolarHBondContact O-N 2.87Å; Y263-T344 HydrophobicContact CD1-CG2 4.39Å; Y263-H347 AromaticContact CE1-ND1 3.6Å; Y263-H347 AromaticContact CZ-ND1 3.59Å; Y263-H347 PolarHBondContact OH-CE1 3.49Å; Y263-H347 PolarHBondContact OH-ND1 3.35Å; Y263-L348 HydrophobicContact CD1-CD1 4.47Å; Y263-L348 HydrophobicContact CD1-CD2 3.48Å; Y263-L348 VanDerWaalsContact CD1-CD2 3.48Å; Y263-L348 HydrophobicContact CD1-CG 3.83Å; Y263-L348 HydrophobicContact CD2-CD2 4Å; Y263-L348 HydrophobicContact CE1-CD2 3.46Å; Y263-L348 VanDerWaalsContact CE1-CD2 3.46Å; Y263-L348 HydrophobicContact CE1-CG 3.72Å; Y263-L348 HydrophobicContact CE2-CD2 3.99Å; Y263-L348 HydrophobicContact CG-CD2 3.74Å
264K93.9Very high81.1Confident103 Ų10378.3 Ų78.345%0.44843%0.426SS..EExtended strand (participates in β ladder)trans-109.6128.9175.1-52.2-163.4-174.5-1620110.8I262 K276 E277I262-K264 HydrophobicContact CG2-CG 4.19Å; K264-K276 WeakPolarHBondContact CA-O 3.36Å; K264-E277 HydrophobicContact CD-CG 4.08Å; K264-E277 WeakPolarHBondContact CD-OE1 3.16Å; K264-E277 WeakPolarHBondContact CE-OE1 3.35Å; K264-E277 HydrophobicContact CG-CG 4.03Å; K264-E277 IonicContact NZ-OE1 3.3Å; K264-E277 PolarHBondContact NZ-OE1 3.02Å
265Y89.6Confident80.6Confident12 Ų1283.6 Ų83.65%0.04745%0.45CS..EExtended strand (participates in β ladder)trans-150.8155.8175.571.6-78.7000113Y263 T267 K276 V278 T344 H347Y263-Y265 AromaticContact CD1-CD1 3.51Å; Y263-Y265 HydrophobicContact CD1-CD1 3.51Å; Y263-Y265 HydrophobicContact CD1-CE1 4.04Å; Y263-Y265 HydrophobicContact CD1-CG 4.33Å; Y263-Y265 AromaticContact CE1-CD1 3.36Å; Y263-Y265 HydrophobicContact CE1-CD1 3.36Å; Y263-Y265 HydrophobicContact CE1-CE1 4.05Å; Y263-Y265 AromaticContact CE1-CG 3.74Å; Y263-Y265 HydrophobicContact CE1-CG 3.74Å; Y263-Y265 HydrophobicContact CG-CD1 4.45Å; Y265-T267 VanDerWaalsContact CE2-OG1 3.3Å; Y265-T267 WeakPolarHBondContact CE2-OG1 3.31Å; Y265-K276 HydrophobicContact CE1-CB 4.29Å; Y265-K276 HydrophobicContact CE1-CD 3.96Å; Y265-K276 HydrophobicContact CE1-CG 4.37Å; Y265-K276 PolarHBondContact N-O 2.88Å; Y265-K276 PolarHBondContact O-N 3.05Å; Y265-K276 WeakPolarHBondContact OH-CD 3.12Å; Y265-K276 PolarHBondContact OH-NZ 3.44Å; Y265-V278 HydrophobicContact CE1-CG2 3.93Å; Y265-T344 HydrophobicContact CE1-CG2 4.19Å; Y265-T344 PolarHBondContact OH-OG1 2.81Å; Y265-H347 WeakPolarHBondContact CB-CE1 3.37Å; Y265-H347 HydrophobicContact CD2-CB 4.31Å; Y265-H347 AromaticContact CD2-CD2 3.6Å; Y265-H347 AromaticContact CD2-CE1 3.64Å; Y265-H347 AromaticContact CD2-CG 3.57Å; Y265-H347 AromaticContact CD2-ND1 3.58Å; Y265-H347 AromaticContact CD2-NE2 3.65Å; Y265-H347 HydrophobicContact CE2-CB 4.12Å; Y265-H347 AromaticContact CE2-CG 3.85Å; Y265-H347 AromaticContact CG-CE1 3.74Å; Y265-H347 AromaticContact CG-ND1 3.68Å
266Q84.1Confident80.1Confident135 Ų13585.3 Ų85.363%0.63146%0.457SS*.EExtended strand (participates in β ladder)trans-88.3128.1177.2-67.3-177-4.900110.5
267T72.6Confident79.9Confident43 Ų4389.3 Ų89.326%0.26448%0.475SS..EExtended strand (participates in β ladder)trans-99.6130.1170.6-67.20000110.1Y265 G269 K274Y265-T267 VanDerWaalsContact CE2-OG1 3.3Å; Y265-T267 WeakPolarHBondContact CE2-OG1 3.31Å; T267-G269 PolarHBondContact O-N 3.48Å; T267-K274 PolarHBondContact N-O 3.05Å; T267-K274 VanDerWaalsContact N-O 3.09Å
268T62.9Low79.9Confident134 Ų13484.8 Ų84.882%0.82245%0.452SS*.  trans-77.285.5170.9400000110.3
269G56.5Low79.8Confident47 Ų4787.8 Ų87.849%0.48547%0.467SS..  trans-95.4166.7166.900000112.3T267 G271T267-G269 PolarHBondContact O-N 3.48Å; G269-G271 PolarHBondContact O-N 2.67Å
270I44.5Very low79.9Confident153 Ų15381.9 Ų81.979%0.78544%0.442SS*.SBendtrans-68.3114.6173.8-59-172.8000108.8
271G52.3Low80.1Confident66 Ų6676.7 Ų76.768%0.6842%0.419SS*.SBendtrans115.5-22.915700000116.9G269G269-G271 PolarHBondContact O-N 2.67Å
272D58.1Low80.1Confident131 Ų13176.3 Ų76.370%0.70142%0.416SS*.SBendtrans-167.3141.5168.3-93.5-36.2000108.8K274D272-K274 PolarHBondContact O-N 3.38Å
273S64.4Low79.9Confident80 Ų8078.3 Ų78.356%0.55943%0.427SS*.  trans-63.4106.4170.351.30000108.8
274K76.4Confident79.8Confident160 Ų16078 Ų7870%0.69643%0.426SS*.EExtended strand (participates in β ladder)trans-89.8124.7174.3-68.9-172.1179.2-174.90109.2T267 D272T267-K274 PolarHBondContact N-O 3.05Å; T267-K274 VanDerWaalsContact N-O 3.09Å; D272-K274 PolarHBondContact O-N 3.38Å
275E86.7Confident79.7Confident130 Ų13079.9 Ų79.961%0.60744%0.437SS*.EExtended strand (participates in β ladder)trans-67.3130.5164.7-173.2170.6-138.400108.3
276K88.1Confident79.9Confident51 Ų5180.1 Ų80.122%0.22244%0.439CS..EExtended strand (participates in β ladder)trans-118.4129.6177.8-171-175.3174.5-1630108.2K264 Y265 V278 S340 T344K264-K276 WeakPolarHBondContact CA-O 3.36Å; Y265-K276 HydrophobicContact CE1-CB 4.29Å; Y265-K276 HydrophobicContact CE1-CD 3.96Å; Y265-K276 HydrophobicContact CE1-CG 4.37Å; Y265-K276 PolarHBondContact N-O 2.88Å; Y265-K276 PolarHBondContact O-N 3.05Å; Y265-K276 WeakPolarHBondContact OH-CD 3.12Å; Y265-K276 PolarHBondContact OH-NZ 3.44Å; K276-V278 HydrophobicContact CD-CG2 4.13Å; K276-V278 HydrophobicContact CG-CG2 4.08Å; K276-S340 WeakPolarHBondContact CE-OG 3.42Å; K276-S340 PolarHBondContact NZ-O 3.31Å; K276-S340 PolarHBondContact NZ-OG 3.12Å; K276-T344 PolarHBondContact NZ-OG1 2.58Å; K276-T344 VanDerWaalsContact NZ-OG1 3.17Å
277E92.6Very high80.5Confident109 Ų10973.8 Ų73.851%0.50941%0.409SS..EExtended strand (participates in β ladder)trans-105132.5173.7-54.1-168.7161.600108.7I262 Y263 K264I262-E277 HydrophobicContact CG2-CB 3.99Å; Y263-E277 WeakPolarHBondContact O-CA 3.36Å; K264-E277 HydrophobicContact CD-CG 4.08Å; K264-E277 WeakPolarHBondContact CD-OE1 3.16Å; K264-E277 WeakPolarHBondContact CE-OE1 3.35Å; K264-E277 HydrophobicContact CG-CG 4.03Å; K264-E277 IonicContact NZ-OE1 3.3Å; K264-E277 PolarHBondContact NZ-OE1 3.02Å
278V93.4Very high81.6Confident19 Ų1975 Ų7512%0.11541%0.413CS..EExtended strand (participates in β ladder)trans-134.6127.1-179.9-176.40000109.1I262 Y263 Y265 K276 T344I262-V278 WeakPolarHBondContact CA-O 3.45Å; Y263-V278 PolarHBondContact N-O 3.43Å; Y263-V278 PolarHBondContact O-N 2.87Å; Y265-V278 HydrophobicContact CE1-CG2 3.93Å; K276-V278 HydrophobicContact CD-CG2 4.13Å; K276-V278 HydrophobicContact CG-CG2 4.08Å; V278-T344 HydrophobicContact CB-CG2 4.08Å; V278-T344 HydrophobicContact CG1-CG2 3.84Å; V278-T344 HydrophobicContact CG2-CG2 4.07Å
279L93.8Very high83.2Confident88 Ų8873.4 Ų73.446%0.46140%0.397SS..EExtended strand (participates in β ladder)trans-80.4131.3172.7-175.863.8000109.6D261 I262 D281D261-L279 HydrophobicContact CB-CD1 3.99Å; I262-L279 HydrophobicContact CG1-CD1 4.09Å; L279-D281 HydrophobicContact CD2-CB 4.45Å; L279-D281 VanDerWaalsContact CD2-OD2 3.28Å; L279-D281 WeakPolarHBondContact CD2-OD2 3.48Å; L279-D281 HydrophobicContact CG-CB 4.25Å
280L94.8Very high85.1Confident6 Ų671.2 Ų71.23%0.03137%0.373CS..  trans-99.286.4178.8-57.5-179000110.2V252 Y253 I258 D261 W287 L348V252-L280 HydrophobicContact CG1-CD1 4.07Å; Y253-L280 HydrophobicContact CE2-CD1 4.18Å; I258-L280 HydrophobicContact CD1-CD1 4.2Å; D261-L280 PolarHBondContact O-N 2.97Å; L280-W287 HydrophobicContact CB-CZ2 4.27Å; L280-W287 HydrophobicContact CD1-CH2 4.1Å; L280-W287 HydrophobicContact CD1-CZ2 4.39Å; L280-W287 HydrophobicContact CD1-CZ3 4.46Å; L280-L348 HydrophobicContact CD2-CD1 3.92Å
281D93.1Very high87.6Confident40 Ų4064.1 Ų64.121%0.21434%0.337CS..SBendtrans-132-175.1-176.667.39.3000113L279 D283 D284 W287L279-D281 HydrophobicContact CD2-CB 4.45Å; L279-D281 VanDerWaalsContact CD2-OD2 3.28Å; L279-D281 WeakPolarHBondContact CD2-OD2 3.48Å; L279-D281 HydrophobicContact CG-CB 4.25Å; D281-D283 PolarHBondContact O-N 3.41Å; D281-D283 WeakPolarHBondContact OD1-CB 3.29Å; D281-D283 PolarHBondContact OD1-N 2.81Å; D281-D284 PolarHBondContact O-N 3.26Å; D281-W287 VanDerWaalsContact O-CD1 3.31Å
282E93.4Very high89.8Confident33 Ų3362.1 Ų62.115%0.15431%0.31CS..THydrogen-bonded Turntrans-82.16178.4-66.2-168.1149.900113.5K7 E140 S141 D284 I288 R291K7-E282 HydrophobicContact CD-CB 4.07Å; K7-E282 HydrophobicContact CD-CG 4.37Å; K7-E282 VanDerWaalsContact CD-OE2 3.28Å; K7-E282 WeakPolarHBondContact CD-OE2 3.39Å; K7-E282 WeakPolarHBondContact CE-OE2 3.28Å; E140-E282 WeakPolarHBondContact CB-OE1 3.38Å; S141-E282 WeakPolarHBondContact CB-OE1 3.21Å; S141-E282 PolarHBondContact N-OE1 3.26Å; S141-E282 PolarHBondContact N-OE2 2.96Å; S141-E282 PolarHBondContact OG-OE1 3.46Å; E282-D284 VanDerWaalsContact C-N 3.25Å; E282-I288 HydrophobicContact CB-CD1 3.91Å; E282-I288 HydrophobicContact CB-CG1 4.19Å; E282-I288 HydrophobicContact CG-CD1 4.24Å; E282-I288 HydrophobicContact CG-CG1 4.1Å; E282-I288 WeakPolarHBondContact O-CD1 3.27Å; E282-R291 IonicContact OE1-CZ 3.8Å; E282-R291 IonicContact OE1-NH1 3.82Å; E282-R291 PolarHBondContact OE1-NH1 3Å; E282-R291 IonicContact OE1-NH2 3.72Å; E282-R291 PolarHBondContact OE1-NH2 3.48Å
283D90.4Very high91.7Very high92 Ų9258.1 Ų58.149%0.49229%0.287SS..THydrogen-bonded Turntrans-78.4-16.5166.4-77.5-34.9000112.1K46 D281K46-D283 WeakPolarHBondContact CE-OD1 3.46Å; K46-D283 WeakPolarHBondContact CE-OD2 3.37Å; K46-D283 VanDerWaalsContact NZ-CG 3.3Å; K46-D283 IonicContact NZ-OD1 3.9Å; K46-D283 PolarHBondContact NZ-OD1 3.24Å; K46-D283 IonicContact NZ-OD2 3.73Å; D281-D283 PolarHBondContact O-N 3.41Å; D281-D283 WeakPolarHBondContact OD1-CB 3.29Å; D281-D283 PolarHBondContact OD1-N 2.81Å
284D93.5Very high93.2Very high5 Ų555.4 Ų55.43%0.02727%0.266CS..  trans-93.2100.9172-174.5-12.4000111.1D281 E282 L286 W287 I288 H345D281-D284 PolarHBondContact O-N 3.26Å; E282-D284 VanDerWaalsContact C-N 3.25Å; D284-L286 PolarHBondContact O-N 2.96Å; D284-L286 WeakPolarHBondContact OD1-CA 3.49Å; D284-L286 VanDerWaalsContact OD1-CB 3.28Å; D284-L286 WeakPolarHBondContact OD1-CB 3.43Å; D284-L286 PolarHBondContact OD1-N 3.15Å; D284-W287 HydrophobicContact CB-CB 3.82Å; D284-W287 WeakPolarHBondContact O-CB 3.42Å; D284-W287 PolarHBondContact O-N 3.42Å; D284-W287 PolarHBondContact OD1-N 3.29Å; D284-I288 PolarHBondContact O-N 2.97Å; D284-H345 IonicContact OD1-NE2 3.72Å; D284-H345 IonicContact OD2-CD2 3.8Å; D284-H345 IonicContact OD2-CE1 3.94Å; D284-H345 PolarHBondContact OD2-CE1 2.56Å; D284-H345 IonicContact OD2-NE2 2.78Å; D284-H345 PolarHBondContact OD2-NE2 3.21Å
285E92.3Very high94.2Very high144 Ų14448.2 Ų48.267%0.67324%0.235SC*.Hα-helixtrans-60-28.2177-66-174.5175.400113.4Q289E285-Q289 WeakPolarHBondContact O-CG 3.32Å; E285-Q289 PolarHBondContact O-N 3.46Å; E285-Q289 PolarHBondContact O-NE2 3.15Å
286L94.3Very high94.6Very high16 Ų1644.2 Ų44.28%0.08422%0.224CC..Hα-helixtrans-69.9-42174.2-76.8110.1000110.6D284 I288 Q289 L290 L305 L341 Y342D284-L286 PolarHBondContact O-N 2.96Å; D284-L286 WeakPolarHBondContact OD1-CA 3.49Å; D284-L286 VanDerWaalsContact OD1-CB 3.28Å; D284-L286 WeakPolarHBondContact OD1-CB 3.43Å; D284-L286 PolarHBondContact OD1-N 3.15Å; L286-I288 VanDerWaalsContact C-N 3.33Å; L286-I288 PolarHBondContact O-N 3.48Å; L286-Q289 PolarHBondContact O-N 2.77Å; L286-L290 HydrophobicContact CB-CD1 4.23Å; L286-L290 WeakPolarHBondContact O-CB 3.34Å; L286-L290 WeakPolarHBondContact O-CD1 3.45Å; L286-L290 WeakPolarHBondContact O-CG 3.4Å; L286-L290 PolarHBondContact O-N 2.9Å; L286-L305 HydrophobicContact CD2-CD1 4.24Å; L286-L341 HydrophobicContact CD1-CB 4Å; L286-L341 HydrophobicContact CD1-CD1 4.23Å; L286-Y342 HydrophobicContact CD1-CE2 4.3Å; L286-Y342 HydrophobicContact CD2-CD1 3.67Å; L286-Y342 HydrophobicContact CD2-CE1 3.39Å; L286-Y342 HydrophobicContact CD2-CE2 4.46Å; L286-Y342 HydrophobicContact CD2-CG 4.31Å
287W96.6Very high94.9Very high3 Ų344.7 Ų44.71%0.01123%0.229CC..Hα-helixtrans-57.9-46.6177.2-180-116.1000111.4F248 Q249 V252 Y253 L280 D281 D284 Q289 L290 R291 H345 L348F248-W287 HydrophobicContact CD1-CE3 4.21Å; F248-W287 AromaticContact CD1-CZ3 3.82Å; F248-W287 HydrophobicContact CD1-CZ3 3.82Å; F248-W287 AromaticContact CE1-CE3 3.97Å; F248-W287 HydrophobicContact CE1-CE3 3.97Å; F248-W287 AromaticContact CE1-CZ3 3.7Å; F248-W287 HydrophobicContact CE1-CZ3 3.7Å; F248-W287 HydrophobicContact CZ-CZ3 4.39Å; Q249-W287 HydrophobicContact CB-CH2 3.89Å; Q249-W287 HydrophobicContact CB-CZ2 3.82Å; Q249-W287 HydrophobicContact CG-CH2 4.24Å; Q249-W287 HydrophobicContact CG-CZ2 3.78Å; V252-W287 HydrophobicContact CG1-CH2 4.44Å; Y253-W287 HydrophobicContact CE2-CH2 4.24Å; Y253-W287 AromaticContact CE2-CZ2 3.98Å; Y253-W287 HydrophobicContact CE2-CZ2 3.98Å; L280-W287 HydrophobicContact CB-CZ2 4.27Å; L280-W287 HydrophobicContact CD1-CH2 4.1Å; L280-W287 HydrophobicContact CD1-CZ2 4.39Å; L280-W287 HydrophobicContact CD1-CZ3 4.46Å; D281-W287 VanDerWaalsContact O-CD1 3.31Å; D284-W287 HydrophobicContact CB-CB 3.82Å; D284-W287 WeakPolarHBondContact O-CB 3.42Å; D284-W287 PolarHBondContact O-N 3.42Å; D284-W287 PolarHBondContact OD1-N 3.29Å; W287-Q289 VanDerWaalsContact C-N 3.29Å; W287-Q289 PolarHBondContact O-N 3.46Å; W287-L290 PolarHBondContact O-N 2.88Å; W287-L290 VanDerWaalsContact O-N 3.14Å; W287-R291 HydrophobicContact CD2-CB 4.25Å; W287-R291 HydrophobicContact CZ2-CB 4.3Å; W287-R291 VanDerWaalsContact O-CB 3.24Å; W287-R291 WeakPolarHBondContact O-CB 3.23Å; W287-R291 WeakPolarHBondContact O-CG 3.43Å; W287-R291 PolarHBondContact O-N 3.35Å; W287-H345 AromaticContact CE3-CE1 3.7Å; W287-H345 AromaticContact CE3-ND1 3.99Å; W287-L348 HydrophobicContact CZ3-CD1 4.44Å
288I95.9Very high95.1Very high68 Ų6839.5 Ų39.535%0.34921%0.205SC..Hα-helixtrans-57.2-42.8177.1-61.2172.5000111.6E282 D284 L286E282-I288 HydrophobicContact CB-CD1 3.91Å; E282-I288 HydrophobicContact CB-CG1 4.19Å; E282-I288 HydrophobicContact CG-CD1 4.24Å; E282-I288 HydrophobicContact CG-CG1 4.1Å; E282-I288 WeakPolarHBondContact O-CD1 3.27Å; D284-I288 PolarHBondContact O-N 2.97Å; L286-I288 VanDerWaalsContact C-N 3.33Å; L286-I288 PolarHBondContact O-N 3.48Å
289Q95.4Very high95Very high101 Ų10141.4 Ų41.447%0.47222%0.216SC..Hα-helixtrans-71.1-30.5-179.7-70.9178.44800113.1E285 L286 W287E285-Q289 WeakPolarHBondContact O-CG 3.32Å; E285-Q289 PolarHBondContact O-N 3.46Å; E285-Q289 PolarHBondContact O-NE2 3.15Å; L286-Q289 PolarHBondContact O-N 2.77Å; W287-Q289 VanDerWaalsContact C-N 3.29Å; W287-Q289 PolarHBondContact O-N 3.46Å
290L97.5Very high94.9Very high0 Ų044.2 Ų44.20%023%0.225CC..Hα-helixtrans-98.3-29.3-171.7-62.6168.4000113.5F248 L286 W287 H292 M293 V298 K301 V302 H345F248-L290 WeakPolarHBondContact CB-O 3.49Å; F248-L290 HydrophobicContact CD1-CB 3.69Å; F248-L290 HydrophobicContact CE1-CB 4Å; F248-L290 HydrophobicContact CE1-CD1 4.39Å; L286-L290 HydrophobicContact CB-CD1 4.23Å; L286-L290 WeakPolarHBondContact O-CB 3.34Å; L286-L290 WeakPolarHBondContact O-CD1 3.45Å; L286-L290 WeakPolarHBondContact O-CG 3.4Å; L286-L290 PolarHBondContact O-N 2.9Å; W287-L290 PolarHBondContact O-N 2.88Å; W287-L290 VanDerWaalsContact O-N 3.14Å; L290-H292 PolarHBondContact O-N 3.4Å; L290-M293 HydrophobicContact CD2-CE 4.35Å; L290-M293 VanDerWaalsContact O-CB 3.27Å; L290-M293 WeakPolarHBondContact O-CB 3.5Å; L290-M293 PolarHBondContact O-N 3.18Å; L290-V298 HydrophobicContact CD2-CG1 4.44Å; L290-K301 HydrophobicContact CD2-CB 4.03Å; L290-K301 HydrophobicContact CD2-CG 3.89Å; L290-V302 HydrophobicContact CD1-CG2 3.49Å; L290-V302 VanDerWaalsContact CD1-CG2 3.49Å; L290-V302 HydrophobicContact CD2-CG2 3.91Å; L290-V302 HydrophobicContact CG-CG2 4.37Å; L290-H345 HydrophobicContact CD1-CB 4.01Å
291R97.6Very high94.9Very high4 Ų446.8 Ų46.82%0.01524%0.236CC..THydrogen-bonded Turntrans-53.5-34.7-166.561.8170.9-171.7-148.4-10.2114.8E140 Q249 E282 W287 Y552E140-R291 IonicContact OE1-CZ 3.81Å; E140-R291 IonicContact OE1-NE 2.68Å; E140-R291 IonicContact OE1-NH1 3.24Å; E140-R291 PolarHBondContact OE1-NH1 3.17Å; E140-R291 IonicContact OE2-CZ 2.73Å; E140-R291 IonicContact OE2-NE 3.73Å; E140-R291 IonicContact OE2-NH1 3.57Å; E140-R291 PolarHBondContact OE2-NH1 2.83Å; E140-R291 IonicContact OE2-NH2 3.53Å; Q249-R291 HydrophobicContact CB-CB 3.79Å; Q249-R291 VanDerWaalsContact CB-O 3.25Å; Q249-R291 WeakPolarHBondContact CB-O 3.26Å; Q249-R291 PolarHBondContact N-O 3.02Å; E282-R291 IonicContact OE1-CZ 3.8Å; E282-R291 IonicContact OE1-NH1 3.82Å; E282-R291 PolarHBondContact OE1-NH1 3Å; E282-R291 IonicContact OE1-NH2 3.72Å; E282-R291 PolarHBondContact OE1-NH2 3.48Å; W287-R291 HydrophobicContact CD2-CB 4.25Å; W287-R291 HydrophobicContact CZ2-CB 4.3Å; W287-R291 VanDerWaalsContact O-CB 3.24Å; W287-R291 WeakPolarHBondContact O-CB 3.23Å; W287-R291 WeakPolarHBondContact O-CG 3.43Å; W287-R291 PolarHBondContact O-N 3.35Å; R291-Y552 PolarHBondContact NH2-OH 3.39Å
292H97.6Very high94.8Very high24 Ų2444.9 Ų44.911%0.11123%0.226CC..THydrogen-bonded Turntrans-101.32.7-178.6-60-32.5000113.8Q249 L290 R549 Y552Q249-H292 PolarHBondContact OE1-CE1 3.48Å; Q249-H292 VanDerWaalsContact OE1-CE1 3.27Å; L290-H292 PolarHBondContact O-N 3.4Å; H292-R549 HydrophobicContact CB-CG 3.95Å; H292-Y552 AromaticContact CD2-CD2 3.86Å; H292-Y552 AromaticContact CD2-CG 3.92Å; H292-Y552 AromaticContact CE1-CD2 3.86Å; H292-Y552 AromaticContact NE2-CD2 3.11Å; H292-Y552 WeakPolarHBondContact NE2-CD2 3.41Å; H292-Y552 AromaticContact NE2-CE2 3.38Å; H292-Y552 WeakPolarHBondContact NE2-CE2 3.39Å; H292-Y552 AromaticContact NE2-CG 3.59Å
293M97.2Very high94.6Very high47 Ų4745.6 Ų45.623%0.23223%0.232CC..SBendtrans-78.8147.3178-167.6174.3-58.200110.7T247 F248 L290 D297 V298 K301T247-M293 CarbonylContact C-O 3.51Å; T247-M293 WeakPolarHBondContact CA-O 3.39Å; F248-M293 PolarHBondContact N-O 2.82Å; L290-M293 HydrophobicContact CD2-CE 4.35Å; L290-M293 VanDerWaalsContact O-CB 3.27Å; L290-M293 WeakPolarHBondContact O-CB 3.5Å; L290-M293 PolarHBondContact O-N 3.18Å; M293-D297 HydrophobicContact CG-CB 3.98Å; M293-D297 HydrophobicContact SD-CB 3.81Å; M293-V298 HydrophobicContact CB-CG2 4.14Å; M293-V298 HydrophobicContact CG-CG2 4.33Å; M293-K301 HydrophobicContact CE-CB 4.14Å; M293-K301 HydrophobicContact CE-CD 4.15Å; M293-K301 HydrophobicContact CE-CG 3.77Å; M293-K301 HydrophobicContact SD-CB 3.76Å; M293-K301 HydrophobicContact SD-CG 4.1Å
294H97.4Very high94.6Very high24 Ų2445.2 Ų45.211%0.11123%0.228CC..BIsolated β-bridgetrans-67.5138.5173.2-166.8-92.2000111L246 A296 D297 V298 Y470 S473L246-H294 WeakPolarHBondContact CB-NE2 3.33Å; H294-A296 WeakPolarHBondContact ND1-CB 3.29Å; H294-A296 PolarHBondContact ND1-N 3.17Å; H294-A296 PolarHBondContact O-N 3.12Å; H294-D297 PolarHBondContact O-N 3.18Å; H294-V298 PolarHBondContact O-N 3.45Å; H294-Y470 HydrophobicContact CB-CD2 4.21Å; H294-Y470 HydrophobicContact CB-CE2 3.65Å; H294-Y470 AromaticContact CD2-CD2 3.69Å; H294-Y470 AromaticContact CE1-CD1 3.69Å; H294-Y470 AromaticContact CE1-CG 3.71Å; H294-Y470 AromaticContact CG-CD2 3.71Å; H294-Y470 AromaticContact CG-CE2 3.57Å; H294-Y470 AromaticContact CG-CZ 3.87Å; H294-Y470 AromaticContact ND1-CD1 3.79Å; H294-Y470 AromaticContact ND1-CD2 3.95Å; H294-Y470 AromaticContact ND1-CE1 3.67Å; H294-Y470 AromaticContact ND1-CE2 3.84Å; H294-Y470 AromaticContact ND1-CG 3.92Å; H294-Y470 AromaticContact ND1-CZ 3.7Å; H294-Y470 AromaticContact NE2-CD2 3.93Å; H294-Y470 AromaticContact NE2-CG 3.76Å; H294-S473 PolarHBondContact CD2-OG 2.99Å; H294-S473 PolarHBondContact NE2-OG 3.21Å
295I96.3Very high94.5Very high9 Ų946.5 Ų46.55%0.04624%0.235CC..Hα-helixtrans-54.4-32-174.8-17260.7000113.6L246 F248 M251 D297 V298 A349 C352 M353L246-I295 HydrophobicContact CB-CG2 4.2Å; L246-I295 WeakPolarHBondContact O-CB 3.4Å; L246-I295 WeakPolarHBondContact O-CG2 3.23Å; L246-I295 PolarHBondContact O-N 2.96Å; F248-I295 HydrophobicContact CD2-CD1 4.01Å; F248-I295 HydrophobicContact CE2-CD1 4.4Å; M251-I295 HydrophobicContact CE-CG1 4.4Å; M251-I295 HydrophobicContact CE-CG2 4.46Å; M251-I295 HydrophobicContact SD-CB 3.69Å; M251-I295 HydrophobicContact SD-CD1 4.21Å; M251-I295 HydrophobicContact SD-CG1 3.66Å; M251-I295 HydrophobicContact SD-CG2 3.81Å; I295-D297 PolarHBondContact O-N 3.03Å; I295-D297 VanDerWaalsContact O-N 3.17Å; I295-V298 HydrophobicContact CD1-CB 4.39Å; I295-V298 HydrophobicContact CD1-CG2 4.48Å; I295-V298 PolarHBondContact O-N 3.28Å; I295-A349 HydrophobicContact CD1-CB 4.2Å; I295-C352 HydrophobicContact CD1-CB 4.26Å; I295-M353 HydrophobicContact CG1-CG 4.06Å; I295-M353 HydrophobicContact CG1-SD 3.57Å; I295-M353 VanDerWaalsContact CG1-SD 3.57Å; I295-M353 HydrophobicContact CG2-SD 4.26Å
296A94.5Very high94.3Very high46 Ų4639.7 Ų39.738%0.3820%0.203SC..Hα-helixtrans-59.8-25.1177.700000113.9H294 Y470H294-A296 WeakPolarHBondContact ND1-CB 3.29Å; H294-A296 PolarHBondContact ND1-N 3.17Å; H294-A296 PolarHBondContact O-N 3.12Å; A296-Y470 HydrophobicContact CB-CE1 3.85Å
297D95.7Very high93.9Very high60 Ų6045 Ų4532%0.32122%0.222SC..Hα-helixtrans-105.1-21-177.7-66.8-16000112.9M293 H294 I295 T299 K300 K301 Y470M293-D297 HydrophobicContact CG-CB 3.98Å; M293-D297 HydrophobicContact SD-CB 3.81Å; H294-D297 PolarHBondContact O-N 3.18Å; I295-D297 PolarHBondContact O-N 3.03Å; I295-D297 VanDerWaalsContact O-N 3.17Å; D297-T299 PolarHBondContact O-N 2.69Å; D297-K300 WeakPolarHBondContact O-CB 3.5Å; D297-K300 PolarHBondContact O-N 3.06Å; D297-K301 WeakPolarHBondContact O-CB 3.44Å; D297-K301 PolarHBondContact O-N 3.39Å; D297-Y470 PolarHBondContact OD1-OH 3.24Å; D297-Y470 PolarHBondContact OD2-OH 2.88Å
298V95.7Very high93.6Very high0 Ų048.4 Ų48.40%024%0.242CC..Hα-helixtrans-54-56.1-176.5172.90000111.3F248 L290 M293 H294 I295 K300 K301 V302 A349F248-V298 HydrophobicContact CB-CG2 3.78Å; F248-V298 HydrophobicContact CD1-CG1 4.2Å; F248-V298 HydrophobicContact CD1-CG2 4.36Å; F248-V298 HydrophobicContact CD2-CG1 4.05Å; F248-V298 HydrophobicContact CD2-CG2 4.09Å; F248-V298 HydrophobicContact CE1-CG1 4.11Å; F248-V298 HydrophobicContact CE2-CG1 3.97Å; F248-V298 HydrophobicContact CG-CG1 4.16Å; F248-V298 HydrophobicContact CG-CG2 3.83Å; F248-V298 HydrophobicContact CZ-CG1 3.99Å; L290-V298 HydrophobicContact CD2-CG1 4.44Å; M293-V298 HydrophobicContact CB-CG2 4.14Å; M293-V298 HydrophobicContact CG-CG2 4.33Å; H294-V298 PolarHBondContact O-N 3.45Å; I295-V298 HydrophobicContact CD1-CB 4.39Å; I295-V298 HydrophobicContact CD1-CG2 4.48Å; I295-V298 PolarHBondContact O-N 3.28Å; V298-K300 VanDerWaalsContact C-N 3.27Å; V298-K300 PolarHBondContact O-N 3.4Å; V298-K301 PolarHBondContact O-N 2.83Å; V298-V302 HydrophobicContact CG1-CG2 4.08Å; V298-V302 VanDerWaalsContact O-CG2 3.28Å; V298-V302 WeakPolarHBondContact O-CG2 3.35Å; V298-V302 PolarHBondContact O-N 2.84Å; V298-A349 HydrophobicContact CG1-CB 4.07Å
299T91.3Very high93.2Very high59 Ų5946.3 Ų46.336%0.36223%0.231SC..Hα-helixtrans-58.9-39.2-177.6-53.30000112.4D297 T303 L346D297-T299 PolarHBondContact O-N 2.69Å; T299-T303 WeakPolarHBondContact O-CB 3.44Å; T299-T303 PolarHBondContact O-N 3.49Å; T299-T303 VanDerWaalsContact O-N 3.09Å; T299-T303 PolarHBondContact O-OG1 2.64Å; T299-L346 HydrophobicContact CG2-CD2 4.32Å
300K91.8Very high92.6Very high148 Ų14841.5 Ų41.564%0.64321%0.209SC*.Hα-helixtrans-64.2-46.2176.4-63.5175.6-171.8161.80110.1D297 V298 T303 E304D297-K300 WeakPolarHBondContact O-CB 3.5Å; D297-K300 PolarHBondContact O-N 3.06Å; V298-K300 VanDerWaalsContact C-N 3.27Å; V298-K300 PolarHBondContact O-N 3.4Å; K300-T303 PolarHBondContact O-N 3.07Å; K300-E304 WeakPolarHBondContact O-CB 3.44Å; K300-E304 PolarHBondContact O-N 3.38Å
301K94.8Very high92Very high59 Ų5946.8 Ų46.826%0.25723%0.233SC..Hα-helixtrans-63.5-45.3179.7-169.574.3-162.6159.40112.3L290 M293 D297 V298 T303 E304 L305L290-K301 HydrophobicContact CD2-CB 4.03Å; L290-K301 HydrophobicContact CD2-CG 3.89Å; M293-K301 HydrophobicContact CE-CB 4.14Å; M293-K301 HydrophobicContact CE-CD 4.15Å; M293-K301 HydrophobicContact CE-CG 3.77Å; M293-K301 HydrophobicContact SD-CB 3.76Å; M293-K301 HydrophobicContact SD-CG 4.1Å; D297-K301 WeakPolarHBondContact O-CB 3.44Å; D297-K301 PolarHBondContact O-N 3.39Å; V298-K301 PolarHBondContact O-N 2.83Å; K301-T303 VanDerWaalsContact C-N 3.31Å; K301-T303 PolarHBondContact O-N 3.49Å; K301-E304 WeakPolarHBondContact CD-OE2 3.17Å; K301-E304 IonicContact NZ-OE1 3.65Å; K301-E304 IonicContact NZ-OE2 2.76Å; K301-E304 PolarHBondContact NZ-OE2 3.14Å; K301-E304 WeakPolarHBondContact O-CB 3.38Å; K301-E304 PolarHBondContact O-N 3.15Å; K301-L305 HydrophobicContact CG-CD1 4.14Å; K301-L305 HydrophobicContact CG-CG 4.41Å; K301-L305 WeakPolarHBondContact O-CB 3.45Å; K301-L305 VanDerWaalsContact O-CG 3.32Å; K301-L305 WeakPolarHBondContact O-CG 3.26Å; K301-L305 PolarHBondContact O-N 2.66Å
