A0A087XP52_POEFO Loading...

Syntaxin binding protein 2

AlphaFold DB , UniProt , Accession A0A087XP52, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 586 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
1M26.7Very low74.9Confident240 Ų24051.5 Ų51.5100%1.18232%0.324SS*.  0115.30-84.6-179.9-93.600106.1
2A30.8Very low76.4Confident86 Ų8655.4 Ų55.471%0.71134%0.341SS*.  trans-62.9151.5-179.600000110.3
3P49.2Very low77.7Confident47 Ų4755.5 Ų55.531%0.30533%0.333SS..  trans-51.6147.4165.724.7-33.7000109.9G5 C532P3-G5 PolarHBondContact O-N 3.22Å; P3-C532 HydrophobicContact CB-CB 4.5Å; P3-C532 WeakPolarHBondContact CB-SG 3.34Å
4S69.4Low78.9Confident48 Ų4851.6 Ų51.634%0.33631%0.31SS..  trans-58.4110.8174.552.70000108.5
5G87.1Confident79.8Confident15 Ų1550.1 Ų50.116%0.15530%0.3CS..  trans-61.9164.7-176.600000112.8P3 K7 A8 V9P3-G5 PolarHBondContact O-N 3.22Å; G5-K7 PolarHBondContact O-N 2.65Å; G5-K7 VanDerWaalsContact O-N 3.12Å; G5-A8 WeakPolarHBondContact O-CB 3.1Å; G5-A8 PolarHBondContact O-N 3Å; G5-V9 PolarHBondContact O-N 3.13Å
6L92.9Very high80.6Confident2 Ų251.1 Ų51.11%0.0131%0.306CS..Hα-helixtrans-48.8-42.2-177.9-78.9169000113.5A8 V9 V10 F136 P138 S141 F144 L178 L182 L566L6-A8 VanDerWaalsContact C-N 3.33Å; L6-A8 PolarHBondContact O-N 3.3Å; L6-V9 PolarHBondContact O-N 3.22Å; L6-V10 WeakPolarHBondContact O-CG2 3.4Å; L6-V10 PolarHBondContact O-N 3.18Å; L6-F136 HydrophobicContact CD2-CE2 4.33Å; L6-P138 HydrophobicContact CB-CB 4.02Å; L6-S141 PolarHBondContact N-O 3.21Å; L6-F144 HydrophobicContact CD1-CB 4.22Å; L6-L178 HydrophobicContact CD2-CD1 3.85Å; L6-L182 HydrophobicContact CD2-CD1 4.18Å; L6-L182 HydrophobicContact CD2-CD2 3.83Å; L6-L182 HydrophobicContact CD2-CG 4.35Å; L6-L566 HydrophobicContact CD1-CD1 4.47Å; L6-L566 HydrophobicContact CD1-CD2 3.99Å; L6-L566 HydrophobicContact CD2-CD1 4.21Å; L6-L566 HydrophobicContact CG-CD1 4.48Å; L6-L566 HydrophobicContact CG-CD2 4.18Å
7K93.8Very high81.2Confident34 Ų3450.2 Ų50.215%0.14831%0.31CS..Hα-helixtrans-56.8-44.5176.4-70.3-173.5-178.2-1190112.6G5 G11 S43 C44 P138 Y139 E282G5-K7 PolarHBondContact O-N 2.65Å; G5-K7 VanDerWaalsContact O-N 3.12Å; K7-G11 WeakPolarHBondContact O-CA 3.29Å; K7-G11 PolarHBondContact O-N 3.49Å; K7-S43 VanDerWaalsContact CD-O 3.24Å; K7-S43 WeakPolarHBondContact CD-O 3.36Å; K7-S43 PolarHBondContact NZ-O 3.41Å; K7-C44 HydrophobicContact CB-CB 4.43Å; K7-C44 VanDerWaalsContact O-CB 3.29Å; K7-C44 WeakPolarHBondContact O-CB 3.31Å; K7-P138 WeakPolarHBondContact CE-O 3.3Å; K7-P138 HydrophobicContact CG-CB 4.03Å; K7-P138 HydrophobicContact CG-CG 4.42Å; K7-P138 WeakPolarHBondContact CG-O 3.41Å; K7-Y139 WeakPolarHBondContact CE-O 3.47Å; K7-Y139 PolarHBondContact NZ-O 3.25Å; K7-E282 HydrophobicContact CD-CB 4.25Å; K7-E282 HydrophobicContact CD-CG 4.4Å; K7-E282 VanDerWaalsContact CD-OE2 3.31Å; K7-E282 WeakPolarHBondContact CD-OE2 3.41Å
8A92.4Very high82Confident57 Ų5747.4 Ų47.447%0.47129%0.292SS..Hα-helixtrans-67.6-41.2-179.900000111.6G5 L6 G11 D12G5-A8 WeakPolarHBondContact O-CB 3.1Å; G5-A8 PolarHBondContact O-N 3Å; L6-A8 VanDerWaalsContact C-N 3.33Å; L6-A8 PolarHBondContact O-N 3.3Å; A8-G11 PolarHBondContact O-N 3.26Å; A8-D12 WeakPolarHBondContact O-CB 3.03Å; A8-D12 PolarHBondContact O-N 3.34Å
9V93.3Very high82.6Confident34 Ų3445 Ų4521%0.20628%0.278CS..Hα-helixtrans-62.9-48.4178.6178.80000111G5 L6 K13 T181 L182G5-V9 PolarHBondContact O-N 3.13Å; L6-V9 PolarHBondContact O-N 3.22Å; V9-K13 WeakPolarHBondContact O-CB 3.19Å; V9-K13 PolarHBondContact O-N 2.97Å; V9-K13 VanDerWaalsContact O-N 3.09Å; V9-T181 HydrophobicContact CG1-CG2 3.84Å; V9-L182 HydrophobicContact CG1-CD2 4.44Å
10V94.6Very high83.1Confident0 Ų047.3 Ų47.30%028%0.283CS..Hα-helixtrans-67.9-43.1179175.40000111.1L6 D12 K13 I14 I40 C44 V134 F136 P138 T181L6-V10 WeakPolarHBondContact O-CG2 3.4Å; L6-V10 PolarHBondContact O-N 3.18Å; V10-D12 PolarHBondContact O-N 2.91Å; V10-K13 PolarHBondContact O-N 3.23Å; V10-I14 HydrophobicContact CG1-CD1 3.82Å; V10-I14 HydrophobicContact CG1-CG1 4.4Å; V10-I14 WeakPolarHBondContact O-CG1 3.22Å; V10-I14 PolarHBondContact O-N 3.05Å; V10-I40 HydrophobicContact CG1-CG2 3.97Å; V10-C44 HydrophobicContact CG1-CB 4.49Å; V10-V134 HydrophobicContact CG1-CG1 3.71Å; V10-V134 HydrophobicContact CG2-CG1 4.41Å; V10-F136 HydrophobicContact CG2-CE1 4.47Å; V10-F136 HydrophobicContact CG2-CE2 3.86Å; V10-F136 HydrophobicContact CG2-CZ 3.54Å; V10-P138 HydrophobicContact CB-CB 4.44Å; V10-P138 HydrophobicContact CB-CG 3.98Å; V10-P138 HydrophobicContact CG1-CG 4.08Å; V10-P138 HydrophobicContact CG2-CB 4.14Å; V10-P138 HydrophobicContact CG2-CG 4.08Å; V10-T181 HydrophobicContact CG2-CG2 4.2Å
11G94Very high83.7Confident4 Ų447.8 Ų47.84%0.04129%0.289CS..Hα-helixtrans-59-46.1178.400000112.3K7 A8 I14 L15K7-G11 WeakPolarHBondContact O-CA 3.29Å; K7-G11 PolarHBondContact O-N 3.49Å; A8-G11 PolarHBondContact O-N 3.26Å; G11-I14 PolarHBondContact O-N 2.79Å; G11-L15 VanDerWaalsContact O-CB 3.3Å; G11-L15 WeakPolarHBondContact O-CB 3.43Å; G11-L15 VanDerWaalsContact O-CG 3.27Å; G11-L15 WeakPolarHBondContact O-CG 3.31Å; G11-L15 PolarHBondContact O-N 2.73Å
12D92.9Very high86.8Confident98 Ų9836.8 Ų36.852%0.52424%0.236SC..Hα-helixtrans-65.1-42175.4-177.152000112.1A8 V10 I14 L15 T16A8-D12 WeakPolarHBondContact O-CB 3.03Å; A8-D12 PolarHBondContact O-N 3.34Å; V10-D12 PolarHBondContact O-N 2.91Å; D12-I14 VanDerWaalsContact C-N 3.31Å; D12-I14 PolarHBondContact O-N 2.83Å; D12-L15 PolarHBondContact O-N 3.07Å; D12-T16 WeakPolarHBondContact O-CB 3.49Å; D12-T16 PolarHBondContact O-N 3.27Å; D12-T16 PolarHBondContact O-OG1 3.21Å; D12-T16 PolarHBondContact OD1-OG1 3.04Å
13K93.1Very high89.8Confident56 Ų5637.2 Ų37.224%0.24322%0.221CC..Hα-helixtrans-59.7-40.9177.4-169.2169177.8-170.80111.8V9 V10 G17 I132 N133 V134 D180 T181V9-K13 WeakPolarHBondContact O-CB 3.19Å; V9-K13 PolarHBondContact O-N 2.97Å; V9-K13 VanDerWaalsContact O-N 3.09Å; V10-K13 PolarHBondContact O-N 3.23Å; K13-G17 WeakPolarHBondContact O-CA 2.99Å; K13-G17 PolarHBondContact O-N 2.79Å; K13-I132 WeakPolarHBondContact CE-O 3.37Å; K13-I132 PolarHBondContact NZ-O 3.1Å; K13-N133 PolarHBondContact NZ-O 3.45Å; K13-N133 VanDerWaalsContact NZ-O 3.12Å; K13-V134 HydrophobicContact CD-CG2 3.72Å; K13-V134 HydrophobicContact CG-CG2 4.32Å; K13-D180 IonicContact NZ-OD2 2.72Å; K13-T181 HydrophobicContact CD-CG2 3.99Å; K13-T181 PolarHBondContact NZ-OG1 2.95Å
14I94.3Very high91.8Very high2 Ų239.7 Ų39.71%0.0123%0.227CC..Hα-helixtrans-73.8-51.2176.8-66.5173.8000111.2V10 G11 D12 T16 V18 I19 I40 L41 L76 I132V10-I14 HydrophobicContact CG1-CD1 3.82Å; V10-I14 HydrophobicContact CG1-CG1 4.4Å; V10-I14 WeakPolarHBondContact O-CG1 3.22Å; V10-I14 PolarHBondContact O-N 3.05Å; G11-I14 PolarHBondContact O-N 2.79Å; D12-I14 VanDerWaalsContact C-N 3.31Å; D12-I14 PolarHBondContact O-N 2.83Å; I14-T16 PolarHBondContact O-N 3.02Å; I14-V18 WeakPolarHBondContact O-CA 3.18Å; I14-V18 WeakPolarHBondContact O-CB 3.33Å; I14-V18 PolarHBondContact O-N 3.27Å; I14-I19 PolarHBondContact O-N 3.2Å; I14-I40 HydrophobicContact CD1-CG2 3.68Å; I14-L41 HydrophobicContact CG2-CD1 3.96Å; I14-L76 HydrophobicContact CG2-CD2 4.13Å; I14-I132 HydrophobicContact CG1-CD1 4.43Å
15L93.2Very high92.7Very high29 Ų2946.8 Ų46.815%0.15226%0.255CS..Iπ-helixtrans-60.7-45.8-178-72.6175000111.5G11 D12 I19 K20 D49G11-L15 VanDerWaalsContact O-CB 3.3Å; G11-L15 WeakPolarHBondContact O-CB 3.43Å; G11-L15 VanDerWaalsContact O-CG 3.27Å; G11-L15 WeakPolarHBondContact O-CG 3.31Å; G11-L15 PolarHBondContact O-N 2.73Å; D12-L15 PolarHBondContact O-N 3.07Å; L15-I19 HydrophobicContact CD2-CD1 3.98Å; L15-I19 PolarHBondContact O-N 2.72Å; L15-K20 WeakPolarHBondContact O-CB 3.35Å; L15-K20 VanDerWaalsContact O-CG 3.3Å; L15-K20 WeakPolarHBondContact O-CG 3.3Å; L15-K20 PolarHBondContact O-N 3.35Å; L15-D49 HydrophobicContact CD1-CB 4.44Å; L15-D49 HydrophobicContact CD2-CB 4.45Å
16T92.7Very high92.8Very high65 Ų6550 Ų5040%0.39929%0.289SS..Iπ-helixtrans-82.2-46.8-177-590000111.8D12 I14 S21D12-T16 WeakPolarHBondContact O-CB 3.49Å; D12-T16 PolarHBondContact O-N 3.27Å; D12-T16 PolarHBondContact O-OG1 3.21Å; D12-T16 PolarHBondContact OD1-OG1 3.04Å; I14-T16 PolarHBondContact O-N 3.02Å; T16-S21 PolarHBondContact O-N 3.33Å
17G90.6Very high92.7Very high36 Ų3653.4 Ų53.437%0.37131%0.305SS..Iπ-helixtrans-77.1-27.9-175.200000114.8K13 S21K13-G17 WeakPolarHBondContact O-CA 2.99Å; K13-G17 PolarHBondContact O-N 2.79Å; G17-S21 WeakPolarHBondContact O-CB 3.26Å; G17-S21 PolarHBondContact O-OG 3.35Å; G17-S21 VanDerWaalsContact O-OG 3.05Å
18V94.5Very high92.8Very high0 Ų058.7 Ų58.70%032%0.324CS..Iπ-helixtrans-106.5-70179.5-176.90000110I14 S21 I74 L76 F104 I132I14-V18 WeakPolarHBondContact O-CA 3.18Å; I14-V18 WeakPolarHBondContact O-CB 3.33Å; I14-V18 PolarHBondContact O-N 3.27Å; V18-S21 PolarHBondContact O-N 3.28Å; V18-S21 PolarHBondContact O-OG 3.02Å; V18-I74 HydrophobicContact CG1-CG2 3.81Å; V18-L76 HydrophobicContact CG2-CD1 4.42Å; V18-F104 HydrophobicContact CB-CD1 4.44Å; V18-F104 HydrophobicContact CG1-CB 4.38Å; V18-F104 HydrophobicContact CG1-CD1 4.23Å; V18-F104 HydrophobicContact CG1-CD2 3.68Å; V18-F104 HydrophobicContact CG1-CE1 4.41Å; V18-F104 HydrophobicContact CG1-CE2 3.88Å; V18-F104 HydrophobicContact CG1-CG 3.85Å; V18-F104 HydrophobicContact CG1-CZ 4.25Å; V18-F104 HydrophobicContact CG2-CB 4.45Å; V18-F104 HydrophobicContact CG2-CD1 3.96Å; V18-F104 HydrophobicContact CG2-CE1 4.37Å; V18-F104 HydrophobicContact CG2-CG 4.18Å; V18-I132 HydrophobicContact CG2-CG2 3.66Å
19I93.6Very high93Very high2 Ų256.2 Ų56.21%0.0130%0.302CS..Iπ-helixtrans-69.5-54.3-164.3-51.3-168.8000111.7I14 L15 S21 V22 K23 I50 E53 V55I14-I19 PolarHBondContact O-N 3.2Å; L15-I19 HydrophobicContact CD2-CD1 3.98Å; L15-I19 PolarHBondContact O-N 2.72Å; I19-S21 VanDerWaalsContact C-N 3.26Å; I19-S21 PolarHBondContact O-N 2.97Å; I19-V22 WeakPolarHBondContact O-CG2 3.3Å; I19-V22 PolarHBondContact O-N 3.28Å; I19-K23 PolarHBondContact O-N 3.08Å; I19-I50 HydrophobicContact CD1-CB 4.34Å; I19-I50 HydrophobicContact CD1-CG1 3.97Å; I19-I50 HydrophobicContact CD1-CG2 4.04Å; I19-E53 HydrophobicContact CG2-CB 3.63Å; I19-V55 HydrophobicContact CG2-CG2 3.85Å
20K93.5Very high93.2Very high90 Ų9054.6 Ų54.639%0.39129%0.292SS..G310 helixtrans-65-31.1179.1-70.8173.91791710112.3L15 V22 K23 E53L15-K20 WeakPolarHBondContact O-CB 3.35Å; L15-K20 VanDerWaalsContact O-CG 3.3Å; L15-K20 WeakPolarHBondContact O-CG 3.3Å; L15-K20 PolarHBondContact O-N 3.35Å; K20-V22 PolarHBondContact O-N 3.4Å; K20-K23 WeakPolarHBondContact O-CB 3.45Å; K20-K23 PolarHBondContact O-N 3.03Å; K20-E53 WeakPolarHBondContact CE-OE1 3.48Å; K20-E53 HydrophobicContact CG-CG 4.33Å; K20-E53 IonicContact NZ-OE1 3.94Å
21S94.4Very high93.3Very high58 Ų5854.6 Ų54.641%0.40629%0.293SS..G310 helixtrans-63.3-24.6-179.584.70000113.9T16 G17 V18 I19T16-S21 PolarHBondContact O-N 3.33Å; G17-S21 WeakPolarHBondContact O-CB 3.26Å; G17-S21 PolarHBondContact O-OG 3.35Å; G17-S21 VanDerWaalsContact O-OG 3.05Å; V18-S21 PolarHBondContact O-N 3.28Å; V18-S21 PolarHBondContact O-OG 3.02Å; I19-S21 VanDerWaalsContact C-N 3.26Å; I19-S21 PolarHBondContact O-N 2.97Å
22V93.8Very high93.5Very high10 Ų1054.4 Ų54.46%0.06129%0.291CS..G310 helixtrans-113.84.2179.7-58.70000113I19 K20 K29 I74 H102 F104I19-V22 WeakPolarHBondContact O-CG2 3.3Å; I19-V22 PolarHBondContact O-N 3.28Å; K20-V22 PolarHBondContact O-N 3.4Å; V22-K29 HydrophobicContact CG2-CD 4.22Å; V22-K29 WeakPolarHBondContact O-CE 3.43Å; V22-K29 PolarHBondContact O-NZ 2.97Å; V22-I74 HydrophobicContact CG2-CD1 3.37Å; V22-I74 HydrophobicContact CG2-CG1 3.78Å; V22-H102 HydrophobicContact CG1-CB 4.09Å; V22-F104 HydrophobicContact CG1-CE2 3.89Å; V22-F104 HydrophobicContact CG1-CZ 3.75Å
23K92.6Very high93.7Very high94 Ų9449.8 Ų49.841%0.40927%0.266SS..  trans-65.6135.5176.6-172.9178.1-171.8176.90109.9I19 K20 E53I19-K23 PolarHBondContact O-N 3.08Å; K20-K23 WeakPolarHBondContact O-CB 3.45Å; K20-K23 PolarHBondContact O-N 3.03Å; K23-E53 WeakPolarHBondContact CD-O 3.34Å; K23-E53 WeakPolarHBondContact CD-OE2 3.47Å; K23-E53 WeakPolarHBondContact CG-O 3.38Å; K23-E53 IonicContact NZ-OE2 2.58Å; K23-E53 PolarHBondContact NZ-OE2 3.07Å
24K91.9Very high93.9Very high99 Ų9947.3 Ų47.343%0.4326%0.255SS..  trans-134134.9171.2-67.7-173.3-173.9169.70108.5G26 E27K24-G26 PolarHBondContact O-N 3.02Å; K24-E27 HydrophobicContact CB-CB 4.23Å; K24-E27 HydrophobicContact CB-CG 4.28Å; K24-E27 WeakPolarHBondContact CD-OE2 3.43Å; K24-E27 PolarHBondContact O-N 3.03Å
25E88.8Confident93.8Very high197 Ų19752.3 Ų52.392%0.92128%0.278SS*.THydrogen-bonded Turntrans-60.2131.1-178.8-66.5-170.216500110.8E27E25-E27 VanDerWaalsContact C-N 3.28Å; E25-E27 PolarHBondContact O-N 3.34Å
26G87.6Confident93.7Very high84 Ų8452.6 Ų52.687%0.86628%0.279SS*.THydrogen-bonded Turntrans79.6-2.6-179.600000115.8K24K24-G26 PolarHBondContact O-N 3.02Å
27E92Very high93.7Very high72 Ų7249.6 Ų49.634%0.33626%0.261SS..  trans-108.2130.6176.7-66.9-175.1178.200112K24 E25 K29K24-E27 HydrophobicContact CB-CB 4.23Å; K24-E27 HydrophobicContact CB-CG 4.28Å; K24-E27 WeakPolarHBondContact CD-OE2 3.43Å; K24-E27 PolarHBondContact O-N 3.03Å; E25-E27 VanDerWaalsContact C-N 3.28Å; E25-E27 PolarHBondContact O-N 3.34Å; E27-K29 IonicContact OE2-NZ 3.63Å; E27-K29 PolarHBondContact OE2-NZ 3.41Å
28W95.3Very high93.9Very high145 Ų14551.3 Ų51.355%0.54926%0.26SS..  trans-93.2147.4169.9-63.4100.3000110.9G54 T56 L71W28-G54 WeakPolarHBondContact CA-O 3.27Å; W28-T56 HydrophobicContact CB-CG2 4.49Å; W28-L71 HydrophobicContact CB-CD2 4.27Å
29K96.6Very high93.9Very high5 Ų554.9 Ų54.92%0.02227%0.274CS..EExtended strand (participates in β ladder)trans-127.7155.5176.3-64.7-172.9172.167.30111.5V22 E27 G54 V55 T56 E72 I74V22-K29 HydrophobicContact CG2-CD 4.22Å; V22-K29 WeakPolarHBondContact O-CE 3.43Å; V22-K29 PolarHBondContact O-NZ 2.97Å; E27-K29 IonicContact OE2-NZ 3.63Å; E27-K29 PolarHBondContact OE2-NZ 3.41Å; K29-G54 PolarHBondContact N-O 3.17Å; K29-V55 CarbonylContact O-C 3.55Å; K29-V55 WeakPolarHBondContact O-CA 3.33Å; K29-T56 PolarHBondContact O-N 3.49Å; K29-E72 VanDerWaalsContact CA-O 3.28Å; K29-E72 WeakPolarHBondContact CA-O 3.42Å; K29-E72 WeakPolarHBondContact CB-O 3.49Å; K29-E72 HydrophobicContact CD-CB 4.42Å; K29-E72 HydrophobicContact CG-CB 4.29Å; K29-I74 HydrophobicContact CB-CD1 4.07Å; K29-I74 HydrophobicContact CB-CG1 4.14Å; K29-I74 HydrophobicContact CD-CD1 4.06Å; K29-I74 HydrophobicContact CD-CG1 4.02Å
30V96.9Very high93.9Very high0 Ų055 Ų550%027%0.274CS..EExtended strand (participates in β ladder)trans-96.6132.2172.9-178.70000108.5I32 I57 E59 I68 L71 E72 A73 I74 Y98V30-I32 HydrophobicContact CG1-CD1 3.51Å; V30-I32 HydrophobicContact CG1-CG1 4.29Å; V30-I57 HydrophobicContact CB-CG2 4.28Å; V30-I57 HydrophobicContact CG1-CG2 3.69Å; V30-I57 HydrophobicContact CG2-CG2 4Å; V30-E59 HydrophobicContact CG1-CG 4.39Å; V30-I68 HydrophobicContact CG2-CD1 4.21Å; V30-L71 HydrophobicContact CG2-CB 4.15Å; V30-L71 HydrophobicContact CG2-CD1 3.93Å; V30-E72 PolarHBondContact N-O 2.96Å; V30-A73 CarbonylContact O-C 3.58Å; V30-A73 WeakPolarHBondContact O-CA 3.33Å; V30-I74 PolarHBondContact O-N 3.5Å; V30-Y98 HydrophobicContact CB-CD1 4.44Å; V30-Y98 HydrophobicContact CB-CE1 4.07Å; V30-Y98 HydrophobicContact CG1-CE1 3.98Å; V30-Y98 HydrophobicContact CG2-CD1 4.32Å; V30-Y98 HydrophobicContact CG2-CE1 4.07Å
31L97.6Very high93.9Very high1 Ų151 Ų511%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-99.1117.7174.7178.162.7000109.5V33 L41 I50 V55 I57 V58 E59 I74 L76L31-V33 HydrophobicContact CD1-CG1 4.33Å; L31-V33 HydrophobicContact CD2-CG1 4.43Å; L31-V33 HydrophobicContact CG-CG1 4.06Å; L31-L41 HydrophobicContact CD2-CD2 3.67Å; L31-I50 HydrophobicContact CD2-CG2 4.08Å; L31-V55 HydrophobicContact CB-CG1 3.6Å; L31-V55 HydrophobicContact CB-CG2 4.39Å; L31-I57 PolarHBondContact N-O 3.32Å; L31-V58 HydrophobicContact CB-CG2 4.22Å; L31-V58 HydrophobicContact CD2-CG1 4.34Å; L31-V58 HydrophobicContact CD2-CG2 4.06Å; L31-V58 HydrophobicContact CG-CG1 4.4Å; L31-V58 CarbonylContact O-C 3.6Å; L31-V58 VanDerWaalsContact O-CA 3.26Å; L31-V58 WeakPolarHBondContact O-CA 3.35Å; L31-E59 PolarHBondContact O-N 3.38Å; L31-I74 CarbonylContact C-O 3.51Å; L31-I74 HydrophobicContact CD1-CB 3.94Å; L31-I74 HydrophobicContact CD1-CG2 3.84Å; L31-L76 HydrophobicContact CD1-CB 4.18Å