302V92.1Very high91.5Very high0 Ų050.2 Ų50.20%026%0.258CS..Hα-helixtrans-62.4-41.4178.4-174.30000110.9L290 V298 L305 L306 Y342 H345 L346L290-V302 HydrophobicContact CD1-CG2 3.49Å; L290-V302 VanDerWaalsContact CD1-CG2 3.49Å; L290-V302 HydrophobicContact CD2-CG2 3.91Å; L290-V302 HydrophobicContact CG-CG2 4.37Å; V298-V302 HydrophobicContact CG1-CG2 4.08Å; V298-V302 VanDerWaalsContact O-CG2 3.28Å; V298-V302 WeakPolarHBondContact O-CG2 3.35Å; V298-V302 PolarHBondContact O-N 2.84Å; V302-L305 PolarHBondContact O-N 3.08Å; V302-L306 VanDerWaalsContact O-CB 3.31Å; V302-L306 WeakPolarHBondContact O-CB 3.48Å; V302-L306 PolarHBondContact O-N 3.14Å; V302-Y342 HydrophobicContact CG1-CD1 3.79Å; V302-H345 HydrophobicContact CG1-CB 4.39Å; V302-H345 HydrophobicContact CG2-CB 4.15Å; V302-L346 HydrophobicContact CB-CD2 3.99Å; V302-L346 HydrophobicContact CB-CG 4.39Å; V302-L346 HydrophobicContact CG1-CD1 4.33Å; V302-L346 HydrophobicContact CG1-CD2 3.88Å; V302-L346 HydrophobicContact CG1-CG 3.74Å
303T88.6Confident90.9Very high48 Ų4852.8 Ų52.829%0.29427%0.269SS..Hα-helixtrans-66.4-40.5177.2-52.90000111.7T299 K300 K301 L306 R307T299-T303 WeakPolarHBondContact O-CB 3.44Å; T299-T303 PolarHBondContact O-N 3.49Å; T299-T303 VanDerWaalsContact O-N 3.09Å; T299-T303 PolarHBondContact O-OG1 2.64Å; K300-T303 PolarHBondContact O-N 3.07Å; K301-T303 VanDerWaalsContact C-N 3.31Å; K301-T303 PolarHBondContact O-N 3.49Å; T303-L306 PolarHBondContact O-N 3.11Å; T303-R307 WeakPolarHBondContact O-CB 3.39Å; T303-R307 PolarHBondContact O-N 3.28Å
304E91Very high89.8Confident85 Ų8562 Ų6240%0.39730%0.301SS..Hα-helixtrans-60.2-51.2174.2-175.1-162.5178.400111.2K300 K301 L306 R307 V308K300-E304 WeakPolarHBondContact O-CB 3.44Å; K300-E304 PolarHBondContact O-N 3.38Å; K301-E304 WeakPolarHBondContact CD-OE2 3.17Å; K301-E304 IonicContact NZ-OE1 3.65Å; K301-E304 IonicContact NZ-OE2 2.76Å; K301-E304 PolarHBondContact NZ-OE2 3.14Å; K301-E304 WeakPolarHBondContact O-CB 3.38Å; K301-E304 PolarHBondContact O-N 3.15Å; E304-L306 VanDerWaalsContact C-N 3.32Å; E304-L306 PolarHBondContact O-N 2.97Å; E304-R307 WeakPolarHBondContact O-CB 3.45Å; E304-R307 PolarHBondContact O-N 3.28Å; E304-V308 WeakPolarHBondContact O-CG2 3.45Å; E304-V308 PolarHBondContact O-N 3.14Å
305L91.3Very high88.3Confident32 Ų3262.1 Ų62.117%0.16830%0.302CS..Hα-helixtrans-61.3-41179.2-71175000111.4L286 K301 V302 R307 V308 F309 Y342L286-L305 HydrophobicContact CD2-CD1 4.24Å; K301-L305 HydrophobicContact CG-CD1 4.14Å; K301-L305 HydrophobicContact CG-CG 4.41Å; K301-L305 WeakPolarHBondContact O-CB 3.45Å; K301-L305 VanDerWaalsContact O-CG 3.32Å; K301-L305 WeakPolarHBondContact O-CG 3.26Å; K301-L305 PolarHBondContact O-N 2.66Å; V302-L305 PolarHBondContact O-N 3.08Å; L305-R307 VanDerWaalsContact C-N 3.34Å; L305-R307 PolarHBondContact O-N 3.5Å; L305-V308 PolarHBondContact O-N 2.85Å; L305-F309 WeakPolarHBondContact O-CB 3.28Å; L305-F309 PolarHBondContact O-N 2.89Å; L305-Y342 HydrophobicContact CB-CE1 3.73Å; L305-Y342 PolarHBondContact O-OH 3.24Å
306L88.2Confident86.4Confident1 Ų167.2 Ų67.21%0.00534%0.338CS..Hα-helixtrans-62.1-42.4175.817961.9000111.4V302 T303 E304 F309 C310 A320 L325 M328 L339 Y342V302-L306 VanDerWaalsContact O-CB 3.31Å; V302-L306 WeakPolarHBondContact O-CB 3.48Å; V302-L306 PolarHBondContact O-N 3.14Å; T303-L306 PolarHBondContact O-N 3.11Å; E304-L306 VanDerWaalsContact C-N 3.32Å; E304-L306 PolarHBondContact O-N 2.97Å; L306-F309 WeakPolarHBondContact O-CB 3.46Å; L306-F309 PolarHBondContact O-N 3.44Å; L306-C310 PolarHBondContact O-N 3.2Å; L306-C310 PolarHBondContact O-SG 3.24Å; L306-A320 HydrophobicContact CD2-CB 4.1Å; L306-A320 HydrophobicContact CG-CB 4.33Å; L306-L325 HydrophobicContact CD1-CD1 3.86Å; L306-L325 HydrophobicContact CD2-CD1 3.56Å; L306-L325 HydrophobicContact CG-CD1 4.38Å; L306-M328 HydrophobicContact CD1-CE 4.4Å; L306-L339 HydrophobicContact CD1-CD2 3.93Å; L306-Y342 HydrophobicContact CB-CD1 3.7Å; L306-Y342 HydrophobicContact CB-CE1 3.82Å; L306-Y342 HydrophobicContact CB-CG 4.32Å; L306-Y342 HydrophobicContact CD1-CD1 4.12Å; L306-Y342 HydrophobicContact CD1-CD2 4Å; L306-Y342 HydrophobicContact CD1-CE2 4.42Å; L306-Y342 HydrophobicContact CD1-CG 3.86Å; L306-Y342 HydrophobicContact CG-CD1 4.44Å; L306-Y342 VanDerWaalsContact N-CE1 3.27Å
307R86.3Confident84.7Confident128 Ų12867.1 Ų67.148%0.48333%0.333SS..Hα-helixtrans-63-49177-176.1-178.166.7134.4-1.4111.3T303 E304 L305 F309 C310 E311T303-R307 WeakPolarHBondContact O-CB 3.39Å; T303-R307 PolarHBondContact O-N 3.28Å; E304-R307 WeakPolarHBondContact O-CB 3.45Å; E304-R307 PolarHBondContact O-N 3.28Å; L305-R307 VanDerWaalsContact C-N 3.34Å; L305-R307 PolarHBondContact O-N 3.5Å; R307-F309 VanDerWaalsContact C-N 3.26Å; R307-F309 PolarHBondContact O-N 3.21Å; R307-C310 WeakPolarHBondContact O-CB 3.38Å; R307-C310 PolarHBondContact O-N 3.19Å; R307-C310 VanDerWaalsContact O-N 3.13Å; R307-E311 HydrophobicContact CG-CG 4.49Å; R307-E311 WeakPolarHBondContact CG-OE1 3.27Å; R307-E311 IonicContact NE-OE1 3.76Å; R307-E311 IonicContact NH1-OE1 2.77Å; R307-E311 WeakPolarHBondContact O-CG 3.46Å; R307-E311 PolarHBondContact O-N 2.84Å
308V88.8Confident82.7Confident73 Ų7372 Ų7244%0.44236%0.359SS..Hα-helixtrans-58.3-41.4176.91710000110.8E304 L305 E311 S312E304-V308 WeakPolarHBondContact O-CG2 3.45Å; E304-V308 PolarHBondContact O-N 3.14Å; L305-V308 PolarHBondContact O-N 2.85Å; V308-E311 PolarHBondContact O-N 2.91Å; V308-S312 WeakPolarHBondContact O-CB 3.45Å; V308-S312 PolarHBondContact O-N 3.29Å
309F87.5Confident80.8Confident24 Ų2479.6 Ų79.611%0.10539%0.392CS..Hα-helixtrans-59.6-49.7174.6175.7-96.5000111.6L305 L306 R307 E311 S312 K313 Y335 E338 L339 Y342L305-F309 WeakPolarHBondContact O-CB 3.28Å; L305-F309 PolarHBondContact O-N 2.89Å; L306-F309 WeakPolarHBondContact O-CB 3.46Å; L306-F309 PolarHBondContact O-N 3.44Å; R307-F309 VanDerWaalsContact C-N 3.26Å; R307-F309 PolarHBondContact O-N 3.21Å; F309-E311 PolarHBondContact O-N 3.49Å; F309-S312 PolarHBondContact O-N 3.1Å; F309-S312 PolarHBondContact O-OG 3.35Å; F309-K313 HydrophobicContact CE1-CG 4.38Å; F309-K313 HydrophobicContact CE2-CG 4.32Å; F309-K313 HydrophobicContact CZ-CG 4.11Å; F309-K313 WeakPolarHBondContact O-CG 3.39Å; F309-K313 PolarHBondContact O-N 3.36Å; F309-Y335 HydrophobicContact CZ-CD1 4.18Å; F309-Y335 HydrophobicContact CZ-CG 4.1Å; F309-E338 HydrophobicContact CE2-CB 4.3Å; F309-E338 WeakPolarHBondContact CE2-OE2 3.42Å; F309-E338 HydrophobicContact CZ-CB 4.14Å; F309-E338 WeakPolarHBondContact CZ-OE2 3.42Å; F309-L339 HydrophobicContact CD1-CD2 4.4Å; F309-L339 HydrophobicContact CE1-CD2 4.07Å; F309-L339 HydrophobicContact CE1-CG 4.44Å; F309-Y342 HydrophobicContact CB-CE2 4.38Å; F309-Y342 HydrophobicContact CG-CE2 4.27Å
310C83.8Confident79Confident1 Ų177.3 Ų77.31%0.00738%0.379CS..Hα-helixtrans-59.7-45.8178.2-67.30000112.5L306 R307 S312 K313 R314 M315 M328L306-C310 PolarHBondContact O-N 3.2Å; L306-C310 PolarHBondContact O-SG 3.24Å; R307-C310 WeakPolarHBondContact O-CB 3.38Å; R307-C310 PolarHBondContact O-N 3.19Å; R307-C310 VanDerWaalsContact O-N 3.13Å; C310-S312 VanDerWaalsContact C-N 3.34Å; C310-S312 PolarHBondContact O-N 3.2Å; C310-K313 CarbonylContact O-C 3.51Å; C310-K313 PolarHBondContact O-N 3.16Å; C310-K313 VanDerWaalsContact O-N 3.16Å; C310-R314 PolarHBondContact O-N 2.84Å; C310-M315 HydrophobicContact CB-CB 4.02Å; C310-M315 HydrophobicContact CB-SD 4.4Å; C310-M315 WeakPolarHBondContact O-CB 3.36Å; C310-M315 PolarHBondContact O-N 2.83Å; C310-M328 WeakPolarHBondContact SG-CE 3.49Å
311E84.6Confident77.4Confident110 Ų11074.8 Ų74.851%0.51437%0.373SS..Hα-helixtrans-60.1-43.8176.9-72.4172.8-172.700111.2R307 V308 F309 K313 R314R307-E311 HydrophobicContact CG-CG 4.49Å; R307-E311 WeakPolarHBondContact CG-OE1 3.27Å; R307-E311 IonicContact NE-OE1 3.76Å; R307-E311 IonicContact NH1-OE1 2.77Å; R307-E311 WeakPolarHBondContact O-CG 3.46Å; R307-E311 PolarHBondContact O-N 2.84Å; V308-E311 PolarHBondContact O-N 2.91Å; F309-E311 PolarHBondContact O-N 3.49Å; E311-K313 PolarHBondContact O-N 3.28Å; E311-R314 PolarHBondContact O-N 3.33Å
312S87.3Confident75.8Confident77 Ų7774.6 Ų74.654%0.53837%0.374SS..Hα-helixtrans-60.3-30.5177.682.20000113V308 F309 C310 R314V308-S312 WeakPolarHBondContact O-CB 3.45Å; V308-S312 PolarHBondContact O-N 3.29Å; F309-S312 PolarHBondContact O-N 3.1Å; F309-S312 PolarHBondContact O-OG 3.35Å; C310-S312 VanDerWaalsContact C-N 3.34Å; C310-S312 PolarHBondContact O-N 3.2Å; S312-R314 VanDerWaalsContact C-N 3.34Å
313K84.4Confident74.5Confident77 Ų7783.4 Ų83.434%0.33541%0.412SS..THydrogen-bonded Turntrans-93.711.1177.6-53.8-49.4-175.6177.30113F309 C310 E311 M315 Y335F309-K313 HydrophobicContact CE1-CG 4.38Å; F309-K313 HydrophobicContact CE2-CG 4.32Å; F309-K313 HydrophobicContact CZ-CG 4.11Å; F309-K313 WeakPolarHBondContact O-CG 3.39Å; F309-K313 PolarHBondContact O-N 3.36Å; C310-K313 CarbonylContact O-C 3.51Å; C310-K313 PolarHBondContact O-N 3.16Å; C310-K313 VanDerWaalsContact O-N 3.16Å; E311-K313 PolarHBondContact O-N 3.28Å; K313-M315 VanDerWaalsContact C-N 3.33Å; K313-M315 HydrophobicContact CB-CG 4.43Å; K313-M315 PolarHBondContact O-N 2.75Å; K313-Y335 HydrophobicContact CB-CE2 4.37Å; K313-Y335 HydrophobicContact CD-CE1 4.25Å; K313-Y335 HydrophobicContact CD-CE2 4.3Å; K313-Y335 HydrophobicContact CG-CE2 4.11Å
314R73.7Confident73.4Confident240 Ų24083.6 Ų83.691%0.90641%0.411SS*.THydrogen-bonded Turntrans58.239.9-179.5-56.9179.7179.8177.3-0.6113.4C310 E311 S312C310-R314 PolarHBondContact O-N 2.84Å; E311-R314 PolarHBondContact O-N 3.33Å; S312-R314 VanDerWaalsContact C-N 3.34Å
315M66.3Low72.5Confident28 Ų2879.6 Ų79.614%0.13839%0.393CS..  trans-90.1127.5172.1-62.6-176.766.200110.2C310 K313 T317 M328 M332C310-M315 HydrophobicContact CB-CB 4.02Å; C310-M315 HydrophobicContact CB-SD 4.4Å; C310-M315 WeakPolarHBondContact O-CB 3.36Å; C310-M315 PolarHBondContact O-N 2.83Å; K313-M315 VanDerWaalsContact C-N 3.33Å; K313-M315 HydrophobicContact CB-CG 4.43Å; K313-M315 PolarHBondContact O-N 2.75Å; M315-T317 PolarHBondContact O-N 3Å; M315-M328 HydrophobicContact CE-CE 3.87Å; M315-M328 HydrophobicContact CE-CG 4.12Å; M315-M328 HydrophobicContact SD-CE 4.38Å; M315-M332 HydrophobicContact CE-CE 3.65Å; M315-M332 HydrophobicContact CE-SD 3.96Å; M315-M332 HydrophobicContact CG-CE 3.44Å; M315-M332 VanDerWaalsContact CG-CE 3.44Å; M315-M332 HydrophobicContact CG-SD 4.16Å; M315-M332 HydrophobicContact SD-CE 3.4Å; M315-M332 WeakPolarHBondContact SD-CE 3.34Å; M315-M332 HydrophobicContact SD-SD 3.39Å
316S57Low71.5Confident115 Ų11580.5 Ų80.580%0.80440%0.402SS*.  trans-84.8106.2165.4-176.10000108.6
317T58Low70.7Confident44 Ų4485.8 Ų85.827%0.2743%0.427SS..  trans-134.1102.2170.6410000108.4M315 K319M315-T317 PolarHBondContact O-N 3Å; T317-K319 PolarHBondContact O-N 2.8Å
318D53.8Low70.1Confident162 Ų16280.1 Ų80.187%0.86641%0.406SS*.SBendtrans-66.9-16.7178-84.1-29.4000113
319K55.4Low69.4Low160 Ų16078.6 Ų78.670%0.69640%0.395SS*.  trans-146.9114.3174.4-62.1-176.1-178.1176.50108.8T317T317-K319 PolarHBondContact O-N 2.8Å
320A54.6Low68.9Low12 Ų1284.3 Ų84.310%0.09942%0.42CS..  trans-97.288174.800000109.1L306L306-A320 HydrophobicContact CD2-CB 4.1Å; L306-A320 HydrophobicContact CG-CB 4.33Å
321N59Low68.6Low95 Ų9591.8 Ų91.851%0.50845%0.452SS..  trans-109.1161.4176-75.6-13.2000111.6K323 D324 L325N321-K323 PolarHBondContact O-N 3.42Å; N321-K323 VanDerWaalsContact O-N 3.12Å; N321-D324 PolarHBondContact N-OD2 2.77Å; N321-D324 WeakPolarHBondContact O-CA 3.42Å; N321-D324 WeakPolarHBondContact O-CB 3.37Å; N321-D324 PolarHBondContact O-N 2.95Å; N321-L325 PolarHBondContact O-N 2.99Å
322I60.3Low68Low55 Ų5588.3 Ų88.328%0.28244%0.436SS..Hα-helixtrans-51.3-37.8177.1-68.1166.3000112.6D324 L325 L346 E350I322-D324 PolarHBondContact O-N 3.01Å; I322-L325 VanDerWaalsContact O-CB 3.27Å; I322-L325 WeakPolarHBondContact O-CB 3.32Å; I322-L325 PolarHBondContact O-N 3.47Å; I322-L325 VanDerWaalsContact O-N 3.15Å; I322-L346 HydrophobicContact CD1-CB 3.73Å; I322-L346 HydrophobicContact CD1-CD1 4.28Å; I322-L346 HydrophobicContact CD1-CD2 4.48Å; I322-L346 HydrophobicContact CD1-CG 4.36Å; I322-L346 HydrophobicContact CG1-CB 3.85Å; I322-L346 HydrophobicContact CG1-CD1 3.53Å; I322-L346 HydrophobicContact CG1-CD2 4.49Å; I322-L346 HydrophobicContact CG1-CG 4.13Å; I322-E350 VanDerWaalsContact CD1-CD 3.41Å; I322-E350 HydrophobicContact CD1-CG 4.34Å; I322-E350 WeakPolarHBondContact CD1-OE1 3.1Å
323K64Low67.7Low185 Ų18588.7 Ų88.780%0.80444%0.437SS*.Hα-helixtrans-64.1-28.4178.1-68.4-175.1178.7179.90112.8N321N321-K323 PolarHBondContact O-N 3.42Å; N321-K323 VanDerWaalsContact O-N 3.12Å
324D66.9Low67.7Low51 Ų5191 Ų9127%0.27345%0.449SS..Hα-helixtrans-83.5-24.7177.6-53.9-46.9000111.3N321 I322 S326 Q327 M328N321-D324 PolarHBondContact N-OD2 2.77Å; N321-D324 WeakPolarHBondContact O-CA 3.42Å; N321-D324 WeakPolarHBondContact O-CB 3.37Å; N321-D324 PolarHBondContact O-N 2.95Å; I322-D324 PolarHBondContact O-N 3.01Å; D324-S326 PolarHBondContact O-N 2.97Å; D324-Q327 CarbonylContact O-C 3.55Å; D324-Q327 WeakPolarHBondContact O-CA 3.09Å; D324-Q327 WeakPolarHBondContact O-CB 3.33Å; D324-Q327 PolarHBondContact O-N 3.31Å; D324-M328 HydrophobicContact CB-SD 4.43Å; D324-M328 VanDerWaalsContact O-CG 3.27Å; D324-M328 WeakPolarHBondContact O-CG 3.31Å; D324-M328 PolarHBondContact O-N 3.37Å
325L72.1Confident68.3Low1 Ų182.7 Ų82.71%0.00542%0.418CS..Hα-helixtrans-60.7-42-178-153.290.1000112.4L306 N321 I322 Q327 M328 L329 L339 S343L306-L325 HydrophobicContact CD1-CD1 3.86Å; L306-L325 HydrophobicContact CD2-CD1 3.56Å; L306-L325 HydrophobicContact CG-CD1 4.38Å; N321-L325 PolarHBondContact O-N 2.99Å; I322-L325 VanDerWaalsContact O-CB 3.27Å; I322-L325 WeakPolarHBondContact O-CB 3.32Å; I322-L325 PolarHBondContact O-N 3.47Å; I322-L325 VanDerWaalsContact O-N 3.15Å; L325-Q327 VanDerWaalsContact C-N 3.26Å; L325-Q327 PolarHBondContact O-N 3.36Å; L325-M328 PolarHBondContact O-N 3.38Å; L325-L329 WeakPolarHBondContact O-CG 3.48Å; L325-L329 PolarHBondContact O-N 2.73Å; L325-L339 HydrophobicContact CD1-CD2 4.24Å; L325-S343 VanDerWaalsContact CD2-CA 3.42Å
326S69.5Low69.2Low51 Ų5186.8 Ų86.836%0.35744%0.437SS..Hα-helixtrans-63.4-30.5174.1-67.20000113D324D324-S326 PolarHBondContact O-N 2.97Å
327Q72.2Confident70.6Confident113 Ų11389.6 Ų89.653%0.52844%0.435SS..Hα-helixtrans-78.2-36.9173.9-59.9-173.43.100111.4D324 L325 K330 K331D324-Q327 CarbonylContact O-C 3.55Å; D324-Q327 WeakPolarHBondContact O-CA 3.09Å; D324-Q327 WeakPolarHBondContact O-CB 3.33Å; D324-Q327 PolarHBondContact O-N 3.31Å; L325-Q327 VanDerWaalsContact C-N 3.26Å; L325-Q327 PolarHBondContact O-N 3.36Å; Q327-K330 WeakPolarHBondContact O-CB 3.38Å; Q327-K330 PolarHBondContact O-N 3.12Å; Q327-K331 PolarHBondContact O-N 3.04Å; Q327-K331 VanDerWaalsContact O-N 3.11Å
328M72.6Confident71.9Confident8 Ų891.2 Ų91.24%0.03944%0.439CS..Hα-helixtrans-64.3-41.8175.9-68.8165.964.500111.6L306 C310 M315 D324 L325 K330 K331 M332 L339L306-M328 HydrophobicContact CD1-CE 4.4Å; C310-M328 WeakPolarHBondContact SG-CE 3.49Å; M315-M328 HydrophobicContact CE-CE 3.87Å; M315-M328 HydrophobicContact CE-CG 4.12Å; M315-M328 HydrophobicContact SD-CE 4.38Å; D324-M328 HydrophobicContact CB-SD 4.43Å; D324-M328 VanDerWaalsContact O-CG 3.27Å; D324-M328 WeakPolarHBondContact O-CG 3.31Å; D324-M328 PolarHBondContact O-N 3.37Å; L325-M328 PolarHBondContact O-N 3.38Å; M328-K330 PolarHBondContact O-N 3.07Å; M328-K331 PolarHBondContact O-N 3.15Å; M328-M332 PolarHBondContact O-N 3.34Å; M328-L339 HydrophobicContact CB-CD1 4.14Å; M328-L339 HydrophobicContact CE-CD2 3.93Å
329L75.1Confident73.5Confident42 Ų4283.5 Ų83.522%0.2240%0.398CS..Hα-helixtrans-55.3-37173.7-76.6167.9000112.1L325 Q336 L339L325-L329 WeakPolarHBondContact O-CG 3.48Å; L325-L329 PolarHBondContact O-N 2.73Å; L329-Q336 HydrophobicContact CD2-CB 4.33Å; L329-Q336 HydrophobicContact CD2-CG 3.8Å; L329-L339 HydrophobicContact CD2-CB 3.5Å; L329-L339 HydrophobicContact CD2-CD1 4.17Å; L329-L339 HydrophobicContact CG-CB 4.14Å; L329-L339 HydrophobicContact CG-CD1 4.43Å
330K75.9Confident75Confident143 Ų14377.4 Ų77.462%0.62238%0.375SS*.Hα-helixtrans-74-37.1176-68.2178.2-177.7178.80113.2Q327 M328 M332Q327-K330 WeakPolarHBondContact O-CB 3.38Å; Q327-K330 PolarHBondContact O-N 3.12Å; M328-K330 PolarHBondContact O-N 3.07Å; K330-M332 VanDerWaalsContact C-N 3.31Å
331K77.4Confident76.7Confident158 Ų15878.7 Ų78.769%0.68738%0.38SS*.Hα-helixtrans-73.8-23.4-179.7-72.7-179.1178.6178.50112.5Q327 M328Q327-K331 PolarHBondContact O-N 3.04Å; Q327-K331 VanDerWaalsContact O-N 3.11Å; M328-K331 PolarHBondContact O-N 3.15Å
332M73.4Confident78.2Confident38 Ų3875.2 Ų75.219%0.18736%0.36CS..  trans-138.374.2-173.9-62.3-165.8179.600112.6M315 M328 K330 Q334 Y335M315-M332 HydrophobicContact CE-CE 3.65Å; M315-M332 HydrophobicContact CE-SD 3.96Å; M315-M332 HydrophobicContact CG-CE 3.44Å; M315-M332 VanDerWaalsContact CG-CE 3.44Å; M315-M332 HydrophobicContact CG-SD 4.16Å; M315-M332 HydrophobicContact SD-CE 3.4Å; M315-M332 WeakPolarHBondContact SD-CE 3.34Å; M315-M332 HydrophobicContact SD-SD 3.39Å; M328-M332 PolarHBondContact O-N 3.34Å; K330-M332 VanDerWaalsContact C-N 3.31Å; M332-Q334 PolarHBondContact O-N 3.12Å; M332-Y335 HydrophobicContact CB-CD2 4.08Å; M332-Y335 HydrophobicContact CG-CD2 4.47Å; M332-Y335 PolarHBondContact O-N 3.24Å; M332-Y335 VanDerWaalsContact O-N 3.11Å; M332-Y335 HydrophobicContact SD-CD2 3.72Å; M332-Y335 HydrophobicContact SD-CE2 4.13Å
333P80.6Confident79.5Confident85 Ų8573.6 Ų73.655%0.55235%0.354SS*.G310 helixtrans-58.5-29.117624.4-33.9000112.6Y335 Q336P333-Y335 VanDerWaalsContact C-N 3.26Å; P333-Y335 PolarHBondContact O-N 3.1Å; P333-Q336 VanDerWaalsContact O-CB 3.23Å; P333-Q336 WeakPolarHBondContact O-CB 3.32Å; P333-Q336 PolarHBondContact O-N 2.85Å
334Q84.8Confident80.9Confident126 Ų12664.8 Ų64.859%0.58932%0.316SS*.G310 helixtrans-64.8-24.5178.168.1-83.71800114.3M332M332-Q334 PolarHBondContact O-N 3.12Å
335Y85.6Confident82.1Confident64 Ų6462.4 Ų62.425%0.25130%0.303SS..G310 helixtrans-10917.1178.3-58.8-57.2000112.3F309 K313 M332 P333 K337 E338 L339F309-Y335 HydrophobicContact CZ-CD1 4.18Å; F309-Y335 HydrophobicContact CZ-CG 4.1Å; K313-Y335 HydrophobicContact CB-CE2 4.37Å; K313-Y335 HydrophobicContact CD-CE1 4.25Å; K313-Y335 HydrophobicContact CD-CE2 4.3Å; K313-Y335 HydrophobicContact CG-CE2 4.11Å; M332-Y335 HydrophobicContact CB-CD2 4.08Å; M332-Y335 HydrophobicContact CG-CD2 4.47Å; M332-Y335 PolarHBondContact O-N 3.24Å; M332-Y335 VanDerWaalsContact O-N 3.11Å; M332-Y335 HydrophobicContact SD-CD2 3.72Å; M332-Y335 HydrophobicContact SD-CE2 4.13Å; P333-Y335 VanDerWaalsContact C-N 3.26Å; P333-Y335 PolarHBondContact O-N 3.1Å; Y335-K337 VanDerWaalsContact C-N 3.26Å; Y335-K337 PolarHBondContact O-N 3.46Å; Y335-E338 VanDerWaalsContact CD1-OE2 3.22Å; Y335-E338 WeakPolarHBondContact CD1-OE2 3.21Å; Y335-E338 PolarHBondContact O-N 3.25Å; Y335-L339 WeakPolarHBondContact O-CB 3.04Å; Y335-L339 WeakPolarHBondContact O-CG 3.43Å; Y335-L339 PolarHBondContact O-N 2.99Å
336Q84.3Confident83.1Confident115 Ų11562.7 Ų62.754%0.53730%0.304SS..Hα-helixtrans-58.6-38.2-175.9-171.9-178.5-600112.5L329 P333 S340L329-Q336 HydrophobicContact CD2-CB 4.33Å; L329-Q336 HydrophobicContact CD2-CG 3.8Å; P333-Q336 VanDerWaalsContact O-CB 3.23Å; P333-Q336 WeakPolarHBondContact O-CB 3.32Å; P333-Q336 PolarHBondContact O-N 2.85Å; Q336-S340 WeakPolarHBondContact O-CB 3.46Å; Q336-S340 PolarHBondContact O-N 3.03Å
337K86.3Confident84.1Confident173 Ų17362.9 Ų62.975%0.75230%0.3SS*.Hα-helixtrans-62.2-50.8178.4-172.9-178.1178.4-174.60111.6Y335 S340 L341Y335-K337 VanDerWaalsContact C-N 3.26Å; Y335-K337 PolarHBondContact O-N 3.46Å; K337-S340 WeakPolarHBondContact O-CB 3.32Å; K337-S340 PolarHBondContact O-N 3.27Å; K337-L341 PolarHBondContact O-N 3.09Å
338E87.3Confident85.2Confident78 Ų7857.5 Ų57.536%0.36427%0.274SS..Hα-helixtrans-65.3-48.9-178.3-66.6166.7161.600111F309 Y335 S340 L341 Y342F309-E338 HydrophobicContact CE2-CB 4.3Å; F309-E338 WeakPolarHBondContact CE2-OE2 3.42Å; F309-E338 HydrophobicContact CZ-CB 4.14Å; F309-E338 WeakPolarHBondContact CZ-OE2 3.42Å; Y335-E338 VanDerWaalsContact CD1-OE2 3.22Å; Y335-E338 WeakPolarHBondContact CD1-OE2 3.21Å; Y335-E338 PolarHBondContact O-N 3.25Å; E338-S340 PolarHBondContact O-N 3.49Å; E338-L341 WeakPolarHBondContact O-CB 3.35Å; E338-L341 PolarHBondContact O-N 3.16Å; E338-Y342 VanDerWaalsContact O-CD2 3.28Å; E338-Y342 WeakPolarHBondContact O-CD2 3.26Å; E338-Y342 PolarHBondContact O-N 2.78Å
339L85.9Confident86.3Confident1 Ų157.1 Ų57.11%0.00527%0.273CS..Hα-helixtrans-60.8-33.8177-70.3174.8000112.3L306 F309 L325 M328 L329 Y335 L341 Y342 S343L306-L339 HydrophobicContact CD1-CD2 3.93Å; F309-L339 HydrophobicContact CD1-CD2 4.4Å; F309-L339 HydrophobicContact CE1-CD2 4.07Å; F309-L339 HydrophobicContact CE1-CG 4.44Å; L325-L339 HydrophobicContact CD1-CD2 4.24Å; M328-L339 HydrophobicContact CB-CD1 4.14Å; M328-L339 HydrophobicContact CE-CD2 3.93Å; L329-L339 HydrophobicContact CD2-CB 3.5Å; L329-L339 HydrophobicContact CD2-CD1 4.17Å; L329-L339 HydrophobicContact CG-CB 4.14Å; L329-L339 HydrophobicContact CG-CD1 4.43Å; Y335-L339 WeakPolarHBondContact O-CB 3.04Å; Y335-L339 WeakPolarHBondContact O-CG 3.43Å; Y335-L339 PolarHBondContact O-N 2.99Å; L339-L341 VanDerWaalsContact C-N 3.3Å; L339-L341 PolarHBondContact O-N 2.84Å; L339-Y342 PolarHBondContact O-N 3Å; L339-S343 PolarHBondContact O-N 2.92Å
340S87Confident87.2Confident31 Ų3160.3 Ų60.322%0.21729%0.286CS..Hα-helixtrans-62.1-35.5174.7166.90000112.5K276 Q336 K337 E338 S343 T344K276-S340 WeakPolarHBondContact CE-OG 3.42Å; K276-S340 PolarHBondContact NZ-O 3.31Å; K276-S340 PolarHBondContact NZ-OG 3.12Å; Q336-S340 WeakPolarHBondContact O-CB 3.46Å; Q336-S340 PolarHBondContact O-N 3.03Å; K337-S340 WeakPolarHBondContact O-CB 3.32Å; K337-S340 PolarHBondContact O-N 3.27Å; E338-S340 PolarHBondContact O-N 3.49Å; S340-S343 WeakPolarHBondContact O-CB 3.25Å; S340-S343 PolarHBondContact O-N 3.26Å; S340-T344 PolarHBondContact O-N 3.04Å; S340-T344 VanDerWaalsContact O-N 3.12Å; S340-T344 PolarHBondContact O-OG1 3Å; S340-T344 VanDerWaalsContact O-OG1 3.11Å
341L90.1Very high88.2Confident40 Ų4054.5 Ų54.521%0.20927%0.265CS..Hα-helixtrans-67.4-47.1176.2-60.2176.9000111.4L286 K337 E338 L339 S343 T344 H345L286-L341 HydrophobicContact CD1-CB 4Å; L286-L341 HydrophobicContact CD1-CD1 4.23Å; K337-L341 PolarHBondContact O-N 3.09Å; E338-L341 WeakPolarHBondContact O-CB 3.35Å; E338-L341 PolarHBondContact O-N 3.16Å; L339-L341 VanDerWaalsContact C-N 3.3Å; L339-L341 PolarHBondContact O-N 2.84Å; L341-S343 PolarHBondContact O-N 3.19Å; L341-T344 PolarHBondContact O-N 3.48Å; L341-H345 PolarHBondContact O-CD2 3.24Å; L341-H345 PolarHBondContact O-N 2.66Å
342Y91.1Very high89.1Confident21 Ų2147 Ų478%0.08223%0.232CC..Hα-helixtrans-55.4-42.4173.6-74.4-79.4000111.9L286 V302 L305 L306 F309 E338 L339 T344 L346L286-Y342 HydrophobicContact CD1-CE2 4.3Å; L286-Y342 HydrophobicContact CD2-CD1 3.67Å; L286-Y342 HydrophobicContact CD2-CE1 3.39Å; L286-Y342 HydrophobicContact CD2-CE2 4.46Å; L286-Y342 HydrophobicContact CD2-CG 4.31Å; V302-Y342 HydrophobicContact CG1-CD1 3.79Å; L305-Y342 HydrophobicContact CB-CE1 3.73Å; L305-Y342 PolarHBondContact O-OH 3.24Å; L306-Y342 HydrophobicContact CB-CD1 3.7Å; L306-Y342 HydrophobicContact CB-CE1 3.82Å; L306-Y342 HydrophobicContact CB-CG 4.32Å; L306-Y342 HydrophobicContact CD1-CD1 4.12Å; L306-Y342 HydrophobicContact CD1-CD2 4Å; L306-Y342 HydrophobicContact CD1-CE2 4.42Å; L306-Y342 HydrophobicContact CD1-CG 3.86Å; L306-Y342 HydrophobicContact CG-CD1 4.44Å; L306-Y342 VanDerWaalsContact N-CE1 3.27Å; F309-Y342 HydrophobicContact CB-CE2 4.38Å; F309-Y342 HydrophobicContact CG-CE2 4.27Å; E338-Y342 VanDerWaalsContact O-CD2 3.28Å; E338-Y342 WeakPolarHBondContact O-CD2 3.26Å; E338-Y342 PolarHBondContact O-N 2.78Å; L339-Y342 PolarHBondContact O-N 3Å; Y342-T344 VanDerWaalsContact C-N 3.32Å; Y342-T344 PolarHBondContact O-N 3.07Å; Y342-L346 WeakPolarHBondContact O-CB 3.29Å; Y342-L346 VanDerWaalsContact O-CG 3.32Å; Y342-L346 WeakPolarHBondContact O-CG 3.45Å; Y342-L346 PolarHBondContact O-N 3.13Å; Y342-L346 VanDerWaalsContact O-N 3.1Å
343S88.1Confident90.1Very high21 Ų2147.5 Ų47.515%0.14724%0.235CC..Hα-helixtrans-58.4-44.6176-166.70000112.2L325 L339 S340 L341 H347L325-S343 VanDerWaalsContact CD2-CA 3.42Å; L339-S343 PolarHBondContact O-N 2.92Å; S340-S343 WeakPolarHBondContact O-CB 3.25Å; S340-S343 PolarHBondContact O-N 3.26Å; L341-S343 PolarHBondContact O-N 3.19Å; S343-H347 WeakPolarHBondContact O-CB 3.3Å; S343-H347 PolarHBondContact O-N 3.06Å
344T91.8Very high90.9Very high1 Ų151.5 Ų51.51%0.00624%0.243CC..Hα-helixtrans-65.7-48-177.3-64.30000110.6Y263 Y265 K276 V278 S340 L341 Y342 L346 H347 L348Y263-T344 HydrophobicContact CD1-CG2 4.39Å; Y265-T344 HydrophobicContact CE1-CG2 4.19Å; Y265-T344 PolarHBondContact OH-OG1 2.81Å; K276-T344 PolarHBondContact NZ-OG1 2.58Å; K276-T344 VanDerWaalsContact NZ-OG1 3.17Å; V278-T344 HydrophobicContact CB-CG2 4.08Å; V278-T344 HydrophobicContact CG1-CG2 3.84Å; V278-T344 HydrophobicContact CG2-CG2 4.07Å; S340-T344 PolarHBondContact O-N 3.04Å; S340-T344 VanDerWaalsContact O-N 3.12Å; S340-T344 PolarHBondContact O-OG1 3Å; S340-T344 VanDerWaalsContact O-OG1 3.11Å; L341-T344 PolarHBondContact O-N 3.48Å; Y342-T344 VanDerWaalsContact C-N 3.32Å; Y342-T344 PolarHBondContact O-N 3.07Å; T344-L346 VanDerWaalsContact C-N 3.35Å; T344-L346 PolarHBondContact O-N 3.02Å; T344-H347 PolarHBondContact O-N 3.08Å; T344-L348 HydrophobicContact CG2-CD1 4.11Å; T344-L348 WeakPolarHBondContact O-CG 3.42Å; T344-L348 PolarHBondContact O-N 3.49Å
345H93.9Very high91.3Very high0 Ų050.8 Ų50.80%024%0.239CC..Hα-helixtrans-65.9-35.8-179.5-68.6-55.1000113.3F248 D284 W287 L290 V302 L341 A349F248-H345 AromaticContact CE1-ND1 3.74Å; D284-H345 IonicContact OD1-NE2 3.72Å; D284-H345 IonicContact OD2-CD2 3.8Å; D284-H345 IonicContact OD2-CE1 3.94Å; D284-H345 PolarHBondContact OD2-CE1 2.56Å; D284-H345 IonicContact OD2-NE2 2.78Å; D284-H345 PolarHBondContact OD2-NE2 3.21Å; W287-H345 AromaticContact CE3-CE1 3.7Å; W287-H345 AromaticContact CE3-ND1 3.99Å; L290-H345 HydrophobicContact CD1-CB 4.01Å; V302-H345 HydrophobicContact CG1-CB 4.39Å; V302-H345 HydrophobicContact CG2-CB 4.15Å; L341-H345 PolarHBondContact O-CD2 3.24Å; L341-H345 PolarHBondContact O-N 2.66Å; H345-A349 WeakPolarHBondContact O-CB 3.36Å; H345-A349 PolarHBondContact O-N 3.25Å
346L91.4Very high91.8Very high7 Ų749.1 Ų49.14%0.03723%0.232CC..Hα-helixtrans-63.9-44.9172.3-73.1169.4000111.4T299 V302 I322 Y342 T344 A349 E350T299-L346 HydrophobicContact CG2-CD2 4.32Å; V302-L346 HydrophobicContact CB-CD2 3.99Å; V302-L346 HydrophobicContact CB-CG 4.39Å; V302-L346 HydrophobicContact CG1-CD1 4.33Å; V302-L346 HydrophobicContact CG1-CD2 3.88Å; V302-L346 HydrophobicContact CG1-CG 3.74Å; I322-L346 HydrophobicContact CD1-CB 3.73Å; I322-L346 HydrophobicContact CD1-CD1 4.28Å; I322-L346 HydrophobicContact CD1-CD2 4.48Å; I322-L346 HydrophobicContact CD1-CG 4.36Å; I322-L346 HydrophobicContact CG1-CB 3.85Å; I322-L346 HydrophobicContact CG1-CD1 3.53Å; I322-L346 HydrophobicContact CG1-CD2 4.49Å; I322-L346 HydrophobicContact CG1-CG 4.13Å; Y342-L346 WeakPolarHBondContact O-CB 3.29Å; Y342-L346 VanDerWaalsContact O-CG 3.32Å; Y342-L346 WeakPolarHBondContact O-CG 3.45Å; Y342-L346 PolarHBondContact O-N 3.13Å; Y342-L346 VanDerWaalsContact O-N 3.1Å; T344-L346 VanDerWaalsContact C-N 3.35Å; T344-L346 PolarHBondContact O-N 3.02Å; L346-A349 PolarHBondContact O-N 2.87Å; L346-E350 WeakPolarHBondContact O-CG 3.49Å; L346-E350 PolarHBondContact O-N 3.12Å
347H92Very high92.3Very high56 Ų5650.8 Ų50.826%0.25924%0.238SC..Hα-helixtrans-64-42.6177.4-173.4-80.1000112.3Y263 Y265 S343 T344 E350 A351Y263-H347 AromaticContact CE1-ND1 3.6Å; Y263-H347 AromaticContact CZ-ND1 3.59Å; Y263-H347 PolarHBondContact OH-CE1 3.49Å; Y263-H347 PolarHBondContact OH-ND1 3.35Å; Y265-H347 WeakPolarHBondContact CB-CE1 3.37Å; Y265-H347 HydrophobicContact CD2-CB 4.31Å; Y265-H347 AromaticContact CD2-CD2 3.6Å; Y265-H347 AromaticContact CD2-CE1 3.64Å; Y265-H347 AromaticContact CD2-CG 3.57Å; Y265-H347 AromaticContact CD2-ND1 3.58Å; Y265-H347 AromaticContact CD2-NE2 3.65Å; Y265-H347 HydrophobicContact CE2-CB 4.12Å; Y265-H347 AromaticContact CE2-CG 3.85Å; Y265-H347 AromaticContact CG-CE1 3.74Å; Y265-H347 AromaticContact CG-ND1 3.68Å; S343-H347 WeakPolarHBondContact O-CB 3.3Å; S343-H347 PolarHBondContact O-N 3.06Å; T344-H347 PolarHBondContact O-N 3.08Å; H347-E350 PolarHBondContact O-N 3.28Å; H347-A351 VanDerWaalsContact O-CB 3.31Å; H347-A351 WeakPolarHBondContact O-CB 3.19Å; H347-A351 PolarHBondContact O-N 3.04Å
348L95.4Very high92.5Very high0 Ų046.3 Ų46.30%023%0.233CC..Hα-helixtrans-57.4-49174.1-80.3168.6000111.4F248 V252 L256 Y263 L280 W287 T344 E350 A351 C352F248-L348 HydrophobicContact CE2-CB 3.98Å; F248-L348 HydrophobicContact CZ-CB 3.73Å; F248-L348 HydrophobicContact CZ-CD1 4.25Å; V252-L348 HydrophobicContact CG1-CD2 3.88Å; V252-L348 HydrophobicContact CG2-CB 4.38Å; V252-L348 HydrophobicContact CG2-CD2 4.1Å; L256-L348 HydrophobicContact CD1-CD2 3.75Å; Y263-L348 HydrophobicContact CD1-CD1 4.47Å; Y263-L348 HydrophobicContact CD1-CD2 3.48Å; Y263-L348 VanDerWaalsContact CD1-CD2 3.48Å; Y263-L348 HydrophobicContact CD1-CG 3.83Å; Y263-L348 HydrophobicContact CD2-CD2 4Å; Y263-L348 HydrophobicContact CE1-CD2 3.46Å; Y263-L348 VanDerWaalsContact CE1-CD2 3.46Å; Y263-L348 HydrophobicContact CE1-CG 3.72Å; Y263-L348 HydrophobicContact CE2-CD2 3.99Å; Y263-L348 HydrophobicContact CG-CD2 3.74Å; L280-L348 HydrophobicContact CD2-CD1 3.92Å; W287-L348 HydrophobicContact CZ3-CD1 4.44Å; T344-L348 HydrophobicContact CG2-CD1 4.11Å; T344-L348 WeakPolarHBondContact O-CG 3.42Å; T344-L348 PolarHBondContact O-N 3.49Å; L348-E350 PolarHBondContact O-N 2.89Å; L348-A351 PolarHBondContact O-N 3.45Å; L348-C352 WeakPolarHBondContact O-CB 3.38Å; L348-C352 PolarHBondContact O-N 3.04Å; L348-C352 PolarHBondContact O-SG 3.11Å
349A95.8Very high92.5Very high0 Ų044.5 Ų44.50%023%0.229CC..Hα-helixtrans-62.4-43.1178.900000111.9F248 I295 V298 H345 L346 C352 M353F248-A349 HydrophobicContact CE2-CB 4.19Å; I295-A349 HydrophobicContact CD1-CB 4.2Å; V298-A349 HydrophobicContact CG1-CB 4.07Å; H345-A349 WeakPolarHBondContact O-CB 3.36Å; H345-A349 PolarHBondContact O-N 3.25Å; L346-A349 PolarHBondContact O-N 2.87Å; A349-C352 PolarHBondContact O-N 3.36Å; A349-M353 WeakPolarHBondContact O-CB 3.27Å; A349-M353 VanDerWaalsContact O-CG 3.31Å; A349-M353 WeakPolarHBondContact O-CG 3.11Å; A349-M353 PolarHBondContact O-N 2.72Å
350E93.7Very high92.8Very high108 Ų10844.7 Ų44.751%0.50523%0.23SC..Hα-helixtrans-62.9-44175.5-75-174159.100112.5I322 L346 H347 L348 M353 K354I322-E350 VanDerWaalsContact CD1-CD 3.41Å; I322-E350 HydrophobicContact CD1-CG 4.34Å; I322-E350 WeakPolarHBondContact CD1-OE1 3.1Å; L346-E350 WeakPolarHBondContact O-CG 3.49Å; L346-E350 PolarHBondContact O-N 3.12Å; H347-E350 PolarHBondContact O-N 3.28Å; L348-E350 PolarHBondContact O-N 2.89Å; E350-M353 PolarHBondContact O-N 2.97Å; E350-K354 WeakPolarHBondContact O-CB 3.37Å; E350-K354 PolarHBondContact O-N 3.04Å
351A95.3Very high93.1Very high21 Ų2145.9 Ų45.917%0.17423%0.234CC..Hα-helixtrans-62.6-44178.300000111.6L256 H347 L348 K354 K355L256-A351 HydrophobicContact CD1-CB 4.02Å; L256-A351 HydrophobicContact CD2-CB 3.83Å; H347-A351 VanDerWaalsContact O-CB 3.31Å; H347-A351 WeakPolarHBondContact O-CB 3.19Å; H347-A351 PolarHBondContact O-N 3.04Å; L348-A351 PolarHBondContact O-N 3.45Å; A351-K354 PolarHBondContact O-N 3.05Å; A351-K355 PolarHBondContact O-N 2.84Å
352C96.9Very high93.1Very high0 Ų050.7 Ų50.70%025%0.253CS..Hα-helixtrans-60.7-49.1174.1-68.30000111.2M251 V252 I295 L348 A349 K354 K355 F356M251-C352 HydrophobicContact CE-CB 3.98Å; M251-C352 HydrophobicContact CG-CB 4.22Å; M251-C352 HydrophobicContact SD-CB 3.93Å; V252-C352 VanDerWaalsContact CG2-SG 3.52Å; I295-C352 HydrophobicContact CD1-CB 4.26Å; L348-C352 WeakPolarHBondContact O-CB 3.38Å; L348-C352 PolarHBondContact O-N 3.04Å; L348-C352 PolarHBondContact O-SG 3.11Å; A349-C352 PolarHBondContact O-N 3.36Å; C352-K354 VanDerWaalsContact C-N 3.27Å; C352-K354 PolarHBondContact O-N 3.46Å; C352-K355 PolarHBondContact O-N 3.21Å; C352-F356 WeakPolarHBondContact O-CB 3.44Å; C352-F356 PolarHBondContact O-N 3.08Å
353M95.8Very high93.3Very high49 Ų4949.7 Ų49.724%0.24125%0.249CC..Hα-helixtrans-65.4-29.8-179.5-73.7-55.6-56.500113.2I295 A349 E350 F356 K357I295-M353 HydrophobicContact CG1-CG 4.06Å; I295-M353 HydrophobicContact CG1-SD 3.57Å; I295-M353 VanDerWaalsContact CG1-SD 3.57Å; I295-M353 HydrophobicContact CG2-SD 4.26Å; A349-M353 WeakPolarHBondContact O-CB 3.27Å; A349-M353 VanDerWaalsContact O-CG 3.31Å; A349-M353 WeakPolarHBondContact O-CG 3.11Å; A349-M353 PolarHBondContact O-N 2.72Å; E350-M353 PolarHBondContact O-N 2.97Å; M353-F356 HydrophobicContact CE-CD1 3.84Å; M353-F356 HydrophobicContact CE-CE1 4.47Å; M353-F356 HydrophobicContact SD-CD1 4.42Å; M353-K357 WeakPolarHBondContact O-CB 3.47Å; M353-K357 VanDerWaalsContact O-CG 3.31Å; M353-K357 WeakPolarHBondContact O-CG 3.34Å; M353-K357 PolarHBondContact O-N 2.76Å; M353-K357 VanDerWaalsContact O-N 3.08Å
354K95.7Very high93.7Very high169 Ų16948.7 Ų48.774%0.73524%0.242SC*.Hα-helixtrans-65.6-46.9173.7-176.8-177.8177.4-175.70111.3E350 A351 C352 A358E350-K354 WeakPolarHBondContact O-CB 3.37Å; E350-K354 PolarHBondContact O-N 3.04Å; A351-K354 PolarHBondContact O-N 3.05Å; C352-K354 VanDerWaalsContact C-N 3.27Å; C352-K354 PolarHBondContact O-N 3.46Å; K354-A358 PolarHBondContact O-N 3.34Å
355K95Very high93.8Very high112 Ų11254.1 Ų54.149%0.48727%0.268SS..Hα-helixtrans-63.9-42.6174.5-75.3-105-175.8154.30111.2L255 A351 C352 K357 A358L255-K355 HydrophobicContact CB-CB 4.26Å; L255-K355 HydrophobicContact CB-CG 4.47Å; L255-K355 HydrophobicContact CD1-CB 4.06Å; L255-K355 VanDerWaalsContact O-CE 3.32Å; L255-K355 WeakPolarHBondContact O-CE 3.48Å; L255-K355 PolarHBondContact O-NZ 3.24Å; A351-K355 PolarHBondContact O-N 2.84Å; C352-K355 PolarHBondContact O-N 3.21Å; K355-K357 PolarHBondContact O-N 3.19Å; K355-A358 WeakPolarHBondContact O-CB 3.27Å; K355-A358 PolarHBondContact O-N 3.32Å; K355-A358 VanDerWaalsContact O-N 3.17Å
356F95.3Very high93.9Very high28 Ų2854.8 Ų54.812%0.12327%0.272CS..Iπ-helixtrans-57.4-51.3-179.7179.8-102.8000113L246 M251 C352 M353 A358 V360 D361 L472L246-F356 HydrophobicContact CD1-CE2 3.99Å; L246-F356 HydrophobicContact CD1-CZ 4.48Å; L246-F356 HydrophobicContact CD2-CD2 3.84Å; L246-F356 HydrophobicContact CD2-CE2 3.75Å; M251-F356 HydrophobicContact CE-CB 3.57Å; M251-F356 HydrophobicContact CE-CD2 3.95Å; M251-F356 HydrophobicContact CE-CG 3.99Å; C352-F356 WeakPolarHBondContact O-CB 3.44Å; C352-F356 PolarHBondContact O-N 3.08Å; M353-F356 HydrophobicContact CE-CD1 3.84Å; M353-F356 HydrophobicContact CE-CE1 4.47Å; M353-F356 HydrophobicContact SD-CD1 4.42Å; F356-A358 PolarHBondContact O-N 2.76Å; F356-V360 HydrophobicContact CD2-CB 4.11Å; F356-V360 HydrophobicContact CD2-CG1 4.14Å; F356-V360 PolarHBondContact O-N 3.36Å; F356-D361 HydrophobicContact CD1-CB 4.35Å; F356-D361 HydrophobicContact CE1-CB 3.82Å; F356-D361 HydrophobicContact CE2-CB 4.09Å; F356-D361 HydrophobicContact CZ-CB 3.67Å; F356-D361 PolarHBondContact O-N 2.98Å; F356-L472 HydrophobicContact CE2-CD1 4.35Å; F356-L472 HydrophobicContact CZ-CD1 3.8Å
357K93.8Very high94.1Very high151 Ų15154.5 Ų54.566%0.65727%0.27SS*.Iπ-helixtrans-70.2-14.8-179.7-69.4176.8-179.7-179.60114.3M353 K355M353-K357 WeakPolarHBondContact O-CB 3.47Å; M353-K357 VanDerWaalsContact O-CG 3.31Å; M353-K357 WeakPolarHBondContact O-CG 3.34Å; M353-K357 PolarHBondContact O-N 2.76Å; M353-K357 VanDerWaalsContact O-N 3.08Å; K355-K357 PolarHBondContact O-N 3.19Å
358A91Very high94.3Very high79 Ų7951.9 Ų51.965%0.65326%0.258SS*.Iπ-helixtrans-80.2-43.2-178.500000111.7K354 K355 F356K354-A358 PolarHBondContact O-N 3.34Å; K355-A358 WeakPolarHBondContact O-CB 3.27Å; K355-A358 PolarHBondContact O-N 3.32Å; K355-A358 VanDerWaalsContact O-N 3.17Å; F356-A358 PolarHBondContact O-N 2.76Å
359S87Confident94.2Very high40 Ų4052.8 Ų52.828%0.2826%0.263SS..Iπ-helixtrans-153.9-28.8-174.955.40000115.4D361S359-D361 PolarHBondContact O-N 3.2Å
360V92.4Very high94.2Very high4 Ų453 Ų532%0.02426%0.264CS..Iπ-helixtrans-73.2-28.6-169.5-175.20000112.6H244 L255 F356 K362 L363 C364H244-V360 HydrophobicContact CB-CG1 4Å; H244-V360 VanDerWaalsContact CD2-CG1 3.45Å; H244-V360 WeakPolarHBondContact CD2-CG1 3.47Å; L255-V360 HydrophobicContact CD1-CG2 4.36Å; L255-V360 HydrophobicContact CD2-CG2 3.87Å; F356-V360 HydrophobicContact CD2-CB 4.11Å; F356-V360 HydrophobicContact CD2-CG1 4.14Å; F356-V360 PolarHBondContact O-N 3.36Å; V360-K362 VanDerWaalsContact C-N 3.33Å; V360-K362 PolarHBondContact O-N 3.39Å; V360-L363 WeakPolarHBondContact O-CB 3.13Å; V360-L363 PolarHBondContact O-N 3.29Å; V360-L363 VanDerWaalsContact O-N 3.1Å; V360-C364 PolarHBondContact O-N 2.91Å; V360-C364 PolarHBondContact O-SG 2.87Å; V360-C364 VanDerWaalsContact O-SG 3.37Å
361D93Very high94.2Very high56 Ų5648.5 Ų48.530%0.29925%0.246SC..Hα-helixtrans-54.4-47.5179.167.7-28.6000112.8F356 S359 E365F356-D361 HydrophobicContact CD1-CB 4.35Å; F356-D361 HydrophobicContact CE1-CB 3.82Å; F356-D361 HydrophobicContact CE2-CB 4.09Å; F356-D361 HydrophobicContact CZ-CB 3.67Å; F356-D361 PolarHBondContact O-N 2.98Å; S359-D361 PolarHBondContact O-N 3.2Å; D361-E365 PolarHBondContact O-N 2.78Å
362K91.1Very high94.1Very high141 Ų14150.9 Ų50.961%0.61325%0.254SS*.Hα-helixtrans-70.6-33.5177-66.7170.3-173.2172.70112.5V360V360-K362 VanDerWaalsContact C-N 3.33Å; V360-K362 PolarHBondContact O-N 3.39Å
363L95.1Very high93.8Very high0 Ų051.8 Ų51.80%026%0.264CS..Hα-helixtrans-65-49.6176.1-69.3173.7000110V360 E365 V366 E367 V391 I397 D401 I405V360-L363 WeakPolarHBondContact O-CB 3.13Å; V360-L363 PolarHBondContact O-N 3.29Å; V360-L363 VanDerWaalsContact O-N 3.1Å; L363-E365 VanDerWaalsContact C-N 3.26Å; L363-E365 PolarHBondContact O-N 3Å; L363-V366 PolarHBondContact O-N 3.12Å; L363-V366 VanDerWaalsContact O-N 3.14Å; L363-E367 WeakPolarHBondContact O-CB 3.4Å; L363-E367 VanDerWaalsContact O-CG 3.26Å; L363-E367 WeakPolarHBondContact O-CG 2.97Å; L363-E367 PolarHBondContact O-N 3.37Å; L363-V391 HydrophobicContact CD2-CG1 3.54Å; L363-I397 HydrophobicContact CD1-CG2 4.43Å; L363-I397 HydrophobicContact CD2-CD1 4.15Å; L363-I397 HydrophobicContact CD2-CG2 4.19Å; L363-D401 HydrophobicContact CD1-CB 3.85Å; L363-I405 HydrophobicContact CD2-CD1 4.33Å; L363-I405 HydrophobicContact CD2-CG1 4.21Å
364C96.4Very high93.6Very high0 Ų051.6 Ų51.60%027%0.265CS..Hα-helixtrans-55.9-38.3179.7-70.30000112.8H244 V360 E367 Q368 L472H244-C364 VanDerWaalsContact CB-SG 3.58Å; V360-C364 PolarHBondContact O-N 2.91Å; V360-C364 PolarHBondContact O-SG 2.87Å; V360-C364 VanDerWaalsContact O-SG 3.37Å; C364-E367 PolarHBondContact O-N 2.72Å; C364-Q368 WeakPolarHBondContact O-CB 3.28Å; C364-Q368 WeakPolarHBondContact O-CG 3.45Å; C364-Q368 PolarHBondContact O-N 3.21Å; C364-L472 HydrophobicContact CB-CB 4.18Å; C364-L472 HydrophobicContact CB-CD1 4.31Å; C364-L472 HydrophobicContact CB-CD2 4.16Å; C364-L472 HydrophobicContact CB-CG 4.45Å
365E93.4Very high93.3Very high115 Ų11545.8 Ų45.854%0.53724%0.242SC..Hα-helixtrans-58-52.8177.4-173.1178.6-179.600111D361 L363 Q368 D369 L472D361-E365 PolarHBondContact O-N 2.78Å; L363-E365 VanDerWaalsContact C-N 3.26Å; L363-E365 PolarHBondContact O-N 3Å; E365-Q368 PolarHBondContact O-N 2.75Å; E365-D369 PolarHBondContact O-N 2.77Å; E365-D369 VanDerWaalsContact O-N 3.15Å; E365-L472 HydrophobicContact CB-CD2 4.07Å
366V95.7Very high93Very high15 Ų1543.8 Ų43.89%0.09124%0.239CC..Hα-helixtrans-65.8-41.4178.8-178.20000111.5L363 Q368 D369 L370 I388 V391 I405L363-V366 PolarHBondContact O-N 3.12Å; L363-V366 VanDerWaalsContact O-N 3.14Å; V366-Q368 PolarHBondContact O-N 3.41Å; V366-D369 PolarHBondContact O-N 3.02Å; V366-L370 HydrophobicContact CG1-CD1 3.85Å; V366-L370 HydrophobicContact CG1-CG 4.28Å; V366-L370 WeakPolarHBondContact O-CB 3.24Å; V366-L370 VanDerWaalsContact O-CG 3.22Å; V366-L370 WeakPolarHBondContact O-CG 3.34Å; V366-L370 PolarHBondContact O-N 3.25Å; V366-I388 HydrophobicContact CG1-CG2 3.96Å; V366-V391 HydrophobicContact CG2-CG2 4.23Å; V366-I405 HydrophobicContact CB-CD1 4.24Å; V366-I405 HydrophobicContact CG1-CD1 4.06Å; V366-I405 HydrophobicContact CG1-CG2 4.47Å
367E96.7Very high92.6Very high0 Ų049 Ų490%027%0.268CS..Hα-helixtrans-60.4-46.2179.1-73.7-175.8178.700112.2L243 H244 L363 C364 L370 A371 I405 L408L243-E367 HydrophobicContact CD2-CB 3.82Å; L243-E367 HydrophobicContact CD2-CG 4.47Å; H244-E367 WeakPolarHBondContact CB-OE2 3.49Å; H244-E367 IonicContact CE1-OE1 3.63Å; H244-E367 IonicContact CG-OE1 3.45Å; H244-E367 IonicContact CG-OE2 2.77Å; H244-E367 PolarHBondContact N-OE2 3.31Å; H244-E367 IonicContact ND1-OE1 3.83Å; H244-E367 PolarHBondContact ND1-OE1 3.49Å; H244-E367 IonicContact ND1-OE2 3.76Å; H244-E367 PolarHBondContact ND1-OE2 3.25Å; L363-E367 WeakPolarHBondContact O-CB 3.4Å; L363-E367 VanDerWaalsContact O-CG 3.26Å; L363-E367 WeakPolarHBondContact O-CG 2.97Å; L363-E367 PolarHBondContact O-N 3.37Å; C364-E367 PolarHBondContact O-N 2.72Å; E367-L370 PolarHBondContact O-N 3.24Å; E367-A371 WeakPolarHBondContact O-CB 3.25Å; E367-A371 PolarHBondContact O-N 2.75Å; E367-I405 HydrophobicContact CG-CD1 3.53Å; E367-L408 HydrophobicContact CB-CD1 3.8Å; E367-L408 HydrophobicContact CG-CD1 3.56Å
368Q95.1Very high92.2Very high2 Ų243.9 Ų43.91%0.00926%0.258CS..Hα-helixtrans-68-39.9-178.9-65-67.2-45.400111.1C364 E365 V366 L370 A371 M372 L472 R474C364-Q368 WeakPolarHBondContact O-CB 3.28Å; C364-Q368 WeakPolarHBondContact O-CG 3.45Å; C364-Q368 PolarHBondContact O-N 3.21Å; E365-Q368 PolarHBondContact O-N 2.75Å; V366-Q368 PolarHBondContact O-N 3.41Å; Q368-L370 PolarHBondContact O-N 2.97Å; Q368-A371 PolarHBondContact O-N 3.38Å; Q368-M372 VanDerWaalsContact O-CB 3.23Å; Q368-M372 WeakPolarHBondContact O-CB 3.35Å; Q368-M372 WeakPolarHBondContact O-CG 3.27Å; Q368-M372 PolarHBondContact O-N 3.17Å; Q368-L472 VanDerWaalsContact CG-O 3.32Å; Q368-L472 WeakPolarHBondContact CG-O 3.44Å; Q368-L472 PolarHBondContact NE2-O 3.3Å; Q368-R474 VanDerWaalsContact CB-NH2 3.25Å
369D94.7Very high92.2Very high18 Ų1845.4 Ų45.410%0.09625%0.252CS..Hα-helixtrans-62.2-43175-73.6-6000112E365 V366 G373 D375 L381 R474E365-D369 PolarHBondContact O-N 2.77Å; E365-D369 VanDerWaalsContact O-N 3.15Å; V366-D369 PolarHBondContact O-N 3.02Å; D369-G373 VanDerWaalsContact O-CA 3.27Å; D369-G373 WeakPolarHBondContact O-CA 2.99Å; D369-G373 PolarHBondContact O-N 2.97Å; D369-D375 WeakPolarHBondContact OD1-CA 3.49Å; D369-L381 HydrophobicContact CB-CD1 4.5Å; D369-L381 HydrophobicContact CB-CD2 4.39Å; D369-R474 IonicContact OD1-CZ 2.74Å; D369-R474 IonicContact OD1-NH1 3.99Å; D369-R474 IonicContact OD1-NH2 3.81Å; D369-R474 PolarHBondContact OD1-NH2 3.29Å
370L95.6Very high92.3Very high4 Ų447.3 Ų47.32%0.02126%0.263CS..Hα-helixtrans-67.2-46177.8-70173.6000111.8V366 E367 Q368 L381 A384 I388 I405 L408 Y409 H412V366-L370 HydrophobicContact CG1-CD1 3.85Å; V366-L370 HydrophobicContact CG1-CG 4.28Å; V366-L370 WeakPolarHBondContact O-CB 3.24Å; V366-L370 VanDerWaalsContact O-CG 3.22Å; V366-L370 WeakPolarHBondContact O-CG 3.34Å; V366-L370 PolarHBondContact O-N 3.25Å; E367-L370 PolarHBondContact O-N 3.24Å; Q368-L370 PolarHBondContact O-N 2.97Å; L370-L381 HydrophobicContact CD2-CD2 4.05Å; L370-A384 HydrophobicContact CD2-CB 4Å; L370-I388 HydrophobicContact CD1-CG2 3.85Å; L370-I388 HydrophobicContact CD2-CG2 4.38Å; L370-I405 HydrophobicContact CD1-CG2 4.29Å; L370-L408 HydrophobicContact CB-CB 3.89Å; L370-L408 HydrophobicContact CD1-CB 3.88Å; L370-Y409 HydrophobicContact CD2-CD2 4.23Å; L370-H412 HydrophobicContact CD2-CB 4.32Å; L370-H412 PolarHBondContact O-ND1 3.35Å
371A94.3Very high92.2Very high15 Ų1548.7 Ų48.712%0.12427%0.271CS..Hα-helixtrans-68.1-41.2-177.600000112.2I239 L243 E367 Q368 L408 W475I239-A371 HydrophobicContact CG2-CB 4.07Å; L243-A371 HydrophobicContact CD1-CB 4.26Å; L243-A371 HydrophobicContact CD2-CB 4.1Å; E367-A371 WeakPolarHBondContact O-CB 3.25Å; E367-A371 PolarHBondContact O-N 2.75Å; Q368-A371 PolarHBondContact O-N 3.38Å; A371-L408 HydrophobicContact CB-CD2 4.33Å; A371-W475 HydrophobicContact CB-CD2 4.28Å; A371-W475 HydrophobicContact CB-CE3 3.62Å; A371-W475 HydrophobicContact CB-CZ3 4.12Å; A371-W475 VanDerWaalsContact O-CZ3 3.3Å; A371-W475 WeakPolarHBondContact O-CZ3 3.47Å
372M91.8Very high91.7Very high71 Ų7155.4 Ų55.435%0.3530%0.297SS..Hα-helixtrans-80.5-28.1178.5-60.5-57.7-69.400112.3Q368 T374 R474 W475Q368-M372 VanDerWaalsContact O-CB 3.23Å; Q368-M372 WeakPolarHBondContact O-CB 3.35Å; Q368-M372 WeakPolarHBondContact O-CG 3.27Å; Q368-M372 PolarHBondContact O-N 3.17Å; M372-T374 PolarHBondContact O-N 3.19Å; M372-R474 HydrophobicContact CE-CB 4.27Å; M372-R474 HydrophobicContact CG-CB 3.92Å; M372-R474 HydrophobicContact SD-CB 4.16Å; M372-W475 HydrophobicContact SD-CB 4.39Å; M372-W475 HydrophobicContact SD-CE3 4.05Å
373G90.9Very high91.5Very high19 Ų1951.8 Ų51.820%0.19628%0.284CS..SBendtrans761.9-173.100000114.4D369 L381D369-G373 VanDerWaalsContact O-CA 3.27Å; D369-G373 WeakPolarHBondContact O-CA 2.99Å; D369-G373 PolarHBondContact O-N 2.97Å; G373-L381 PolarHBondContact O-N 2.81Å
374T91.1Very high91.2Very high44 Ų4451.9 Ų51.927%0.2729%0.285SS..BIsolated β-bridgetrans-134.2153.8177.361.10000110M372 E379 R474M372-T374 PolarHBondContact O-N 3.19Å; T374-E379 CarbonylContact C-O 3.48Å; T374-E379 WeakPolarHBondContact CA-O 3.33Å; T374-E379 WeakPolarHBondContact CB-O 3.42Å; T374-R474 PolarHBondContact O-NH1 3.01Å
375D90.3Very high90.9Very high47 Ų4754.9 Ų54.925%0.25130%0.3SS..  trans-75.2-175.617267.119.5000112.3D369 D377 G378 E379 R474D369-D375 WeakPolarHBondContact OD1-CA 3.49Å; D375-D377 PolarHBondContact O-N 2.92Å; D375-D377 WeakPolarHBondContact OD1-CA 3.35Å; D375-D377 PolarHBondContact OD1-N 3.49Å; D375-G378 PolarHBondContact O-N 2.88Å; D375-G378 VanDerWaalsContact O-N 3.09Å; D375-G378 PolarHBondContact OD1-N 3.02Å; D375-G378 VanDerWaalsContact OD1-N 3.07Å; D375-E379 PolarHBondContact N-O 2.96Å; D375-E379 PolarHBondContact OD1-N 2.81Å; D375-R474 PolarHBondContact O-NH1 3.05Å
376V88Confident90.8Very high70 Ų7056.6 Ų56.642%0.42431%0.306SS..THydrogen-bonded Turntrans-61.7-25-179.8-64.70000113.5G378 Q471V376-G378 VanDerWaalsContact C-N 3.34Å; V376-Q471 HydrophobicContact CG1-CB 4.03Å; V376-Q471 HydrophobicContact CG1-CG 4.28Å
377D87.1Confident90.5Very high137 Ų13757.8 Ų57.873%0.73331%0.314SS*.THydrogen-bonded Turntrans-90-4.7179-63.7-44.1000111.9D375D375-D377 PolarHBondContact O-N 2.92Å; D375-D377 WeakPolarHBondContact OD1-CA 3.35Å; D375-D377 PolarHBondContact OD1-N 3.49Å
378G86.2Confident90.4Very high44 Ų4457.8 Ų57.845%0.45431%0.314SS..SBendtrans86.98.5-178.800000113.5D375 V376D375-G378 PolarHBondContact O-N 2.88Å; D375-G378 VanDerWaalsContact O-N 3.09Å; D375-G378 PolarHBondContact OD1-N 3.02Å; D375-G378 VanDerWaalsContact OD1-N 3.07Å; V376-G378 VanDerWaalsContact C-N 3.34Å
379E89.8Confident90.4Very high112 Ų11260.3 Ų60.352%0.52333%0.33SS..  trans-79.4139.8178.5-69.1-66140.800110.7T374 D375T374-E379 CarbonylContact C-O 3.48Å; T374-E379 WeakPolarHBondContact CA-O 3.33Å; T374-E379 WeakPolarHBondContact CB-O 3.42Å; D375-E379 PolarHBondContact N-O 2.96Å; D375-E379 PolarHBondContact OD1-N 2.81Å
380P89.9Confident90.3Very high79 Ų7963.3 Ų63.351%0.51335%0.351SS..BIsolated β-bridgetrans-66.7137.9-177.527.4-34.4000111.6K382P380-K382 PolarHBondContact O-N 3.03Å
381L89.2Confident90.3Very high34 Ų3463.8 Ų63.818%0.17835%0.353CS..  trans-68.6104.8-178.4-169.165.7000111.4D369 L370 G373 A384D369-L381 HydrophobicContact CB-CD1 4.5Å; D369-L381 HydrophobicContact CB-CD2 4.39Å; L370-L381 HydrophobicContact CD2-CD2 4.05Å; G373-L381 PolarHBondContact O-N 2.81Å; L381-A384 HydrophobicContact CD2-CB 3.5Å; L381-A384 HydrophobicContact CG-CB 4.07Å
382K83.1Confident90.3Very high196 Ų19663.1 Ų63.185%0.85235%0.348SS*.SBendtrans-74.3-42.9-175.6-67.5178.6-176.41680113.7P380P380-K382 PolarHBondContact O-N 3.03Å
383D86.4Confident90.5Very high65 Ų6564.7 Ų64.735%0.34836%0.357SS..  trans-136.373.6-175.2-167.5-7000111.4M385 K386D383-M385 PolarHBondContact O-N 3.07Å; D383-M385 VanDerWaalsContact O-N 3.11Å; D383-M385 PolarHBondContact OD1-N 3.31Å; D383-K386 HydrophobicContact CB-CD 4.17Å; D383-K386 HydrophobicContact CB-CG 4.38Å; D383-K386 PolarHBondContact O-N 2.93Å; D383-K386 VanDerWaalsContact O-N 3.12Å; D383-K386 VanDerWaalsContact OD2-CD 3.24Å; D383-K386 WeakPolarHBondContact OD2-CD 3.31Å; D383-K386 WeakPolarHBondContact OD2-CE 2.98Å; D383-K386 WeakPolarHBondContact OD2-CG 3.35Å; D383-K386 IonicContact OD2-NZ 2.65Å; D383-K386 PolarHBondContact OD2-NZ 3.3Å
384A90.5Very high90.6Very high2 Ų266.5 Ų66.52%0.01736%0.362CS..Hα-helixtrans-55.6-26.8178.200000113.3L370 L381 K386 S387 I388 Y409L370-A384 HydrophobicContact CD2-CB 4Å; L381-A384 HydrophobicContact CD2-CB 3.5Å; L381-A384 HydrophobicContact CG-CB 4.07Å; A384-K386 VanDerWaalsContact C-N 3.31Å; A384-K386 PolarHBondContact O-N 2.88Å; A384-S387 PolarHBondContact O-N 2.78Å; A384-I388 PolarHBondContact O-N 2.98Å; A384-Y409 HydrophobicContact CB-CD2 4Å; A384-Y409 HydrophobicContact CB-CE2 3.91Å
385M90.3Very high90.7Very high64 Ų6470.4 Ų70.432%0.31539%0.386SS..Hα-helixtrans-64.8-35.9179.6-75-64.5-56.900112D383 S387 I388 V389 Y409 L425D383-M385 PolarHBondContact O-N 3.07Å; D383-M385 VanDerWaalsContact O-N 3.11Å; D383-M385 PolarHBondContact OD1-N 3.31Å; M385-S387 VanDerWaalsContact C-N 3.26Å; M385-S387 PolarHBondContact O-N 3.33Å; M385-I388 HydrophobicContact CE-CD1 4.34Å; M385-I388 PolarHBondContact O-N 3.04Å; M385-I388 HydrophobicContact SD-CD1 3.64Å; M385-I388 HydrophobicContact SD-CG1 4.26Å; M385-V389 HydrophobicContact CE-CG2 3.91Å; M385-V389 VanDerWaalsContact O-CG2 3.23Å; M385-V389 WeakPolarHBondContact O-CG2 3.44Å; M385-V389 PolarHBondContact O-N 2.92Å; M385-V389 VanDerWaalsContact O-N 3.08Å; M385-Y409 HydrophobicContact CG-CE2 4.24Å; M385-Y409 HydrophobicContact SD-CE1 4.02Å; M385-Y409 HydrophobicContact SD-CE2 3.9Å; M385-Y409 PolarHBondContact SD-OH 3.49Å; M385-Y409 VanDerWaalsContact SD-OH 3.36Å; M385-L425 HydrophobicContact CE-CD2 3.96Å; M385-L425 HydrophobicContact SD-CD2 4.31Å