32I97.9Very high93.8Very high0 Ų052.4 Ų52.40%027%0.267CS..EExtended strand (participates in β ladder)trans-105.6121.3179.3-52.7-56.4000108.6V30 E59 I61 A73 I74 Y75 L76 Y98V30-I32 HydrophobicContact CG1-CD1 3.51Å; V30-I32 HydrophobicContact CG1-CG1 4.29Å; I32-E59 WeakPolarHBondContact CA-O 3.38Å; I32-E59 HydrophobicContact CD1-CB 3.84Å; I32-E59 HydrophobicContact CD1-CG 4.44Å; I32-I61 HydrophobicContact CG2-CB 3.62Å; I32-I61 HydrophobicContact CG2-CD1 4.21Å; I32-I61 HydrophobicContact CG2-CG1 3.82Å; I32-A73 HydrophobicContact CG1-CB 4.18Å; I32-I74 PolarHBondContact N-O 3.48Å; I32-Y75 HydrophobicContact CB-CD1 3.72Å; I32-Y75 HydrophobicContact CB-CE1 3.94Å; I32-Y75 HydrophobicContact CB-CG 4.25Å; I32-Y75 HydrophobicContact CG1-CD1 4.24Å; I32-Y75 HydrophobicContact CG1-CE1 4.03Å; I32-Y75 HydrophobicContact CG2-CD1 3.66Å; I32-Y75 HydrophobicContact CG2-CE1 3.72Å; I32-Y75 WeakPolarHBondContact O-CA 3.44Å; I32-L76 PolarHBondContact O-N 3.41Å; I32-Y98 HydrophobicContact CD1-CE2 4.2Å; I32-Y98 WeakPolarHBondContact CD1-OH 3.08Å; I32-Y98 HydrophobicContact CG1-CE2 4.23Å
33V97.4Very high93.6Very high0 Ų053.3 Ų53.30%027%0.274CS..EExtended strand (participates in β ladder)trans-126.3156.1-178.5-67.90000110.5L31 T37 M38 L41 V58 E59 D60 I61 L76L31-V33 HydrophobicContact CD1-CG1 4.33Å; L31-V33 HydrophobicContact CD2-CG1 4.43Å; L31-V33 HydrophobicContact CG-CG1 4.06Å; V33-T37 WeakPolarHBondContact CB-OG1 3.26Å; V33-M38 HydrophobicContact CB-CB 4.38Å; V33-M38 HydrophobicContact CG2-CB 3.88Å; V33-M38 HydrophobicContact CG2-CE 3.67Å; V33-M38 HydrophobicContact CG2-CG 4.37Å; V33-L41 HydrophobicContact CG1-CD2 4.43Å; V33-V58 HydrophobicContact CG2-CG1 3.78Å; V33-E59 PolarHBondContact N-O 2.93Å; V33-D60 CarbonylContact O-C 3.58Å; V33-D60 VanDerWaalsContact O-CA 3.3Å; V33-D60 WeakPolarHBondContact O-CA 3.24Å; V33-I61 PolarHBondContact O-N 3.44Å; V33-L76 WeakPolarHBondContact CA-O 3.5Å; V33-L76 HydrophobicContact CG1-CB 4.3Å
34D95.9Very high93.6Very high4 Ų450 Ų502%0.02126%0.262CS..  trans-98.6-176.6164.666.318.9000111.5M36 T37 M38 I61 I77 T78 S83D34-M36 PolarHBondContact O-N 3.2Å; D34-M36 PolarHBondContact OD1-N 2.82Å; D34-T37 PolarHBondContact N-OG1 3.33Å; D34-T37 PolarHBondContact O-OG1 2.84Å; D34-T37 WeakPolarHBondContact OD1-CB 3.16Å; D34-T37 WeakPolarHBondContact OD1-CG2 3.48Å; D34-T37 PolarHBondContact OD1-N 3.35Å; D34-T37 PolarHBondContact OD1-OG1 3.4Å; D34-M38 WeakPolarHBondContact O-CB 3.42Å; D34-M38 PolarHBondContact O-N 3.09Å; D34-I61 HydrophobicContact CB-CG2 3.78Å; D34-I77 HydrophobicContact CB-CG2 4.49Å; D34-T78 VanDerWaalsContact OD2-CB 3.29Å; D34-T78 WeakPolarHBondContact OD2-CB 3.3Å; D34-T78 WeakPolarHBondContact OD2-CG2 3.29Å; D34-T78 PolarHBondContact OD2-N 2.97Å; D34-T78 PolarHBondContact OD2-OG1 3.02Å; D34-S83 PolarHBondContact OD2-OG 2.9Å
35H92.1Very high93.6Very high107 Ų10745.9 Ų45.950%0.49525%0.246SC..Hα-helixtrans-58-46.9-177.1-179.5-95.3000112.9R39H35-R39 WeakPolarHBondContact O-CG 3.33Å; H35-R39 PolarHBondContact O-N 3.06Å
36M91.3Very high93.6Very high35 Ų3540.8 Ų40.817%0.17222%0.22CC..Hα-helixtrans-69-48.2-176.9-176.1177.9-178.100111D34 M38 R39 I40 T78 A135 Q174D34-M36 PolarHBondContact O-N 3.2Å; D34-M36 PolarHBondContact OD1-N 2.82Å; M36-M38 VanDerWaalsContact C-N 3.33Å; M36-M38 PolarHBondContact O-N 3.12Å; M36-R39 WeakPolarHBondContact O-CB 3.38Å; M36-R39 PolarHBondContact O-N 3.3Å; M36-R39 VanDerWaalsContact O-N 3.11Å; M36-I40 HydrophobicContact CE-CD1 4.46Å; M36-I40 HydrophobicContact CG-CD1 4.24Å; M36-I40 WeakPolarHBondContact O-CG1 3.29Å; M36-I40 PolarHBondContact O-N 3.33Å; M36-T78 HydrophobicContact CB-CG2 3.84Å; M36-T78 HydrophobicContact CG-CG2 4.16Å; M36-T78 HydrophobicContact SD-CG2 3.62Å; M36-A135 VanDerWaalsContact CE-C 3.49Å; M36-A135 HydrophobicContact CE-CB 4.36Å; M36-A135 WeakPolarHBondContact CE-O 3.36Å; M36-Q174 VanDerWaalsContact CE-NE2 3.31Å
37T94.4Very high93.7Very high2 Ų241.6 Ų41.61%0.01220%0.203CC..Hα-helixtrans-65.1-35.3178.850.10000113V33 D34 R39 I40 L41 L76 T78 T106V33-T37 WeakPolarHBondContact CB-OG1 3.26Å; D34-T37 PolarHBondContact N-OG1 3.33Å; D34-T37 PolarHBondContact O-OG1 2.84Å; D34-T37 WeakPolarHBondContact OD1-CB 3.16Å; D34-T37 WeakPolarHBondContact OD1-CG2 3.48Å; D34-T37 PolarHBondContact OD1-N 3.35Å; D34-T37 PolarHBondContact OD1-OG1 3.4Å; T37-R39 VanDerWaalsContact C-N 3.29Å; T37-R39 PolarHBondContact O-N 2.93Å; T37-I40 PolarHBondContact O-N 2.79Å; T37-L41 VanDerWaalsContact O-CB 3.28Å; T37-L41 WeakPolarHBondContact O-CB 3.34Å; T37-L41 PolarHBondContact O-N 2.99Å; T37-L76 WeakPolarHBondContact CB-O 3.36Å; T37-L76 HydrophobicContact CG2-CG 4.15Å; T37-L76 WeakPolarHBondContact CG2-O 3.38Å; T37-L76 PolarHBondContact OG1-O 3.13Å; T37-T78 HydrophobicContact CG2-CG2 4.39Å; T37-T106 HydrophobicContact CG2-CG2 3.23Å
38M94.5Very high93.6Very high73 Ų7341.6 Ų41.636%0.3621%0.211SC..Hα-helixtrans-58.9-42.7171.7-178.1177.3-65.900111.2V33 D34 M36 L41 S42 D60V33-M38 HydrophobicContact CB-CB 4.38Å; V33-M38 HydrophobicContact CG2-CB 3.88Å; V33-M38 HydrophobicContact CG2-CE 3.67Å; V33-M38 HydrophobicContact CG2-CG 4.37Å; D34-M38 WeakPolarHBondContact O-CB 3.42Å; D34-M38 PolarHBondContact O-N 3.09Å; M36-M38 VanDerWaalsContact C-N 3.33Å; M36-M38 PolarHBondContact O-N 3.12Å; M38-L41 PolarHBondContact O-N 3.47Å; M38-S42 VanDerWaalsContact O-CB 3.27Å; M38-S42 WeakPolarHBondContact O-CB 3.48Å; M38-S42 PolarHBondContact O-N 3.04Å; M38-D60 HydrophobicContact CE-CB 4.07Å
39R93.1Very high93.4Very high75 Ų7537.7 Ų37.728%0.28320%0.201SC..Hα-helixtrans-69.6-40.2177.3-70.2-172.267.2-178.8-3.4112.8H35 M36 T37 L41 S42 S43 L137 D147H35-R39 WeakPolarHBondContact O-CG 3.33Å; H35-R39 PolarHBondContact O-N 3.06Å; M36-R39 WeakPolarHBondContact O-CB 3.38Å; M36-R39 PolarHBondContact O-N 3.3Å; M36-R39 VanDerWaalsContact O-N 3.11Å; T37-R39 VanDerWaalsContact C-N 3.29Å; T37-R39 PolarHBondContact O-N 2.93Å; R39-L41 VanDerWaalsContact C-N 3.34Å; R39-S42 PolarHBondContact O-N 3.29Å; R39-S43 WeakPolarHBondContact O-CB 3.35Å; R39-S43 PolarHBondContact O-N 3.39Å; R39-S43 PolarHBondContact O-OG 2.79Å; R39-L137 HydrophobicContact CB-CD2 3.51Å; R39-D147 WeakPolarHBondContact CD-OD2 3.42Å; R39-D147 IonicContact CZ-OD1 2.88Å; R39-D147 VanDerWaalsContact CZ-OD1 3.25Å; R39-D147 IonicContact CZ-OD2 2.99Å; R39-D147 IonicContact NE-OD2 3.35Å; R39-D147 IonicContact NH1-OD1 3.64Å; R39-D147 PolarHBondContact NH1-OD1 3.43Å; R39-D147 IonicContact NH1-OD2 2.8Å; R39-D147 PolarHBondContact NH1-OD2 3.07Å; R39-D147 IonicContact NH2-OD1 3.76Å
40I94.4Very high93.2Very high4 Ų437.5 Ų37.52%0.02120%0.2CC..Hα-helixtrans-58.7-50173.7-64.2171000109.5V10 I14 M36 T37 S43 C44 V134 L137V10-I40 HydrophobicContact CG1-CG2 3.97Å; I14-I40 HydrophobicContact CD1-CG2 3.68Å; M36-I40 HydrophobicContact CE-CD1 4.46Å; M36-I40 HydrophobicContact CG-CD1 4.24Å; M36-I40 WeakPolarHBondContact O-CG1 3.29Å; M36-I40 PolarHBondContact O-N 3.33Å; T37-I40 PolarHBondContact O-N 2.79Å; I40-S43 WeakPolarHBondContact O-CB 2.78Å; I40-S43 PolarHBondContact O-N 2.8Å; I40-S43 VanDerWaalsContact O-N 3.13Å; I40-C44 PolarHBondContact O-N 3.35Å; I40-C44 PolarHBondContact O-SG 3.47Å; I40-V134 HydrophobicContact CG2-CG1 4.13Å; I40-L137 HydrophobicContact CB-CD2 4.45Å; I40-L137 HydrophobicContact CG1-CD2 3.76Å
41L93.4Very high93Very high7 Ų741 Ų414%0.03722%0.218CC..Hα-helixtrans-61.4-47.9-179.8-172.567.9000111.4I14 L31 V33 T37 M38 R39 S43 C44 C45 I50I14-L41 HydrophobicContact CG2-CD1 3.96Å; L31-L41 HydrophobicContact CD2-CD2 3.67Å; V33-L41 HydrophobicContact CG1-CD2 4.43Å; T37-L41 VanDerWaalsContact O-CB 3.28Å; T37-L41 WeakPolarHBondContact O-CB 3.34Å; T37-L41 PolarHBondContact O-N 2.99Å; M38-L41 PolarHBondContact O-N 3.47Å; R39-L41 VanDerWaalsContact C-N 3.34Å; L41-S43 PolarHBondContact O-N 2.92Å; L41-C44 PolarHBondContact O-N 3.04Å; L41-C45 HydrophobicContact CD1-CB 3.81Å; L41-C45 HydrophobicContact CG-CB 4.39Å; L41-C45 WeakPolarHBondContact O-CB 3.31Å; L41-C45 PolarHBondContact O-N 3.3Å; L41-I50 HydrophobicContact CD1-CD1 3.8Å; L41-I50 HydrophobicContact CD1-CG1 4.27Å; L41-I50 HydrophobicContact CD2-CD1 3.7Å; L41-I50 HydrophobicContact CG-CD1 3.73Å