386K90.8Very high90.7Very high151 Ų15174.9 Ų74.966%0.65741%0.41SS*.Hα-helixtrans-62.8-33.9177.4-77.4179.5177.5125.20112.7D383 A384 P390D383-K386 HydrophobicContact CB-CD 4.17Å; D383-K386 HydrophobicContact CB-CG 4.38Å; D383-K386 PolarHBondContact O-N 2.93Å; D383-K386 VanDerWaalsContact O-N 3.12Å; D383-K386 VanDerWaalsContact OD2-CD 3.24Å; D383-K386 WeakPolarHBondContact OD2-CD 3.31Å; D383-K386 WeakPolarHBondContact OD2-CE 2.98Å; D383-K386 WeakPolarHBondContact OD2-CG 3.35Å; D383-K386 IonicContact OD2-NZ 2.65Å; D383-K386 PolarHBondContact OD2-NZ 3.3Å; A384-K386 VanDerWaalsContact C-N 3.31Å; A384-K386 PolarHBondContact O-N 2.88Å; K386-P390 WeakPolarHBondContact O-CD 3.34Å
387S89.8Confident91Very high39 Ų3972.3 Ų72.327%0.27339%0.394SS..Hα-helixtrans-77.4-38179.4-51.40000112.1A384 M385A384-S387 PolarHBondContact O-N 2.78Å; M385-S387 VanDerWaalsContact C-N 3.26Å; M385-S387 PolarHBondContact O-N 3.33Å
388I94.4Very high91.3Very high0 Ų069.8 Ų69.80%038%0.381CS..Hα-helixtrans-82-35.1-175.772.3179.7000113.7V366 L370 A384 M385 V391 L392 I405 Y409 L425V366-I388 HydrophobicContact CG1-CG2 3.96Å; L370-I388 HydrophobicContact CD1-CG2 3.85Å; L370-I388 HydrophobicContact CD2-CG2 4.38Å; A384-I388 PolarHBondContact O-N 2.98Å; M385-I388 HydrophobicContact CE-CD1 4.34Å; M385-I388 PolarHBondContact O-N 3.04Å; M385-I388 HydrophobicContact SD-CD1 3.64Å; M385-I388 HydrophobicContact SD-CG1 4.26Å; I388-V391 WeakPolarHBondContact O-CA 3.48Å; I388-V391 WeakPolarHBondContact O-CB 3.4Å; I388-V391 PolarHBondContact O-N 3.29Å; I388-L392 HydrophobicContact CD1-CD1 4.46Å; I388-L392 HydrophobicContact CG1-CD1 4.42Å; I388-L392 WeakPolarHBondContact O-CG 3.32Å; I388-L392 PolarHBondContact O-N 2.91Å; I388-I405 HydrophobicContact CB-CG2 3.91Å; I388-I405 HydrophobicContact CG2-CG2 3.71Å; I388-Y409 HydrophobicContact CD1-CD1 4.08Å; I388-Y409 HydrophobicContact CD1-CD2 3.78Å; I388-Y409 HydrophobicContact CD1-CE1 4.45Å; I388-Y409 HydrophobicContact CD1-CE2 4.18Å; I388-Y409 HydrophobicContact CD1-CG 3.72Å; I388-L425 HydrophobicContact CD1-CD2 3.99Å
389V93.5Very high91.8Very high55 Ų5570.3 Ų70.333%0.33338%0.376SS..Hα-helixtrans-57.2-44.5-173.9167.30000113.1M385 V391 L392 L393M385-V389 HydrophobicContact CE-CG2 3.91Å; M385-V389 VanDerWaalsContact O-CG2 3.23Å; M385-V389 WeakPolarHBondContact O-CG2 3.44Å; M385-V389 PolarHBondContact O-N 2.92Å; M385-V389 VanDerWaalsContact O-N 3.08Å; V389-V391 PolarHBondContact O-N 2.9Å; V389-L392 PolarHBondContact O-N 3.17Å; V389-L393 HydrophobicContact CG1-CD1 3.68Å; V389-L393 HydrophobicContact CG1-CG 4.21Å; V389-L393 WeakPolarHBondContact O-CG 3.16Å; V389-L393 PolarHBondContact O-N 3.17Å
390P94Very high92.1Very high82 Ų8266.5 Ų66.553%0.53236%0.357SS..Hα-helixtrans-58.4-36175.2-25.435.3000113.4K386 N394K386-P390 WeakPolarHBondContact O-CD 3.34Å; P390-N394 WeakPolarHBondContact O-CB 3.19Å; P390-N394 PolarHBondContact O-N 2.91Å
391V94.5Very high92.4Very high13 Ų1363.8 Ų63.88%0.07934%0.338CS..Hα-helixtrans-69.2-45.9177.4175.70000110.7L363 V366 I388 V389 L393 N394 I397 I405L363-V391 HydrophobicContact CD2-CG1 3.54Å; V366-V391 HydrophobicContact CG2-CG2 4.23Å; I388-V391 WeakPolarHBondContact O-CA 3.48Å; I388-V391 WeakPolarHBondContact O-CB 3.4Å; I388-V391 PolarHBondContact O-N 3.29Å; V389-V391 PolarHBondContact O-N 2.9Å; V391-L393 PolarHBondContact O-N 3.33Å; V391-N394 PolarHBondContact O-N 3.2Å; V391-I397 HydrophobicContact CB-CD1 4.34Å; V391-I397 HydrophobicContact CG1-CD1 3.75Å; V391-I405 HydrophobicContact CG1-CG1 4.06Å
392L94.9Very high92.8Very high1 Ų162.8 Ų62.81%0.00533%0.332CS..Hα-helixtrans-65.9-38-177.9-59.2-175.5000112.5I388 V389 N394 K402 I405 I406 L425 A429I388-L392 HydrophobicContact CD1-CD1 4.46Å; I388-L392 HydrophobicContact CG1-CD1 4.42Å; I388-L392 WeakPolarHBondContact O-CG 3.32Å; I388-L392 PolarHBondContact O-N 2.91Å; V389-L392 PolarHBondContact O-N 3.17Å; L392-N394 VanDerWaalsContact C-N 3.33Å; L392-K402 HydrophobicContact CD2-CB 4.06Å; L392-K402 HydrophobicContact CD2-CG 4.42Å; L392-K402 WeakPolarHBondContact O-CE 3.43Å; L392-K402 PolarHBondContact O-NZ 2.94Å; L392-I405 HydrophobicContact CD2-CG2 4.4Å; L392-I406 HydrophobicContact CD1-CG1 4.27Å; L392-I406 HydrophobicContact CD2-CD1 4.16Å; L392-I406 HydrophobicContact CD2-CG1 3.85Å; L392-L425 HydrophobicContact CD1-CD2 3.65Å; L392-A429 HydrophobicContact CB-CB 4.16Å; L392-A429 HydrophobicContact CD2-CB 4.03Å; L392-A429 HydrophobicContact CG-CB 4.47Å
393L94.9Very high93.5Very high104 Ų10453.5 Ų53.555%0.54529%0.292SS..Hα-helixtrans-77.3-16.6-180-65.1177.1000113.7V389 V391 T395 H428V389-L393 HydrophobicContact CG1-CD1 3.68Å; V389-L393 HydrophobicContact CG1-CG 4.21Å; V389-L393 WeakPolarHBondContact O-CG 3.16Å; V389-L393 PolarHBondContact O-N 3.17Å; V391-L393 PolarHBondContact O-N 3.33Å; L393-T395 PolarHBondContact O-N 2.72Å; L393-H428 HydrophobicContact CD2-CB 4.25Å
394N93.8Very high94.1Very high58 Ų5850.5 Ų50.531%0.3128%0.276SS..  trans-72.8120.9-179.2-172-12000111P390 V391 L392 D396 I397 K402P390-N394 WeakPolarHBondContact O-CB 3.19Å; P390-N394 PolarHBondContact O-N 2.91Å; V391-N394 PolarHBondContact O-N 3.2Å; L392-N394 VanDerWaalsContact C-N 3.33Å; N394-D396 VanDerWaalsContact C-N 3.3Å; N394-D396 PolarHBondContact O-N 3.29Å; N394-D396 WeakPolarHBondContact OD1-CB 3.37Å; N394-D396 PolarHBondContact OD1-N 3.38Å; N394-I397 HydrophobicContact CB-CD1 3.82Å; N394-I397 HydrophobicContact CB-CG1 3.99Å; N394-K402 WeakPolarHBondContact O-CE 3.48Å; N394-K402 PolarHBondContact O-NZ 3.27Å
395T92.3Very high94.4Very high126 Ų12650.4 Ų50.477%0.77328%0.275SS*.THydrogen-bonded Turntrans-76-17179.952.50000113.8L393 I397L393-T395 PolarHBondContact O-N 2.72Å; T395-I397 VanDerWaalsContact C-N 3.28Å
396D91.8Very high94.8Very high140 Ų14047.4 Ų47.475%0.74926%0.26SS*.THydrogen-bonded Turntrans-81.7-9.9-179.7-58.1-26.6000112.5N394N394-D396 VanDerWaalsContact C-N 3.3Å; N394-D396 PolarHBondContact O-N 3.29Å; N394-D396 WeakPolarHBondContact OD1-CB 3.37Å; N394-D396 PolarHBondContact OD1-N 3.38Å
397I93.6Very high95.1Very high17 Ų1740.2 Ų40.29%0.08723%0.229CC..SBendtrans-91.8133.2179.8-61.4-178.2000109.6L363 V391 N394 T395 D401 K402L363-I397 HydrophobicContact CD1-CG2 4.43Å; L363-I397 HydrophobicContact CD2-CD1 4.15Å; L363-I397 HydrophobicContact CD2-CG2 4.19Å; V391-I397 HydrophobicContact CB-CD1 4.34Å; V391-I397 HydrophobicContact CG1-CD1 3.75Å; N394-I397 HydrophobicContact CB-CD1 3.82Å; N394-I397 HydrophobicContact CB-CG1 3.99Å; T395-I397 VanDerWaalsContact C-N 3.28Å; I397-D401 HydrophobicContact CG2-CB 3.77Å; I397-K402 HydrophobicContact CG2-CG 3.95Å; I397-K402 WeakPolarHBondContact O-CE 3.31Å
398D94.1Very high95.5Very high84 Ų8438.4 Ų38.445%0.44922%0.216SC..  trans-61.3141.6-178.1-170.1-85.6000111.7Y400 D401 K402D398-Y400 PolarHBondContact O-N 2.89Å; D398-Y400 WeakPolarHBondContact OD1-CB 3.43Å; D398-Y400 PolarHBondContact OD1-N 3.19Å; D398-D401 HydrophobicContact CB-CB 4.45Å; D398-D401 PolarHBondContact O-N 2.82Å; D398-D401 VanDerWaalsContact O-N 3.09Å; D398-K402 PolarHBondContact O-N 2.78Å; D398-K402 VanDerWaalsContact O-N 3.11Å
399P95.8Very high95.6Very high54 Ų5439.3 Ų39.335%0.35122%0.219SC..Hα-helixtrans-51.1-36.5175.1-30.136.9000114.5K402 I403 V431P399-K402 PolarHBondContact O-N 3Å; P399-I403 VanDerWaalsContact O-CG1 3.31Å; P399-I403 WeakPolarHBondContact O-CG1 3.4Å; P399-I403 PolarHBondContact O-N 2.94Å; P399-V431 HydrophobicContact CB-CG1 4Å
400Y96.6Very high95.6Very high32 Ų3236.7 Ų36.713%0.12520%0.204CC..Hα-helixtrans-70.4-37.9-179.6-80.836.3000110.8D398 K402 I403 R404 T575 L578 N579D398-Y400 PolarHBondContact O-N 2.89Å; D398-Y400 WeakPolarHBondContact OD1-CB 3.43Å; D398-Y400 PolarHBondContact OD1-N 3.19Å; Y400-K402 VanDerWaalsContact C-N 3.33Å; Y400-K402 PolarHBondContact O-N 3.4Å; Y400-I403 WeakPolarHBondContact O-CB 3.41Å; Y400-I403 PolarHBondContact O-N 2.97Å; Y400-I403 VanDerWaalsContact O-N 3.16Å; Y400-R404 VanDerWaalsContact O-CG 3.3Å; Y400-R404 WeakPolarHBondContact O-CG 3.31Å; Y400-R404 PolarHBondContact O-N 2.73Å; Y400-T575 HydrophobicContact CD2-CG2 4.15Å; Y400-T575 HydrophobicContact CE2-CG2 4.13Å; Y400-L578 HydrophobicContact CD2-CB 3.98Å; Y400-L578 HydrophobicContact CD2-CD1 3.74Å; Y400-L578 HydrophobicContact CE2-CB 3.95Å; Y400-L578 HydrophobicContact CG-CD1 4.09Å; Y400-N579 WeakPolarHBondContact CE2-OD1 3.49Å; Y400-N579 PolarHBondContact OH-OD1 3.35Å
401D97.3Very high95.6Very high22 Ų2233.1 Ų33.112%0.11818%0.18CC..Hα-helixtrans-63.7-39.2173.9-67.3-28.3000111.9H244 L363 I397 D398 I403 R404 I405H244-D401 IonicContact CE1-OD1 2.68Å; H244-D401 PolarHBondContact CE1-OD1 2.87Å; H244-D401 VanDerWaalsContact CE1-OD1 3.24Å; H244-D401 IonicContact NE2-OD1 3.42Å; L363-D401 HydrophobicContact CD1-CB 3.85Å; I397-D401 HydrophobicContact CG2-CB 3.77Å; D398-D401 HydrophobicContact CB-CB 4.45Å; D398-D401 PolarHBondContact O-N 2.82Å; D398-D401 VanDerWaalsContact O-N 3.09Å; D401-I403 VanDerWaalsContact C-N 3.33Å; D401-I403 PolarHBondContact O-N 2.83Å; D401-R404 WeakPolarHBondContact O-CB 3.35Å; D401-R404 PolarHBondContact O-N 3.32Å; D401-R404 IonicContact OD1-CZ 3.21Å; D401-R404 IonicContact OD1-NH1 3.66Å; D401-R404 PolarHBondContact OD1-NH1 3.34Å; D401-I405 WeakPolarHBondContact O-CG1 2.91Å; D401-I405 PolarHBondContact O-N 2.77Å; D401-I405 VanDerWaalsContact O-N 3.08Å
402K97.3Very high95.5Very high14 Ų1434.6 Ų34.66%0.06119%0.186CC..Hα-helixtrans-63.4-39.9172.6-63.2-177.7-175-170.40112.1L392 N394 I397 D398 P399 Y400 I405 I406 A429 V431L392-K402 HydrophobicContact CD2-CB 4.06Å; L392-K402 HydrophobicContact CD2-CG 4.42Å; L392-K402 WeakPolarHBondContact O-CE 3.43Å; L392-K402 PolarHBondContact O-NZ 2.94Å; N394-K402 WeakPolarHBondContact O-CE 3.48Å; N394-K402 PolarHBondContact O-NZ 3.27Å; I397-K402 HydrophobicContact CG2-CG 3.95Å; I397-K402 WeakPolarHBondContact O-CE 3.31Å; D398-K402 PolarHBondContact O-N 2.78Å; D398-K402 VanDerWaalsContact O-N 3.11Å; P399-K402 PolarHBondContact O-N 3Å; Y400-K402 VanDerWaalsContact C-N 3.33Å; Y400-K402 PolarHBondContact O-N 3.4Å; K402-I405 PolarHBondContact O-N 3.18Å; K402-I406 VanDerWaalsContact O-CG1 3.29Å; K402-I406 WeakPolarHBondContact O-CG1 3.42Å; K402-I406 PolarHBondContact O-N 2.86Å; K402-A429 HydrophobicContact CB-CB 4.21Å; K402-A429 HydrophobicContact CD-CB 4.04Å; K402-A429 VanDerWaalsContact CD-O 3.29Å; K402-A429 WeakPolarHBondContact CD-O 3.43Å; K402-A429 PolarHBondContact NZ-O 3.05Å; K402-V431 HydrophobicContact CB-CG1 4.25Å; K402-V431 HydrophobicContact CD-CG1 4.45Å
403I97.9Very high95.3Very high0 Ų038.9 Ų38.90%020%0.204CC..Hα-helixtrans-63.1-43.7175.9-70167.7000110.4P399 Y400 D401 I405 I406 L407 V431 N434 I437 I438 L578P399-I403 VanDerWaalsContact O-CG1 3.31Å; P399-I403 WeakPolarHBondContact O-CG1 3.4Å; P399-I403 PolarHBondContact O-N 2.94Å; Y400-I403 WeakPolarHBondContact O-CB 3.41Å; Y400-I403 PolarHBondContact O-N 2.97Å; Y400-I403 VanDerWaalsContact O-N 3.16Å; D401-I403 VanDerWaalsContact C-N 3.33Å; D401-I403 PolarHBondContact O-N 2.83Å; I403-I405 VanDerWaalsContact C-N 3.32Å; I403-I405 PolarHBondContact O-N 2.9Å; I403-I406 PolarHBondContact O-N 3.03Å; I403-L407 HydrophobicContact CG2-CD1 3.95Å; I403-L407 HydrophobicContact CG2-CG 4.28Å; I403-L407 WeakPolarHBondContact O-CB 3.27Å; I403-L407 VanDerWaalsContact O-CG 3.29Å; I403-L407 WeakPolarHBondContact O-CG 3.25Å; I403-L407 PolarHBondContact O-N 2.86Å; I403-V431 HydrophobicContact CD1-CB 4.36Å; I403-V431 HydrophobicContact CG1-CB 4.22Å; I403-V431 HydrophobicContact CG1-CG1 4.36Å; I403-V431 HydrophobicContact CG1-CG2 4.14Å; I403-N434 HydrophobicContact CD1-CB 3.69Å; I403-I437 HydrophobicContact CD1-CD1 4.12Å; I403-I437 HydrophobicContact CG2-CG2 4.08Å; I403-I438 HydrophobicContact CG2-CG1 3.98Å; I403-L578 HydrophobicContact CG2-CD2 4.24Å
404R97.9Very high94.7Very high3 Ų341.1 Ų41.11%0.01121%0.21CC..Hα-helixtrans-55.7-47175.4-67.2160.468.1169.917111.2I242 L243 H244 D254 Y400 D401 L407 L408 L578I242-R404 HydrophobicContact CB-CG 4.31Å; I242-R404 PolarHBondContact O-NE 2.71Å; I242-R404 PolarHBondContact O-NH2 3.08Å; L243-R404 PolarHBondContact O-NH2 3.31Å; H244-R404 PolarHBondContact CD2-NH2 2.96Å; H244-R404 PolarHBondContact CE1-NH1 3.46Å; H244-R404 VanDerWaalsContact N-NH2 3.15Å; H244-R404 VanDerWaalsContact ND1-CZ 3.34Å; H244-R404 PolarHBondContact ND1-NH2 3.37Å; H244-R404 PolarHBondContact NE2-NH1 3.41Å; D254-R404 IonicContact OD1-NH1 3.7Å; D254-R404 IonicContact OD1-NH2 3.57Å; D254-R404 IonicContact OD2-CZ 3.77Å; D254-R404 IonicContact OD2-NH1 3.78Å; D254-R404 IonicContact OD2-NH2 2.72Å; D254-R404 PolarHBondContact OD2-NH2 2.85Å; Y400-R404 VanDerWaalsContact O-CG 3.3Å; Y400-R404 WeakPolarHBondContact O-CG 3.31Å; Y400-R404 PolarHBondContact O-N 2.73Å; D401-R404 WeakPolarHBondContact O-CB 3.35Å; D401-R404 PolarHBondContact O-N 3.32Å; D401-R404 IonicContact OD1-CZ 3.21Å; D401-R404 IonicContact OD1-NH1 3.66Å; D401-R404 PolarHBondContact OD1-NH1 3.34Å; R404-L407 PolarHBondContact O-N 2.89Å; R404-L408 VanDerWaalsContact O-CG 3.3Å; R404-L408 WeakPolarHBondContact O-CG 3.4Å; R404-L408 PolarHBondContact O-N 3.3Å; R404-L578 HydrophobicContact CG-CD1 3.93Å
405I97.8Very high94.3Very high0 Ų045.2 Ų45.20%023%0.225CC..Hα-helixtrans-63.8-42.8177.7-64.2-73.7000112.1L363 V366 E367 L370 I388 V391 L392 D401 K402 I403 L407 L408 Y409L363-I405 HydrophobicContact CD2-CD1 4.33Å; L363-I405 HydrophobicContact CD2-CG1 4.21Å; V366-I405 HydrophobicContact CB-CD1 4.24Å; V366-I405 HydrophobicContact CG1-CD1 4.06Å; V366-I405 HydrophobicContact CG1-CG2 4.47Å; E367-I405 HydrophobicContact CG-CD1 3.53Å; L370-I405 HydrophobicContact CD1-CG2 4.29Å; I388-I405 HydrophobicContact CB-CG2 3.91Å; I388-I405 HydrophobicContact CG2-CG2 3.71Å; V391-I405 HydrophobicContact CG1-CG1 4.06Å; L392-I405 HydrophobicContact CD2-CG2 4.4Å; D401-I405 WeakPolarHBondContact O-CG1 2.91Å; D401-I405 PolarHBondContact O-N 2.77Å; D401-I405 VanDerWaalsContact O-N 3.08Å; K402-I405 PolarHBondContact O-N 3.18Å; I403-I405 VanDerWaalsContact C-N 3.32Å; I403-I405 PolarHBondContact O-N 2.9Å; I405-L407 VanDerWaalsContact C-N 3.33Å; I405-L407 PolarHBondContact O-N 3.44Å; I405-L408 PolarHBondContact O-N 3.36Å; I405-Y409 WeakPolarHBondContact O-CB 3.39Å; I405-Y409 PolarHBondContact O-N 2.95Å
406I97.8Very high94.1Very high0 Ų039.6 Ų39.60%019%0.192CC..Hα-helixtrans-60.7-44.5175.6-69.2166.1000110.4L392 K402 I403 Y409 I410 L422 L425 A429 V431 I438L392-I406 HydrophobicContact CD1-CG1 4.27Å; L392-I406 HydrophobicContact CD2-CD1 4.16Å; L392-I406 HydrophobicContact CD2-CG1 3.85Å; K402-I406 VanDerWaalsContact O-CG1 3.29Å; K402-I406 WeakPolarHBondContact O-CG1 3.42Å; K402-I406 PolarHBondContact O-N 2.86Å; I403-I406 PolarHBondContact O-N 3.03Å; I406-Y409 WeakPolarHBondContact O-CB 3.44Å; I406-Y409 PolarHBondContact O-N 3.4Å; I406-I410 HydrophobicContact CG2-CD1 3.81Å; I406-I410 HydrophobicContact CG2-CG1 4.47Å; I406-I410 VanDerWaalsContact O-CG1 3.24Å; I406-I410 WeakPolarHBondContact O-CG1 3.48Å; I406-I410 PolarHBondContact O-N 3.13Å; I406-L422 HydrophobicContact CG2-CD1 4.25Å; I406-L425 HydrophobicContact CD1-CB 4.42Å; I406-L425 HydrophobicContact CG1-CB 4.45Å; I406-L425 HydrophobicContact CG2-CD1 4.5Å; I406-A429 HydrophobicContact CD1-CB 3.9Å; I406-V431 HydrophobicContact CD1-CG2 4.3Å; I406-I438 HydrophobicContact CB-CD1 4.48Å; I406-I438 HydrophobicContact CD1-CD1 4.41Å; I406-I438 HydrophobicContact CG2-CD1 3.9Å
407L97.5Very high94.2Very high0 Ų033.4 Ų33.40%016%0.158CC..Hα-helixtrans-62.9-46.6178.5-71.8175.8000112.3I242 I403 R404 I405 Y409 I410 F411 I438 L441 I448 L578I242-L407 HydrophobicContact CD1-CB 3.7Å; I242-L407 HydrophobicContact CD1-CD1 4.26Å; I403-L407 HydrophobicContact CG2-CD1 3.95Å; I403-L407 HydrophobicContact CG2-CG 4.28Å; I403-L407 WeakPolarHBondContact O-CB 3.27Å; I403-L407 VanDerWaalsContact O-CG 3.29Å; I403-L407 WeakPolarHBondContact O-CG 3.25Å; I403-L407 PolarHBondContact O-N 2.86Å; R404-L407 PolarHBondContact O-N 2.89Å; I405-L407 VanDerWaalsContact C-N 3.33Å; I405-L407 PolarHBondContact O-N 3.44Å; L407-Y409 VanDerWaalsContact C-N 3.28Å; L407-Y409 PolarHBondContact O-N 3.07Å; L407-I410 WeakPolarHBondContact O-CB 3.47Å; L407-I410 PolarHBondContact O-N 3.31Å; L407-I410 VanDerWaalsContact O-N 3.13Å; L407-F411 HydrophobicContact CB-CE2 4.18Å; L407-F411 WeakPolarHBondContact O-CD2 3.36Å; L407-F411 WeakPolarHBondContact O-CG 3.43Å; L407-F411 PolarHBondContact O-N 2.72Å; L407-I438 HydrophobicContact CD2-CB 4.27Å; L407-I438 HydrophobicContact CD2-CG1 4.2Å; L407-I438 HydrophobicContact CD2-CG2 3.91Å; L407-L441 HydrophobicContact CD1-CD1 3.55Å; L407-L441 HydrophobicContact CD2-CD1 3.35Å; L407-L441 HydrophobicContact CG-CD1 4.06Å; L407-I448 HydrophobicContact CD2-CD1 4.44Å; L407-L578 HydrophobicContact CD1-CD2 4.02Å
408L97.2Very high94.2Very high1 Ų134 Ų341%0.00517%0.17CC..Hα-helixtrans-60.9-39.3176-69.2169000111.6I239 I242 L243 E367 L370 A371 R404 I405 F411 H412I239-L408 HydrophobicContact CG1-CD2 4.44Å; I239-L408 HydrophobicContact CG2-CD2 3.79Å; I242-L408 HydrophobicContact CD1-CD2 3.91Å; I242-L408 HydrophobicContact CD1-CG 3.95Å; I242-L408 HydrophobicContact CG1-CD2 4.21Å; I242-L408 HydrophobicContact CG1-CG 4.5Å; L243-L408 HydrophobicContact CD2-CD1 3.76Å; L243-L408 HydrophobicContact CD2-CD2 3.9Å; L243-L408 HydrophobicContact CG-CD2 4.37Å; E367-L408 HydrophobicContact CB-CD1 3.8Å; E367-L408 HydrophobicContact CG-CD1 3.56Å; L370-L408 HydrophobicContact CB-CB 3.89Å; L370-L408 HydrophobicContact CD1-CB 3.88Å; A371-L408 HydrophobicContact CB-CD2 4.33Å; R404-L408 VanDerWaalsContact O-CG 3.3Å; R404-L408 WeakPolarHBondContact O-CG 3.4Å; R404-L408 PolarHBondContact O-N 3.3Å; I405-L408 PolarHBondContact O-N 3.36Å; L408-F411 PolarHBondContact O-N 3.04Å; L408-H412 VanDerWaalsContact O-CB 3.3Å; L408-H412 WeakPolarHBondContact O-CB 3.48Å; L408-H412 PolarHBondContact O-N 2.91Å
409Y96.4Very high94.2Very high19 Ų1936.1 Ų36.18%0.07518%0.177CC..Hα-helixtrans-62.4-42174173.9-103.8000112.5L370 A384 M385 I388 I405 I406 L407 H412 K413 I417 L425L370-Y409 HydrophobicContact CD2-CD2 4.23Å; A384-Y409 HydrophobicContact CB-CD2 4Å; A384-Y409 HydrophobicContact CB-CE2 3.91Å; M385-Y409 HydrophobicContact CG-CE2 4.24Å; M385-Y409 HydrophobicContact SD-CE1 4.02Å; M385-Y409 HydrophobicContact SD-CE2 3.9Å; M385-Y409 PolarHBondContact SD-OH 3.49Å; M385-Y409 VanDerWaalsContact SD-OH 3.36Å; I388-Y409 HydrophobicContact CD1-CD1 4.08Å; I388-Y409 HydrophobicContact CD1-CD2 3.78Å; I388-Y409 HydrophobicContact CD1-CE1 4.45Å; I388-Y409 HydrophobicContact CD1-CE2 4.18Å; I388-Y409 HydrophobicContact CD1-CG 3.72Å; I405-Y409 WeakPolarHBondContact O-CB 3.39Å; I405-Y409 PolarHBondContact O-N 2.95Å; I406-Y409 WeakPolarHBondContact O-CB 3.44Å; I406-Y409 PolarHBondContact O-N 3.4Å; L407-Y409 VanDerWaalsContact C-N 3.28Å; L407-Y409 PolarHBondContact O-N 3.07Å; Y409-H412 WeakPolarHBondContact O-CB 3.26Å; Y409-H412 PolarHBondContact O-N 3.33Å; Y409-K413 VanDerWaalsContact CE2-CE 3.47Å; Y409-K413 HydrophobicContact CE2-CG 4.49Å; Y409-K413 VanDerWaalsContact CZ-CE 3.44Å; Y409-K413 WeakPolarHBondContact O-CG 3.49Å; Y409-K413 PolarHBondContact O-N 2.93Å; Y409-K413 WeakPolarHBondContact OH-CE 3.39Å; Y409-I417 HydrophobicContact CD1-CG2 4.49Å; Y409-I417 HydrophobicContact CE1-CG2 4.01Å; Y409-L425 HydrophobicContact CD1-CD1 3.86Å; Y409-L425 HydrophobicContact CE1-CD1 3.91Å
410I95Very high94.1Very high0 Ų039.8 Ų39.80%019%0.189CC..Hα-helixtrans-62.6-46.7176.3-69.7167.5000110.6I406 L407 H412 K413 I417 L422 I438 I448I406-I410 HydrophobicContact CG2-CD1 3.81Å; I406-I410 HydrophobicContact CG2-CG1 4.47Å; I406-I410 VanDerWaalsContact O-CG1 3.24Å; I406-I410 WeakPolarHBondContact O-CG1 3.48Å; I406-I410 PolarHBondContact O-N 3.13Å; L407-I410 WeakPolarHBondContact O-CB 3.47Å; L407-I410 PolarHBondContact O-N 3.31Å; L407-I410 VanDerWaalsContact O-N 3.13Å; I410-H412 VanDerWaalsContact C-N 3.34Å; I410-H412 PolarHBondContact O-N 3.17Å; I410-K413 PolarHBondContact O-N 3.04Å; I410-K413 VanDerWaalsContact O-N 3.16Å; I410-I417 HydrophobicContact CD1-CD1 4.12Å; I410-I417 HydrophobicContact CD1-CG1 4.45Å; I410-I417 HydrophobicContact CG1-CD1 3.75Å; I410-I417 HydrophobicContact CG1-CG1 4Å; I410-I417 HydrophobicContact CG1-CG2 4.33Å; I410-L422 HydrophobicContact CD1-CD1 4.06Å; I410-I438 HydrophobicContact CD1-CG2 3.75Å; I410-I448 HydrophobicContact CD1-CG2 4.22Å; I410-I448 HydrophobicContact CG2-CB 4.5Å; I410-I448 HydrophobicContact CG2-CD1 3.97Å; I410-I448 HydrophobicContact CG2-CG2 4.42Å
411F93.8Very high94Very high8 Ų842.4 Ų42.44%0.03521%0.205CC..Hα-helixtrans-66-35.8178.1-61.5-38.2000112.6P238 I239 I242 L407 L408 K413 K414 L441 C446 I448 L459P238-F411 HydrophobicContact CB-CE1 4.35Å; P238-F411 HydrophobicContact CB-CE2 3.82Å; P238-F411 HydrophobicContact CB-CZ 3.6Å; P238-F411 HydrophobicContact CG-CD1 4.35Å; P238-F411 HydrophobicContact CG-CD2 4.31Å; P238-F411 HydrophobicContact CG-CE1 3.88Å; P238-F411 HydrophobicContact CG-CE2 3.8Å; P238-F411 HydrophobicContact CG-CZ 3.58Å; I239-F411 HydrophobicContact CD1-CB 4.14Å; I239-F411 HydrophobicContact CG1-CB 4.23Å; I239-F411 HydrophobicContact CG1-CD2 3.7Å; I239-F411 HydrophobicContact CG1-CE2 4.43Å; I239-F411 HydrophobicContact CG1-CG 4.21Å; I242-F411 HydrophobicContact CD1-CD2 4.37Å; I242-F411 HydrophobicContact CD1-CE2 3.99Å; L407-F411 HydrophobicContact CB-CE2 4.18Å; L407-F411 WeakPolarHBondContact O-CD2 3.36Å; L407-F411 WeakPolarHBondContact O-CG 3.43Å; L407-F411 PolarHBondContact O-N 2.72Å; L408-F411 PolarHBondContact O-N 3.04Å; F411-K413 VanDerWaalsContact C-N 3.26Å; F411-K413 PolarHBondContact O-N 2.9Å; F411-K414 WeakPolarHBondContact O-CA 3.48Å; F411-K414 PolarHBondContact O-N 3.36Å; F411-L441 HydrophobicContact CZ-CD1 4.42Å; F411-L441 HydrophobicContact CZ-CD2 4.42Å; F411-C446 HydrophobicContact CE1-CB 4.01Å; F411-I448 HydrophobicContact CE1-CD1 3.78Å; F411-I448 HydrophobicContact CZ-CD1 4.21Å; F411-L459 HydrophobicContact CB-CD1 4.13Å; F411-L459 HydrophobicContact CD1-CD1 4.23Å; F411-L459 HydrophobicContact CG-CD1 4.25Å
412H92.2Very high93.9Very high43 Ų4341.7 Ų41.720%0.19920%0.201CC..Hα-helixtrans-59.1-35.5172.8175.578.4000112.4L370 L408 Y409 I410 K414L370-H412 HydrophobicContact CD2-CB 4.32Å; L370-H412 PolarHBondContact O-ND1 3.35Å; L408-H412 VanDerWaalsContact O-CB 3.3Å; L408-H412 WeakPolarHBondContact O-CB 3.48Å; L408-H412 PolarHBondContact O-N 2.91Å; Y409-H412 WeakPolarHBondContact O-CB 3.26Å; Y409-H412 PolarHBondContact O-N 3.33Å; I410-H412 VanDerWaalsContact C-N 3.34Å; I410-H412 PolarHBondContact O-N 3.17Å; H412-K414 PolarHBondContact O-N 3.21Å
413K89.6Confident93.8Very high91 Ų9144.4 Ų44.440%0.39622%0.219SC..THydrogen-bonded Turntrans-72-7.5175.1-65.2-59.7-177-171.30114Y409 I410 F411 K415 I417Y409-K413 VanDerWaalsContact CE2-CE 3.47Å; Y409-K413 HydrophobicContact CE2-CG 4.49Å; Y409-K413 VanDerWaalsContact CZ-CE 3.44Å; Y409-K413 WeakPolarHBondContact O-CG 3.49Å; Y409-K413 PolarHBondContact O-N 2.93Å; Y409-K413 WeakPolarHBondContact OH-CE 3.39Å; I410-K413 PolarHBondContact O-N 3.04Å; I410-K413 VanDerWaalsContact O-N 3.16Å; F411-K413 VanDerWaalsContact C-N 3.26Å; F411-K413 PolarHBondContact O-N 2.9Å; K413-K415 PolarHBondContact O-N 3.21Å; K413-I417 HydrophobicContact CB-CG2 4.25Å; K413-I417 HydrophobicContact CG-CG2 3.96Å
414K83.3Confident93.7Very high152 Ų15248.6 Ų48.666%0.66124%0.237SC*.SBendtrans62.4-38.4178-57.6-174177.9-174.50116.3F411 H412 P447F411-K414 WeakPolarHBondContact O-CA 3.48Å; F411-K414 PolarHBondContact O-N 3.36Å; H412-K414 PolarHBondContact O-N 3.21Å; K414-P447 WeakPolarHBondContact O-CG 3.18Å
415K85.1Confident93.6Very high143 Ų14348.8 Ų48.862%0.62224%0.238SC*.SBendtrans-106.114.3-177.6-61.8-173.4177.7-176.90113.2K413 A450K413-K415 PolarHBondContact O-N 3.21Å; K415-A450 WeakPolarHBondContact O-CA 3.45Å
416G89.1Confident93.6Very high8 Ų849.6 Ų49.68%0.08224%0.243CC..  trans73.8-169.1-170.400000113.3P447 I448G416-P447 VanDerWaalsContact CA-O 3.23Å; G416-P447 WeakPolarHBondContact CA-O 3.26Å; G416-P447 PolarHBondContact N-O 3.47Å; G416-I448 CarbonylContact C-O 3.54Å; G416-I448 WeakPolarHBondContact CA-O 3.45Å
417I93.4Very high93.5Very high10 Ų1055.1 Ų55.15%0.05127%0.268CS..BIsolated β-bridgetrans-127.4159.4-179.864.5175.3000111.3Y409 I410 K413 L422 L425 I448 I449 A450Y409-I417 HydrophobicContact CD1-CG2 4.49Å; Y409-I417 HydrophobicContact CE1-CG2 4.01Å; I410-I417 HydrophobicContact CD1-CD1 4.12Å; I410-I417 HydrophobicContact CD1-CG1 4.45Å; I410-I417 HydrophobicContact CG1-CD1 3.75Å; I410-I417 HydrophobicContact CG1-CG1 4Å; I410-I417 HydrophobicContact CG1-CG2 4.33Å; K413-I417 HydrophobicContact CB-CG2 4.25Å; K413-I417 HydrophobicContact CG-CG2 3.96Å; I417-L422 HydrophobicContact CD1-CB 3.72Å; I417-L422 HydrophobicContact CD1-CD1 4.1Å; I417-L422 HydrophobicContact CD1-CG 4.47Å; I417-L422 HydrophobicContact CG1-CB 4.05Å; I417-L425 HydrophobicContact CD1-CD1 3.72Å; I417-I448 PolarHBondContact N-O 3.43Å; I417-I449 WeakPolarHBondContact O-CA 3.32Å; I417-A450 PolarHBondContact O-N 2.8Å
418G93.9Very high93.3Very high31 Ų3160.4 Ų60.432%0.3229%0.293SS..  trans-65.9146.4173.900000111.8E420 N421 L422G418-E420 VanDerWaalsContact C-N 3.3Å; G418-E420 PolarHBondContact O-N 3.27Å; G418-N421 WeakPolarHBondContact O-CB 3.35Å; G418-N421 PolarHBondContact O-N 3.25Å; G418-L422 PolarHBondContact O-N 3.48Å
419E93.3Very high93.2Very high128 Ų12860.4 Ų60.460%0.59829%0.293SS*.Hα-helixtrans-55.4-43.1-177.2-67-175.5173.300112.6N421 L422 T423 I449E419-N421 VanDerWaalsContact C-N 3.29Å; E419-N421 PolarHBondContact O-N 3.19Å; E419-L422 WeakPolarHBondContact O-CB 3.28Å; E419-L422 PolarHBondContact O-N 2.94Å; E419-L422 VanDerWaalsContact O-N 3.12Å; E419-T423 PolarHBondContact O-N 3.09Å; E419-T423 PolarHBondContact O-OG1 3.03Å; E419-T423 VanDerWaalsContact O-OG1 3.08Å; E419-I449 HydrophobicContact CG-CD1 4.12Å; E419-I449 HydrophobicContact CG-CG1 4.42Å; E419-I449 HydrophobicContact CG-CG2 3.6Å
420E94.3Very high93.1Very high131 Ų13165.1 Ų65.161%0.61232%0.319SS*.Hα-helixtrans-59.6-40.1178-167.5-166.9157.900112.2G418 T423 K424G418-E420 VanDerWaalsContact C-N 3.3Å; G418-E420 PolarHBondContact O-N 3.27Å; E420-T423 PolarHBondContact O-N 3.07Å; E420-K424 WeakPolarHBondContact O-CG 3.39Å; E420-K424 PolarHBondContact O-N 3.19Å; E420-K424 VanDerWaalsContact OE1-CE 3.25Å; E420-K424 WeakPolarHBondContact OE1-CE 3.14Å; E420-K424 IonicContact OE1-NZ 3.99Å; E420-K424 PolarHBondContact OE1-NZ 3.15Å
421N94.1Very high93.2Very high86 Ų8665.2 Ų65.246%0.4632%0.32SS..Hα-helixtrans-68.5-39.8177.1-72.2-10.9000111.1G418 E419 K424 L425G418-N421 WeakPolarHBondContact O-CB 3.35Å; G418-N421 PolarHBondContact O-N 3.25Å; E419-N421 VanDerWaalsContact C-N 3.29Å; E419-N421 PolarHBondContact O-N 3.19Å; N421-K424 PolarHBondContact O-N 2.94Å; N421-L425 WeakPolarHBondContact O-CG 3.38Å; N421-L425 PolarHBondContact O-N 3.35Å
422L95.4Very high93.3Very high8 Ų869.1 Ų69.14%0.04234%0.338CS..Hα-helixtrans-61.9-47175.2177.756.6000111.2I406 I410 I417 G418 E419 K424 L425 I426 I438 I448I406-L422 HydrophobicContact CG2-CD1 4.25Å; I410-L422 HydrophobicContact CD1-CD1 4.06Å; I417-L422 HydrophobicContact CD1-CB 3.72Å; I417-L422 HydrophobicContact CD1-CD1 4.1Å; I417-L422 HydrophobicContact CD1-CG 4.47Å; I417-L422 HydrophobicContact CG1-CB 4.05Å; G418-L422 PolarHBondContact O-N 3.48Å; E419-L422 WeakPolarHBondContact O-CB 3.28Å; E419-L422 PolarHBondContact O-N 2.94Å; E419-L422 VanDerWaalsContact O-N 3.12Å; L422-K424 VanDerWaalsContact C-N 3.3Å; L422-K424 PolarHBondContact O-N 3.47Å; L422-L425 PolarHBondContact O-N 2.88Å; L422-I426 HydrophobicContact CD1-CD1 3.82Å; L422-I426 HydrophobicContact CD1-CG1 4.11Å; L422-I426 HydrophobicContact CG-CD1 3.79Å; L422-I426 HydrophobicContact CG-CG1 4.5Å; L422-I426 WeakPolarHBondContact O-CG1 3.49Å; L422-I426 PolarHBondContact O-N 3.13Å; L422-I438 HydrophobicContact CD1-CD1 4.43Å; L422-I438 HydrophobicContact CD1-CG2 3.89Å; L422-I438 HydrophobicContact CD2-CG2 4.34Å; L422-I448 HydrophobicContact CD2-CG2 4.44Å
423T95.7Very high93.3Very high70 Ų7071.3 Ų71.343%0.42936%0.364SS..Hα-helixtrans-58-43176.8-55.20000111.5E419 E420 I426 Q427E419-T423 PolarHBondContact O-N 3.09Å; E419-T423 PolarHBondContact O-OG1 3.03Å; E419-T423 VanDerWaalsContact O-OG1 3.08Å; E420-T423 PolarHBondContact O-N 3.07Å; T423-I426 PolarHBondContact O-N 2.97Å; T423-Q427 WeakPolarHBondContact O-CB 3.18Å; T423-Q427 VanDerWaalsContact O-CG 3.28Å; T423-Q427 WeakPolarHBondContact O-CG 3.39Å; T423-Q427 PolarHBondContact O-N 3.27Å
424K95.4Very high93.6Very high88 Ų8868.1 Ų68.138%0.38335%0.351SS..Hα-helixtrans-62-44.9175.7-72.9171.6-174.4167.70112.1E420 N421 L422 I426 Q427 H428E420-K424 WeakPolarHBondContact O-CG 3.39Å; E420-K424 PolarHBondContact O-N 3.19Å; E420-K424 VanDerWaalsContact OE1-CE 3.25Å; E420-K424 WeakPolarHBondContact OE1-CE 3.14Å; E420-K424 IonicContact OE1-NZ 3.99Å; E420-K424 PolarHBondContact OE1-NZ 3.15Å; N421-K424 PolarHBondContact O-N 2.94Å; L422-K424 VanDerWaalsContact C-N 3.3Å; L422-K424 PolarHBondContact O-N 3.47Å; K424-I426 PolarHBondContact O-N 3.3Å; K424-Q427 PolarHBondContact O-N 3.33Å; K424-H428 WeakPolarHBondContact O-CB 3.41Å; K424-H428 PolarHBondContact O-CD2 3.14Å; K424-H428 PolarHBondContact O-N 2.89Å
425L96.1Very high94.1Very high7 Ų762.9 Ų62.94%0.03733%0.334CS..Hα-helixtrans-60.6-45.2177.1-70.8172.3000111.6M385 I388 L392 I406 Y409 I417 N421 L422 Q427 H428 A429M385-L425 HydrophobicContact CE-CD2 3.96Å; M385-L425 HydrophobicContact SD-CD2 4.31Å; I388-L425 HydrophobicContact CD1-CD2 3.99Å; L392-L425 HydrophobicContact CD1-CD2 3.65Å; I406-L425 HydrophobicContact CD1-CB 4.42Å; I406-L425 HydrophobicContact CG1-CB 4.45Å; I406-L425 HydrophobicContact CG2-CD1 4.5Å; Y409-L425 HydrophobicContact CD1-CD1 3.86Å; Y409-L425 HydrophobicContact CE1-CD1 3.91Å; I417-L425 HydrophobicContact CD1-CD1 3.72Å; N421-L425 WeakPolarHBondContact O-CG 3.38Å; N421-L425 PolarHBondContact O-N 3.35Å; L422-L425 PolarHBondContact O-N 2.88Å; L425-Q427 VanDerWaalsContact C-N 3.33Å; L425-Q427 PolarHBondContact O-N 3.38Å; L425-H428 PolarHBondContact O-N 3.34Å; L425-A429 VanDerWaalsContact O-CB 3.24Å; L425-A429 WeakPolarHBondContact O-CB 3.34Å; L425-A429 PolarHBondContact O-N 2.87Å
426I96.6Very high94.5Very high18 Ų1857.6 Ų57.69%0.09231%0.313CS..Hα-helixtrans-60.8-42.8177.5-70166.4000111L422 T423 K424 N430 V431 Q432 I438L422-I426 HydrophobicContact CD1-CD1 3.82Å; L422-I426 HydrophobicContact CD1-CG1 4.11Å; L422-I426 HydrophobicContact CG-CD1 3.79Å; L422-I426 HydrophobicContact CG-CG1 4.5Å; L422-I426 WeakPolarHBondContact O-CG1 3.49Å; L422-I426 PolarHBondContact O-N 3.13Å; T423-I426 PolarHBondContact O-N 2.97Å; K424-I426 PolarHBondContact O-N 3.3Å; I426-N430 PolarHBondContact O-N 2.95Å; I426-N430 VanDerWaalsContact O-N 3.1Å; I426-V431 HydrophobicContact CB-CG2 4.49Å; I426-V431 HydrophobicContact CG2-CG2 4.19Å; I426-V431 PolarHBondContact O-N 3.49Å; I426-Q432 HydrophobicContact CG2-CB 4.42Å; I426-Q432 HydrophobicContact CG2-CG 4.09Å; I426-I438 HydrophobicContact CD1-CD1 4.29Å; I426-I438 HydrophobicContact CG1-CD1 4Å
427Q95.1Very high94.9Very high115 Ų11557.2 Ų57.254%0.53731%0.309SS..Hα-helixtrans-66.3-46.4178-74.51761.400112T423 K424 L425 A429 N430T423-Q427 WeakPolarHBondContact O-CB 3.18Å; T423-Q427 VanDerWaalsContact O-CG 3.28Å; T423-Q427 WeakPolarHBondContact O-CG 3.39Å; T423-Q427 PolarHBondContact O-N 3.27Å; K424-Q427 PolarHBondContact O-N 3.33Å; L425-Q427 VanDerWaalsContact C-N 3.33Å; L425-Q427 PolarHBondContact O-N 3.38Å; Q427-A429 VanDerWaalsContact C-N 3.29Å; Q427-A429 PolarHBondContact O-N 2.74Å; Q427-N430 PolarHBondContact O-N 3.04Å; Q427-N430 VanDerWaalsContact O-N 3.17Å
428H93.3Very high95Very high111 Ų11156.7 Ų56.751%0.51431%0.306SS..Hα-helixtrans-64-34.7177.9-71.8-48.8000112.6L393 K424 L425 N430L393-H428 HydrophobicContact CD2-CB 4.25Å; K424-H428 WeakPolarHBondContact O-CB 3.41Å; K424-H428 PolarHBondContact O-CD2 3.14Å; K424-H428 PolarHBondContact O-N 2.89Å; L425-H428 PolarHBondContact O-N 3.34Å; H428-N430 VanDerWaalsContact C-N 3.31Å
429A95.4Very high95Very high1 Ų157.4 Ų57.41%0.00830%0.304CS..Hα-helixtrans-77.6-15.4177.100000113.8L392 K402 I406 L425 Q427 V431L392-A429 HydrophobicContact CB-CB 4.16Å; L392-A429 HydrophobicContact CD2-CB 4.03Å; L392-A429 HydrophobicContact CG-CB 4.47Å; K402-A429 HydrophobicContact CB-CB 4.21Å; K402-A429 HydrophobicContact CD-CB 4.04Å; K402-A429 VanDerWaalsContact CD-O 3.29Å; K402-A429 WeakPolarHBondContact CD-O 3.43Å; K402-A429 PolarHBondContact NZ-O 3.05Å; I406-A429 HydrophobicContact CD1-CB 3.9Å; L425-A429 VanDerWaalsContact O-CB 3.24Å; L425-A429 WeakPolarHBondContact O-CB 3.34Å; L425-A429 PolarHBondContact O-N 2.87Å; Q427-A429 VanDerWaalsContact C-N 3.29Å; Q427-A429 PolarHBondContact O-N 2.74Å; A429-V431 HydrophobicContact CB-CG1 4.04Å; A429-V431 HydrophobicContact CB-CG2 3.93Å
430N95.8Very high95.1Very high118 Ų11851.5 Ų51.563%0.63128%0.277SS*.THydrogen-bonded Turntrans57.446.1-173-166.447000113.2I426 Q427 H428 Q432I426-N430 PolarHBondContact O-N 2.95Å; I426-N430 VanDerWaalsContact O-N 3.1Å; Q427-N430 PolarHBondContact O-N 3.04Å; Q427-N430 VanDerWaalsContact O-N 3.17Å; H428-N430 VanDerWaalsContact C-N 3.31Å; N430-Q432 PolarHBondContact OD1-OE1 3.27Å
431V96.2Very high95.2Very high3 Ų345.3 Ų45.32%0.01825%0.248CC..  trans-118.724.1-176.3-58.10000113.9P399 K402 I403 I406 I426 A429 A433 N434 S435P399-V431 HydrophobicContact CB-CG1 4Å; K402-V431 HydrophobicContact CB-CG1 4.25Å; K402-V431 HydrophobicContact CD-CG1 4.45Å; I403-V431 HydrophobicContact CD1-CB 4.36Å; I403-V431 HydrophobicContact CG1-CB 4.22Å; I403-V431 HydrophobicContact CG1-CG1 4.36Å; I403-V431 HydrophobicContact CG1-CG2 4.14Å; I406-V431 HydrophobicContact CD1-CG2 4.3Å; I426-V431 HydrophobicContact CB-CG2 4.49Å; I426-V431 HydrophobicContact CG2-CG2 4.19Å; I426-V431 PolarHBondContact O-N 3.49Å; A429-V431 HydrophobicContact CB-CG1 4.04Å; A429-V431 HydrophobicContact CB-CG2 3.93Å; V431-A433 PolarHBondContact O-N 3.19Å; V431-A433 VanDerWaalsContact O-N 3.16Å; V431-N434 CarbonylContact O-C 3.29Å; V431-N434 PolarHBondContact O-N 3.13Å; V431-S435 PolarHBondContact O-N 2.91Å
432Q95.4Very high95.1Very high89 Ų8943.3 Ų43.342%0.41624%0.236SC..G310 helixtrans-52.9-40.2-176.9-59.884.8-21.700112.2I426 N430 N434 S435I426-Q432 HydrophobicContact CG2-CB 4.42Å; I426-Q432 HydrophobicContact CG2-CG 4.09Å; N430-Q432 PolarHBondContact OD1-OE1 3.27Å; Q432-N434 PolarHBondContact O-N 3.23Å; Q432-S435 WeakPolarHBondContact O-CB 3.26Å; Q432-S435 PolarHBondContact O-N 3.09Å; Q432-S435 PolarHBondContact O-OG 2.95Å
433A93.4Very high95Very high90 Ų9046.5 Ų46.574%0.74425%0.25SS*.G310 helixtrans-63.7-21.1-179.100000114.4V431V431-A433 PolarHBondContact O-N 3.19Å; V431-A433 VanDerWaalsContact O-N 3.16Å
434N94.4Very high94.8Very high23 Ų2343.5 Ų43.512%0.12323%0.232CC..G310 helixtrans-120.919.2-179.2-63.6-38.5000111.3I403 V431 Q432 N436 I437 K582I403-N434 HydrophobicContact CD1-CB 3.69Å; V431-N434 CarbonylContact O-C 3.29Å; V431-N434 PolarHBondContact O-N 3.13Å; Q432-N434 PolarHBondContact O-N 3.23Å; N434-N436 PolarHBondContact O-N 2.87Å; N434-I437 HydrophobicContact CB-CD1 3.87Å; N434-I437 HydrophobicContact CB-CG1 4.41Å; N434-I437 WeakPolarHBondContact O-CB 3.28Å; N434-I437 WeakPolarHBondContact O-CG1 3.28Å; N434-I437 PolarHBondContact O-N 2.91Å; N434-K582 WeakPolarHBondContact OD1-CE 3.44Å; N434-K582 PolarHBondContact OD1-NZ 3.24Å
435S94Very high94.6Very high42 Ų4240.2 Ų40.229%0.29422%0.223SC..THydrogen-bonded Turntrans-64.5-27.5-17753.70000113.4V431 Q432 I437 I438V431-S435 PolarHBondContact O-N 2.91Å; Q432-S435 WeakPolarHBondContact O-CB 3.26Å; Q432-S435 PolarHBondContact O-N 3.09Å; Q432-S435 PolarHBondContact O-OG 2.95Å; S435-I437 PolarHBondContact O-N 3.06Å; S435-I438 WeakPolarHBondContact O-CB 3.5Å; S435-I438 PolarHBondContact O-N 3.18Å; S435-I438 VanDerWaalsContact O-N 3.08Å
436N94.6Very high94.4Very high32 Ų3240 Ų4017%0.17122%0.221CC..Hα-helixtrans-61.7-28.4177.671.1-35.7000112.7N434 I438 T439 N440 K582 D585N434-N436 PolarHBondContact O-N 2.87Å; N436-I438 PolarHBondContact O-N 3.42Å; N436-T439 WeakPolarHBondContact CA-OG1 3.35Å; N436-T439 PolarHBondContact O-N 2.84Å; N436-T439 PolarHBondContact O-OG1 2.96Å; N436-T439 VanDerWaalsContact O-OG1 3.06Å; N436-N440 WeakPolarHBondContact O-CB 3.14Å; N436-N440 PolarHBondContact O-N 3.39Å; N436-N440 PolarHBondContact O-ND2 2.96Å; N436-N440 PolarHBondContact O-OD1 2.76Å; N436-K582 PolarHBondContact ND2-O 3.47Å; N436-D585 PolarHBondContact ND2-OD1 2.98Å; N436-D585 VanDerWaalsContact ND2-OD1 3.08Å
437I96.8Very high94.2Very high0 Ų039.2 Ų39.20%022%0.218CC..Hα-helixtrans-54.2-41.3173.8-59.3-179.1000110.9I403 N434 S435 L578 L581 K582I403-I437 HydrophobicContact CD1-CD1 4.12Å; I403-I437 HydrophobicContact CG2-CG2 4.08Å; N434-I437 HydrophobicContact CB-CD1 3.87Å; N434-I437 HydrophobicContact CB-CG1 4.41Å; N434-I437 WeakPolarHBondContact O-CB 3.28Å; N434-I437 WeakPolarHBondContact O-CG1 3.28Å; N434-I437 PolarHBondContact O-N 2.91Å; S435-I437 PolarHBondContact O-N 3.06Å; I437-L578 HydrophobicContact CD1-CB 4.44Å; I437-L578 HydrophobicContact CG2-CB 4.22Å; I437-L578 HydrophobicContact CG2-CD2 3.67Å; I437-L581 HydrophobicContact CG2-CB 4.05Å; I437-L581 HydrophobicContact CG2-CD1 4.31Å; I437-K582 HydrophobicContact CD1-CB 3.97Å; I437-K582 HydrophobicContact CD1-CD 4.24Å; I437-K582 HydrophobicContact CD1-CG 4.27Å; I437-K582 HydrophobicContact CG1-CB 3.67Å; I437-K582 HydrophobicContact CG1-CG 4.04Å
438I96.7Very high94.2Very high0 Ų033.8 Ų33.80%019%0.192CC..Hα-helixtrans-71-44.9-177.5-61.5162.6000110.8I403 I406 L407 I410 L422 I426 S435 N436 I448I403-I438 HydrophobicContact CG2-CG1 3.98Å; I406-I438 HydrophobicContact CB-CD1 4.48Å; I406-I438 HydrophobicContact CD1-CD1 4.41Å; I406-I438 HydrophobicContact CG2-CD1 3.9Å; L407-I438 HydrophobicContact CD2-CB 4.27Å; L407-I438 HydrophobicContact CD2-CG1 4.2Å; L407-I438 HydrophobicContact CD2-CG2 3.91Å; I410-I438 HydrophobicContact CD1-CG2 3.75Å; L422-I438 HydrophobicContact CD1-CD1 4.43Å; L422-I438 HydrophobicContact CD1-CG2 3.89Å; L422-I438 HydrophobicContact CD2-CG2 4.34Å; I426-I438 HydrophobicContact CD1-CD1 4.29Å; I426-I438 HydrophobicContact CG1-CD1 4Å; S435-I438 WeakPolarHBondContact O-CB 3.5Å; S435-I438 PolarHBondContact O-N 3.18Å; S435-I438 VanDerWaalsContact O-N 3.08Å; N436-I438 PolarHBondContact O-N 3.42Å; I438-I448 HydrophobicContact CG2-CG2 3.94Å
439T94.1Very high94.1Very high46 Ų4629.5 Ų29.528%0.28217%0.173SC..Hα-helixtrans-71.9-34.7-178.951.50000112.1N436 L441 Q442N436-T439 WeakPolarHBondContact CA-OG1 3.35Å; N436-T439 PolarHBondContact O-N 2.84Å; N436-T439 PolarHBondContact O-OG1 2.96Å; N436-T439 VanDerWaalsContact O-OG1 3.06Å; T439-L441 PolarHBondContact O-N 3.44Å; T439-L441 VanDerWaalsContact O-N 3.17Å; T439-Q442 VanDerWaalsContact O-CB 3.25Å; T439-Q442 WeakPolarHBondContact O-CB 3.26Å; T439-Q442 VanDerWaalsContact O-CG 3.26Å; T439-Q442 WeakPolarHBondContact O-CG 3.35Å; T439-Q442 PolarHBondContact O-N 3.07Å; T439-Q442 PolarHBondContact O-OE1 3.46Å
440N95.4Very high93.8Very high4 Ų431.8 Ų31.82%0.02119%0.192CC..Hα-helixtrans-65.2-21.9-177.1-73.5-3.4000113.3N436 Q442 H443 L581 L584 D585N436-N440 WeakPolarHBondContact O-CB 3.14Å; N436-N440 PolarHBondContact O-N 3.39Å; N436-N440 PolarHBondContact O-ND2 2.96Å; N436-N440 PolarHBondContact O-OD1 2.76Å; N440-Q442 PolarHBondContact O-N 2.74Å; N440-Q442 VanDerWaalsContact O-N 3.14Å; N440-H443 WeakPolarHBondContact O-CB 3.46Å; N440-H443 PolarHBondContact O-CD2 2.79Å; N440-H443 PolarHBondContact O-N 3.15Å; N440-L581 WeakPolarHBondContact CB-O 3.23Å; N440-L581 PolarHBondContact ND2-O 3.46Å; N440-L584 HydrophobicContact CB-CB 4.16Å; N440-L584 HydrophobicContact CB-CD2 4.24Å; N440-D585 VanDerWaalsContact ND2-CG 3.31Å; N440-D585 PolarHBondContact ND2-OD1 3.16Å
441L94.6Very high93.1Very high1 Ų129.9 Ų29.91%0.00520%0.201CC..G310 helixtrans-60.3-20170.2-88.4151000113.6P238 L407 F411 T439 H443 L444 C446 I448 F577 L581P238-L441 HydrophobicContact CB-CD2 4.16Å; L407-L441 HydrophobicContact CD1-CD1 3.55Å; L407-L441 HydrophobicContact CD2-CD1 3.35Å; L407-L441 HydrophobicContact CG-CD1 4.06Å; F411-L441 HydrophobicContact CZ-CD1 4.42Å; F411-L441 HydrophobicContact CZ-CD2 4.42Å; T439-L441 PolarHBondContact O-N 3.44Å; T439-L441 VanDerWaalsContact O-N 3.17Å; L441-H443 PolarHBondContact O-N 3.29Å; L441-L444 HydrophobicContact CD2-CD2 4.21Å; L441-L444 PolarHBondContact O-N 2.86Å; L441-C446 HydrophobicContact CB-CB 4.39Å; L441-C446 VanDerWaalsContact O-CB 3.27Å; L441-C446 WeakPolarHBondContact O-CB 3.29Å; L441-C446 PolarHBondContact O-N 3.19Å; L441-I448 HydrophobicContact CB-CD1 3.84Å; L441-I448 HydrophobicContact CB-CG1 3.99Å; L441-F577 HydrophobicContact CD2-CZ 4.44Å; L441-L581 HydrophobicContact CD1-CD1 3.86Å; L441-L581 HydrophobicContact CD2-CD1 4.08Å; L441-L581 HydrophobicContact CD2-CD2 4.33Å; L441-L581 HydrophobicContact CG-CD1 3.72Å; L441-L581 HydrophobicContact CG-CD2 4.07Å
442Q92.8Very high92.6Very high43 Ų4330.8 Ų30.820%0.20121%0.208CC..G310 helixtrans-62-29.9171.4-64.8-179.1-77.700112.1T439 N440 L444 G445 I448 N454T439-Q442 VanDerWaalsContact O-CB 3.25Å; T439-Q442 WeakPolarHBondContact O-CB 3.26Å; T439-Q442 VanDerWaalsContact O-CG 3.26Å; T439-Q442 WeakPolarHBondContact O-CG 3.35Å; T439-Q442 PolarHBondContact O-N 3.07Å; T439-Q442 PolarHBondContact O-OE1 3.46Å; N440-Q442 PolarHBondContact O-N 2.74Å; N440-Q442 VanDerWaalsContact O-N 3.14Å; Q442-L444 VanDerWaalsContact C-N 3.27Å; Q442-L444 PolarHBondContact O-N 3.25Å; Q442-G445 WeakPolarHBondContact O-CA 3.43Å; Q442-G445 PolarHBondContact O-N 3.31Å; Q442-I448 HydrophobicContact CG-CB 3.57Å; Q442-I448 HydrophobicContact CG-CG1 3.6Å; Q442-I448 HydrophobicContact CG-CG2 4.49Å; Q442-N454 PolarHBondContact O-ND2 2.86Å
443H92.4Very high91.9Very high76 Ų7632.9 Ų32.935%0.35223%0.229SC..G310 helixtrans-70.2-25.1177.4-62.3-57.3000113Y156 N440 L441 G445 L584Y156-H443 WeakPolarHBondContact O-CB 3.24Å; N440-H443 WeakPolarHBondContact O-CB 3.46Å; N440-H443 PolarHBondContact O-CD2 2.79Å; N440-H443 PolarHBondContact O-N 3.15Å; L441-H443 PolarHBondContact O-N 3.29Å; H443-G445 PolarHBondContact O-N 3.29Å; H443-L584 HydrophobicContact CB-CD2 3.73Å
444L92.8Very high91.4Very high7 Ų729.7 Ų29.74%0.03720%0.2CC..G310 helixtrans-77.54.4169.5-77.166.5000111.9Y156 R234 G235 L441 Q442 F577 L581 L584Y156-L444 HydrophobicContact CD1-CB 4.26Å; Y156-L444 HydrophobicContact CD1-CD1 4.07Å; Y156-L444 HydrophobicContact CD1-CG 3.79Å; Y156-L444 HydrophobicContact CD2-CD1 4.06Å; Y156-L444 HydrophobicContact CD2-CG 4.05Å; Y156-L444 HydrophobicContact CE1-CB 4.33Å; Y156-L444 HydrophobicContact CE1-CG 3.94Å; Y156-L444 HydrophobicContact CE2-CG 4.24Å; Y156-L444 HydrophobicContact CG-CD1 3.73Å; Y156-L444 HydrophobicContact CG-CG 3.86Å; R234-L444 HydrophobicContact CB-CD2 4.12Å; R234-L444 HydrophobicContact CG-CD2 3.88Å; G235-L444 VanDerWaalsContact CA-O 3.27Å; G235-L444 WeakPolarHBondContact CA-O 3.47Å; L441-L444 HydrophobicContact CD2-CD2 4.21Å; L441-L444 PolarHBondContact O-N 2.86Å; Q442-L444 VanDerWaalsContact C-N 3.27Å; Q442-L444 PolarHBondContact O-N 3.25Å; L444-F577 HydrophobicContact CD2-CE2 4.27Å; L444-F577 HydrophobicContact CD2-CZ 4.01Å; L444-L581 HydrophobicContact CD1-CD2 3.81Å; L444-L581 HydrophobicContact CD2-CD2 4.19Å; L444-L584 HydrophobicContact CD1-CD2 3.76Å
445G90.8Very high90.5Very high19 Ų1929.4 Ų29.420%0.19620%0.201CC..THydrogen-bonded Turntrans83.29.5-178.300000114.5Q442 H443 K457Q442-G445 WeakPolarHBondContact O-CA 3.43Å; Q442-G445 PolarHBondContact O-N 3.31Å; H443-G445 PolarHBondContact O-N 3.29Å; G445-K457 WeakPolarHBondContact O-CD 3.43Å
446C92.6Very high89.3Confident1 Ų130.9 Ų30.91%0.00722%0.222CC..  trans-78.4145.5-176.9-60.70000112.8F411 L441 I448 N454F411-C446 HydrophobicContact CE1-CB 4.01Å; L441-C446 HydrophobicContact CB-CB 4.39Å; L441-C446 VanDerWaalsContact O-CB 3.27Å; L441-C446 WeakPolarHBondContact O-CB 3.29Å; L441-C446 PolarHBondContact O-N 3.19Å; C446-I448 HydrophobicContact CB-CD1 4.26Å; C446-I448 HydrophobicContact CB-CG1 4.48Å; C446-I448 PolarHBondContact O-N 3.2Å; C446-I448 VanDerWaalsContact O-N 3.13Å; C446-N454 WeakPolarHBondContact O-CB 3.37Å
447P91.9Very high88.5Confident3 Ų334.7 Ų34.72%0.01924%0.237CC..  trans-80.987.7177.332.6-35000111.7K414 G416K414-P447 WeakPolarHBondContact O-CG 3.18Å; G416-P447 VanDerWaalsContact CA-O 3.23Å; G416-P447 WeakPolarHBondContact CA-O 3.26Å; G416-P447 PolarHBondContact N-O 3.47Å
448I94.1Very high87.5Confident0 Ų039.9 Ų39.90%027%0.27CS..  trans-90.9-53.6178.9-54.9-58.1000112.4L407 I410 F411 G416 I417 L422 I438 L441 Q442 C446L407-I448 HydrophobicContact CD2-CD1 4.44Å; I410-I448 HydrophobicContact CD1-CG2 4.22Å; I410-I448 HydrophobicContact CG2-CB 4.5Å; I410-I448 HydrophobicContact CG2-CD1 3.97Å; I410-I448 HydrophobicContact CG2-CG2 4.42Å; F411-I448 HydrophobicContact CE1-CD1 3.78Å; F411-I448 HydrophobicContact CZ-CD1 4.21Å; G416-I448 CarbonylContact C-O 3.54Å; G416-I448 WeakPolarHBondContact CA-O 3.45Å; I417-I448 PolarHBondContact N-O 3.43Å; L422-I448 HydrophobicContact CD2-CG2 4.44Å; I438-I448 HydrophobicContact CG2-CG2 3.94Å; L441-I448 HydrophobicContact CB-CD1 3.84Å; L441-I448 HydrophobicContact CB-CG1 3.99Å; Q442-I448 HydrophobicContact CG-CB 3.57Å; Q442-I448 HydrophobicContact CG-CG1 3.6Å; Q442-I448 HydrophobicContact CG-CG2 4.49Å; C446-I448 HydrophobicContact CB-CD1 4.26Å; C446-I448 HydrophobicContact CB-CG1 4.48Å; C446-I448 PolarHBondContact O-N 3.2Å; C446-I448 VanDerWaalsContact O-N 3.13Å
449I92.4Very high86.8Confident21 Ų2142.2 Ų42.211%0.10828%0.282CS..BIsolated β-bridgetrans-101.3128.1-178.1-60.8172.2000109.9I417 E419 G451 A452I417-I449 WeakPolarHBondContact O-CA 3.32Å; E419-I449 HydrophobicContact CG-CD1 4.12Å; E419-I449 HydrophobicContact CG-CG1 4.42Å; E419-I449 HydrophobicContact CG-CG2 3.6Å; I449-G451 PolarHBondContact O-N 3.14Å; I449-A452 HydrophobicContact CB-CB 4.01Å; I449-A452 HydrophobicContact CG2-CB 4.34Å; I449-A452 VanDerWaalsContact O-CB 3.28Å; I449-A452 WeakPolarHBondContact O-CB 3.48Å; I449-A452 PolarHBondContact O-N 2.96Å
450A88.3Confident86.4Confident49 Ų4941.5 Ų41.541%0.40528%0.278SS..THydrogen-bonded Turntrans-66.1130175.900000110.8K415 I417 A452K415-A450 WeakPolarHBondContact O-CA 3.45Å; I417-A450 PolarHBondContact O-N 2.8Å; A450-A452 VanDerWaalsContact C-N 3.31Å
451G81.4Confident85.6Confident79 Ų7950.5 Ų50.581%0.81432%0.32SS*.THydrogen-bonded Turntrans85.9-7-176.600000115I449I449-G451 PolarHBondContact O-N 3.14Å
452A84.8Confident85.1Confident22 Ų2253.7 Ų53.718%0.18233%0.334CS..SBendtrans-71.5166.1170.700000111.6I449 A450 N454 A455I449-A452 HydrophobicContact CB-CB 4.01Å; I449-A452 HydrophobicContact CG2-CB 4.34Å; I449-A452 VanDerWaalsContact O-CB 3.28Å; I449-A452 WeakPolarHBondContact O-CB 3.48Å; I449-A452 PolarHBondContact O-N 2.96Å; A450-A452 VanDerWaalsContact C-N 3.31Å; A452-N454 PolarHBondContact O-N 3.21Å; A452-A455 VanDerWaalsContact O-CB 3.24Å; A452-A455 WeakPolarHBondContact O-CB 3.41Å; A452-A455 PolarHBondContact O-N 2.88Å
453P81Confident84.6Confident132 Ų13256.7 Ų56.786%0.85735%0.346SS*.G310 helixtrans-53.6-32.2-177-28.435.7000114.6
454N83.2Confident83.7Confident24 Ų2460.4 Ų60.413%0.12836%0.363CS..G310 helixtrans-85.1-7.3179.2-65.9-30.5000114.3Q442 C446 A452 G456 K457Q442-N454 PolarHBondContact O-ND2 2.86Å; C446-N454 WeakPolarHBondContact O-CB 3.37Å; A452-N454 PolarHBondContact O-N 3.21Å; N454-G456 PolarHBondContact O-N 2.82Å; N454-G456 VanDerWaalsContact O-N 3.07Å; N454-K457 HydrophobicContact CB-CD 4.41Å; N454-K457 WeakPolarHBondContact O-CB 3.45Å; N454-K457 PolarHBondContact O-N 2.84Å; N454-K457 PolarHBondContact OD1-NZ 3.43Å; N454-K457 VanDerWaalsContact OD1-NZ 3.11Å
455A75.6Confident83.1Confident16 Ų1662 Ų6213%0.13237%0.371CS..G310 helixtrans-63.5-19.1-174.400000114A452A452-A455 VanDerWaalsContact O-CB 3.24Å; A452-A455 WeakPolarHBondContact O-CB 3.41Å; A452-A455 PolarHBondContact O-N 2.88Å
456G68.6Low82Confident73 Ų7369.5 Ų69.575%0.75340%0.398SS*.G310 helixtrans-84.8-11.3173.400000114.7N454N454-G456 PolarHBondContact O-N 2.82Å; N454-G456 VanDerWaalsContact O-N 3.07Å
457K77.8Confident80.5Confident112 Ų11276.7 Ų76.749%0.48743%0.432SS..PPolyproline II helixtrans-81.7123.3177.4-66.4178.1177.4169.20109.1G445 N454G445-K457 WeakPolarHBondContact O-CD 3.43Å; N454-K457 HydrophobicContact CB-CD 4.41Å; N454-K457 WeakPolarHBondContact O-CB 3.45Å; N454-K457 PolarHBondContact O-N 2.84Å; N454-K457 PolarHBondContact OD1-NZ 3.43Å; N454-K457 VanDerWaalsContact OD1-NZ 3.11Å
458T75.6Confident79.1Confident110 Ų11079.1 Ų79.168%0.67545%0.448SS*.PPolyproline II helixtrans-97.9138.6173.352.30000110
459L83.6Confident78.4Confident48 Ų4885 Ų8525%0.25148%0.484SS..PPolyproline II helixtrans-59151.8167.6-64.2177.8000110.1P238 I239 F411P238-L459 HydrophobicContact CG-CD1 4.3Å; P238-L459 HydrophobicContact CG-CD2 3.88Å; I239-L459 HydrophobicContact CD1-CD1 3.93Å; F411-L459 HydrophobicContact CB-CD1 4.13Å; F411-L459 HydrophobicContact CD1-CD1 4.23Å; F411-L459 HydrophobicContact CG-CD1 4.25Å
460P84.4Confident78.3Confident32 Ų3287.1 Ų87.121%0.20849%0.491CS..PPolyproline II helixtrans-55.7144.1-178.9-21.831.3000112.6F236 T478F236-P460 HydrophobicContact CD2-CG 3.64Å; F236-P460 HydrophobicContact CE2-CB 4.05Å; F236-P460 HydrophobicContact CE2-CG 3.33Å; F236-P460 HydrophobicContact CG-CG 4.45Å; F236-P460 HydrophobicContact CZ-CB 4.38Å; F236-P460 HydrophobicContact CZ-CG 3.92Å; F236-P460 VanDerWaalsContact O-CD 3.29Å; F236-P460 WeakPolarHBondContact O-CD 3.41Å; P460-T478 HydrophobicContact CB-CG2 3.86Å; P460-T478 HydrophobicContact CG-CG2 4.15Å
461E79.5Confident78.4Confident193 Ų19391.3 Ų91.390%0.90250%0.503SS*.PPolyproline II helixtrans-68.8136.7171-68.1-173.4169.900110.1
462K82.6Confident78.9Confident68 Ų6889.7 Ų89.730%0.29648%0.475SS..PPolyproline II helixtrans-99.4145.5-178.4-74.1-17449.9168.70111.8W475 T476K462-W475 HydrophobicContact CD-CE3 4.4Å; K462-W475 HydrophobicContact CD-CH2 3.42Å; K462-W475 VanDerWaalsContact CD-CH2 3.42Å; K462-W475 HydrophobicContact CD-CZ2 4.12Å; K462-W475 HydrophobicContact CD-CZ3 3.59Å; K462-W475 VanDerWaalsContact NZ-CH2 3.33Å; K462-T476 WeakPolarHBondContact CE-O 2.98Å; K462-T476 PolarHBondContact NZ-O 3.25Å