42S91.8Very high92.6Very high87 Ų8744.4 Ų44.461%0.60825%0.246SC*.Hα-helixtrans-62.1-23.9177.3-172.10000113.2M38 R39M38-S42 VanDerWaalsContact O-CB 3.27Å; M38-S42 WeakPolarHBondContact O-CB 3.48Å; M38-S42 PolarHBondContact O-N 3.04Å; R39-S42 PolarHBondContact O-N 3.29Å
43S91.1Very high92.4Very high29 Ų2946.4 Ų46.420%0.20326%0.256CS..Hα-helixtrans-81.4-21.5-178.8-60.70000113.2K7 R39 I40 L41K7-S43 VanDerWaalsContact CD-O 3.24Å; K7-S43 WeakPolarHBondContact CD-O 3.36Å; K7-S43 PolarHBondContact NZ-O 3.41Å; R39-S43 WeakPolarHBondContact O-CB 3.35Å; R39-S43 PolarHBondContact O-N 3.39Å; R39-S43 PolarHBondContact O-OG 2.79Å; I40-S43 WeakPolarHBondContact O-CB 2.78Å; I40-S43 PolarHBondContact O-N 2.8Å; I40-S43 VanDerWaalsContact O-N 3.13Å; L41-S43 PolarHBondContact O-N 2.92Å
44C91.9Very high92.1Very high25 Ų2547 Ų4717%0.16926%0.262CS..Hα-helixtrans-134.3-9.1-169.965.10000115.7K7 V10 I40 L41 P138K7-C44 HydrophobicContact CB-CB 4.43Å; K7-C44 VanDerWaalsContact O-CB 3.29Å; K7-C44 WeakPolarHBondContact O-CB 3.31Å; V10-C44 HydrophobicContact CG1-CB 4.49Å; I40-C44 PolarHBondContact O-N 3.35Å; I40-C44 PolarHBondContact O-SG 3.47Å; L41-C44 PolarHBondContact O-N 3.04Å; C44-P138 HydrophobicContact CB-CG 4.11Å
45C90.6Very high92Very high12 Ų1246.8 Ų46.88%0.08126%0.261CS..  trans-133.3135.5-178.4-64.70000110.9L41 I50L41-C45 HydrophobicContact CD1-CB 3.81Å; L41-C45 HydrophobicContact CG-CB 4.39Å; L41-C45 WeakPolarHBondContact O-CB 3.31Å; L41-C45 PolarHBondContact O-N 3.3Å; C45-I50 HydrophobicContact CB-CD1 4.08Å; C45-I50 HydrophobicContact CB-CG1 4.23Å
46K89.8Confident92.1Very high89 Ų8945 Ų4539%0.38726%0.257SS..  trans-81.1150.5170.5-66.4171.4174152.10110.2S48 D49 I50 D283K46-S48 WeakPolarHBondContact CB-OG 3.44Å; K46-S48 PolarHBondContact O-N 3.21Å; K46-D49 WeakPolarHBondContact CB-OD2 3.5Å; K46-D49 PolarHBondContact N-OD2 2.87Å; K46-D49 WeakPolarHBondContact O-CB 3.35Å; K46-D49 PolarHBondContact O-N 3.5Å; K46-I50 PolarHBondContact O-N 3.33Å; K46-D283 WeakPolarHBondContact CE-OD1 3.41Å; K46-D283 WeakPolarHBondContact CE-OD2 3.23Å; K46-D283 VanDerWaalsContact NZ-CG 3.32Å; K46-D283 IonicContact NZ-OD1 2.8Å; K46-D283 PolarHBondContact NZ-OD1 2.6Å; K46-D283 IonicContact NZ-OD2 2.98Å; K46-D283 PolarHBondContact NZ-OD2 3.21Å
47M89.4Confident92.3Very high102 Ų10246.7 Ų46.750%0.50227%0.266SS..Hα-helixtrans-55.7-35.6171.3-71.6-58.5-59.100112.1D49 I50 L51 V58M47-D49 VanDerWaalsContact C-N 3.28Å; M47-D49 PolarHBondContact O-N 3.38Å; M47-I50 PolarHBondContact O-N 2.95Å; M47-I50 HydrophobicContact SD-CD1 4.23Å; M47-L51 WeakPolarHBondContact O-CB 3.23Å; M47-L51 WeakPolarHBondContact O-CG 3.49Å; M47-L51 PolarHBondContact O-N 3.43Å; M47-V58 HydrophobicContact CE-CB 4.4Å; M47-V58 HydrophobicContact CE-CG2 3.71Å; M47-V58 HydrophobicContact SD-CG2 4.29Å
48S90.8Very high92.3Very high71 Ų7148.4 Ų48.450%0.49728%0.277SS..Hα-helixtrans-58.5-39.9174.451.50000112.9K46 A52K46-S48 WeakPolarHBondContact CB-OG 3.44Å; K46-S48 PolarHBondContact O-N 3.21Å; S48-A52 VanDerWaalsContact O-CB 3.29Å; S48-A52 WeakPolarHBondContact O-CB 3.27Å; S48-A52 PolarHBondContact O-N 3.42Å
49D90.6Very high92.4Very high64 Ų6446.3 Ų46.334%0.34227%0.266SS..Hα-helixtrans-72.7-39-175-51.7-20000109.9L15 K46 M47 E53L15-D49 HydrophobicContact CD1-CB 4.44Å; L15-D49 HydrophobicContact CD2-CB 4.45Å; K46-D49 WeakPolarHBondContact CB-OD2 3.5Å; K46-D49 PolarHBondContact N-OD2 2.87Å; K46-D49 WeakPolarHBondContact O-CB 3.35Å; K46-D49 PolarHBondContact O-N 3.5Å; M47-D49 VanDerWaalsContact C-N 3.28Å; M47-D49 PolarHBondContact O-N 3.38Å; D49-E53 VanDerWaalsContact O-CG 3.31Å; D49-E53 WeakPolarHBondContact O-CG 3.2Å
50I92.4Very high92.5Very high1 Ų144 Ų441%0.00526%0.259CS..Hα-helixtrans-67-46.8176.7-64156.6000110.8I19 L31 L41 C45 K46 M47 A52 E53 V55 V58I19-I50 HydrophobicContact CD1-CB 4.34Å; I19-I50 HydrophobicContact CD1-CG1 3.97Å; I19-I50 HydrophobicContact CD1-CG2 4.04Å; L31-I50 HydrophobicContact CD2-CG2 4.08Å; L41-I50 HydrophobicContact CD1-CD1 3.8Å; L41-I50 HydrophobicContact CD1-CG1 4.27Å; L41-I50 HydrophobicContact CD2-CD1 3.7Å; L41-I50 HydrophobicContact CG-CD1 3.73Å; C45-I50 HydrophobicContact CB-CD1 4.08Å; C45-I50 HydrophobicContact CB-CG1 4.23Å; K46-I50 PolarHBondContact O-N 3.33Å; M47-I50 PolarHBondContact O-N 2.95Å; M47-I50 HydrophobicContact SD-CD1 4.23Å; I50-A52 PolarHBondContact O-N 2.91Å; I50-E53 PolarHBondContact O-N 3.42Å; I50-V55 HydrophobicContact CG2-CB 3.65Å; I50-V55 HydrophobicContact CG2-CG1 3.77Å; I50-V55 HydrophobicContact CG2-CG2 3.86Å; I50-V58 HydrophobicContact CG2-CG2 4.34Å
51L91.7Very high92.6Very high73 Ų7344 Ų4438%0.38226%0.259SS..Hα-helixtrans-66.5-37.7-178.7-67.6175000112.3M47 E53 G54 V55M47-L51 WeakPolarHBondContact O-CB 3.23Å; M47-L51 WeakPolarHBondContact O-CG 3.49Å; M47-L51 PolarHBondContact O-N 3.43Å; L51-E53 PolarHBondContact O-N 3.09Å; L51-E53 VanDerWaalsContact O-N 3.16Å; L51-G54 PolarHBondContact O-N 2.96Å; L51-V55 WeakPolarHBondContact CA-O 3.44Å; L51-V55 WeakPolarHBondContact CD2-O 3.44Å
52A90.8Very high92.6Very high72 Ų7246.3 Ų46.360%0.59527%0.272SS*.Hα-helixtrans-62-21.2176.300000113.1S48 I50S48-A52 VanDerWaalsContact O-CB 3.29Å; S48-A52 WeakPolarHBondContact O-CB 3.27Å; S48-A52 PolarHBondContact O-N 3.42Å; I50-A52 PolarHBondContact O-N 2.91Å
53E92.4Very high92.7Very high42 Ų4248.9 Ų48.920%0.19627%0.272CS..THydrogen-bonded Turntrans-97.616.2-177.6-61.1-63.6175.200114.1I19 K20 K23 D49 I50 L51I19-E53 HydrophobicContact CG2-CB 3.63Å; K20-E53 WeakPolarHBondContact CE-OE1 3.48Å; K20-E53 HydrophobicContact CG-CG 4.33Å; K20-E53 IonicContact NZ-OE1 3.94Å; K23-E53 WeakPolarHBondContact CD-O 3.34Å; K23-E53 WeakPolarHBondContact CD-OE2 3.47Å; K23-E53 WeakPolarHBondContact CG-O 3.38Å; K23-E53 IonicContact NZ-OE2 2.58Å; K23-E53 PolarHBondContact NZ-OE2 3.07Å; D49-E53 VanDerWaalsContact O-CG 3.31Å; D49-E53 WeakPolarHBondContact O-CG 3.2Å; I50-E53 PolarHBondContact O-N 3.42Å; L51-E53 PolarHBondContact O-N 3.09Å; L51-E53 VanDerWaalsContact O-N 3.16Å
54G91.3Very high92.6Very high12 Ų1259.9 Ų59.912%0.12431%0.309CS..THydrogen-bonded Turntrans92.513.8171.400000114.7W28 K29 L51W28-G54 WeakPolarHBondContact CA-O 3.27Å; K29-G54 PolarHBondContact N-O 3.17Å; L51-G54 PolarHBondContact O-N 2.96Å
55V95.4Very high92.6Very high1 Ų160.6 Ų60.61%0.00631%0.308CS..EExtended strand (participates in β ladder)trans-88.2134.3167177.70000108.7I19 K29 L31 I50 L51 V58 I74I19-V55 HydrophobicContact CG2-CG2 3.85Å; K29-V55 CarbonylContact O-C 3.55Å; K29-V55 WeakPolarHBondContact O-CA 3.33Å; L31-V55 HydrophobicContact CB-CG1 3.6Å; L31-V55 HydrophobicContact CB-CG2 4.39Å; I50-V55 HydrophobicContact CG2-CB 3.65Å; I50-V55 HydrophobicContact CG2-CG1 3.77Å; I50-V55 HydrophobicContact CG2-CG2 3.86Å; L51-V55 WeakPolarHBondContact CA-O 3.44Å; L51-V55 WeakPolarHBondContact CD2-O 3.44Å; V55-V58 HydrophobicContact CG1-CG2 4.34Å; V55-I74 HydrophobicContact CG2-CD1 4.3Å
56T93.8Very high92.5Very high68 Ų6867.4 Ų67.442%0.41734%0.339SS..EExtended strand (participates in β ladder)trans-99.8-31.7178.5-170.70000113.5W28 K29 L71W28-T56 HydrophobicContact CB-CG2 4.49Å; K29-T56 PolarHBondContact O-N 3.49Å; T56-L71 HydrophobicContact CG2-CD1 3.86Å
57I94.3Very high92.6Very high71 Ų7167.8 Ų67.836%0.36435%0.35SS..EExtended strand (participates in β ladder)trans-152.6146.1-176.4-164.6176000109.4V30 L31 E59V30-I57 HydrophobicContact CB-CG2 4.28Å; V30-I57 HydrophobicContact CG1-CG2 3.69Å; V30-I57 HydrophobicContact CG2-CG2 4Å; L31-I57 PolarHBondContact N-O 3.32Å; I57-E59 HydrophobicContact CD1-CG 4.25Å; I57-E59 HydrophobicContact CG1-CG 4.27Å; I57-E59 HydrophobicContact CG2-CG 4.33Å
58V95.6Very high92.7Very high38 Ų3865.3 Ų65.323%0.2334%0.338CS..EExtended strand (participates in β ladder)trans-112123.9174.7-1750000107.7L31 V33 M47 I50 V55L31-V58 HydrophobicContact CB-CG2 4.22Å; L31-V58 HydrophobicContact CD2-CG1 4.34Å; L31-V58 HydrophobicContact CD2-CG2 4.06Å; L31-V58 HydrophobicContact CG-CG1 4.4Å; L31-V58 CarbonylContact O-C 3.6Å; L31-V58 VanDerWaalsContact O-CA 3.26Å; L31-V58 WeakPolarHBondContact O-CA 3.35Å; V33-V58 HydrophobicContact CG2-CG1 3.78Å; M47-V58 HydrophobicContact CE-CB 4.4Å; M47-V58 HydrophobicContact CE-CG2 3.71Å; M47-V58 HydrophobicContact SD-CG2 4.29Å; I50-V58 HydrophobicContact CG2-CG2 4.34Å; V55-V58 HydrophobicContact CG1-CG2 4.34Å
59E95.6Very high92.7Very high30 Ų3064.9 Ų64.914%0.1434%0.339CS..EExtended strand (participates in β ladder)trans-125.6151.6-178.7-56.3-170.899.500112.1V30 L31 I32 V33 I57 R65 Y98V30-E59 HydrophobicContact CG1-CG 4.39Å; L31-E59 PolarHBondContact O-N 3.38Å; I32-E59 WeakPolarHBondContact CA-O 3.38Å; I32-E59 HydrophobicContact CD1-CB 3.84Å; I32-E59 HydrophobicContact CD1-CG 4.44Å; V33-E59 PolarHBondContact N-O 2.93Å; I57-E59 HydrophobicContact CD1-CG 4.25Å; I57-E59 HydrophobicContact CG1-CG 4.27Å; I57-E59 HydrophobicContact CG2-CG 4.33Å; E59-R65 HydrophobicContact CB-CG 4.01Å; E59-R65 HydrophobicContact CG-CG 4.44Å; E59-R65 WeakPolarHBondContact OE1-CB 3.34Å; E59-R65 WeakPolarHBondContact OE1-CG 3.4Å; E59-Y98 PolarHBondContact OE2-OH 2.98Å
60D96.1Very high92.8Very high25 Ų2566.1 Ų66.113%0.13435%0.353CS..EExtended strand (participates in β ladder)trans-85.6123.3174.2-177.6-13.2000110.3V33 M38 N62 K63 R65V33-D60 CarbonylContact O-C 3.58Å; V33-D60 VanDerWaalsContact O-CA 3.3Å; V33-D60 WeakPolarHBondContact O-CA 3.24Å; M38-D60 HydrophobicContact CE-CB 4.07Å; D60-N62 PolarHBondContact O-N 3.13Å; D60-N62 VanDerWaalsContact O-N 3.13Å; D60-N62 WeakPolarHBondContact OD1-CB 3.34Å; D60-N62 PolarHBondContact OD1-N 3.11Å; D60-N62 PolarHBondContact OD1-ND2 3.21Å; D60-K63 HydrophobicContact CB-CB 4.27Å; D60-K63 HydrophobicContact CB-CD 3.96Å; D60-K63 HydrophobicContact CB-CG 3.97Å; D60-K63 PolarHBondContact O-N 3.32Å; D60-K63 VanDerWaalsContact O-N 3.08Å; D60-K63 WeakPolarHBondContact OD2-CE 3.26Å; D60-R65 WeakPolarHBondContact O-CD 3.41Å; D60-R65 PolarHBondContact O-NE 3.44Å
61I96.3Very high92.9Very high4 Ų467.9 Ų67.92%0.02136%0.362CS..THydrogen-bonded Turntrans-58.1-28179.9-161.6172000112.9I32 V33 D34 R65 Y75 I77 S83 A86 L87I32-I61 HydrophobicContact CG2-CB 3.62Å; I32-I61 HydrophobicContact CG2-CD1 4.21Å; I32-I61 HydrophobicContact CG2-CG1 3.82Å; V33-I61 PolarHBondContact O-N 3.44Å; D34-I61 HydrophobicContact CB-CG2 3.78Å; I61-R65 PolarHBondContact O-NH2 3.1Å; I61-Y75 HydrophobicContact CD1-CD1 4.03Å; I61-Y75 HydrophobicContact CD1-CE1 4.18Å; I61-I77 HydrophobicContact CD1-CD1 4.14Å; I61-I77 HydrophobicContact CD1-CG2 3.97Å; I61-S83 WeakPolarHBondContact CD1-O 3.22Å; I61-A86 HydrophobicContact CD1-CB 3.93Å; I61-A86 HydrophobicContact CG1-CB 3.67Å; I61-L87 HydrophobicContact CD1-CB 4.32Å
62N93.3Very high93.2Very high56 Ų5664.8 Ų64.830%0.29935%0.346SS..THydrogen-bonded Turntrans-85.7-9.6-177.1-57.9-76.4000113.4D60 K82D60-N62 PolarHBondContact O-N 3.13Å; D60-N62 VanDerWaalsContact O-N 3.13Å; D60-N62 WeakPolarHBondContact OD1-CB 3.34Å; D60-N62 PolarHBondContact OD1-N 3.11Å; D60-N62 PolarHBondContact OD1-ND2 3.21Å; N62-K82 VanDerWaalsContact OD1-CD 3.3Å; N62-K82 WeakPolarHBondContact OD1-CD 3.34Å; N62-K82 WeakPolarHBondContact OD1-CE 3.44Å; N62-K82 PolarHBondContact OD1-NZ 2.73Å
63K93.1Very high93.5Very high141 Ų14161.3 Ų61.361%0.61332%0.317SS*.SBendtrans-96157.6176.8-66.1-177.7-173.1172.10110.3D60 R65D60-K63 HydrophobicContact CB-CB 4.27Å; D60-K63 HydrophobicContact CB-CD 3.96Å; D60-K63 HydrophobicContact CB-CG 3.97Å; D60-K63 PolarHBondContact O-N 3.32Å; D60-K63 VanDerWaalsContact O-N 3.08Å; D60-K63 WeakPolarHBondContact OD2-CE 3.26Å; K63-R65 PolarHBondContact O-N 3.28Å; K63-R65 PolarHBondContact O-NE 3.37Å
64R89Confident93.7Very high261 Ų26159.5 Ų59.599%0.98531%0.309SS*.  trans-67.4131.3168.6-78.8-171176.9-137.60.8108.8
65R92.5Very high94.1Very high39 Ų3958.9 Ų58.915%0.14730%0.303CS..  trans-124.2151-175.7-67.5167.5-79139.72.5109.5E59 D60 I61 K63 D90 Y98E59-R65 HydrophobicContact CB-CG 4.01Å; E59-R65 HydrophobicContact CG-CG 4.44Å; E59-R65 WeakPolarHBondContact OE1-CB 3.34Å; E59-R65 WeakPolarHBondContact OE1-CG 3.4Å; D60-R65 WeakPolarHBondContact O-CD 3.41Å; D60-R65 PolarHBondContact O-NE 3.44Å; I61-R65 PolarHBondContact O-NH2 3.1Å; K63-R65 PolarHBondContact O-N 3.28Å; K63-R65 PolarHBondContact O-NE 3.37Å; R65-D90 IonicContact CZ-OD1 3.35Å; R65-D90 IonicContact CZ-OD2 2.73Å; R65-D90 IonicContact NH1-OD1 2.7Å; R65-D90 IonicContact NH1-OD2 3.29Å; R65-D90 PolarHBondContact NH1-OD2 2.94Å; R65-D90 VanDerWaalsContact NH2-CG 3.34Å; R65-D90 IonicContact NH2-OD1 3.48Å; R65-D90 PolarHBondContact NH2-OD1 3.03Å; R65-D90 IonicContact NH2-OD2 3.93Å; R65-D90 PolarHBondContact NH2-OD2 2.96Å; R65-Y98 PolarHBondContact NH1-OH 2.79Å
66E89.1Confident94.2Very high156 Ų15659 Ų5973%0.72930%0.304SS*.  trans-79132.5175.7-69.1-171.9169.400109.9I68E66-I68 PolarHBondContact O-N 3.46Å
67P90.9Very high94.3Very high97 Ų9755.8 Ų55.863%0.6328%0.284SS*.  trans-63.3121.1175.6-25.436.1000112.5T97P67-T97 CarbonylContact C-O 3.37Å; P67-T97 HydrophobicContact CB-CG2 4.44Å
68I92.8Very high94.4Very high49 Ų4953 Ų5325%0.25127%0.27SS..BIsolated β-bridgetrans-117.569.9174.7-45.4177.8000109.1V30 E66 S70 L71 T97V30-I68 HydrophobicContact CG2-CD1 4.21Å; E66-I68 PolarHBondContact O-N 3.46Å; I68-S70 PolarHBondContact O-N 3.06Å; I68-L71 HydrophobicContact CG2-CB 4.06Å; I68-L71 HydrophobicContact CG2-CD1 3.84Å; I68-L71 HydrophobicContact CG2-CG 3.7Å; I68-L71 PolarHBondContact O-N 3.41Å; I68-L71 VanDerWaalsContact O-N 3.07Å; I68-T97 CarbonylContact C-O 3.41Å; I68-T97 PolarHBondContact N-O 3.24Å
69A90.6Very high94.3Very high62 Ų6251.7 Ų51.751%0.51226%0.262SS..THydrogen-bonded Turntrans-62.3-12-174.800000114.7T97 K99A69-T97 PolarHBondContact N-O 2.9Å; A69-K99 WeakPolarHBondContact O-CB 3.47Å
70S92.1Very high94.2Very high91 Ų9153.5 Ų53.564%0.63628%0.275SS*.THydrogen-bonded Turntrans-81.5-24176.155.90000113.7I68I68-S70 PolarHBondContact O-N 3.06Å
71L95.1Very high94.2Very high38 Ų3857.1 Ų57.120%0.19929%0.291CS..SBendtrans-104.2154.8-175.2-60.4-173.6000112.1W28 V30 T56 I68 K99W28-L71 HydrophobicContact CB-CD2 4.27Å; V30-L71 HydrophobicContact CG2-CB 4.15Å; V30-L71 HydrophobicContact CG2-CD1 3.93Å; T56-L71 HydrophobicContact CG2-CD1 3.86Å; I68-L71 HydrophobicContact CG2-CB 4.06Å; I68-L71 HydrophobicContact CG2-CD1 3.84Å; I68-L71 HydrophobicContact CG2-CG 3.7Å; I68-L71 PolarHBondContact O-N 3.41Å; I68-L71 VanDerWaalsContact O-N 3.07Å; L71-K99 VanDerWaalsContact O-CB 3.26Å; L71-K99 WeakPolarHBondContact O-CB 3.2Å; L71-K99 PolarHBondContact O-N 2.77Å
72E96.3Very high94.1Very high7 Ų763.5 Ų63.53%0.03332%0.319CS..EExtended strand (participates in β ladder)trans-90.1146.6171.9-57.5-176.4-176.100109.6K29 V30 K99 A100 H102 K127K29-E72 VanDerWaalsContact CA-O 3.28Å; K29-E72 WeakPolarHBondContact CA-O 3.42Å; K29-E72 WeakPolarHBondContact CB-O 3.49Å; K29-E72 HydrophobicContact CD-CB 4.42Å; K29-E72 HydrophobicContact CG-CB 4.29Å; V30-E72 PolarHBondContact N-O 2.96Å; E72-K99 HydrophobicContact CG-CB 4.14Å; E72-K99 HydrophobicContact CG-CD 4.12Å; E72-K99 HydrophobicContact CG-CG 4.43Å; E72-K99 IonicContact OE1-NZ 3.79Å; E72-A100 HydrophobicContact CB-CB 4.45Å; E72-A100 HydrophobicContact CG-CB 4.01Å; E72-H102 IonicContact OE2-NE2 3.93Å; E72-H102 PolarHBondContact OE2-NE2 3.08Å; E72-K127 IonicContact OE1-NZ 2.85Å; E72-K127 PolarHBondContact OE1-NZ 2.91Å; E72-K127 IonicContact OE2-NZ 2.76Å; E72-K127 PolarHBondContact OE2-NZ 3.21Å
73A97.2Very high94.3Very high0 Ų061 Ų610%031%0.306CS..EExtended strand (participates in β ladder)trans-109.9136.3-17900000111.6V30 I32 Y75 Y98 A100 A101 H102V30-A73 CarbonylContact O-C 3.58Å; V30-A73 WeakPolarHBondContact O-CA 3.33Å; I32-A73 HydrophobicContact CG1-CB 4.18Å; A73-Y75 HydrophobicContact CB-CD2 4.16Å; A73-Y75 HydrophobicContact CB-CE2 3.6Å; A73-Y98 HydrophobicContact CB-CD1 3.93Å; A73-Y98 HydrophobicContact CB-CD2 3.59Å; A73-Y98 HydrophobicContact CB-CE1 4.42Å; A73-Y98 HydrophobicContact CB-CE2 4.11Å; A73-Y98 HydrophobicContact CB-CG 3.49Å; A73-Y98 VanDerWaalsContact CB-CG 3.49Å; A73-A100 PolarHBondContact N-O 3.15Å; A73-A101 CarbonylContact O-C 3.59Å; A73-H102 PolarHBondContact O-N 3.27Å