463K82.2Confident79.4Confident106 Ų10689.9 Ų89.946%0.46148%0.475SS..PPolyproline II helixtrans-74.2139.7168.1-172.9176.4166.5-166.50109.6H465 D481 E484K463-H465 PolarHBondContact O-CD2 2.89Å; K463-H465 PolarHBondContact O-N 3.14Å; K463-D481 WeakPolarHBondContact CB-OD2 3.42Å; K463-D481 PolarHBondContact N-OD2 3.44Å; K463-E484 IonicContact NZ-OE2 2.73Å; K463-E484 PolarHBondContact NZ-OE2 2.89Å
464E75.6Confident80Confident153 Ų15385.1 Ų85.172%0.71544%0.44SS*.PPolyproline II helixtrans-75.3118.5174.5-164.9-170.7154.800109.4K466E464-K466 WeakPolarHBondContact OE1-CE 3.38Å; E464-K466 IonicContact OE1-NZ 2.67Å
465H79.1Confident80.5Confident40 Ų4084.6 Ų84.619%0.18544%0.436CS..  trans-105.7113.6176.3-69.6-86000109.3K463 E467 D481 E484K463-H465 PolarHBondContact O-CD2 2.89Å; K463-H465 PolarHBondContact O-N 3.14Å; H465-E467 VanDerWaalsContact C-N 3.27Å; H465-E467 PolarHBondContact O-N 3.05Å; H465-D481 IonicContact CD2-OD1 3.24Å; H465-D481 IonicContact CE1-OD1 2.66Å; H465-D481 IonicContact NE2-OD1 3.23Å; H465-D481 PolarHBondContact NE2-OD1 2.85Å; H465-E484 IonicContact CE1-OE1 2.75Å; H465-E484 IonicContact CE1-OE2 3.24Å
466K67.1Low81.4Confident177 Ų17784.8 Ų84.877%0.7744%0.436SS*.  trans-87.86.7179.5-62.9-172177.9-173.70113.7E464E464-K466 WeakPolarHBondContact OE1-CE 3.38Å; E464-K466 IonicContact OE1-NZ 2.67Å
467E60.9Low82.7Confident153 Ų15381.3 Ų81.372%0.71540%0.4SS*.  trans-86.7-5.4-170.3-63.2-174.9165.700114.1H465 T469H465-E467 VanDerWaalsContact C-N 3.27Å; H465-E467 PolarHBondContact O-N 3.05Å; E467-T469 PolarHBondContact O-N 2.84Å
468S64Low83.6Confident53 Ų5376.3 Ų76.337%0.37138%0.379SS..  trans-74.3106.4-176.6-171.10000111.9Y470 S473S468-Y470 PolarHBondContact O-N 3.46Å; S468-Y470 PolarHBondContact OG-N 3.42Å; S468-Y470 PolarHBondContact OG-O 3.37Å; S468-Y470 VanDerWaalsContact OG-O 3.05Å; S468-S473 PolarHBondContact OG-O 3.41Å
469T78Confident84.6Confident123 Ų12371.1 Ų71.176%0.75535%0.347SS*.  trans-69.2-17173-45.50000112.6E467E467-T469 PolarHBondContact O-N 2.84Å
470Y90.8Very high85.2Confident66 Ų6669.7 Ų69.726%0.25934%0.339SS..  trans-119.6124.2-171.7-56.1-80.9000112.1H294 A296 D297 S468 L472 S473H294-Y470 HydrophobicContact CB-CD2 4.21Å; H294-Y470 HydrophobicContact CB-CE2 3.65Å; H294-Y470 AromaticContact CD2-CD2 3.69Å; H294-Y470 AromaticContact CE1-CD1 3.69Å; H294-Y470 AromaticContact CE1-CG 3.71Å; H294-Y470 AromaticContact CG-CD2 3.71Å; H294-Y470 AromaticContact CG-CE2 3.57Å; H294-Y470 AromaticContact CG-CZ 3.87Å; H294-Y470 AromaticContact ND1-CD1 3.79Å; H294-Y470 AromaticContact ND1-CD2 3.95Å; H294-Y470 AromaticContact ND1-CE1 3.67Å; H294-Y470 AromaticContact ND1-CE2 3.84Å; H294-Y470 AromaticContact ND1-CG 3.92Å; H294-Y470 AromaticContact ND1-CZ 3.7Å; H294-Y470 AromaticContact NE2-CD2 3.93Å; H294-Y470 AromaticContact NE2-CG 3.76Å; A296-Y470 HydrophobicContact CB-CE1 3.85Å; D297-Y470 PolarHBondContact OD1-OH 3.24Å; D297-Y470 PolarHBondContact OD2-OH 2.88Å; S468-Y470 PolarHBondContact O-N 3.46Å; S468-Y470 PolarHBondContact OG-N 3.42Å; S468-Y470 PolarHBondContact OG-O 3.37Å; S468-Y470 VanDerWaalsContact OG-O 3.05Å; Y470-L472 PolarHBondContact O-N 3.04Å; Y470-L472 VanDerWaalsContact O-N 3.17Å; Y470-S473 CarbonylContact O-C 3.53Å; Y470-S473 PolarHBondContact O-N 3.19Å
471Q90.2Very high85.8Confident138 Ų13868.6 Ų68.665%0.64533%0.331SS*.THydrogen-bonded Turntrans-57.9-32.3-177.7-68.6174.8-20.500114.1V376 R474V376-Q471 HydrophobicContact CG1-CB 4.03Å; V376-Q471 HydrophobicContact CG1-CG 4.28Å; Q471-R474 WeakPolarHBondContact O-CG 3.1Å; Q471-R474 PolarHBondContact O-NE 3.08Å
472L93.5Very high86.6Confident45 Ų4559.8 Ų59.824%0.23629%0.291CS..THydrogen-bonded Turntrans-91.25.2-179.5-59.9-178.7000114L246 F356 C364 E365 Q368 Y470L246-L472 HydrophobicContact CD1-CB 3.74Å; F356-L472 HydrophobicContact CE2-CD1 4.35Å; F356-L472 HydrophobicContact CZ-CD1 3.8Å; C364-L472 HydrophobicContact CB-CB 4.18Å; C364-L472 HydrophobicContact CB-CD1 4.31Å; C364-L472 HydrophobicContact CB-CD2 4.16Å; C364-L472 HydrophobicContact CB-CG 4.45Å; E365-L472 HydrophobicContact CB-CD2 4.07Å; Q368-L472 VanDerWaalsContact CG-O 3.32Å; Q368-L472 WeakPolarHBondContact CG-O 3.44Å; Q368-L472 PolarHBondContact NE2-O 3.3Å; Y470-L472 PolarHBondContact O-N 3.04Å; Y470-L472 VanDerWaalsContact O-N 3.17Å
473S94.5Very high87.3Confident26 Ų2656.6 Ų56.618%0.18228%0.277CS..  trans-135.748.9-176.9-54.70000110.5H294 S468 Y470H294-S473 PolarHBondContact CD2-OG 2.99Å; H294-S473 PolarHBondContact NE2-OG 3.21Å; S468-S473 PolarHBondContact OG-O 3.41Å; Y470-S473 CarbonylContact O-C 3.53Å; Y470-S473 PolarHBondContact O-N 3.19Å
474R93.1Very high87.9Confident32 Ų3253.5 Ų53.512%0.12126%0.264CS..  trans-83-32.3-177.9-69.2178.8-74.6147.31112.3Q368 D369 M372 T374 D375 Q471 T476Q368-R474 VanDerWaalsContact CB-NH2 3.25Å; D369-R474 IonicContact OD1-CZ 2.74Å; D369-R474 IonicContact OD1-NH1 3.99Å; D369-R474 IonicContact OD1-NH2 3.81Å; D369-R474 PolarHBondContact OD1-NH2 3.29Å; M372-R474 HydrophobicContact CE-CB 4.27Å; M372-R474 HydrophobicContact CG-CB 3.92Å; M372-R474 HydrophobicContact SD-CB 4.16Å; T374-R474 PolarHBondContact O-NH1 3.01Å; D375-R474 PolarHBondContact O-NH1 3.05Å; Q471-R474 WeakPolarHBondContact O-CG 3.1Å; Q471-R474 PolarHBondContact O-NE 3.08Å; R474-T476 PolarHBondContact O-N 2.67Å
475W94.3Very high88.9Confident12 Ų1248.7 Ų48.75%0.04524%0.243CC..  trans-61.4132.1179.6-178.9-98.2000111.8I239 S240 L243 A371 M372 K462I239-W475 HydrophobicContact CB-CH2 3.87Å; I239-W475 HydrophobicContact CB-CZ2 3.7Å; I239-W475 HydrophobicContact CD1-CH2 3.65Å; I239-W475 HydrophobicContact CD1-CZ2 4.36Å; I239-W475 HydrophobicContact CD1-CZ3 4.11Å; I239-W475 HydrophobicContact CG1-CH2 4.36Å; I239-W475 HydrophobicContact CG2-CD2 3.99Å; I239-W475 HydrophobicContact CG2-CE3 4.1Å; I239-W475 HydrophobicContact CG2-CH2 3.65Å; I239-W475 HydrophobicContact CG2-CZ2 3.51Å; I239-W475 HydrophobicContact CG2-CZ3 3.94Å; S240-W475 PolarHBondContact OG-NE1 3.35Å; L243-W475 HydrophobicContact CD1-CB 3.65Å; L243-W475 HydrophobicContact CD1-CD2 3.7Å; L243-W475 HydrophobicContact CD1-CG 3.23Å; A371-W475 HydrophobicContact CB-CD2 4.28Å; A371-W475 HydrophobicContact CB-CE3 3.62Å; A371-W475 HydrophobicContact CB-CZ3 4.12Å; A371-W475 VanDerWaalsContact O-CZ3 3.3Å; A371-W475 WeakPolarHBondContact O-CZ3 3.47Å; M372-W475 HydrophobicContact SD-CB 4.39Å; M372-W475 HydrophobicContact SD-CE3 4.05Å; K462-W475 HydrophobicContact CD-CE3 4.4Å; K462-W475 HydrophobicContact CD-CH2 3.42Å; K462-W475 VanDerWaalsContact CD-CH2 3.42Å; K462-W475 HydrophobicContact CD-CZ2 4.12Å; K462-W475 HydrophobicContact CD-CZ3 3.59Å; K462-W475 VanDerWaalsContact NZ-CH2 3.33Å
476T95Very high89.6Confident21 Ų2146.8 Ų46.813%0.12923%0.234CC..  trans-115.7128.1169.5-64.30000108.6K462 R474 T478 K480K462-T476 WeakPolarHBondContact CE-O 2.98Å; K462-T476 PolarHBondContact NZ-O 3.25Å; R474-T476 PolarHBondContact O-N 2.67Å; T476-T478 PolarHBondContact O-N 3.05Å; T476-K480 HydrophobicContact CG2-CB 4Å; T476-K480 HydrophobicContact CG2-CD 3.57Å; T476-K480 HydrophobicContact CG2-CG 4.33Å
477P96Very high90.9Very high0 Ų039.1 Ų39.10%020%0.202CC..  trans-56.9138.3178-27.836.3000112.7S240 I479 K480 E547S240-P477 WeakPolarHBondContact OG-CA 3.39Å; S240-P477 WeakPolarHBondContact OG-CB 3.38Å; P477-I479 HydrophobicContact CB-CG2 4.2Å; P477-I479 PolarHBondContact O-N 2.86Å; P477-K480 VanDerWaalsContact O-CB 3.3Å; P477-K480 WeakPolarHBondContact O-CB 3.34Å; P477-K480 PolarHBondContact O-N 2.94Å; P477-E547 HydrophobicContact CB-CG 3.94Å; P477-E547 HydrophobicContact CG-CG 4.47Å
478T95.6Very high92.4Very high7 Ų734.7 Ų34.74%0.04319%0.185CC..Hα-helixtrans-62.9-29.4-174.6-46.30000111.4F236 D237 P460 T476 K480 D481 V482F236-T478 HydrophobicContact CE1-CG2 3.69Å; F236-T478 HydrophobicContact CE2-CG2 4.45Å; F236-T478 HydrophobicContact CZ-CG2 3.53Å; D237-T478 VanDerWaalsContact CG-OG1 3.31Å; D237-T478 VanDerWaalsContact OD2-CB 3.22Å; D237-T478 WeakPolarHBondContact OD2-CB 3.5Å; D237-T478 PolarHBondContact OD2-N 2.8Å; D237-T478 PolarHBondContact OD2-OG1 3.19Å; P460-T478 HydrophobicContact CB-CG2 3.86Å; P460-T478 HydrophobicContact CG-CG2 4.15Å; T476-T478 PolarHBondContact O-N 3.05Å; T478-K480 PolarHBondContact O-N 2.84Å; T478-D481 WeakPolarHBondContact O-CB 3.11Å; T478-D481 PolarHBondContact O-N 3.36Å; T478-V482 PolarHBondContact O-N 3.18Å
479I96.4Very high93.6Very high0 Ų034.7 Ų34.70%018%0.181CC..Hα-helixtrans-63-26177.1-160.466.4000112.7V232 F236 P477 D481 V482 M483 I537 M539 E547V232-I479 HydrophobicContact CG2-CD1 4.08Å; F236-I479 HydrophobicContact CE1-CD1 4.42Å; P477-I479 HydrophobicContact CB-CG2 4.2Å; P477-I479 PolarHBondContact O-N 2.86Å; I479-D481 VanDerWaalsContact C-N 3.35Å; I479-D481 PolarHBondContact O-N 3.42Å; I479-V482 HydrophobicContact CD1-CB 4.19Å; I479-V482 HydrophobicContact CD1-CG1 4.34Å; I479-V482 WeakPolarHBondContact O-CB 3.38Å; I479-V482 PolarHBondContact O-N 2.85Å; I479-M483 HydrophobicContact CG1-CE 3.94Å; I479-M483 HydrophobicContact CG2-CE 3.96Å; I479-M483 VanDerWaalsContact O-CG 3.24Å; I479-M483 WeakPolarHBondContact O-CG 3.2Å; I479-M483 PolarHBondContact O-N 3.37Å; I479-I537 HydrophobicContact CD1-CD1 4.39Å; I479-I537 HydrophobicContact CD1-CG2 4Å; I479-I537 HydrophobicContact CG1-CD1 4.15Å; I479-I537 HydrophobicContact CG1-CG2 4.23Å; I479-M539 HydrophobicContact CB-CE 4.47Å; I479-M539 HydrophobicContact CD1-CE 4.14Å; I479-M539 HydrophobicContact CG1-CE 4.3Å; I479-E547 HydrophobicContact CG2-CB 3.92Å; I479-E547 HydrophobicContact CG2-CG 3.78Å
480K97Very high94.4Very high18 Ų1836.3 Ų36.38%0.07818%0.177CC..Hα-helixtrans-63-43.1175.3-170.1178.7173.5177.80111.2T476 P477 T478 V482 M483 E484 E553 V554T476-K480 HydrophobicContact CG2-CB 4Å; T476-K480 HydrophobicContact CG2-CD 3.57Å; T476-K480 HydrophobicContact CG2-CG 4.33Å; P477-K480 VanDerWaalsContact O-CB 3.3Å; P477-K480 WeakPolarHBondContact O-CB 3.34Å; P477-K480 PolarHBondContact O-N 2.94Å; T478-K480 PolarHBondContact O-N 2.84Å; K480-V482 VanDerWaalsContact C-N 3.28Å; K480-V482 PolarHBondContact O-N 3.37Å; K480-M483 WeakPolarHBondContact O-CB 3.18Å; K480-M483 PolarHBondContact O-N 3.11Å; K480-E484 WeakPolarHBondContact CE-OE1 3.28Å; K480-E484 WeakPolarHBondContact O-CG 3.19Å; K480-E484 PolarHBondContact O-N 2.8Å; K480-E553 WeakPolarHBondContact CE-OE2 3.46Å; K480-E553 IonicContact NZ-OE2 3.64Å; K480-E553 PolarHBondContact NZ-OE2 3.01Å; K480-V554 HydrophobicContact CG-CG2 3.82Å
481D95.8Very high94.5Very high10 Ų1033.7 Ų33.75%0.05317%0.168CC..Hα-helixtrans-62.2-39.2176.3-65.9-13.2000111K463 H465 T478 I479 N485K463-D481 WeakPolarHBondContact CB-OD2 3.42Å; K463-D481 PolarHBondContact N-OD2 3.44Å; H465-D481 IonicContact CD2-OD1 3.24Å; H465-D481 IonicContact CE1-OD1 2.66Å; H465-D481 IonicContact NE2-OD1 3.23Å; H465-D481 PolarHBondContact NE2-OD1 2.85Å; T478-D481 WeakPolarHBondContact O-CB 3.11Å; T478-D481 PolarHBondContact O-N 3.36Å; I479-D481 VanDerWaalsContact C-N 3.35Å; I479-D481 PolarHBondContact O-N 3.42Å; D481-N485 VanDerWaalsContact O-CB 3.28Å; D481-N485 WeakPolarHBondContact O-CB 3.31Å; D481-N485 VanDerWaalsContact O-CG 3.22Å; D481-N485 PolarHBondContact O-N 2.88Å; D481-N485 PolarHBondContact O-ND2 3.05Å
482V96.7Very high94.6Very high8 Ų830.7 Ų30.75%0.04816%0.156CC..Hα-helixtrans-63.3-45.7175.1176.50000110.8L230 F236 T478 I479 K480 N485 A486 L491 W496L230-V482 HydrophobicContact CD1-CG1 3.65Å; F236-V482 HydrophobicContact CE1-CG2 4.06Å; F236-V482 HydrophobicContact CE2-CG2 4.37Å; F236-V482 HydrophobicContact CZ-CG2 3.49Å; F236-V482 VanDerWaalsContact CZ-CG2 3.49Å; T478-V482 PolarHBondContact O-N 3.18Å; I479-V482 HydrophobicContact CD1-CB 4.19Å; I479-V482 HydrophobicContact CD1-CG1 4.34Å; I479-V482 WeakPolarHBondContact O-CB 3.38Å; I479-V482 PolarHBondContact O-N 2.85Å; K480-V482 VanDerWaalsContact C-N 3.28Å; K480-V482 PolarHBondContact O-N 3.37Å; V482-N485 PolarHBondContact O-N 3.35Å; V482-A486 VanDerWaalsContact O-CB 3.25Å; V482-A486 WeakPolarHBondContact O-CB 3.41Å; V482-A486 PolarHBondContact O-N 3.03Å; V482-L491 HydrophobicContact CB-CD1 4.46Å; V482-L491 HydrophobicContact CG1-CD1 3.96Å; V482-L491 HydrophobicContact CG1-CD2 4.12Å; V482-W496 HydrophobicContact CB-CZ2 4.44Å; V482-W496 HydrophobicContact CG1-CH2 4Å; V482-W496 HydrophobicContact CG1-CZ2 3.8Å; V482-W496 HydrophobicContact CG2-CH2 4.43Å; V482-W496 HydrophobicContact CG2-CZ2 3.71Å
483M97.2Very high94.6Very high0 Ų035 Ų350%017%0.17CC..Hα-helixtrans-58.9-50177.4-68.5161.7-179.800111.7I479 K480 N485 A486 I487 L535 I537 A551 V554 V564 I566I479-M483 HydrophobicContact CG1-CE 3.94Å; I479-M483 HydrophobicContact CG2-CE 3.96Å; I479-M483 VanDerWaalsContact O-CG 3.24Å; I479-M483 WeakPolarHBondContact O-CG 3.2Å; I479-M483 PolarHBondContact O-N 3.37Å; K480-M483 WeakPolarHBondContact O-CB 3.18Å; K480-M483 PolarHBondContact O-N 3.11Å; M483-N485 PolarHBondContact O-N 2.79Å; M483-A486 PolarHBondContact O-N 2.94Å; M483-I487 WeakPolarHBondContact O-CG1 3.5Å; M483-I487 PolarHBondContact O-N 2.98Å; M483-I487 VanDerWaalsContact O-N 3.09Å; M483-L535 HydrophobicContact CB-CD2 4.07Å; M483-L535 HydrophobicContact CG-CD2 4.19Å; M483-I537 HydrophobicContact CE-CD1 3.5Å; M483-I537 HydrophobicContact CG-CD1 3.26Å; M483-I537 HydrophobicContact SD-CD1 4.2Å; M483-A551 HydrophobicContact CE-CB 4.01Å; M483-V554 HydrophobicContact CB-CB 4.37Å; M483-V554 HydrophobicContact CB-CG1 4.1Å; M483-V554 HydrophobicContact CB-CG2 3.96Å; M483-V554 HydrophobicContact SD-CG2 4.12Å; M483-V564 HydrophobicContact CE-CG1 4.1Å; M483-V564 HydrophobicContact CG-CG1 4.07Å; M483-V564 HydrophobicContact SD-CG1 4.1Å; M483-I566 HydrophobicContact CE-CB 4.5Å; M483-I566 HydrophobicContact CE-CD1 3.75Å
484E95.8Very high94.4Very high42 Ų4242.3 Ų42.320%0.19620%0.198CC..Hα-helixtrans-60.8-43.7178.9-71.5179.4-175.500112K463 H465 K480 T488 V554K463-E484 IonicContact NZ-OE2 2.73Å; K463-E484 PolarHBondContact NZ-OE2 2.89Å; H465-E484 IonicContact CE1-OE1 2.75Å; H465-E484 IonicContact CE1-OE2 3.24Å; K480-E484 WeakPolarHBondContact CE-OE1 3.28Å; K480-E484 WeakPolarHBondContact O-CG 3.19Å; K480-E484 PolarHBondContact O-N 2.8Å; E484-T488 WeakPolarHBondContact O-CG2 3.42Å; E484-T488 PolarHBondContact O-N 2.83Å; E484-T488 PolarHBondContact O-OG1 2.73Å; E484-V554 HydrophobicContact CG-CG2 4.16Å
485N95.3Very high94.4Very high51 Ų5145 Ų4527%0.27321%0.212SC..Hα-helixtrans-70.4-34.7179-73.3-34.6000112.4D481 V482 M483 T488 D489 K490 L491D481-N485 VanDerWaalsContact O-CB 3.28Å; D481-N485 WeakPolarHBondContact O-CB 3.31Å; D481-N485 VanDerWaalsContact O-CG 3.22Å; D481-N485 PolarHBondContact O-N 2.88Å; D481-N485 PolarHBondContact O-ND2 3.05Å; V482-N485 PolarHBondContact O-N 3.35Å; M483-N485 PolarHBondContact O-N 2.79Å; N485-T488 PolarHBondContact O-N 3.37Å; N485-T488 PolarHBondContact O-OG1 2.93Å; N485-D489 PolarHBondContact O-N 3.49Å; N485-D489 VanDerWaalsContact O-N 3.16Å; N485-K490 HydrophobicContact CB-CB 4.35Å; N485-K490 PolarHBondContact O-N 2.92Å; N485-L491 HydrophobicContact CB-CB 4.21Å; N485-L491 HydrophobicContact CB-CD1 4.07Å; N485-L491 PolarHBondContact O-N 2.78Å; N485-L491 VanDerWaalsContact O-N 3.16Å
486A94.8Very high94.4Very high0 Ų044.6 Ų44.60%021%0.21CC..Hα-helixtrans-66.2-45.7177.400000111.7Q228 L230 V482 M483 T488 D489 L491 L535Q228-A486 PolarHBondContact NE2-O 3.12Å; L230-A486 HydrophobicContact CD1-CB 4.16Å; V482-A486 VanDerWaalsContact O-CB 3.25Å; V482-A486 WeakPolarHBondContact O-CB 3.41Å; V482-A486 PolarHBondContact O-N 3.03Å; M483-A486 PolarHBondContact O-N 2.94Å; A486-T488 PolarHBondContact O-N 2.66Å; A486-D489 PolarHBondContact O-N 3.42Å; A486-L491 HydrophobicContact CB-CD2 4.15Å; A486-L535 HydrophobicContact CB-CD1 3.9Å; A486-L535 HydrophobicContact CB-CD2 3.86Å
487I93.7Very high94.4Very high17 Ų1745 Ų459%0.08721%0.213CC..Hα-helixtrans-64.7-30.2178.8-71.2169.8000112.1M483 L535 V554 T558 W562 V564M483-I487 WeakPolarHBondContact O-CG1 3.5Å; M483-I487 PolarHBondContact O-N 2.98Å; M483-I487 VanDerWaalsContact O-N 3.09Å; I487-L535 HydrophobicContact CD1-CD2 4.43Å; I487-L535 HydrophobicContact CG1-CD2 4.14Å; I487-V554 HydrophobicContact CD1-CG1 3.33Å; I487-T558 HydrophobicContact CD1-CG2 4.26Å; I487-T558 HydrophobicContact CG2-CG2 4.09Å; I487-W562 HydrophobicContact CB-CD2 4.36Å; I487-W562 HydrophobicContact CB-CG 4.43Å; I487-W562 HydrophobicContact CD1-CB 3.97Å; I487-W562 HydrophobicContact CD1-CG 4.3Å; I487-W562 HydrophobicContact CG1-CB 4.19Å; I487-W562 HydrophobicContact CG1-CD2 3.87Å; I487-W562 HydrophobicContact CG1-CE3 3.94Å; I487-W562 HydrophobicContact CG1-CG 4Å; I487-W562 HydrophobicContact CG2-CB 4.32Å; I487-W562 HydrophobicContact CG2-CD2 4.04Å; I487-W562 HydrophobicContact CG2-CG 3.73Å; I487-V564 HydrophobicContact CD1-CG2 3.86Å
488T92.7Very high94.3Very high59 Ų5946.6 Ų46.636%0.36222%0.22SC..THydrogen-bonded Turntrans-97.18.6-179.558.70000114.1E484 N485 A486 K490E484-T488 WeakPolarHBondContact O-CG2 3.42Å; E484-T488 PolarHBondContact O-N 2.83Å; E484-T488 PolarHBondContact O-OG1 2.73Å; N485-T488 PolarHBondContact O-N 3.37Å; N485-T488 PolarHBondContact O-OG1 2.93Å; A486-T488 PolarHBondContact O-N 2.66Å; T488-K490 PolarHBondContact O-N 3.02Å
489D90.3Very high94.1Very high54 Ų5448.1 Ų48.129%0.28923%0.228SC..THydrogen-bonded Turntrans58.321-176.7-57.6-41.9000115.7N485 A486 T507 M508N485-D489 PolarHBondContact O-N 3.49Å; N485-D489 VanDerWaalsContact O-N 3.16Å; A486-D489 PolarHBondContact O-N 3.42Å; D489-T507 WeakPolarHBondContact OD1-CB 3.26Å; D489-T507 PolarHBondContact OD1-OG1 2.82Å; D489-T507 WeakPolarHBondContact OD2-CA 3.4Å; D489-T507 WeakPolarHBondContact OD2-CB 3.3Å; D489-T507 PolarHBondContact OD2-OG1 2.89Å; D489-M508 WeakPolarHBondContact OD2-CG 3.46Å; D489-M508 PolarHBondContact OD2-N 2.73Å
490K93.5Very high93.3Very high156 Ų15650.1 Ų50.168%0.67824%0.242SC*.  trans-95.4-0.8179.3-67.4179.1-176.51780113.4N485 T488 D492N485-K490 HydrophobicContact CB-CB 4.35Å; N485-K490 PolarHBondContact O-N 2.92Å; T488-K490 PolarHBondContact O-N 3.02Å; K490-D492 PolarHBondContact O-N 3.39Å
491L93.1Very high91.5Very high12 Ų1255.7 Ų55.76%0.06327%0.272CS..SBendtrans-70.1118.4-179.2-168.368.6000110.8R189 L230 V482 N485 A486 R493 W496R189-L491 PolarHBondContact NH2-O 3.06Å; L230-L491 HydrophobicContact CD1-CD2 4.1Å; L230-L491 HydrophobicContact CD2-CD2 4.32Å; V482-L491 HydrophobicContact CB-CD1 4.46Å; V482-L491 HydrophobicContact CG1-CD1 3.96Å; V482-L491 HydrophobicContact CG1-CD2 4.12Å; N485-L491 HydrophobicContact CB-CB 4.21Å; N485-L491 HydrophobicContact CB-CD1 4.07Å; N485-L491 PolarHBondContact O-N 2.78Å; N485-L491 VanDerWaalsContact O-N 3.16Å; A486-L491 HydrophobicContact CB-CD2 4.15Å; L491-R493 PolarHBondContact O-N 2.9Å; L491-W496 HydrophobicContact CD1-CD2 4.43Å; L491-W496 HydrophobicContact CD1-CG 4.05Å; L491-W496 HydrophobicContact CD2-CB 3.77Å; L491-W496 HydrophobicContact CD2-CD2 3.89Å; L491-W496 HydrophobicContact CD2-CE3 4.39Å; L491-W496 HydrophobicContact CD2-CG 3.6Å; L491-W496 HydrophobicContact CG-CB 3.92Å; L491-W496 HydrophobicContact CG-CD2 4.33Å; L491-W496 HydrophobicContact CG-CG 3.67Å
492D92.6Very high89.6Confident74 Ų7460.8 Ų60.840%0.39631%0.306SS..  trans-54.6127.2-174.3179.9-86.4000112.8K490 K494 Q495 W496K490-D492 PolarHBondContact O-N 3.39Å; D492-K494 PolarHBondContact O-N 2.86Å; D492-K494 WeakPolarHBondContact OD1-CA 3.32Å; D492-K494 VanDerWaalsContact OD1-CB 3.32Å; D492-K494 WeakPolarHBondContact OD1-CB 3.47Å; D492-K494 PolarHBondContact OD1-N 3.42Å; D492-Q495 HydrophobicContact CB-CB 4.22Å; D492-Q495 HydrophobicContact CB-CG 4.49Å; D492-Q495 WeakPolarHBondContact OD1-CB 3.35Å; D492-Q495 PolarHBondContact OD1-N 3.44Å; D492-W496 WeakPolarHBondContact O-CA 2.89Å; D492-W496 VanDerWaalsContact O-CB 3.31Å; D492-W496 WeakPolarHBondContact O-CB 3.45Å; D492-W496 PolarHBondContact O-N 3.19Å
493R92.4Very high87.9Confident137 Ų13761.5 Ų61.552%0.51731%0.313SS..THydrogen-bonded Turntrans-76.6-19.4-175-66.2-174.5179.1-142.3-0.1114.2L491 W496 P497L491-R493 PolarHBondContact O-N 2.9Å; R493-W496 CarbonylContact O-C 3.57Å; R493-P497 VanDerWaalsContact O-CA 3.27Å; R493-P497 WeakPolarHBondContact O-CA 3.38Å
494K92.2Very high86Confident178 Ų17864.2 Ų64.277%0.77433%0.33SS*.THydrogen-bonded Turntrans-78.3-40.7175.5-63.5-178.9177.7179.60110.4S192 D492S192-K494 WeakPolarHBondContact CB-O 3.4Å; S192-K494 PolarHBondContact OG-O 2.88Å; D492-K494 PolarHBondContact O-N 2.86Å; D492-K494 WeakPolarHBondContact OD1-CA 3.32Å; D492-K494 VanDerWaalsContact OD1-CB 3.32Å; D492-K494 WeakPolarHBondContact OD1-CB 3.47Å; D492-K494 PolarHBondContact OD1-N 3.42Å
495Q92.8Very high84.2Confident88 Ų8867.5 Ų67.541%0.41135%0.348SS..THydrogen-bonded Turntrans-78.3-27.3178-71.2-166.52000113.3S192 D492S192-Q495 WeakPolarHBondContact CB-O 3.47Å; S192-Q495 PolarHBondContact N-O 3.48Å; S192-Q495 VanDerWaalsContact OG-CA 3.32Å; S192-Q495 WeakPolarHBondContact OG-CA 3.38Å; S192-Q495 PolarHBondContact OG-O 2.85Å; D492-Q495 HydrophobicContact CB-CB 4.22Å; D492-Q495 HydrophobicContact CB-CG 4.49Å; D492-Q495 WeakPolarHBondContact OD1-CB 3.35Å; D492-Q495 PolarHBondContact OD1-N 3.44Å
496W94.6Very high82.2Confident5 Ų569.2 Ų69.22%0.01936%0.357CS..SBendtrans-134.666.4-178.4-60.491.5000110.8R189 Y190 R191 L230 V232 F236 V482 L491 D492 R493R189-W496 VanDerWaalsContact CZ-O 3.26Å; R189-W496 PolarHBondContact NE-O 3.42Å; R189-W496 PolarHBondContact NH2-O 3.46Å; Y190-W496 WeakPolarHBondContact O-CA 3.33Å; R191-W496 HydrophobicContact CB-CE3 4.18Å; R191-W496 HydrophobicContact CB-CH2 3.88Å; R191-W496 HydrophobicContact CB-CZ2 4.4Å; R191-W496 HydrophobicContact CB-CZ3 3.75Å; R191-W496 HydrophobicContact CG-CH2 4.41Å; L230-W496 HydrophobicContact CB-CZ3 4.39Å; V232-W496 HydrophobicContact CB-CH2 4.37Å; V232-W496 HydrophobicContact CG1-CH2 3.98Å; V232-W496 HydrophobicContact CG2-CH2 3.64Å; V232-W496 HydrophobicContact CG2-CZ3 3.77Å; F236-W496 HydrophobicContact CD2-CZ2 4.36Å; F236-W496 AromaticContact CE2-CZ2 3.81Å; F236-W496 HydrophobicContact CE2-CZ2 3.81Å; F236-W496 HydrophobicContact CZ-CZ2 4.1Å; V482-W496 HydrophobicContact CB-CZ2 4.44Å; V482-W496 HydrophobicContact CG1-CH2 4Å; V482-W496 HydrophobicContact CG1-CZ2 3.8Å; V482-W496 HydrophobicContact CG2-CH2 4.43Å; V482-W496 HydrophobicContact CG2-CZ2 3.71Å; L491-W496 HydrophobicContact CD1-CD2 4.43Å; L491-W496 HydrophobicContact CD1-CG 4.05Å; L491-W496 HydrophobicContact CD2-CB 3.77Å; L491-W496 HydrophobicContact CD2-CD2 3.89Å; L491-W496 HydrophobicContact CD2-CE3 4.39Å; L491-W496 HydrophobicContact CD2-CG 3.6Å; L491-W496 HydrophobicContact CG-CB 3.92Å; L491-W496 HydrophobicContact CG-CD2 4.33Å; L491-W496 HydrophobicContact CG-CG 3.67Å; D492-W496 WeakPolarHBondContact O-CA 2.89Å; D492-W496 VanDerWaalsContact O-CB 3.31Å; D492-W496 WeakPolarHBondContact O-CB 3.45Å; D492-W496 PolarHBondContact O-N 3.19Å; R493-W496 CarbonylContact O-C 3.57Å
497P95Very high80.2Confident30 Ų3070.1 Ų70.120%0.19536%0.363CS..  trans-64.1155.9178.628.7-37.6000112R189 Y190 R493R189-P497 WeakPolarHBondContact CA-O 2.8Å; R189-P497 WeakPolarHBondContact CB-O 3.33Å; Y190-P497 HydrophobicContact CD1-CG 4.43Å; Y190-P497 HydrophobicContact CD2-CG 4.28Å; Y190-P497 HydrophobicContact CE1-CG 3.84Å; Y190-P497 HydrophobicContact CE2-CG 3.66Å; Y190-P497 VanDerWaalsContact CZ-CG 3.42Å; Y190-P497 PolarHBondContact N-O 3.43Å; Y190-P497 WeakPolarHBondContact O-CD 3.28Å; R493-P497 VanDerWaalsContact O-CA 3.27Å; R493-P497 WeakPolarHBondContact O-CA 3.38Å
498F93.7Very high78Confident33 Ų3376.3 Ų76.315%0.14539%0.393CS..BIsolated β-bridgetrans-83.4152.4165.5-68.3-88.9000109.5A187 I188 R189 A503A187-F498 HydrophobicContact CB-CD1 4.08Å; A187-F498 HydrophobicContact CB-CE1 3.73Å; I188-F498 WeakPolarHBondContact O-CA 3.43Å; R189-F498 HydrophobicContact CG-CD1 3.41Å; R189-F498 VanDerWaalsContact CG-CD1 3.41Å; R189-F498 HydrophobicContact CG-CD2 4.39Å; R189-F498 HydrophobicContact CG-CE1 3.44Å; R189-F498 VanDerWaalsContact CG-CE1 3.44Å; R189-F498 HydrophobicContact CG-CE2 4.41Å; R189-F498 HydrophobicContact CG-CG 3.92Å; R189-F498 HydrophobicContact CG-CZ 3.97Å; F498-A503 HydrophobicContact CD1-CB 4.48Å; F498-A503 HydrophobicContact CD2-CB 3.67Å; F498-A503 HydrophobicContact CE1-CB 4.42Å; F498-A503 HydrophobicContact CE2-CB 3.6Å; F498-A503 HydrophobicContact CG-CB 4.12Å; F498-A503 HydrophobicContact CZ-CB 4Å
499I90.4Very high75.7Confident39 Ų3980.1 Ų80.120%0.241%0.407CS..SBendtrans-71.2-49.1171.6-61.6177.1000110.8I188 Y190 A201 E202 Y205I188-I499 HydrophobicContact CB-CD1 3.7Å; I188-I499 HydrophobicContact CB-CG1 4.24Å; I188-I499 HydrophobicContact CD1-CD1 4.1Å; I188-I499 HydrophobicContact CG2-CD1 3.57Å; I188-I499 HydrophobicContact CG2-CG1 4.24Å; I188-I499 PolarHBondContact O-N 2.89Å; I188-I499 VanDerWaalsContact O-N 3.16Å; Y190-I499 HydrophobicContact CD1-CG1 4.12Å; Y190-I499 HydrophobicContact CE1-CG1 4.25Å; A201-I499 HydrophobicContact CB-CD1 3.42Å; A201-I499 VanDerWaalsContact CB-CD1 3.42Å; A201-I499 HydrophobicContact CB-CG1 3.89Å; A201-I499 WeakPolarHBondContact O-CD1 3.31Å; E202-I499 WeakPolarHBondContact OE2-CG2 3.28Å; Y205-I499 HydrophobicContact CD1-CG2 4.38Å; Y205-I499 HydrophobicContact CG-CG2 4.37Å