74I98.1Very high94.4Very high3 Ų354.4 Ų54.42%0.01528%0.277CS..EExtended strand (participates in β ladder)trans-98.9111.3170.4-52.9173.8000106.3V18 V22 K29 V30 L31 I32 V55 H102 F104V18-I74 HydrophobicContact CG1-CG2 3.81Å; V22-I74 HydrophobicContact CG2-CD1 3.37Å; V22-I74 HydrophobicContact CG2-CG1 3.78Å; K29-I74 HydrophobicContact CB-CD1 4.07Å; K29-I74 HydrophobicContact CB-CG1 4.14Å; K29-I74 HydrophobicContact CD-CD1 4.06Å; K29-I74 HydrophobicContact CD-CG1 4.02Å; V30-I74 PolarHBondContact O-N 3.5Å; L31-I74 CarbonylContact C-O 3.51Å; L31-I74 HydrophobicContact CD1-CB 3.94Å; L31-I74 HydrophobicContact CD1-CG2 3.84Å; I32-I74 PolarHBondContact N-O 3.48Å; V55-I74 HydrophobicContact CG2-CD1 4.3Å; I74-H102 CarbonylContact C-O 3.55Å; I74-H102 WeakPolarHBondContact CA-O 3.29Å; I74-F104 HydrophobicContact CG2-CD2 3.92Å; I74-F104 HydrophobicContact CG2-CE2 4.02Å
75Y98.1Very high94.7Very high0 Ų048.7 Ų48.70%026%0.256CS..EExtended strand (participates in β ladder)trans-93.4105.9173.9-69.2-95.1000108.2I32 I61 A73 L87 D90 F91 Y98 A101 H102 F104I32-Y75 HydrophobicContact CB-CD1 3.72Å; I32-Y75 HydrophobicContact CB-CE1 3.94Å; I32-Y75 HydrophobicContact CB-CG 4.25Å; I32-Y75 HydrophobicContact CG1-CD1 4.24Å; I32-Y75 HydrophobicContact CG1-CE1 4.03Å; I32-Y75 HydrophobicContact CG2-CD1 3.66Å; I32-Y75 HydrophobicContact CG2-CE1 3.72Å; I32-Y75 WeakPolarHBondContact O-CA 3.44Å; I61-Y75 HydrophobicContact CD1-CD1 4.03Å; I61-Y75 HydrophobicContact CD1-CE1 4.18Å; A73-Y75 HydrophobicContact CB-CD2 4.16Å; A73-Y75 HydrophobicContact CB-CE2 3.6Å; Y75-L87 HydrophobicContact CD1-CD1 3.68Å; Y75-L87 HydrophobicContact CD2-CD1 3.76Å; Y75-L87 HydrophobicContact CE1-CB 4.45Å; Y75-L87 HydrophobicContact CE1-CD1 3.56Å; Y75-L87 HydrophobicContact CE2-CD1 3.65Å; Y75-L87 HydrophobicContact CG-CD1 3.76Å; Y75-D90 WeakPolarHBondContact CE1-OD2 3.29Å; Y75-D90 WeakPolarHBondContact OH-CB 3.45Å; Y75-D90 PolarHBondContact OH-OD2 2.94Å; Y75-F91 AromaticContact CE2-CE2 3.94Å; Y75-F91 HydrophobicContact CE2-CE2 3.94Å; Y75-F91 HydrophobicContact CE2-CZ 4.26Å; Y75-F91 AromaticContact CZ-CE2 3.93Å; Y75-F91 WeakPolarHBondContact OH-CE2 3.35Å; Y75-Y98 WeakPolarHBondContact OH-CD2 3.43Å; Y75-Y98 WeakPolarHBondContact OH-CE2 3.45Å; Y75-A101 HydrophobicContact CD2-CB 3.97Å; Y75-A101 HydrophobicContact CE2-CB 3.83Å; Y75-H102 PolarHBondContact N-O 3.11Å; Y75-F104 WeakPolarHBondContact O-CA 3.21Å; Y75-F104 PolarHBondContact O-N 2.87Å
76L97.8Very high94.8Very high4 Ų447.7 Ų47.72%0.02126%0.256CS..EExtended strand (participates in β ladder)trans-104.797.3168.2175.160.1000106.9I14 V18 L31 I32 V33 T37 F104 I132I14-L76 HydrophobicContact CG2-CD2 4.13Å; V18-L76 HydrophobicContact CG2-CD1 4.42Å; L31-L76 HydrophobicContact CD1-CB 4.18Å; I32-L76 PolarHBondContact O-N 3.41Å; V33-L76 WeakPolarHBondContact CA-O 3.5Å; V33-L76 HydrophobicContact CG1-CB 4.3Å; T37-L76 WeakPolarHBondContact CB-O 3.36Å; T37-L76 HydrophobicContact CG2-CG 4.15Å; T37-L76 WeakPolarHBondContact CG2-O 3.38Å; T37-L76 PolarHBondContact OG1-O 3.13Å; L76-F104 WeakPolarHBondContact CA-O 3.47Å; L76-F104 HydrophobicContact CD1-CB 4.07Å; L76-I132 HydrophobicContact CD1-CD1 3.66Å; L76-I132 HydrophobicContact CD1-CG1 4.44Å
77I97.3Very high95.2Very high0 Ų040.3 Ų40.30%022%0.221CC..EExtended strand (participates in β ladder)trans-139.7157.2-168.256.6175000112D34 I61 L87 F104 F105 T106D34-I77 HydrophobicContact CB-CG2 4.49Å; I61-I77 HydrophobicContact CD1-CD1 4.14Å; I61-I77 HydrophobicContact CD1-CG2 3.97Å; I77-L87 HydrophobicContact CD1-CB 4.37Å; I77-L87 HydrophobicContact CD1-CD2 4.29Å; I77-F104 PolarHBondContact N-O 2.95Å; I77-F105 HydrophobicContact CD1-CE1 3.95Å; I77-F105 HydrophobicContact CG1-CD1 4.02Å; I77-F105 HydrophobicContact CG1-CE1 3.91Å; I77-F105 VanDerWaalsContact O-CA 3.31Å; I77-F105 WeakPolarHBondContact O-CA 3.15Å; I77-T106 PolarHBondContact O-N 3.1Å; I77-T106 VanDerWaalsContact O-N 3.13Å
78T95.3Very high95.4Very high13 Ų1337.3 Ų37.38%0.0820%0.2CC..  trans-73.2142.7167.761.80000110.8D34 M36 T37 V80 S83 T106D34-T78 VanDerWaalsContact OD2-CB 3.29Å; D34-T78 WeakPolarHBondContact OD2-CB 3.3Å; D34-T78 WeakPolarHBondContact OD2-CG2 3.29Å; D34-T78 PolarHBondContact OD2-N 2.97Å; D34-T78 PolarHBondContact OD2-OG1 3.02Å; M36-T78 HydrophobicContact CB-CG2 3.84Å; M36-T78 HydrophobicContact CG-CG2 4.16Å; M36-T78 HydrophobicContact SD-CG2 3.62Å; T37-T78 HydrophobicContact CG2-CG2 4.39Å; T78-V80 PolarHBondContact O-N 2.87Å; T78-V80 WeakPolarHBondContact OG1-CG2 3.19Å; T78-S83 VanDerWaalsContact O-CB 3.32Å; T78-S83 WeakPolarHBondContact O-CB 3.44Å; T78-T106 WeakPolarHBondContact CA-OG1 3.5Å; T78-T106 HydrophobicContact CG2-CG2 4.07Å
79P94.6Very high95.4Very high10 Ų1039.4 Ų39.47%0.06521%0.211CC..  trans-78.452.4178.935.4-36000111.2F105 T106 D107 C109 L113P79-F105 HydrophobicContact CB-CB 4.4Å; P79-F105 HydrophobicContact CB-CD1 3.7Å; P79-F105 HydrophobicContact CB-CE1 4.13Å; P79-F105 HydrophobicContact CB-CG 4.05Å; P79-T106 WeakPolarHBondContact CD-OG1 3.44Å; P79-D107 WeakPolarHBondContact CD-OD1 3.19Å; P79-D107 WeakPolarHBondContact CG-OD1 3.46Å; P79-C109 HydrophobicContact CB-CB 4.04Å; P79-L113 WeakPolarHBondContact O-CD1 3.39Å
80V93.6Very high95.6Very high68 Ų6837.3 Ų37.341%0.41219%0.192SC..  trans-100.5152.3174.8-59.20000110.8T78 K82 S83 V84T78-V80 PolarHBondContact O-N 2.87Å; T78-V80 WeakPolarHBondContact OG1-CG2 3.19Å; V80-K82 HydrophobicContact CG2-CB 4.42Å; V80-K82 PolarHBondContact O-N 2.94Å; V80-K82 VanDerWaalsContact O-N 3.11Å; V80-S83 WeakPolarHBondContact CG2-OG 3.47Å; V80-S83 PolarHBondContact O-N 3.31Å; V80-S83 VanDerWaalsContact O-N 3.08Å; V80-V84 PolarHBondContact O-N 3.27Å
81E94.4Very high95.6Very high100 Ų10033 Ų3347%0.46716%0.161SC..Hα-helixtrans-52.2-38.9-177.4-174.1-179-161.600112.8R85 L113E81-R85 VanDerWaalsContact CD-CZ 3.5Å; E81-R85 VanDerWaalsContact CD-NH1 3.33Å; E81-R85 HydrophobicContact CG-CG 4.48Å; E81-R85 WeakPolarHBondContact O-CB 3.29Å; E81-R85 WeakPolarHBondContact O-CG 3.18Å; E81-R85 PolarHBondContact O-N 2.82Å; E81-R85 IonicContact OE1-CZ 3.42Å; E81-R85 IonicContact OE1-NE 3.61Å; E81-R85 IonicContact OE1-NH1 3.74Å; E81-R85 PolarHBondContact OE1-NH1 2.69Å; E81-R85 IonicContact OE1-NH2 3.36Å; E81-R85 PolarHBondContact OE1-NH2 3.07Å; E81-L113 HydrophobicContact CB-CD2 4.3Å; E81-L113 HydrophobicContact CG-CD2 4.5Å
82K95.5Very high95.2Very high139 Ų13937.8 Ų37.860%0.60418%0.181SC*.Hα-helixtrans-63-50.3178.4-168.6-174-176.2-164.30112.1N62 V80 A86N62-K82 VanDerWaalsContact OD1-CD 3.3Å; N62-K82 WeakPolarHBondContact OD1-CD 3.34Å; N62-K82 WeakPolarHBondContact OD1-CE 3.44Å; N62-K82 PolarHBondContact OD1-NZ 2.73Å; V80-K82 HydrophobicContact CG2-CB 4.42Å; V80-K82 PolarHBondContact O-N 2.94Å; V80-K82 VanDerWaalsContact O-N 3.11Å; K82-A86 WeakPolarHBondContact O-CB 3.47Å; K82-A86 PolarHBondContact O-N 2.97Å; K82-A86 VanDerWaalsContact O-N 3.08Å
83S96.2Very high94.5Very high3 Ų342.9 Ų42.92%0.02121%0.208CC..Hα-helixtrans-68.4-44.1-179.1-60.80000111.3D34 I61 T78 V80 R85 A86 L87D34-S83 PolarHBondContact OD2-OG 2.9Å; I61-S83 WeakPolarHBondContact CD1-O 3.22Å; T78-S83 VanDerWaalsContact O-CB 3.32Å; T78-S83 WeakPolarHBondContact O-CB 3.44Å; V80-S83 WeakPolarHBondContact CG2-OG 3.47Å; V80-S83 PolarHBondContact O-N 3.31Å; V80-S83 VanDerWaalsContact O-N 3.08Å; S83-R85 PolarHBondContact O-N 3.19Å; S83-A86 PolarHBondContact O-N 3.05Å; S83-L87 PolarHBondContact O-N 2.96Å
84V96.1Very high93.1Very high2 Ų246.9 Ų46.91%0.01224%0.241CC..Hα-helixtrans-64.4-42178.3173.10000111.7V80 A86 L87 I88 F105 L113 I117V80-V84 PolarHBondContact O-N 3.27Å; V84-A86 PolarHBondContact O-N 3.12Å; V84-L87 WeakPolarHBondContact O-CB 3.49Å; V84-L87 PolarHBondContact O-N 2.99Å; V84-I88 HydrophobicContact CG1-CD1 3.99Å; V84-I88 VanDerWaalsContact O-CG1 3.31Å; V84-I88 WeakPolarHBondContact O-CG1 3.46Å; V84-I88 PolarHBondContact O-N 2.89Å; V84-F105 HydrophobicContact CG2-CE1 4.02Å; V84-F105 HydrophobicContact CG2-CZ 4.19Å; V84-L113 HydrophobicContact CG1-CB 4.39Å; V84-L113 HydrophobicContact CG1-CD2 4.49Å; V84-L113 HydrophobicContact CG2-CB 4.36Å; V84-L113 HydrophobicContact CG2-CD1 4.24Å; V84-I117 HydrophobicContact CG1-CD1 3.88Å; V84-I117 HydrophobicContact CG1-CG1 3.71Å; V84-I117 HydrophobicContact CG2-CD1 4.45Å
85R95.4Very high91.9Very high142 Ų14250.9 Ų50.954%0.53627%0.274SS..Hα-helixtrans-64.1-40.1174.8-77.5178171159.63112.5E81 S83 I88 N89E81-R85 VanDerWaalsContact CD-CZ 3.5Å; E81-R85 VanDerWaalsContact CD-NH1 3.33Å; E81-R85 HydrophobicContact CG-CG 4.48Å; E81-R85 WeakPolarHBondContact O-CB 3.29Å; E81-R85 WeakPolarHBondContact O-CG 3.18Å; E81-R85 PolarHBondContact O-N 2.82Å; E81-R85 IonicContact OE1-CZ 3.42Å; E81-R85 IonicContact OE1-NE 3.61Å; E81-R85 IonicContact OE1-NH1 3.74Å; E81-R85 PolarHBondContact OE1-NH1 2.69Å; E81-R85 IonicContact OE1-NH2 3.36Å; E81-R85 PolarHBondContact OE1-NH2 3.07Å; S83-R85 PolarHBondContact O-N 3.19Å; R85-I88 PolarHBondContact O-N 2.8Å; R85-N89 WeakPolarHBondContact O-CB 3.11Å; R85-N89 PolarHBondContact O-N 2.97Å; R85-N89 PolarHBondContact O-ND2 3.14Å
86A95.3Very high90.9Very high18 Ų1852.7 Ų52.715%0.14928%0.283CS..Hα-helixtrans-64.2-41.9176.800000111.4I61 K82 S83 V84 I88 N89 D90I61-A86 HydrophobicContact CD1-CB 3.93Å; I61-A86 HydrophobicContact CG1-CB 3.67Å; K82-A86 WeakPolarHBondContact O-CB 3.47Å; K82-A86 PolarHBondContact O-N 2.97Å; K82-A86 VanDerWaalsContact O-N 3.08Å; S83-A86 PolarHBondContact O-N 3.05Å; V84-A86 PolarHBondContact O-N 3.12Å; A86-I88 PolarHBondContact O-N 2.85Å; A86-N89 PolarHBondContact O-N 3.33Å; A86-D90 PolarHBondContact O-N 3.46Å; A86-D90 VanDerWaalsContact O-N 3.1Å
87L95.9Very high90.4Very high0 Ų053.5 Ų53.50%029%0.288CS..Hα-helixtrans-57-47.8170.8167.866.6000111.7I61 Y75 I77 S83 V84 N89 D90 F91 I103 V122I61-L87 HydrophobicContact CD1-CB 4.32Å; Y75-L87 HydrophobicContact CD1-CD1 3.68Å; Y75-L87 HydrophobicContact CD2-CD1 3.76Å; Y75-L87 HydrophobicContact CE1-CB 4.45Å; Y75-L87 HydrophobicContact CE1-CD1 3.56Å; Y75-L87 HydrophobicContact CE2-CD1 3.65Å; Y75-L87 HydrophobicContact CG-CD1 3.76Å; I77-L87 HydrophobicContact CD1-CB 4.37Å; I77-L87 HydrophobicContact CD1-CD2 4.29Å; S83-L87 PolarHBondContact O-N 2.96Å; V84-L87 WeakPolarHBondContact O-CB 3.49Å; V84-L87 PolarHBondContact O-N 2.99Å; L87-N89 VanDerWaalsContact C-N 3.29Å; L87-N89 PolarHBondContact O-N 3.26Å; L87-D90 PolarHBondContact O-N 2.97Å; L87-F91 HydrophobicContact CD1-CD2 4.5Å; L87-F91 HydrophobicContact CD1-CE2 4.14Å; L87-F91 WeakPolarHBondContact O-CD2 3.38Å; L87-I103 HydrophobicContact CD1-CG1 4.4Å; L87-I103 HydrophobicContact CD2-CD1 3.85Å; L87-I103 HydrophobicContact CD2-CG1 4.08Å; L87-I103 HydrophobicContact CD2-CG2 4.24Å; L87-V122 HydrophobicContact CD1-CG2 4.03Å; L87-V122 HydrophobicContact CG-CG2 4.28Å
88I95.2Very high90.2Very high35 Ų3553.6 Ų53.618%0.17929%0.288CS..Hα-helixtrans-62-39.8178.7-69.1168.1000111V84 R85 A86 D90 F91 K92 D116 V122V84-I88 HydrophobicContact CG1-CD1 3.99Å; V84-I88 VanDerWaalsContact O-CG1 3.31Å; V84-I88 WeakPolarHBondContact O-CG1 3.46Å; V84-I88 PolarHBondContact O-N 2.89Å; R85-I88 PolarHBondContact O-N 2.8Å; A86-I88 PolarHBondContact O-N 2.85Å; I88-D90 VanDerWaalsContact C-N 3.33Å; I88-D90 PolarHBondContact O-N 3.39Å; I88-F91 PolarHBondContact O-N 3.43Å; I88-K92 PolarHBondContact O-N 3.41Å; I88-D116 HydrophobicContact CD1-CB 4.33Å; I88-V122 HydrophobicContact CG1-CG1 4.47Å
89N93.5Very high90.2Very high93 Ų9358.3 Ų58.350%0.49731%0.307SS..Hα-helixtrans-65.4-33.8-179.8-73.4-28.5000112.7R85 A86 L87 F91 K92R85-N89 WeakPolarHBondContact O-CB 3.11Å; R85-N89 PolarHBondContact O-N 2.97Å; R85-N89 PolarHBondContact O-ND2 3.14Å; A86-N89 PolarHBondContact O-N 3.33Å; L87-N89 VanDerWaalsContact C-N 3.29Å; L87-N89 PolarHBondContact O-N 3.26Å; N89-F91 PolarHBondContact O-N 2.9Å; N89-F91 VanDerWaalsContact O-N 3.1Å; N89-K92 PolarHBondContact O-N 2.92Å
90D94.1Very high90.2Very high18 Ų1858 Ų5810%0.09631%0.306CS..Hα-helixtrans-60.7-20.3176.4-72.8-10.7000113.1R65 Y75 A86 L87 I88 T97R65-D90 IonicContact CZ-OD1 3.35Å; R65-D90 IonicContact CZ-OD2 2.73Å; R65-D90 IonicContact NH1-OD1 2.7Å; R65-D90 IonicContact NH1-OD2 3.29Å; R65-D90 PolarHBondContact NH1-OD2 2.94Å; R65-D90 VanDerWaalsContact NH2-CG 3.34Å; R65-D90 IonicContact NH2-OD1 3.48Å; R65-D90 PolarHBondContact NH2-OD1 3.03Å; R65-D90 IonicContact NH2-OD2 3.93Å; R65-D90 PolarHBondContact NH2-OD2 2.96Å; Y75-D90 WeakPolarHBondContact CE1-OD2 3.29Å; Y75-D90 WeakPolarHBondContact OH-CB 3.45Å; Y75-D90 PolarHBondContact OH-OD2 2.94Å; A86-D90 PolarHBondContact O-N 3.46Å; A86-D90 VanDerWaalsContact O-N 3.1Å; L87-D90 PolarHBondContact O-N 2.97Å; I88-D90 VanDerWaalsContact C-N 3.33Å; I88-D90 PolarHBondContact O-N 3.39Å; D90-T97 PolarHBondContact O-N 3.4Å; D90-T97 VanDerWaalsContact O-N 3.08Å; D90-T97 PolarHBondContact O-OG1 3.34Å; D90-T97 VanDerWaalsContact O-OG1 3.14Å
91F93.1Very high90.4Very high0 Ų054.8 Ų54.80%029%0.286CS..THydrogen-bonded Turntrans-118.911.7-178.7-62.5-89.6000114.2Y75 L87 I88 N89 F96 Y98 A101 R121 V122 F125Y75-F91 AromaticContact CE2-CE2 3.94Å; Y75-F91 HydrophobicContact CE2-CE2 3.94Å; Y75-F91 HydrophobicContact CE2-CZ 4.26Å; Y75-F91 AromaticContact CZ-CE2 3.93Å; Y75-F91 WeakPolarHBondContact OH-CE2 3.35Å; L87-F91 HydrophobicContact CD1-CD2 4.5Å; L87-F91 HydrophobicContact CD1-CE2 4.14Å; L87-F91 WeakPolarHBondContact O-CD2 3.38Å; I88-F91 PolarHBondContact O-N 3.43Å; N89-F91 PolarHBondContact O-N 2.9Å; N89-F91 VanDerWaalsContact O-N 3.1Å; F91-F96 HydrophobicContact CB-CD1 4.23Å; F91-F96 HydrophobicContact CD1-CB 4.28Å; F91-F96 HydrophobicContact CD1-CD1 4.04Å; F91-F96 HydrophobicContact CD1-CG 4.45Å; F91-Y98 WeakPolarHBondContact CE1-O 3.23Å; F91-A101 HydrophobicContact CE2-CB 3.97Å; F91-A101 HydrophobicContact CZ-CB 3.76Å; F91-R121 WeakPolarHBondContact O-CD 3.36Å; F91-V122 HydrophobicContact CB-CB 4.04Å; F91-V122 HydrophobicContact CB-CG2 4.25Å; F91-V122 HydrophobicContact CD2-CB 4.06Å; F91-V122 HydrophobicContact CD2-CG2 3.37Å; F91-V122 HydrophobicContact CE2-CG2 3.8Å; F91-V122 HydrophobicContact CG-CB 4.2Å; F91-V122 HydrophobicContact CG-CG2 3.84Å; F91-F125 HydrophobicContact CD1-CB 3.83Å; F91-F125 HydrophobicContact CD1-CD2 4.05Å; F91-F125 AromaticContact CD1-CG 3.9Å; F91-F125 HydrophobicContact CD1-CG 3.9Å; F91-F125 HydrophobicContact CE1-CB 3.85Å; F91-F125 HydrophobicContact CE1-CG 4.24Å
92K86.8Confident90.5Very high139 Ų13950.4 Ų50.460%0.60427%0.266SS*.THydrogen-bonded Turntrans-72.4-48.1-176.5-171.2179-179.7-1780111.9I88 N89I88-K92 PolarHBondContact O-N 3.41Å; N89-K92 PolarHBondContact O-N 2.92Å
93D80.5Confident90.6Very high113 Ų11343.8 Ų43.860%0.60424%0.237SC*.SBendtrans-80.1167.6-173.1-66.3-32.2000113.1A95 F96 R121D93-A95 VanDerWaalsContact C-N 3.29Å; D93-F96 WeakPolarHBondContact O-CD1 3.37Å; D93-F96 WeakPolarHBondContact O-CE1 3.43Å; D93-R121 PolarHBondContact O-NH1 3.26Å
94A68Low90.7Very high85 Ų8543.7 Ų43.770%0.70224%0.236SC*.SBendtrans-68.7-28.9177.300000112.9
95A72.8Confident90.8Very high86 Ų8643.6 Ų43.671%0.71124%0.235SC*.SBendtrans-93.994.6168.800000108.3D93D93-A95 VanDerWaalsContact C-N 3.29Å
96F78.3Confident90.7Very high39 Ų3936.9 Ų36.917%0.17121%0.21CC..  trans-67.5147.1179-49.7-76.1000111.3F91 D93 Y98 R121 F125F91-F96 HydrophobicContact CB-CD1 4.23Å; F91-F96 HydrophobicContact CD1-CB 4.28Å; F91-F96 HydrophobicContact CD1-CD1 4.04Å; F91-F96 HydrophobicContact CD1-CG 4.45Å; D93-F96 WeakPolarHBondContact O-CD1 3.37Å; D93-F96 WeakPolarHBondContact O-CE1 3.43Å; F96-Y98 VanDerWaalsContact C-N 3.3Å; F96-Y98 WeakPolarHBondContact CB-O 3.24Å; F96-Y98 PolarHBondContact O-N 3.15Å; F96-R121 HydrophobicContact CE1-CG 4.25Å; F96-R121 VanDerWaalsContact CE1-CZ 3.41Å; F96-F125 HydrophobicContact CD1-CE2 4.12Å; F96-F125 HydrophobicContact CD1-CZ 4.23Å; F96-F125 HydrophobicContact CD2-CE1 4.19Å; F96-F125 HydrophobicContact CD2-CZ 4.12Å; F96-F125 HydrophobicContact CE1-CD2 4.11Å; F96-F125 HydrophobicContact CE1-CE1 4.36Å; F96-F125 AromaticContact CE1-CE2 3.35Å; F96-F125 HydrophobicContact CE1-CE2 3.35Å; F96-F125 AromaticContact CE1-CZ 3.53Å; F96-F125 HydrophobicContact CE1-CZ 3.53Å; F96-F125 AromaticContact CE2-CE1 3.83Å; F96-F125 HydrophobicContact CE2-CE1 3.83Å; F96-F125 HydrophobicContact CE2-CE2 4.15Å; F96-F125 AromaticContact CE2-CZ 3.41Å; F96-F125 HydrophobicContact CE2-CZ 3.41Å; F96-F125 VanDerWaalsContact CE2-CZ 3.41Å; F96-F125 HydrophobicContact CG-CZ 4.48Å; F96-F125 HydrophobicContact CZ-CD2 4.44Å; F96-F125 AromaticContact CZ-CE1 3.89Å; F96-F125 HydrophobicContact CZ-CE1 3.89Å; F96-F125 AromaticContact CZ-CE2 3.36Å; F96-F125 HydrophobicContact CZ-CE2 3.36Å; F96-F125 AromaticContact CZ-CZ 3.03Å; F96-F125 HydrophobicContact CZ-CZ 3.03Å