500S79.8Confident73.3Confident42 Ų4283.4 Ų83.429%0.29443%0.429SS..SBendtrans-106.5127.3-177.338.40000110.1
501D59.9Low70.4Confident134 Ų13481.7 Ų81.772%0.71743%0.431SS*.SBendtrans-103.7143.1168-98.3-37.2000110.3A503D501-A503 PolarHBondContact OD1-N 3.34Å; D501-A503 VanDerWaalsContact OD1-N 3.16Å
502P55.6Low67.6Low118 Ų11887.1 Ų87.177%0.76647%0.465SS*.SBendcis-74.71443.330.5-33.9000112.7
503A60.3Low64.8Low22 Ų2288.6 Ų88.618%0.18248%0.481CS..  trans-45.9136.2168.500000111.5F498 D501F498-A503 HydrophobicContact CD1-CB 4.48Å; F498-A503 HydrophobicContact CD2-CB 3.67Å; F498-A503 HydrophobicContact CE1-CB 4.42Å; F498-A503 HydrophobicContact CE2-CB 3.6Å; F498-A503 HydrophobicContact CG-CB 4.12Å; F498-A503 HydrophobicContact CZ-CB 4Å; D501-A503 PolarHBondContact OD1-N 3.34Å; D501-A503 VanDerWaalsContact OD1-N 3.16Å
504P57.3Low62Low57 Ų5785.8 Ų85.837%0.3748%0.483SS..SBendtrans-56.7154.5176.5-29.640.5000112.6A187 N506A187-P504 HydrophobicContact CB-CB 4.11Å; A187-P504 HydrophobicContact CB-CG 3.47Å; A187-P504 VanDerWaalsContact CB-CG 3.47Å; P504-N506 PolarHBondContact O-N 3.12Å
505I57.8Low59.3Low112 Ų11282.4 Ų82.457%0.57449%0.488SS*.SBendtrans-27.6126-171.2-57167.8000113.1T507I505-T507 PolarHBondContact O-N 2.84Å
506N53.6Low56.7Low87 Ų8789.1 Ų89.147%0.46551%0.509SS..  trans-50.7117.3174.4-95.7-24.8000110.6P504 M508 Q509P504-N506 PolarHBondContact O-N 3.12Å; N506-M508 PolarHBondContact O-N 3.22Å; N506-M508 VanDerWaalsContact O-N 3.12Å; N506-Q509 HydrophobicContact CB-CG 4.49Å; N506-Q509 PolarHBondContact O-N 3.48Å
507T53.2Low53.6Low18 Ų1898.4 Ų98.411%0.1155%0.55CS.*THydrogen-bonded Turntrans-63.8-18.7-175.9137.50000112.2R226 D489 I505 W562R226-T507 HydrophobicContact CB-CG2 3.87Å; R226-T507 HydrophobicContact CG-CG2 3.93Å; R226-T507 PolarHBondContact NH2-O 3.02Å; R226-T507 VanDerWaalsContact NH2-O 3.17Å; R226-T507 PolarHBondContact NH2-OG1 2.76Å; R226-T507 VanDerWaalsContact NH2-OG1 3.11Å; D489-T507 WeakPolarHBondContact OD1-CB 3.26Å; D489-T507 PolarHBondContact OD1-OG1 2.82Å; D489-T507 WeakPolarHBondContact OD2-CA 3.4Å; D489-T507 WeakPolarHBondContact OD2-CB 3.3Å; D489-T507 PolarHBondContact OD2-OG1 2.89Å; I505-T507 PolarHBondContact O-N 2.84Å; T507-W562 HydrophobicContact CG2-CH2 4.1Å; T507-W562 HydrophobicContact CG2-CZ2 3.92Å
508M46.6Very low50.6Low148 Ų148100.3 Ų100.373%0.72958%0.575SS**THydrogen-bonded Turntrans-84.3-12.7171.2-58.8-146.596.700116.3D489 N506 T510D489-M508 WeakPolarHBondContact OD2-CG 3.46Å; D489-M508 PolarHBondContact OD2-N 2.73Å; N506-M508 PolarHBondContact O-N 3.22Å; N506-M508 VanDerWaalsContact O-N 3.12Å; M508-T510 VanDerWaalsContact C-N 3.28Å; M508-T510 PolarHBondContact O-N 2.88Å
509Q45.5Very low47.9Very low139 Ų139108 Ų10865%0.6561%0.611SS**  trans-80.884.1173.5-81.4-176.8-17.500108.9N506 T511N506-Q509 HydrophobicContact CB-CG 4.49Å; N506-Q509 PolarHBondContact O-N 3.48Å; Q509-T511 PolarHBondContact O-N 3.05Å
510T39.7Very low45.7Very low123 Ų123116.4 Ų116.476%0.75564%0.641SS**  trans-57.193.4154.739.60000107.5M508 V512M508-T510 VanDerWaalsContact C-N 3.28Å; M508-T510 PolarHBondContact O-N 2.88Å; T510-V512 PolarHBondContact O-N 2.79Å
511T32.2Very low43.6Very low119 Ų119122.4 Ų122.473%0.7366%0.664SS**  trans-60.7102.5153.949.40000104.6Q509 S513Q509-T511 PolarHBondContact O-N 3.05Å; T511-S513 PolarHBondContact O-N 2.94Å
512V33.8Very low42.4Very low126 Ų126124.9 Ų124.976%0.76467%0.668SS**  trans-53.397.1164-174.30000104.4T510 S514T510-V512 PolarHBondContact O-N 2.79Å; V512-S514 PolarHBondContact O-N 2.74Å
513S34.9Very low41.3Very low106 Ų106127.7 Ų127.774%0.74168%0.677SS**  trans-60.196.7167.8-50.20000104.3T511 A515T511-S513 PolarHBondContact O-N 2.94Å; S513-A515 PolarHBondContact O-N 2.91Å
514S33.8Very low40Very low78 Ų78133.9 Ų133.955%0.54570%0.7SS.*  trans-52.6121.4-179.863.40000107V512 R516V512-S514 PolarHBondContact O-N 2.74Å; S514-R516 PolarHBondContact O-N 2.77Å
515A35.9Very low38.7Very low107 Ų107135.3 Ų135.388%0.88471%0.711SS**THydrogen-bonded Turntrans-67.935.1177.400000112.7S513S513-A515 PolarHBondContact O-N 2.91Å
516R36.9Very low37.5Very low228 Ų228136.2 Ų136.286%0.8672%0.724SS**THydrogen-bonded Turntrans-129.711.2-172.7-65.9-165.7-157-168.96.9115.2S514S514-R516 PolarHBondContact O-N 2.77Å
517F30.3Very low36.7Very low201 Ų201136.3 Ų136.388%0.88273%0.728SS**SBendtrans-123.2107.4170.9-107.1-90.7000112
518G31.5Very low36.1Very low69 Ų69142.5 Ų142.571%0.71176%0.756SS**  trans8756.614300000117.9W520G518-W520 PolarHBondContact O-N 3Å
519Q37.3Very low36.2Very low195 Ų195142.6 Ų142.691%0.91175%0.749SS**  trans-74.373.3157.8-117.6153.1-25.400110
520W43.2Very low36.5Very low216 Ų216147 Ų14782%0.81876%0.76SS**  trans-158.9117.9164.1-146.7-63000110.1G518G518-W520 PolarHBondContact O-N 3Å
521H36Very low37.5Very low167 Ų167142 Ų14277%0.77373%0.73SS**  trans75.292-178.5-56.1-59.2000118.1
522K35.5Very low39.6Very low187 Ų187136.8 Ų136.881%0.81370%0.7SS**  -164.5107.4127.2-104.5172.9-172.5-174.70108.8K524K522-K524 VanDerWaalsContact C-N 3.33Å; K522-K524 PolarHBondContact O-N 2.68Å
523N32Very low42.2Very low177 Ų177131 Ų13195%0.94766%0.664SS**  trans-60101156.8-80.2-15.1000106.5
524K33.1Very low45.1Very low151 Ų151126.6 Ų126.666%0.65763%0.631SS**  trans-83.9125.8171.4-80.9-161173.2-153.90109K522 E528K522-K524 VanDerWaalsContact C-N 3.33Å; K522-K524 PolarHBondContact O-N 2.68Å; K524-E528 IonicContact NZ-OE2 3.53Å; K524-E528 PolarHBondContact NZ-OE2 3.42Å
525S29.4Very low48.1Very low88 Ų88122.9 Ų122.962%0.61561%0.605SS**  trans-55.9142.1157.441.70000110T527S525-T527 PolarHBondContact O-N 3.18Å; S525-T527 VanDerWaalsContact O-N 3.08Å
526P34.1Very low51.1Low130 Ų130117.8 Ų117.884%0.84456%0.563SS**THydrogen-bonded Turntrans-84.972.9-178.334-32.7000110.9
527T35.5Very low54Low89 Ų89106.9 Ų106.955%0.54652%0.522SS..THydrogen-bonded Turntrans-155.16175.523.10000116.9S525 Y529S525-T527 PolarHBondContact O-N 3.18Å; S525-T527 VanDerWaalsContact O-N 3.08Å; T527-Y529 VanDerWaalsContact C-N 3.33Å; T527-Y529 HydrophobicContact CG2-CE2 4.19Å; T527-Y529 WeakPolarHBondContact O-CD2 3.32Å; T527-Y529 WeakPolarHBondContact O-CE2 3.44Å; T527-Y529 PolarHBondContact O-N 3.2Å
528E40.8Very low57.3Low148 Ų14897.3 Ų97.369%0.69248%0.48SS*.  trans-77.288169.5-82177.816900109.9K524 R530K524-E528 IonicContact NZ-OE2 3.53Å; K524-E528 PolarHBondContact NZ-OE2 3.42Å; E528-R530 PolarHBondContact O-N 3.36Å
529Y48.5Very low60.4Low151 Ų15194 Ų9459%0.59245%0.446SS*.  trans-56.1116.7172-64.4-87.5000109.6T527 S531T527-Y529 VanDerWaalsContact C-N 3.33Å; T527-Y529 HydrophobicContact CG2-CE2 4.19Å; T527-Y529 WeakPolarHBondContact O-CD2 3.32Å; T527-Y529 WeakPolarHBondContact O-CE2 3.44Å; T527-Y529 PolarHBondContact O-N 3.2Å; Y529-S531 PolarHBondContact O-N 3.09Å
530R51.6Low63.1Low232 Ų23284.8 Ų84.888%0.87540%0.403SS*.  trans-79.182.5176.5-67.9-176.6-177.3173.3-0.2109.7E528E528-R530 PolarHBondContact O-N 3.36Å
531S60.9Low65.4Low18 Ų1874.5 Ų74.513%0.12636%0.364CS..  trans-78124.815362.10000106.6Y529 R534Y529-S531 PolarHBondContact O-N 3.09Å; S531-R534 PolarHBondContact OG-NH2 3.32Å
532G76Confident68.3Low9 Ų966.5 Ų66.59%0.09333%0.327CS..  trans-64-167.5170.200000111.9K561G532-K561 WeakPolarHBondContact CA-O 3.35Å
533P90.1Very high71.2Confident3 Ų357.6 Ų57.62%0.01929%0.289CS..  trans-54.5147.6175.7-2130.2000112.1D223 R226 K561 W562 E563D223-P533 HydrophobicContact CB-CG 4.33Å; D223-P533 WeakPolarHBondContact O-CA 3.23Å; D223-P533 VanDerWaalsContact O-CB 3.31Å; D223-P533 WeakPolarHBondContact O-CB 3.24Å; D223-P533 WeakPolarHBondContact O-CG 3.32Å; R226-P533 HydrophobicContact CB-CB 3.76Å; R226-P533 HydrophobicContact CB-CG 3.74Å; P533-K561 WeakPolarHBondContact CD-O 3.37Å; P533-W562 HydrophobicContact CB-CD2 3.89Å; P533-W562 HydrophobicContact CB-CE3 3.79Å; P533-W562 HydrophobicContact CB-CH2 3.73Å; P533-W562 HydrophobicContact CB-CZ2 3.83Å; P533-W562 HydrophobicContact CB-CZ3 3.71Å; P533-W562 HydrophobicContact CG-CD2 4.44Å; P533-W562 HydrophobicContact CG-CZ2 4.18Å; P533-W562 WeakPolarHBondContact O-CA 3.45Å; P533-E563 PolarHBondContact O-N 2.9Å; P533-E563 VanDerWaalsContact O-N 3.11Å
534R94.2Very high74.4Confident14 Ų1449.5 Ų49.55%0.05325%0.246CC..EExtended strand (participates in β ladder)trans-105.3135.9179.1-68.3-174.3173.4130.7-9.7112L182 E184 S227 Q228 S531 I536 E563L182-R534 PolarHBondContact O-NH1 2.89Å; E184-R534 WeakPolarHBondContact OE1-CD 3.32Å; E184-R534 IonicContact OE1-CZ 3.6Å; E184-R534 IonicContact OE1-NE 2.85Å; E184-R534 IonicContact OE1-NH1 3.35Å; E184-R534 PolarHBondContact OE1-NH1 2.74Å; S227-R534 CarbonylContact C-O 3.57Å; S227-R534 WeakPolarHBondContact CA-O 3.24Å; S227-R534 WeakPolarHBondContact CB-O 3.4Å; S227-R534 PolarHBondContact OG-N 3.26Å; S227-R534 VanDerWaalsContact OG-N 3.08Å; Q228-R534 PolarHBondContact N-O 2.62Å; S531-R534 PolarHBondContact OG-NH2 3.32Å; R534-I536 HydrophobicContact CB-CG1 4.39Å; R534-E563 CarbonylContact C-O 3.6Å; R534-E563 VanDerWaalsContact CA-O 3.29Å; R534-E563 WeakPolarHBondContact CA-O 3.46Å; R534-E563 HydrophobicContact CG-CB 4.24Å; R534-E563 IonicContact CZ-OE2 2.66Å; R534-E563 IonicContact NE-OE2 2.73Å; R534-E563 PolarHBondContact NE-OE2 3.22Å; R534-E563 IonicContact NH2-OE2 2.73Å; R534-E563 PolarHBondContact NH2-OE2 3.32Å
535L97.4Very high77.5Confident0 Ų042.8 Ų42.80%022%0.217CC..EExtended strand (participates in β ladder)trans-105107.6165.317965.9000108.1Q228 L230 M483 A486 I487 I537 W562 E563 V564 L565Q228-L535 HydrophobicContact CB-CD1 3.86Å; L230-L535 HydrophobicContact CD1-CD1 3.95Å; L230-L535 HydrophobicContact CD2-CD1 4.46Å; L230-L535 HydrophobicContact CG-CD1 3.88Å; M483-L535 HydrophobicContact CB-CD2 4.07Å; M483-L535 HydrophobicContact CG-CD2 4.19Å; A486-L535 HydrophobicContact CB-CD1 3.9Å; A486-L535 HydrophobicContact CB-CD2 3.86Å; I487-L535 HydrophobicContact CD1-CD2 4.43Å; I487-L535 HydrophobicContact CG1-CD2 4.14Å; L535-I537 HydrophobicContact CD2-CD1 4.2Å; L535-I537 HydrophobicContact CG-CD1 4.4Å; L535-I537 HydrophobicContact CG-CG1 4.27Å; L535-W562 HydrophobicContact CB-CE3 4.15Å; L535-W562 HydrophobicContact CB-CZ3 4.26Å; L535-E563 PolarHBondContact N-O 3.02Å; L535-V564 HydrophobicContact CB-CG2 4.34Å; L535-V564 HydrophobicContact CD2-CG1 4.38Å; L535-V564 HydrophobicContact CD2-CG2 4.4Å; L535-V564 CarbonylContact O-C 3.49Å; L535-V564 VanDerWaalsContact O-CA 3.32Å; L535-V564 WeakPolarHBondContact O-CA 3.47Å; L535-L565 PolarHBondContact O-N 3.2Å
536I98.5Very high80.8Confident0 Ų038.7 Ų38.70%019%0.188CC..EExtended strand (participates in β ladder)trans-97.2129.8177.9-50.8175.8000107.8F144 L178 P186 Q228 L229 L230 R534 L565F144-I536 HydrophobicContact CE1-CG2 4.02Å; F144-I536 HydrophobicContact CZ-CG2 4.2Å; L178-I536 HydrophobicContact CD2-CG2 4.12Å; P186-I536 HydrophobicContact CG-CD1 4.47Å; Q228-I536 PolarHBondContact O-N 2.86Å; L229-I536 CarbonylContact C-O 3.53Å; L229-I536 VanDerWaalsContact CA-O 3.29Å; L229-I536 WeakPolarHBondContact CA-O 3.39Å; L229-I536 HydrophobicContact CD1-CB 3.76Å; L229-I536 HydrophobicContact CD1-CG2 3.57Å; L230-I536 PolarHBondContact N-O 3.47Å; R534-I536 HydrophobicContact CB-CG1 4.39Å; I536-L565 CarbonylContact C-O 3.57Å; I536-L565 WeakPolarHBondContact CA-O 3.4Å
537I98.6Very high83.8Confident0 Ų032.5 Ų32.50%015%0.148CC..EExtended strand (participates in β ladder)trans-120.6124.3177.8-64.3170.7000107.8L230 V232 I479 M483 L535 V564 L565 I566 G567L230-I537 HydrophobicContact CB-CG1 4.3Å; L230-I537 HydrophobicContact CD1-CG1 4.3Å; L230-I537 HydrophobicContact CG-CG1 4.47Å; V232-I537 HydrophobicContact CG2-CG2 4.21Å; I479-I537 HydrophobicContact CD1-CD1 4.39Å; I479-I537 HydrophobicContact CD1-CG2 4Å; I479-I537 HydrophobicContact CG1-CD1 4.15Å; I479-I537 HydrophobicContact CG1-CG2 4.23Å; M483-I537 HydrophobicContact CE-CD1 3.5Å; M483-I537 HydrophobicContact CG-CD1 3.26Å; M483-I537 HydrophobicContact SD-CD1 4.2Å; L535-I537 HydrophobicContact CD2-CD1 4.2Å; L535-I537 HydrophobicContact CG-CD1 4.4Å; L535-I537 HydrophobicContact CG-CG1 4.27Å; I537-V564 HydrophobicContact CD1-CG1 4.22Å; I537-L565 PolarHBondContact N-O 3.1Å; I537-I566 HydrophobicContact CB-CB 4.48Å; I537-I566 HydrophobicContact CB-CG1 4.15Å; I537-I566 HydrophobicContact CG2-CD1 4.4Å; I537-I566 HydrophobicContact CG2-CG1 4.12Å; I537-I566 CarbonylContact O-C 3.5Å; I537-I566 WeakPolarHBondContact O-CA 3.46Å; I537-G567 PolarHBondContact O-N 3.23Å
538F98.4Very high86.9Confident0 Ų028.3 Ų28.30%012%0.122CC..EExtended strand (participates in β ladder)trans-114.3119.6171.9-176.9-105.7000110.1F144 L146 L171 I175 L200 L229 L230 V232 I540 G567F144-F538 AromaticContact CE2-CD2 3.91Å; F144-F538 HydrophobicContact CE2-CD2 3.91Å; F144-F538 HydrophobicContact CE2-CE2 4.49Å; F144-F538 HydrophobicContact CZ-CD2 4.15Å; L146-F538 HydrophobicContact CD1-CD2 4.38Å; L146-F538 HydrophobicContact CD1-CE2 3.37Å; L146-F538 HydrophobicContact CD1-CZ 3.59Å; L146-F538 HydrophobicContact CG-CE2 3.86Å; L146-F538 HydrophobicContact CG-CZ 4.46Å; L171-F538 HydrophobicContact CD1-CE1 4.39Å; L171-F538 HydrophobicContact CD1-CZ 4.34Å; L171-F538 HydrophobicContact CD2-CZ 4.39Å; I175-F538 HydrophobicContact CD1-CB 4.33Å; I175-F538 HydrophobicContact CD1-CD1 3.51Å; I175-F538 HydrophobicContact CD1-CD2 4Å; I175-F538 HydrophobicContact CD1-CE1 3.7Å; I175-F538 HydrophobicContact CD1-CE2 4.19Å; I175-F538 HydrophobicContact CD1-CG 3.65Å; I175-F538 HydrophobicContact CD1-CZ 4.05Å; I175-F538 HydrophobicContact CG1-CD1 4.47Å; I175-F538 HydrophobicContact CG1-CD2 4.1Å; I175-F538 HydrophobicContact CG1-CE2 4.31Å; I175-F538 HydrophobicContact CG1-CG 4.18Å; L200-F538 HydrophobicContact CD2-CD1 4.21Å; L200-F538 HydrophobicContact CD2-CE1 3.94Å; L229-F538 HydrophobicContact CD1-CB 4.49Å; L230-F538 PolarHBondContact O-N 3.45Å; V232-F538 PolarHBondContact N-O 3.05Å; F538-I540 HydrophobicContact CD1-CG1 4.16Å; F538-I540 HydrophobicContact CE1-CG1 3.82Å; F538-G567 WeakPolarHBondContact CA-O 3.43Å
539M97.3Very high89.6Confident0 Ų022.2 Ų22.20%09%0.093CC..EExtended strand (participates in β ladder)trans-108120.7-180-171.5169.1-83.500110.9V232 R234 I479 G567 S568V232-M539 HydrophobicContact CB-CE 4.46Å; V232-M539 HydrophobicContact CG1-CE 4.32Å; V232-M539 CarbonylContact O-C 3.55Å; V232-M539 VanDerWaalsContact O-CA 3.3Å; V232-M539 WeakPolarHBondContact O-CA 3.41Å; R234-M539 PolarHBondContact NH1-SD 3.42Å; R234-M539 PolarHBondContact NH2-SD 3.44Å; I479-M539 HydrophobicContact CB-CE 4.47Å; I479-M539 HydrophobicContact CD1-CE 4.14Å; I479-M539 HydrophobicContact CG1-CE 4.3Å; M539-G567 PolarHBondContact N-O 3.29Å; M539-S568 VanDerWaalsContact O-CA 3.23Å; M539-S568 WeakPolarHBondContact O-CA 3.3Å; M539-S568 WeakPolarHBondContact O-CB 3.25Å; M539-S568 PolarHBondContact O-OG 3.04Å; M539-S568 VanDerWaalsContact O-OG 3.06Å
540I93.9Very high91.9Very high0 Ų015 Ų150%06%0.064CC..EExtended strand (participates in β ladder)trans-82.8119.2-179.1-50.9166.5000109.1F155 Y156 L200 I231 V232 R234 F538F155-I540 HydrophobicContact CB-CG2 4.14Å; F155-I540 HydrophobicContact CD1-CG2 3.99Å; F155-I540 HydrophobicContact CD2-CD1 4.42Å; F155-I540 HydrophobicContact CD2-CG2 3.66Å; F155-I540 HydrophobicContact CE1-CD1 4.45Å; F155-I540 HydrophobicContact CE1-CG2 4.25Å; F155-I540 HydrophobicContact CE2-CD1 3.65Å; F155-I540 HydrophobicContact CE2-CG2 3.96Å; F155-I540 HydrophobicContact CG-CG2 3.66Å; F155-I540 HydrophobicContact CZ-CD1 3.65Å; F155-I540 HydrophobicContact CZ-CG2 4.23Å; Y156-I540 PolarHBondContact OH-O 3.06Å; L200-I540 HydrophobicContact CD2-CD1 3.59Å; L200-I540 HydrophobicContact CD2-CG1 3.9Å; I231-I540 HydrophobicContact CG2-CD1 4.01Å; I231-I540 HydrophobicContact CG2-CG1 4.44Å; V232-I540 PolarHBondContact O-N 2.97Å; R234-I540 VanDerWaalsContact CB-O 3.31Å; R234-I540 WeakPolarHBondContact CB-O 3.34Å; R234-I540 PolarHBondContact N-O 2.7Å; R234-I540 VanDerWaalsContact N-O 3.08Å; F538-I540 HydrophobicContact CD1-CG1 4.16Å; F538-I540 HydrophobicContact CE1-CG1 3.82Å
541G91.4Very high94.2Very high0 Ų04 Ų40%02%0.023CC..THydrogen-bonded Turntrans92.336.7176.200000114.4L152 R234 S569L152-G541 WeakPolarHBondContact CD1-O 3.25Å; R234-G541 WeakPolarHBondContact CD-O 3.47Å; R234-G541 WeakPolarHBondContact CG-O 3.32Å; G541-S569 PolarHBondContact N-OG 3Å
542G96.3Very high95.9Very high0 Ų03.7 Ų3.70%02%0.019CC..  trans104133168.300000114.2R234 S568 H570R234-G542 WeakPolarHBondContact CD-O 3.44Å; R234-G542 PolarHBondContact NH1-O 3.17Å; G542-S568 VanDerWaalsContact C-OG 3.24Å; G542-S568 WeakPolarHBondContact CA-OG 3.35Å; G542-S568 PolarHBondContact N-OG 3.3Å; G542-H570 WeakPolarHBondContact CA-O 3.47Å
543V98.2Very high96.9Very high0 Ų05.2 Ų5.20%02%0.024CC..EExtended strand (participates in β ladder)trans-111.6134.9168.7660000110E547 M548 I566 S568 H570 I571 V572V543-E547 HydrophobicContact CG2-CB 3.64Å; V543-M548 HydrophobicContact CG1-CG 4.29Å; V543-M548 HydrophobicContact CG2-CG 4.27Å; V543-I566 HydrophobicContact CG2-CD1 3.56Å; V543-I566 HydrophobicContact CG2-CG1 3.95Å; V543-S568 PolarHBondContact N-OG 2.88Å; V543-H570 PolarHBondContact N-O 2.84Å; V543-H570 VanDerWaalsContact N-O 3.15Å; V543-I571 HydrophobicContact CG1-CD1 3.45Å; V543-I571 VanDerWaalsContact CG1-CD1 3.45Å; V543-V572 WeakPolarHBondContact O-CG2 3.35Å; V543-V572 PolarHBondContact O-N 3.06Å
544S98.3Very high97.2Very high7 Ų75.3 Ų5.35%0.0492%0.024CC..EExtended strand (participates in β ladder)trans-85.6161.2178.982.20000112.1S546 E547 M548S544-S546 VanDerWaalsContact C-N 3.25Å; S544-S546 PolarHBondContact O-N 2.76Å; S544-S546 PolarHBondContact OG-N 3.04Å; S544-S546 PolarHBondContact OG-OG 2.99Å; S544-E547 PolarHBondContact N-OE2 3.39Å; S544-E547 WeakPolarHBondContact O-CB 3.42Å; S544-E547 PolarHBondContact O-N 3.09Å; S544-E547 VanDerWaalsContact O-N 3.15Å; S544-E547 WeakPolarHBondContact OG-CG 3.34Å; S544-E547 PolarHBondContact OG-N 3.08Å; S544-E547 PolarHBondContact OG-OE2 2.83Å; S544-M548 WeakPolarHBondContact O-CG 3.37Å; S544-M548 PolarHBondContact O-N 2.79Å
545H98.6Very high97.2Very high10 Ų105.3 Ų5.35%0.0463%0.026CC..Hα-helixtrans-62.8-28.2176.5-68.593.7000113.7A250 Y253 R549A250-H545 HydrophobicContact CB-CB 3.61Å; Y253-H545 AromaticContact CD1-CE1 3.75Å; Y253-H545 AromaticContact CD1-NE2 3.81Å; Y253-H545 AromaticContact CG-CE1 3.68Å; Y253-H545 AromaticContact CG-NE2 3.73Å; H545-R549 WeakPolarHBondContact O-CB 3.46Å; H545-R549 PolarHBondContact O-N 2.57Å
546S97.9Very high97.1Very high2 Ų212 Ų121%0.0145%0.051CC..Hα-helixtrans-73.9-32.7175.154.30000112.4E245 S544 R549 S550E245-S546 VanDerWaalsContact OE1-CB 3.26Å; E245-S546 WeakPolarHBondContact OE1-CB 3.08Å; E245-S546 PolarHBondContact OE1-OG 3.03Å; S544-S546 VanDerWaalsContact C-N 3.25Å; S544-S546 PolarHBondContact O-N 2.76Å; S544-S546 PolarHBondContact OG-N 3.04Å; S544-S546 PolarHBondContact OG-OG 2.99Å; S546-R549 WeakPolarHBondContact O-CB 3.15Å; S546-S550 PolarHBondContact O-N 2.85Å; S546-S550 VanDerWaalsContact O-N 3.1Å; S546-S550 PolarHBondContact O-OG 2.89Å
547E98.6Very high96.8Very high0 Ų015.8 Ų15.80%08%0.083CC..Hα-helixtrans-70.9-40.8172.4-66.3174141.300111.4R234 P477 I479 V543 S544 R549 S550 A551 I566R234-E547 IonicContact CZ-OE1 3.91Å; R234-E547 IonicContact CZ-OE2 3.12Å; R234-E547 IonicContact NH1-OE1 2.75Å; R234-E547 PolarHBondContact NH1-OE1 3.2Å; R234-E547 IonicContact NH1-OE2 3.53Å; R234-E547 PolarHBondContact NH1-OE2 3.37Å; R234-E547 IonicContact NH2-OE1 2.72Å; R234-E547 PolarHBondContact NH2-OE1 3.38Å; R234-E547 IonicContact NH2-OE2 2.56Å; P477-E547 HydrophobicContact CB-CG 3.94Å; P477-E547 HydrophobicContact CG-CG 4.47Å; I479-E547 HydrophobicContact CG2-CB 3.92Å; I479-E547 HydrophobicContact CG2-CG 3.78Å; V543-E547 HydrophobicContact CG2-CB 3.64Å; S544-E547 PolarHBondContact N-OE2 3.39Å; S544-E547 WeakPolarHBondContact O-CB 3.42Å; S544-E547 PolarHBondContact O-N 3.09Å; S544-E547 VanDerWaalsContact O-N 3.15Å; S544-E547 WeakPolarHBondContact OG-CG 3.34Å; S544-E547 PolarHBondContact OG-N 3.08Å; S544-E547 PolarHBondContact OG-OE2 2.83Å; E547-R549 PolarHBondContact O-N 3Å; E547-S550 WeakPolarHBondContact O-CB 3.46Å; E547-S550 PolarHBondContact O-N 3.21Å; E547-S550 VanDerWaalsContact O-N 3.16Å; E547-A551 PolarHBondContact O-N 3.31Å; E547-I566 HydrophobicContact CB-CD1 4.08Å
548M98.6Very high96.5Very high0 Ų017 Ų170%09%0.09CC..Hα-helixtrans-55.7-50.5170.3-69165.655.200111.2Y139 E140 V143 V543 S544 S550 A551 Y552 I571Y139-M548 HydrophobicContact CD1-CE 3.95Å; Y139-M548 HydrophobicContact CE1-CE 3.74Å; E140-M548 HydrophobicContact CG-CE 4.32Å; V143-M548 HydrophobicContact CB-CE 4.31Å; V143-M548 HydrophobicContact CG1-CE 4.03Å; V143-M548 HydrophobicContact CG1-CG 3.94Å; V143-M548 HydrophobicContact CG1-SD 4.21Å; V143-M548 HydrophobicContact CG2-CB 4Å; V143-M548 HydrophobicContact CG2-CE 3.92Å; V143-M548 HydrophobicContact CG2-CG 3.9Å; V543-M548 HydrophobicContact CG1-CG 4.29Å; V543-M548 HydrophobicContact CG2-CG 4.27Å; S544-M548 WeakPolarHBondContact O-CG 3.37Å; S544-M548 PolarHBondContact O-N 2.79Å; M548-S550 PolarHBondContact O-N 3.26Å; M548-A551 WeakPolarHBondContact O-CB 3.43Å; M548-A551 PolarHBondContact O-N 2.96Å; M548-A551 VanDerWaalsContact O-N 3.12Å; M548-Y552 VanDerWaalsContact O-CD2 3.29Å; M548-Y552 WeakPolarHBondContact O-CD2 3.4Å; M548-I571 HydrophobicContact SD-CD1 4.07Å; M548-I571 HydrophobicContact SD-CG2 3.77Å
549R98.3Very high96Very high20 Ų2023.5 Ų23.58%0.07513%0.125CC..Hα-helixtrans-53.2-41.8175.8-177.7-172.176.6-138.7-3.2112E245 T247 H292 H545 S546 E547 A551 Y552 E553E245-R549 IonicContact OE2-CZ 3.79Å; E245-R549 IonicContact OE2-NH1 3.48Å; E245-R549 PolarHBondContact OE2-NH1 3.25Å; E245-R549 IonicContact OE2-NH2 3.81Å; T247-R549 PolarHBondContact OG1-NH1 3.3Å; H292-R549 HydrophobicContact CB-CG 3.95Å; H545-R549 WeakPolarHBondContact O-CB 3.46Å; H545-R549 PolarHBondContact O-N 2.57Å; S546-R549 WeakPolarHBondContact O-CB 3.15Å; E547-R549 PolarHBondContact O-N 3Å; R549-A551 VanDerWaalsContact C-N 3.28Å; R549-A551 PolarHBondContact O-N 3.17Å; R549-Y552 PolarHBondContact O-N 3.43Å; R549-Y552 VanDerWaalsContact O-N 3.15Å; R549-E553 VanDerWaalsContact CD-OE1 3.23Å; R549-E553 WeakPolarHBondContact CD-OE1 3.41Å; R549-E553 HydrophobicContact CG-CG 4.33Å; R549-E553 WeakPolarHBondContact CG-OE1 3.29Å; R549-E553 IonicContact CZ-OE1 3.89Å; R549-E553 IonicContact NE-OE1 2.82Å; R549-E553 PolarHBondContact NE-OE1 3.23Å; R549-E553 PolarHBondContact O-N 3.21Å
550S97.8Very high95.3Very high0 Ų025 Ų250%014%0.14CC..Hα-helixtrans-60.3-36-178.6-59.80000112.4S546 E547 M548 Y552 E553 V554S546-S550 PolarHBondContact O-N 2.85Å; S546-S550 VanDerWaalsContact O-N 3.1Å; S546-S550 PolarHBondContact O-OG 2.89Å; E547-S550 WeakPolarHBondContact O-CB 3.46Å; E547-S550 PolarHBondContact O-N 3.21Å; E547-S550 VanDerWaalsContact O-N 3.16Å; M548-S550 PolarHBondContact O-N 3.26Å; S550-Y552 PolarHBondContact O-N 3.45Å; S550-E553 PolarHBondContact O-N 3.4Å; S550-V554 VanDerWaalsContact O-CG2 3.32Å; S550-V554 WeakPolarHBondContact O-CG2 3.28Å; S550-V554 PolarHBondContact O-N 3.34Å
551A98.1Very high95Very high0 Ų031.6 Ų31.60%017%0.169CC..Hα-helixtrans-61.7-42.7175.600000112.3M483 E547 M548 R549 T555 V564 I566M483-A551 HydrophobicContact CE-CB 4.01Å; E547-A551 PolarHBondContact O-N 3.31Å; M548-A551 WeakPolarHBondContact O-CB 3.43Å; M548-A551 PolarHBondContact O-N 2.96Å; M548-A551 VanDerWaalsContact O-N 3.12Å; R549-A551 VanDerWaalsContact C-N 3.28Å; R549-A551 PolarHBondContact O-N 3.17Å; A551-T555 WeakPolarHBondContact O-CB 3.47Å; A551-T555 PolarHBondContact O-N 2.8Å; A551-T555 PolarHBondContact O-OG1 3.44Å; A551-V564 HydrophobicContact CB-CB 4.14Å; A551-V564 HydrophobicContact CB-CG1 3.8Å; A551-I566 HydrophobicContact CB-CB 4.12Å; A551-I566 HydrophobicContact CB-CG2 3.63Å
552Y97.4Very high95.1Very high12 Ų1232.1 Ų32.15%0.04717%0.171CC..Hα-helixtrans-67.5-42.1175-67-85.6000112.2E140 S141 Q142 V143 R291 H292 M548 R549 S550 T555 R556E140-Y552 WeakPolarHBondContact CB-OH 3.39Å; E140-Y552 WeakPolarHBondContact OE2-CE2 3.29Å; E140-Y552 PolarHBondContact OE2-OH 2.99Å; S141-Y552 PolarHBondContact OG-OH 2.94Å; Q142-Y552 HydrophobicContact CB-CD1 4.3Å; Q142-Y552 HydrophobicContact CB-CE1 3.67Å; Q142-Y552 HydrophobicContact CB-CE2 4.23Å; Q142-Y552 HydrophobicContact CG-CD1 4.07Å; Q142-Y552 HydrophobicContact CG-CE1 3.58Å; Q142-Y552 PolarHBondContact N-OH 2.95Å; V143-Y552 HydrophobicContact CG2-CE2 3.97Å; R291-Y552 PolarHBondContact NH2-OH 3.39Å; H292-Y552 AromaticContact CD2-CD2 3.86Å; H292-Y552 AromaticContact CD2-CG 3.92Å; H292-Y552 AromaticContact CE1-CD2 3.86Å; H292-Y552 AromaticContact NE2-CD2 3.11Å; H292-Y552 WeakPolarHBondContact NE2-CD2 3.41Å; H292-Y552 AromaticContact NE2-CE2 3.38Å; H292-Y552 WeakPolarHBondContact NE2-CE2 3.39Å; H292-Y552 AromaticContact NE2-CG 3.59Å; M548-Y552 VanDerWaalsContact O-CD2 3.29Å; M548-Y552 WeakPolarHBondContact O-CD2 3.4Å; R549-Y552 PolarHBondContact O-N 3.43Å; R549-Y552 VanDerWaalsContact O-N 3.15Å; S550-Y552 PolarHBondContact O-N 3.45Å; Y552-T555 PolarHBondContact O-N 3.08Å; Y552-R556 WeakPolarHBondContact O-CB 3.43Å; Y552-R556 VanDerWaalsContact O-CG 3.3Å; Y552-R556 WeakPolarHBondContact O-CG 3.26Å; Y552-R556 PolarHBondContact O-N 3.04Å
553E96.4Very high95Very high42 Ų4232.5 Ų32.520%0.19617%0.173CC..Hα-helixtrans-58.3-49.2177-73.6175.4-167.800111.6K480 R549 S550 R556 A557K480-E553 WeakPolarHBondContact CE-OE2 3.46Å; K480-E553 IonicContact NZ-OE2 3.64Å; K480-E553 PolarHBondContact NZ-OE2 3.01Å; R549-E553 VanDerWaalsContact CD-OE1 3.23Å; R549-E553 WeakPolarHBondContact CD-OE1 3.41Å; R549-E553 HydrophobicContact CG-CG 4.33Å; R549-E553 WeakPolarHBondContact CG-OE1 3.29Å; R549-E553 IonicContact CZ-OE1 3.89Å; R549-E553 IonicContact NE-OE1 2.82Å; R549-E553 PolarHBondContact NE-OE1 3.23Å; R549-E553 PolarHBondContact O-N 3.21Å; S550-E553 PolarHBondContact O-N 3.4Å; E553-R556 PolarHBondContact O-N 2.99Å; E553-A557 WeakPolarHBondContact O-CB 3.33Å; E553-A557 PolarHBondContact O-N 3.11Å
554V96.5Very high95Very high5 Ų532.5 Ų32.53%0.0317%0.173CC..Hα-helixtrans-66.5-41.6-179.8175.80000111.1K480 M483 E484 I487 S550 R556 A557 T558 V564K480-V554 HydrophobicContact CG-CG2 3.82Å; M483-V554 HydrophobicContact CB-CB 4.37Å; M483-V554 HydrophobicContact CB-CG1 4.1Å; M483-V554 HydrophobicContact CB-CG2 3.96Å; M483-V554 HydrophobicContact SD-CG2 4.12Å; E484-V554 HydrophobicContact CG-CG2 4.16Å; I487-V554 HydrophobicContact CD1-CG1 3.33Å; S550-V554 VanDerWaalsContact O-CG2 3.32Å; S550-V554 WeakPolarHBondContact O-CG2 3.28Å; S550-V554 PolarHBondContact O-N 3.34Å; V554-R556 PolarHBondContact O-N 3.47Å; V554-A557 PolarHBondContact O-N 2.98Å; V554-T558 WeakPolarHBondContact O-CG2 3.46Å; V554-T558 PolarHBondContact O-N 3.47Å; V554-V564 HydrophobicContact CB-CG2 4.18Å; V554-V564 HydrophobicContact CG1-CG2 3.85Å
555T95.4Very high95Very high13 Ų1332.2 Ų32.28%0.0817%0.171CC..Hα-helixtrans-58.5-47.3175.4-61.70000111.4Q142 A551 Y552 A557 T558 G560 V564Q142-T555 PolarHBondContact NE2-OG1 3.32Å; A551-T555 WeakPolarHBondContact O-CB 3.47Å; A551-T555 PolarHBondContact O-N 2.8Å; A551-T555 PolarHBondContact O-OG1 3.44Å; Y552-T555 PolarHBondContact O-N 3.08Å; T555-A557 PolarHBondContact O-N 2.97Å; T555-T558 PolarHBondContact O-N 3.41Å; T555-T558 PolarHBondContact O-OG1 2.94Å; T555-G560 PolarHBondContact O-N 3.41Å; T555-V564 WeakPolarHBondContact OG1-CB 3.43Å; T555-V564 PolarHBondContact OG1-N 2.86Å
556R94.3Very high95Very high140 Ų14031.7 Ų31.753%0.52817%0.168SC..Hα-helixtrans-62.8-40.5175.8-72.3-173.6-56.8-123.71.9112.3Y552 E553 V554 T558 D559Y552-R556 WeakPolarHBondContact O-CB 3.43Å; Y552-R556 VanDerWaalsContact O-CG 3.3Å; Y552-R556 WeakPolarHBondContact O-CG 3.26Å; Y552-R556 PolarHBondContact O-N 3.04Å; E553-R556 PolarHBondContact O-N 2.99Å; V554-R556 PolarHBondContact O-N 3.47Å; R556-T558 PolarHBondContact O-N 3.12Å; R556-D559 PolarHBondContact O-N 3.27Å
557A93.3Very high95Very high81 Ų8131.6 Ų31.667%0.66917%0.168SC*.Hα-helixtrans-63.4-20.5179.100000113.4E553 V554 T555E553-A557 WeakPolarHBondContact O-CB 3.33Å; E553-A557 PolarHBondContact O-N 3.11Å; V554-A557 PolarHBondContact O-N 2.98Å; T555-A557 PolarHBondContact O-N 2.97Å
558T91.3Very high95Very high25 Ų2531.6 Ų31.615%0.15317%0.168CC..THydrogen-bonded Turntrans-92.97.2173.871.10000114I487 V554 T555 R556 G560 K561 W562I487-T558 HydrophobicContact CD1-CG2 4.26Å; I487-T558 HydrophobicContact CG2-CG2 4.09Å; V554-T558 WeakPolarHBondContact O-CG2 3.46Å; V554-T558 PolarHBondContact O-N 3.47Å; T555-T558 PolarHBondContact O-N 3.41Å; T555-T558 PolarHBondContact O-OG1 2.94Å; R556-T558 PolarHBondContact O-N 3.12Å; T558-G560 PolarHBondContact O-N 3.32Å; T558-K561 VanDerWaalsContact O-CB 3.25Å; T558-K561 WeakPolarHBondContact O-CB 3.42Å; T558-K561 WeakPolarHBondContact O-CD 3.38Å; T558-K561 WeakPolarHBondContact O-CG 3.27Å; T558-K561 PolarHBondContact O-N 3.35Å; T558-K561 PolarHBondContact OG1-N 3.28Å; T558-W562 HydrophobicContact CG2-CB 4.22Å; T558-W562 PolarHBondContact OG1-N 2.82Å; T558-W562 VanDerWaalsContact OG1-N 3.12Å; T558-W562 PolarHBondContact OG1-O 3.15Å
559D88.3Confident94.8Very high136 Ų13631.6 Ų31.673%0.72717%0.168SC*.THydrogen-bonded Turntrans54.231-170.4-55.2-52.5000112.9R556 K561R556-D559 PolarHBondContact O-N 3.27Å; D559-K561 VanDerWaalsContact C-N 3.26Å; D559-K561 PolarHBondContact O-N 3.24Å
560G82.1Confident94.7Very high32 Ų3231.3 Ų31.333%0.3317%0.167SC..THydrogen-bonded Turntrans71.713.5-17600000114.9T555 T558 W562T555-G560 PolarHBondContact O-N 3.41Å; T558-G560 PolarHBondContact O-N 3.32Å; G560-W562 VanDerWaalsContact C-N 3.26Å
561K88.5Confident94.6Very high139 Ų13932.9 Ų32.960%0.60418%0.175SC*.SBendtrans-67.4-30171.8-68.6169.5-172154.70112.1G532 P533 T558 D559G532-K561 WeakPolarHBondContact CA-O 3.35Å; P533-K561 WeakPolarHBondContact CD-O 3.37Å; T558-K561 VanDerWaalsContact O-CB 3.25Å; T558-K561 WeakPolarHBondContact O-CB 3.42Å; T558-K561 WeakPolarHBondContact O-CD 3.38Å; T558-K561 WeakPolarHBondContact O-CG 3.27Å; T558-K561 PolarHBondContact O-N 3.35Å; T558-K561 PolarHBondContact OG1-N 3.28Å; D559-K561 VanDerWaalsContact C-N 3.26Å; D559-K561 PolarHBondContact O-N 3.24Å
562W92.6Very high94.6Very high11 Ų1133 Ų334%0.04218%0.176CC..SBendtrans-120.6141.2167.9-81.778.7000109R226 I487 T507 P533 L535 T558 G560R226-W562 WeakPolarHBondContact O-CH2 3.04Å; I487-W562 HydrophobicContact CB-CD2 4.36Å; I487-W562 HydrophobicContact CB-CG 4.43Å; I487-W562 HydrophobicContact CD1-CB 3.97Å; I487-W562 HydrophobicContact CD1-CG 4.3Å; I487-W562 HydrophobicContact CG1-CB 4.19Å; I487-W562 HydrophobicContact CG1-CD2 3.87Å; I487-W562 HydrophobicContact CG1-CE3 3.94Å; I487-W562 HydrophobicContact CG1-CG 4Å; I487-W562 HydrophobicContact CG2-CB 4.32Å; I487-W562 HydrophobicContact CG2-CD2 4.04Å; I487-W562 HydrophobicContact CG2-CG 3.73Å; T507-W562 HydrophobicContact CG2-CH2 4.1Å; T507-W562 HydrophobicContact CG2-CZ2 3.92Å; P533-W562 HydrophobicContact CB-CD2 3.89Å; P533-W562 HydrophobicContact CB-CE3 3.79Å; P533-W562 HydrophobicContact CB-CH2 3.73Å; P533-W562 HydrophobicContact CB-CZ2 3.83Å; P533-W562 HydrophobicContact CB-CZ3 3.71Å; P533-W562 HydrophobicContact CG-CD2 4.44Å; P533-W562 HydrophobicContact CG-CZ2 4.18Å; P533-W562 WeakPolarHBondContact O-CA 3.45Å; L535-W562 HydrophobicContact CB-CE3 4.15Å; L535-W562 HydrophobicContact CB-CZ3 4.26Å; T558-W562 HydrophobicContact CG2-CB 4.22Å; T558-W562 PolarHBondContact OG1-N 2.82Å; T558-W562 VanDerWaalsContact OG1-N 3.12Å; T558-W562 PolarHBondContact OG1-O 3.15Å; G560-W562 VanDerWaalsContact C-N 3.26Å
563E94.8Very high94.6Very high7 Ų733.8 Ų33.83%0.03318%0.182CC..EExtended strand (participates in β ladder)trans-109.2118.7172.7176.8176.2-141.200108.8P533 R534 L535 L565P533-E563 PolarHBondContact O-N 2.9Å; P533-E563 VanDerWaalsContact O-N 3.11Å; R534-E563 CarbonylContact C-O 3.6Å; R534-E563 VanDerWaalsContact CA-O 3.29Å; R534-E563 WeakPolarHBondContact CA-O 3.46Å; R534-E563 HydrophobicContact CG-CB 4.24Å; R534-E563 IonicContact CZ-OE2 2.66Å; R534-E563 IonicContact NE-OE2 2.73Å; R534-E563 PolarHBondContact NE-OE2 3.22Å; R534-E563 IonicContact NH2-OE2 2.73Å; R534-E563 PolarHBondContact NH2-OE2 3.32Å; L535-E563 PolarHBondContact N-O 3.02Å; E563-L565 HydrophobicContact CG-CD2 4.14Å; E563-L565 HydrophobicContact CG-CG 4.47Å
564V97.6Very high94.7Very high0 Ų032.5 Ų32.50%018%0.177CC..EExtended strand (participates in β ladder)trans-94.7122.5176.5-173.50000108.9Q142 M483 I487 L535 I537 A551 V554 T555Q142-V564 PolarHBondContact NE2-O 3.12Å; M483-V564 HydrophobicContact CE-CG1 4.1Å; M483-V564 HydrophobicContact CG-CG1 4.07Å; M483-V564 HydrophobicContact SD-CG1 4.1Å; I487-V564 HydrophobicContact CD1-CG2 3.86Å; L535-V564 HydrophobicContact CB-CG2 4.34Å; L535-V564 HydrophobicContact CD2-CG1 4.38Å; L535-V564 HydrophobicContact CD2-CG2 4.4Å; L535-V564 CarbonylContact O-C 3.49Å; L535-V564 VanDerWaalsContact O-CA 3.32Å; L535-V564 WeakPolarHBondContact O-CA 3.47Å; I537-V564 HydrophobicContact CD1-CG1 4.22Å; A551-V564 HydrophobicContact CB-CB 4.14Å; A551-V564 HydrophobicContact CB-CG1 3.8Å; V554-V564 HydrophobicContact CB-CG2 4.18Å; V554-V564 HydrophobicContact CG1-CG2 3.85Å; T555-V564 WeakPolarHBondContact OG1-CB 3.43Å; T555-V564 PolarHBondContact OG1-N 2.86Å
565L98.3Very high94.7Very high1 Ų135 Ų351%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-109.3129.8170.8-58.4-179.4000108.3L6 Q142 L182 L535 I536 I537 E563L6-L565 HydrophobicContact CD1-CD1 4.45Å; L6-L565 HydrophobicContact CD1-CD2 4Å; L6-L565 HydrophobicContact CD2-CD1 4.16Å; L6-L565 HydrophobicContact CG-CD1 4.48Å; L6-L565 HydrophobicContact CG-CD2 4.18Å; Q142-L565 HydrophobicContact CB-CD2 4.09Å; Q142-L565 HydrophobicContact CG-CD2 4.34Å; Q142-L565 WeakPolarHBondContact O-CA 3.5Å; L182-L565 HydrophobicContact CD1-CD1 3.38Å; L535-L565 PolarHBondContact O-N 3.2Å; I536-L565 CarbonylContact C-O 3.57Å; I536-L565 WeakPolarHBondContact CA-O 3.4Å; I537-L565 PolarHBondContact N-O 3.1Å; E563-L565 HydrophobicContact CG-CD2 4.14Å; E563-L565 HydrophobicContact CG-CG 4.47Å
566I98.6Very high94.7Very high0 Ų036 Ų360%020%0.2CC..EExtended strand (participates in β ladder)trans-120.9138.6176.7-170.4170000110Q142 V143 F144 M483 I537 V543 E547 A551Q142-I566 PolarHBondContact O-N 2.71Å; V143-I566 VanDerWaalsContact CA-O 3.23Å; V143-I566 WeakPolarHBondContact CA-O 3.2Å; V143-I566 HydrophobicContact CG2-CG2 4.05Å; F144-I566 WeakPolarHBondContact CD1-O 3.28Å; F144-I566 PolarHBondContact N-O 3.45Å; F144-I566 VanDerWaalsContact N-O 3.07Å; M483-I566 HydrophobicContact CE-CB 4.5Å; M483-I566 HydrophobicContact CE-CD1 3.75Å; I537-I566 HydrophobicContact CB-CB 4.48Å; I537-I566 HydrophobicContact CB-CG1 4.15Å; I537-I566 HydrophobicContact CG2-CD1 4.4Å; I537-I566 HydrophobicContact CG2-CG1 4.12Å; I537-I566 CarbonylContact O-C 3.5Å; I537-I566 WeakPolarHBondContact O-CA 3.46Å; V543-I566 HydrophobicContact CG2-CD1 3.56Å; V543-I566 HydrophobicContact CG2-CG1 3.95Å; E547-I566 HydrophobicContact CB-CD1 4.08Å; A551-I566 HydrophobicContact CB-CB 4.12Å; A551-I566 HydrophobicContact CB-CG2 3.63Å
567G98.2Very high94.8Very high0 Ų029.3 Ų29.30%018%0.175CC..EExtended strand (participates in β ladder)trans-155.8174.7175.600000112.5F144 I537 F538 M539F144-G567 VanDerWaalsContact CE1-N 3.31Å; F144-G567 WeakPolarHBondContact O-CA 3.43Å; I537-G567 PolarHBondContact O-N 3.23Å; F538-G567 WeakPolarHBondContact CA-O 3.43Å; M539-G567 PolarHBondContact N-O 3.29Å
568S98.1Very high95Very high0 Ų025.4 Ų25.40%014%0.143CC..EExtended strand (participates in β ladder)trans-158.7173.2-171.3164.40000109.4F144 S145 L146 M539 G542 V543 H570F144-S568 PolarHBondContact O-N 3.12Å; S145-S568 WeakPolarHBondContact CA-O 3.49Å; L146-S568 PolarHBondContact N-O 3.19Å; M539-S568 VanDerWaalsContact O-CA 3.23Å; M539-S568 WeakPolarHBondContact O-CA 3.3Å; M539-S568 WeakPolarHBondContact O-CB 3.25Å; M539-S568 PolarHBondContact O-OG 3.04Å; M539-S568 VanDerWaalsContact O-OG 3.06Å; G542-S568 VanDerWaalsContact C-OG 3.24Å; G542-S568 WeakPolarHBondContact CA-OG 3.35Å; G542-S568 PolarHBondContact N-OG 3.3Å; V543-S568 PolarHBondContact N-OG 2.88Å; S568-H570 VanDerWaalsContact CB-O 3.32Å; S568-H570 WeakPolarHBondContact CB-O 3.41Å; S568-H570 PolarHBondContact O-N 3.37Å; S568-H570 PolarHBondContact OG-N 3.35Å; S568-H570 PolarHBondContact OG-O 2.95Å
569S94.4Very high95.3Very high0 Ų026.9 Ų26.90%015%0.149CC..SBendtrans-54.4-39.8165.756.90000112S145 D147 D148 S151 G541S145-S569 PolarHBondContact OG-O 3.46Å; D147-S569 PolarHBondContact N-O 3.38Å; D148-S569 PolarHBondContact N-O 2.92Å; D148-S569 VanDerWaalsContact O-CB 3.29Å; D148-S569 WeakPolarHBondContact O-CB 3.22Å; S151-S569 VanDerWaalsContact CB-CB 3.49Å; G541-S569 PolarHBondContact N-OG 3Å
570H96Very high95.6Very high13 Ų1322 Ų226%0.0612%0.123CC..SBendtrans-157.9168.9175.955.8-86.2000111.3D148 P149 G542 V543 S568 V572 D580D148-H570 PolarHBondContact O-ND1 3.45Å; D148-H570 VanDerWaalsContact O-ND1 3.15Å; P149-H570 WeakPolarHBondContact CA-ND1 2.98Å; P149-H570 HydrophobicContact CG-CB 4.42Å; G542-H570 WeakPolarHBondContact CA-O 3.47Å; V543-H570 PolarHBondContact N-O 2.84Å; V543-H570 VanDerWaalsContact N-O 3.15Å; S568-H570 VanDerWaalsContact CB-O 3.32Å; S568-H570 WeakPolarHBondContact CB-O 3.41Å; S568-H570 PolarHBondContact O-N 3.37Å; S568-H570 PolarHBondContact OG-N 3.35Å; S568-H570 PolarHBondContact OG-O 2.95Å; H570-V572 VanDerWaalsContact CD2-CG1 3.44Å; H570-V572 WeakPolarHBondContact CD2-CG1 3.03Å; H570-V572 WeakPolarHBondContact NE2-CG1 3.24Å; H570-D580 IonicContact NE2-OD2 3.96Å
571I97.4Very high96.2Very high33 Ų3320.4 Ų20.417%0.16911%0.108CC..EExtended strand (participates in β ladder)trans-91.7136.4173.8-49.7-55.4000108.9Y139 V143 V543 M548Y139-I571 HydrophobicContact CD1-CD1 4.26Å; Y139-I571 HydrophobicContact CD1-CG1 4.06Å; Y139-I571 HydrophobicContact CE1-CG1 4.02Å; Y139-I571 HydrophobicContact CG-CG1 4.37Å; V143-I571 HydrophobicContact CG1-CD1 3.94Å; V543-I571 HydrophobicContact CG1-CD1 3.45Å; V543-I571 VanDerWaalsContact CG1-CD1 3.45Å; M548-I571 HydrophobicContact SD-CD1 4.07Å; M548-I571 HydrophobicContact SD-CG2 3.77Å
572V96.8Very high96.5Very high2 Ų217.3 Ų17.31%0.0129%0.094CC..EExtended strand (participates in β ladder)trans-113.5140.1-178.9-64.50000113.2P241 V543 H570 F577P241-V572 HydrophobicContact CB-CG2 4.24Å; V543-V572 WeakPolarHBondContact O-CG2 3.35Å; V543-V572 PolarHBondContact O-N 3.06Å; H570-V572 VanDerWaalsContact CD2-CG1 3.44Å; H570-V572 WeakPolarHBondContact CD2-CG1 3.03Å; H570-V572 WeakPolarHBondContact NE2-CG1 3.24Å; V572-F577 HydrophobicContact CB-CB 4.24Å; V572-F577 HydrophobicContact CG1-CB 4.48Å
573T97.6Very high96.4Very high30 Ų3022 Ų2218%0.18412%0.115CC..  trans-99.1158.3156.171.20000109.6Y253 T575 S576 F577Y253-T573 WeakPolarHBondContact O-CG2 3.46Å; T573-T575 PolarHBondContact O-N 3.11Å; T573-S576 PolarHBondContact N-OG 3.22Å; T573-S576 PolarHBondContact O-N 2.94Å; T573-S576 VanDerWaalsContact O-N 3.09Å; T573-S576 PolarHBondContact O-OG 2.91Å; T573-S576 PolarHBondContact OG1-N 3.13Å; T573-S576 VanDerWaalsContact OG1-N 3.16Å; T573-S576 PolarHBondContact OG1-OG 3.02Å; T573-F577 PolarHBondContact O-N 3.26Å
574P97.7Very high96.3Very high14 Ų1421.7 Ų21.79%0.09111%0.113CC..Hα-helixtrans-51.2-45.1176.7-28.736.5000112.6P241 D254 F577 L578P241-P574 VanDerWaalsContact O-CA 3.26Å; P241-P574 WeakPolarHBondContact O-CA 3.48Å; P241-P574 WeakPolarHBondContact O-CG 3.4Å; D254-P574 HydrophobicContact CB-CG 4.45Å; D254-P574 WeakPolarHBondContact OD1-CD 3.45Å; D254-P574 WeakPolarHBondContact OD1-CG 3.44Å; P574-F577 PolarHBondContact O-N 2.86Å; P574-L578 VanDerWaalsContact O-CG 3.27Å; P574-L578 WeakPolarHBondContact O-CG 3.46Å; P574-L578 PolarHBondContact O-N 3.35Å
575T96.8Very high95.9Very high58 Ų5824.5 Ų24.536%0.35613%0.128SC..Hα-helixtrans-63.8-45.3177.9-62.50000112.7Y400 T573 F577 L578 N579Y400-T575 HydrophobicContact CD2-CG2 4.15Å; Y400-T575 HydrophobicContact CE2-CG2 4.13Å; T573-T575 PolarHBondContact O-N 3.11Å; T575-F577 PolarHBondContact O-N 3.19Å; T575-L578 PolarHBondContact O-N 2.98Å; T575-N579 VanDerWaalsContact O-CG 3.25Å; T575-N579 PolarHBondContact O-N 3.49Å; T575-N579 PolarHBondContact O-ND2 3.1Å; T575-N579 VanDerWaalsContact O-ND2 3.12Å
576S96.1Very high95.2Very high33 Ų3328.9 Ų28.923%0.23115%0.151CC..Hα-helixtrans-62.8-42.1177.563.90000112T573 L578 N579 D580T573-S576 PolarHBondContact N-OG 3.22Å; T573-S576 PolarHBondContact O-N 2.94Å; T573-S576 VanDerWaalsContact O-N 3.09Å; T573-S576 PolarHBondContact O-OG 2.91Å; T573-S576 PolarHBondContact OG1-N 3.13Å; T573-S576 VanDerWaalsContact OG1-N 3.16Å; T573-S576 PolarHBondContact OG1-OG 3.02Å; S576-L578 PolarHBondContact O-N 3.27Å; S576-N579 WeakPolarHBondContact O-CB 3.07Å; S576-N579 PolarHBondContact O-N 3.26Å; S576-N579 VanDerWaalsContact O-N 3.11Å; S576-D580 VanDerWaalsContact O-CG 3.28Å; S576-D580 PolarHBondContact O-N 3.22Å
577F97.4Very high94.1Very high0 Ų034.7 Ų34.70%018%0.182CC..Hα-helixtrans-64-43.5179.3-178.8-119.2000112L152 R234 P241 I242 L441 L444 V572 T573 P574 T575 N579 D580 L581L152-F577 HydrophobicContact CD1-CD2 4.11Å; L152-F577 HydrophobicContact CD1-CE2 4.03Å; R234-F577 HydrophobicContact CG-CE2 3.68Å; R234-F577 HydrophobicContact CG-CZ 3.95Å; P241-F577 HydrophobicContact CB-CD1 3.92Å; P241-F577 HydrophobicContact CB-CE1 4.22Å; P241-F577 HydrophobicContact CB-CG 4.2Å; P241-F577 HydrophobicContact CG-CD1 3.98Å; P241-F577 HydrophobicContact CG-CE1 3.76Å; P241-F577 HydrophobicContact CG-CZ 4.21Å; I242-F577 HydrophobicContact CG2-CD1 3.83Å; I242-F577 HydrophobicContact CG2-CE1 4.01Å; L441-F577 HydrophobicContact CD2-CZ 4.44Å; L444-F577 HydrophobicContact CD2-CE2 4.27Å; L444-F577 HydrophobicContact CD2-CZ 4.01Å; V572-F577 HydrophobicContact CB-CB 4.24Å; V572-F577 HydrophobicContact CG1-CB 4.48Å; T573-F577 PolarHBondContact O-N 3.26Å; P574-F577 PolarHBondContact O-N 2.86Å; T575-F577 PolarHBondContact O-N 3.19Å; F577-N579 VanDerWaalsContact C-N 3.29Å; F577-N579 PolarHBondContact O-N 2.82Å; F577-D580 PolarHBondContact O-N 3.37Å; F577-L581 HydrophobicContact CD1-CD1 4.03Å; F577-L581 HydrophobicContact CE1-CD1 3.65Å; F577-L581 HydrophobicContact CE1-CG 4.44Å; F577-L581 HydrophobicContact CE2-CD1 4.41Å; F577-L581 HydrophobicContact CE2-CG 4.35Å; F577-L581 HydrophobicContact CZ-CD1 3.87Å; F577-L581 HydrophobicContact CZ-CD2 4.38Å; F577-L581 HydrophobicContact CZ-CG 4.24Å; F577-L581 WeakPolarHBondContact O-CG 3.33Å; F577-L581 PolarHBondContact O-N 2.68Å
578L97.5Very high92.4Very high0 Ų037.5 Ų37.50%020%0.201CC..Hα-helixtrans-64.4-34.2174.5-64.6176.7000112.1I242 Y400 I403 R404 L407 I437 P574 T575 S576 L581 K582I242-L578 HydrophobicContact CG2-CD2 4.32Å; Y400-L578 HydrophobicContact CD2-CB 3.98Å; Y400-L578 HydrophobicContact CD2-CD1 3.74Å; Y400-L578 HydrophobicContact CE2-CB 3.95Å; Y400-L578 HydrophobicContact CG-CD1 4.09Å; I403-L578 HydrophobicContact CG2-CD2 4.24Å; R404-L578 HydrophobicContact CG-CD1 3.93Å; L407-L578 HydrophobicContact CD1-CD2 4.02Å; I437-L578 HydrophobicContact CD1-CB 4.44Å; I437-L578 HydrophobicContact CG2-CB 4.22Å; I437-L578 HydrophobicContact CG2-CD2 3.67Å; P574-L578 VanDerWaalsContact O-CG 3.27Å; P574-L578 WeakPolarHBondContact O-CG 3.46Å; P574-L578 PolarHBondContact O-N 3.35Å; T575-L578 PolarHBondContact O-N 2.98Å; S576-L578 PolarHBondContact O-N 3.27Å; L578-L581 HydrophobicContact CD2-CD1 4.35Å; L578-K582 WeakPolarHBondContact O-CB 3.27Å; L578-K582 PolarHBondContact O-N 2.96Å
579N95.9Very high90.3Very high55 Ų5542.5 Ų42.529%0.29423%0.231SC..Hα-helixtrans-67.7-38174.2-73.8-33.6000112.6Y400 T575 S576 F577 K582 K583Y400-N579 WeakPolarHBondContact CE2-OD1 3.49Å; Y400-N579 PolarHBondContact OH-OD1 3.35Å; T575-N579 VanDerWaalsContact O-CG 3.25Å; T575-N579 PolarHBondContact O-N 3.49Å; T575-N579 PolarHBondContact O-ND2 3.1Å; T575-N579 VanDerWaalsContact O-ND2 3.12Å; S576-N579 WeakPolarHBondContact O-CB 3.07Å; S576-N579 PolarHBondContact O-N 3.26Å; S576-N579 VanDerWaalsContact O-N 3.11Å; F577-N579 VanDerWaalsContact C-N 3.29Å; F577-N579 PolarHBondContact O-N 2.82Å; N579-K582 WeakPolarHBondContact O-CB 3.4Å; N579-K582 PolarHBondContact O-N 2.92Å; N579-K583 PolarHBondContact O-N 3.46Å
580D94.5Very high87.8Confident33 Ų3348.7 Ų48.718%0.17627%0.271CS..Hα-helixtrans-67.3-43.4176.4-63.1-27000110.6L152 H570 S576 F577 K582 K583 L584L152-D580 HydrophobicContact CD1-CB 3.89Å; L152-D580 HydrophobicContact CD2-CB 4.09Å; L152-D580 HydrophobicContact CG-CB 4.5Å; H570-D580 IonicContact NE2-OD2 3.96Å; S576-D580 VanDerWaalsContact O-CG 3.28Å; S576-D580 PolarHBondContact O-N 3.22Å; F577-D580 PolarHBondContact O-N 3.37Å; D580-K582 VanDerWaalsContact C-N 3.28Å; D580-K582 PolarHBondContact O-N 3.16Å; D580-K583 PolarHBondContact O-N 3.2Å; D580-K583 VanDerWaalsContact O-N 3.15Å; D580-L584 PolarHBondContact O-N 3.28Å
581L95.4Very high85.2Confident0 Ų056.1 Ų56.10%031%0.306CS..Hα-helixtrans-59.6-38.3172.6-71173.1000112.2I437 N440 L441 L444 F577 L578 K583 L584I437-L581 HydrophobicContact CG2-CB 4.05Å; I437-L581 HydrophobicContact CG2-CD1 4.31Å; N440-L581 WeakPolarHBondContact CB-O 3.23Å; N440-L581 PolarHBondContact ND2-O 3.46Å; L441-L581 HydrophobicContact CD1-CD1 3.86Å; L441-L581 HydrophobicContact CD2-CD1 4.08Å; L441-L581 HydrophobicContact CD2-CD2 4.33Å; L441-L581 HydrophobicContact CG-CD1 3.72Å; L441-L581 HydrophobicContact CG-CD2 4.07Å; L444-L581 HydrophobicContact CD1-CD2 3.81Å; L444-L581 HydrophobicContact CD2-CD2 4.19Å; F577-L581 HydrophobicContact CD1-CD1 4.03Å; F577-L581 HydrophobicContact CE1-CD1 3.65Å; F577-L581 HydrophobicContact CE1-CG 4.44Å; F577-L581 HydrophobicContact CE2-CD1 4.41Å; F577-L581 HydrophobicContact CE2-CG 4.35Å; F577-L581 HydrophobicContact CZ-CD1 3.87Å; F577-L581 HydrophobicContact CZ-CD2 4.38Å; F577-L581 HydrophobicContact CZ-CG 4.24Å; F577-L581 WeakPolarHBondContact O-CG 3.33Å; F577-L581 PolarHBondContact O-N 2.68Å; L578-L581 HydrophobicContact CD2-CD1 4.35Å; L581-K583 PolarHBondContact O-N 3.25Å; L581-L584 WeakPolarHBondContact O-CB 3.38Å; L581-L584 PolarHBondContact O-N 3.11Å
582K94.8Very high81.9Confident73 Ų7363.5 Ų63.532%0.31736%0.361SS..Hα-helixtrans-60-27.4178-171.7173.9172.8169.40113.4N434 N436 I437 L578 N579 D580N434-K582 WeakPolarHBondContact OD1-CE 3.44Å; N434-K582 PolarHBondContact OD1-NZ 3.24Å; N436-K582 PolarHBondContact ND2-O 3.47Å; I437-K582 HydrophobicContact CD1-CB 3.97Å; I437-K582 HydrophobicContact CD1-CD 4.24Å; I437-K582 HydrophobicContact CD1-CG 4.27Å; I437-K582 HydrophobicContact CG1-CB 3.67Å; I437-K582 HydrophobicContact CG1-CG 4.04Å; L578-K582 WeakPolarHBondContact O-CB 3.27Å; L578-K582 PolarHBondContact O-N 2.96Å; N579-K582 WeakPolarHBondContact O-CB 3.4Å; N579-K582 PolarHBondContact O-N 2.92Å; D580-K582 VanDerWaalsContact C-N 3.28Å; D580-K582 PolarHBondContact O-N 3.16Å
583K91.5Very high81.2Confident110 Ų11066.6 Ų66.648%0.47838%0.378SS..THydrogen-bonded Turntrans-95.5-5.7-176.9-64.6175.4-178.2178.60113.3H153 N579 D580 L581 D585 L586H153-K583 PolarHBondContact CD2-O 3.28Å; H153-K583 VanDerWaalsContact CD2-O 3.28Å; H153-K583 PolarHBondContact NE2-O 2.99Å; N579-K583 PolarHBondContact O-N 3.46Å; D580-K583 PolarHBondContact O-N 3.2Å; D580-K583 VanDerWaalsContact O-N 3.15Å; L581-K583 PolarHBondContact O-N 3.25Å; K583-D585 VanDerWaalsContact C-N 3.34Å; K583-D585 PolarHBondContact O-N 3.18Å; K583-L586 PolarHBondContact O-N 3.07Å; K583-L586 VanDerWaalsContact O-N 3.12Å
584L91.3Very high80.3Confident0 Ų068.5 Ų68.50%039%0.388CS..THydrogen-bonded Turntrans-66.1-33.9-165.1-166.660.7000114.2L152 S157 N440 H443 L444 D580 L581L152-L584 HydrophobicContact CD2-CD1 4.05Å; S157-L584 WeakPolarHBondContact CB-O 3.4Å; S157-L584 PolarHBondContact OG-O 3.44Å; N440-L584 HydrophobicContact CB-CB 4.16Å; N440-L584 HydrophobicContact CB-CD2 4.24Å; H443-L584 HydrophobicContact CB-CD2 3.73Å; L444-L584 HydrophobicContact CD1-CD2 3.76Å; D580-L584 PolarHBondContact O-N 3.28Å; L581-L584 WeakPolarHBondContact O-CB 3.38Å; L581-L584 PolarHBondContact O-N 3.11Å
585D89.1Confident79.3Confident60 Ų6071.6 Ų71.632%0.32141%0.405SS..THydrogen-bonded Turntrans-91.92.2178.762.5-34.5000113.4N436 N440 K583N436-D585 PolarHBondContact ND2-OD1 2.98Å; N436-D585 VanDerWaalsContact ND2-OD1 3.08Å; N440-D585 VanDerWaalsContact ND2-CG 3.31Å; N440-D585 PolarHBondContact ND2-OD1 3.16Å; K583-D585 VanDerWaalsContact C-N 3.34Å; K583-D585 PolarHBondContact O-N 3.18Å
586L85.2Confident78.3Confident93 Ų9372.4 Ų72.449%0.48741%0.408SS..SBendtrans-97.9147.8177.3-55.5179.5000109.9H153 K583H153-L586 PolarHBondContact NE2-O 3.15Å; K583-L586 PolarHBondContact O-N 3.07Å; K583-L586 VanDerWaalsContact O-N 3.12Å
587D73.8Confident77.2Confident122 Ų12274.8 Ų74.865%0.65242%0.419SS*.  trans-53.6138.1165.5-76.8-45.8000108.9V159 T589V159-D587 VanDerWaalsContact CG1-OD1 3.22Å; V159-D587 WeakPolarHBondContact CG1-OD1 3.49Å; D587-T589 PolarHBondContact O-N 3.11Å
588P63.2Low75.8Confident59 Ų5979.8 Ų79.838%0.38345%0.447SS..  trans-58.2112.1172.823.4-28.9000106.9P590P588-P590 WeakPolarHBondContact O-CD 3.5Å; P588-P590 VanDerWaalsContact O-N 3.11Å
589T55Low74.3Confident104 Ų10485.5 Ų85.564%0.63848%0.479SS*.  trans-56.5123.1171.343.20000106.2D587 E591D587-T589 PolarHBondContact O-N 3.11Å; T589-E591 PolarHBondContact O-N 3.25Å
590P41.2Very low72.6Confident131 Ų13187.8 Ų87.885%0.85149%0.493SS*.  trans-58.4106.1173.721.7-29.3000106.5P588 S592P588-P590 WeakPolarHBondContact O-CD 3.5Å; P588-P590 VanDerWaalsContact O-N 3.11Å; P590-S592 PolarHBondContact O-N 3.24Å
591E40.6Very low70.8Confident169 Ų16992.4 Ų92.479%0.7952%0.519SS*.  trans-62.9136.1-170.4-72.4-171.4154.500110.5T589T589-E591 PolarHBondContact O-N 3.25Å
592S28.6Very low68.6Low188 Ų188100.8 Ų100.8100%1.31557%0.567SS**  trans-64.20167.853.20000113.1P590P590-S592 PolarHBondContact O-N 3.24Å

Retrieved 592 of 592 residues in 762.6 ms (Link to these results)

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