97T86.1Confident90.6Very high21 Ų2137.4 Ų37.413%0.12921%0.211CC..SBendtrans-65.2-35.9176-49.30000111.6P67 I68 A69 D90P67-T97 CarbonylContact C-O 3.37Å; P67-T97 HydrophobicContact CB-CG2 4.44Å; I68-T97 CarbonylContact C-O 3.41Å; I68-T97 PolarHBondContact N-O 3.24Å; A69-T97 PolarHBondContact N-O 2.9Å; D90-T97 PolarHBondContact O-N 3.4Å; D90-T97 VanDerWaalsContact O-N 3.08Å; D90-T97 PolarHBondContact O-OG1 3.34Å; D90-T97 VanDerWaalsContact O-OG1 3.14Å
98Y94.6Very high90.3Very high1 Ų140.7 Ų40.70%0.00423%0.231CC..BIsolated β-bridgetrans-137.4159.1-179-50.7-74.2000111.4V30 I32 E59 R65 A73 Y75 F91 F96V30-Y98 HydrophobicContact CB-CD1 4.44Å; V30-Y98 HydrophobicContact CB-CE1 4.07Å; V30-Y98 HydrophobicContact CG1-CE1 3.98Å; V30-Y98 HydrophobicContact CG2-CD1 4.32Å; V30-Y98 HydrophobicContact CG2-CE1 4.07Å; I32-Y98 HydrophobicContact CD1-CE2 4.2Å; I32-Y98 WeakPolarHBondContact CD1-OH 3.08Å; I32-Y98 HydrophobicContact CG1-CE2 4.23Å; E59-Y98 PolarHBondContact OE2-OH 2.98Å; R65-Y98 PolarHBondContact NH1-OH 2.79Å; A73-Y98 HydrophobicContact CB-CD1 3.93Å; A73-Y98 HydrophobicContact CB-CD2 3.59Å; A73-Y98 HydrophobicContact CB-CE1 4.42Å; A73-Y98 HydrophobicContact CB-CE2 4.11Å; A73-Y98 HydrophobicContact CB-CG 3.49Å; A73-Y98 VanDerWaalsContact CB-CG 3.49Å; Y75-Y98 WeakPolarHBondContact OH-CD2 3.43Å; Y75-Y98 WeakPolarHBondContact OH-CE2 3.45Å; F91-Y98 WeakPolarHBondContact CE1-O 3.23Å; F96-Y98 VanDerWaalsContact C-N 3.3Å; F96-Y98 WeakPolarHBondContact CB-O 3.24Å; F96-Y98 PolarHBondContact O-N 3.15Å
99K93.6Very high90.2Very high112 Ų11239.3 Ų39.349%0.48722%0.224SC..SBendtrans-64.8-38.7-178.6-174.2-177.2175.3-168.20113.3A69 L71 E72A69-K99 WeakPolarHBondContact O-CB 3.47Å; L71-K99 VanDerWaalsContact O-CB 3.26Å; L71-K99 WeakPolarHBondContact O-CB 3.2Å; L71-K99 PolarHBondContact O-N 2.77Å; E72-K99 HydrophobicContact CG-CB 4.14Å; E72-K99 HydrophobicContact CG-CD 4.12Å; E72-K99 HydrophobicContact CG-CG 4.43Å; E72-K99 IonicContact OE1-NZ 3.79Å
100A95Very high90.1Very high4 Ų437.6 Ų37.63%0.03322%0.218CC..  trans-159.8163.4-17900000110.5E72 A73 K127E72-A100 HydrophobicContact CB-CB 4.45Å; E72-A100 HydrophobicContact CG-CB 4.01Å; A73-A100 PolarHBondContact N-O 3.15Å; A100-K127 HydrophobicContact CB-CD 3.89Å; A100-K127 HydrophobicContact CB-CG 4.08Å
101A97.1Very high90.1Very high0 Ų043.4 Ų43.40%025%0.249CC..EExtended strand (participates in β ladder)trans-117.5131.9179.100000112.1A73 Y75 F91 I103 V122 F125 A126 K127A73-A101 CarbonylContact O-C 3.59Å; Y75-A101 HydrophobicContact CD2-CB 3.97Å; Y75-A101 HydrophobicContact CE2-CB 3.83Å; F91-A101 HydrophobicContact CE2-CB 3.97Å; F91-A101 HydrophobicContact CZ-CB 3.76Å; A101-I103 HydrophobicContact CB-CD1 4.47Å; A101-I103 HydrophobicContact CB-CG1 4.14Å; A101-V122 HydrophobicContact CB-CG2 4.42Å; A101-F125 PolarHBondContact N-O 3.44Å; A101-A126 CarbonylContact O-C 3.12Å; A101-A126 WeakPolarHBondContact O-CA 3.45Å; A101-K127 PolarHBondContact O-N 2.89Å
102H97.9Very high90.2Very high9 Ų948.3 Ų48.34%0.04228%0.275CS..EExtended strand (participates in β ladder)trans-108.9106.1163-63-86.1000108.2V22 E72 A73 I74 Y75 F104 T128V22-H102 HydrophobicContact CG1-CB 4.09Å; E72-H102 IonicContact OE2-NE2 3.93Å; E72-H102 PolarHBondContact OE2-NE2 3.08Å; A73-H102 PolarHBondContact O-N 3.27Å; I74-H102 CarbonylContact C-O 3.55Å; I74-H102 WeakPolarHBondContact CA-O 3.29Å; Y75-H102 PolarHBondContact N-O 3.11Å; H102-F104 HydrophobicContact CB-CD2 4.48Å; H102-F104 HydrophobicContact CB-CE2 3.88Å; H102-T128 PolarHBondContact ND1-OG1 3.41Å
103I97.9Very high90.6Very high0 Ų042.3 Ų42.30%025%0.25CC..EExtended strand (participates in β ladder)trans-97.6124.3-171.5-54.8161.6000109.2L87 A101 F105 A126 T128 L129 K130L87-I103 HydrophobicContact CD1-CG1 4.4Å; L87-I103 HydrophobicContact CD2-CD1 3.85Å; L87-I103 HydrophobicContact CD2-CG1 4.08Å; L87-I103 HydrophobicContact CD2-CG2 4.24Å; A101-I103 HydrophobicContact CB-CD1 4.47Å; A101-I103 HydrophobicContact CB-CG1 4.14Å; I103-F105 HydrophobicContact CG2-CD2 4.28Å; I103-F105 HydrophobicContact CG2-CE1 4.21Å; I103-F105 HydrophobicContact CG2-CE2 3.81Å; I103-F105 HydrophobicContact CG2-CZ 3.76Å; I103-A126 HydrophobicContact CD1-CB 3.95Å; I103-T128 PolarHBondContact N-O 2.9Å; I103-L129 HydrophobicContact CB-CG 4.38Å; I103-L129 HydrophobicContact CG2-CG 4.46Å; I103-L129 CarbonylContact O-C 3.52Å; I103-L129 VanDerWaalsContact O-CA 3.23Å; I103-L129 WeakPolarHBondContact O-CA 3.35Å; I103-K130 PolarHBondContact O-N 3.21Å
104F98Very high91.3Very high0 Ų041.9 Ų41.90%024%0.243CC..EExtended strand (participates in β ladder)trans-127.2112.5176.1-65.8-90.3000108.6V18 V22 I74 Y75 L76 I77 H102 T128 K130 I132V18-F104 HydrophobicContact CB-CD1 4.44Å; V18-F104 HydrophobicContact CG1-CB 4.38Å; V18-F104 HydrophobicContact CG1-CD1 4.23Å; V18-F104 HydrophobicContact CG1-CD2 3.68Å; V18-F104 HydrophobicContact CG1-CE1 4.41Å; V18-F104 HydrophobicContact CG1-CE2 3.88Å; V18-F104 HydrophobicContact CG1-CG 3.85Å; V18-F104 HydrophobicContact CG1-CZ 4.25Å; V18-F104 HydrophobicContact CG2-CB 4.45Å; V18-F104 HydrophobicContact CG2-CD1 3.96Å; V18-F104 HydrophobicContact CG2-CE1 4.37Å; V18-F104 HydrophobicContact CG2-CG 4.18Å; V22-F104 HydrophobicContact CG1-CE2 3.89Å; V22-F104 HydrophobicContact CG1-CZ 3.75Å; I74-F104 HydrophobicContact CG2-CD2 3.92Å; I74-F104 HydrophobicContact CG2-CE2 4.02Å; Y75-F104 WeakPolarHBondContact O-CA 3.21Å; Y75-F104 PolarHBondContact O-N 2.87Å; L76-F104 WeakPolarHBondContact CA-O 3.47Å; L76-F104 HydrophobicContact CD1-CB 4.07Å; I77-F104 PolarHBondContact N-O 2.95Å; H102-F104 HydrophobicContact CB-CD2 4.48Å; H102-F104 HydrophobicContact CB-CE2 3.88Å; F104-T128 HydrophobicContact CE1-CG2 4.4Å; F104-T128 HydrophobicContact CZ-CG2 4.05Å; F104-K130 CarbonylContact C-O 3.5Å; F104-K130 VanDerWaalsContact CA-O 3.26Å; F104-K130 WeakPolarHBondContact CA-O 3.5Å; F104-K130 HydrophobicContact CD1-CB 3.99Å; F104-K130 HydrophobicContact CE1-CB 4.17Å; F104-K130 HydrophobicContact CE1-CD 4.09Å; F104-I132 HydrophobicContact CB-CG2 4.26Å; F104-I132 HydrophobicContact CD1-CG2 3.94Å
105F97.5Very high92.7Very high0 Ų039.7 Ų39.70%023%0.225CC..EExtended strand (participates in β ladder)trans-88.6141.9174-69.4-59.3000111.4I77 P79 V84 I103 D107 C109 I117 L129 K130 E131 I132I77-F105 HydrophobicContact CD1-CE1 3.95Å; I77-F105 HydrophobicContact CG1-CD1 4.02Å; I77-F105 HydrophobicContact CG1-CE1 3.91Å; I77-F105 VanDerWaalsContact O-CA 3.31Å; I77-F105 WeakPolarHBondContact O-CA 3.15Å; P79-F105 HydrophobicContact CB-CB 4.4Å; P79-F105 HydrophobicContact CB-CD1 3.7Å; P79-F105 HydrophobicContact CB-CE1 4.13Å; P79-F105 HydrophobicContact CB-CG 4.05Å; V84-F105 HydrophobicContact CG2-CE1 4.02Å; V84-F105 HydrophobicContact CG2-CZ 4.19Å; I103-F105 HydrophobicContact CG2-CD2 4.28Å; I103-F105 HydrophobicContact CG2-CE1 4.21Å; I103-F105 HydrophobicContact CG2-CE2 3.81Å; I103-F105 HydrophobicContact CG2-CZ 3.76Å; F105-D107 VanDerWaalsContact C-N 3.26Å; F105-D107 WeakPolarHBondContact CB-O 3.22Å; F105-D107 PolarHBondContact O-N 3.32Å; F105-C109 HydrophobicContact CD2-CB 3.77Å; F105-C109 HydrophobicContact CE2-CB 3.98Å; F105-C109 HydrophobicContact CG-CB 4.35Å; F105-I117 HydrophobicContact CE2-CD1 4.07Å; F105-I117 HydrophobicContact CZ-CD1 3.63Å; F105-L129 HydrophobicContact CE2-CD2 4.49Å; F105-K130 PolarHBondContact N-O 2.97Å; F105-E131 HydrophobicContact CB-CG 4.25Å; F105-E131 WeakPolarHBondContact O-CA 3.46Å; F105-I132 VanDerWaalsContact O-CG1 3.29Å; F105-I132 WeakPolarHBondContact O-CG1 3.36Å; F105-I132 PolarHBondContact O-N 3.38Å
106T94.4Very high93.7Very high1 Ų139.1 Ų39.11%0.00621%0.21CC..SBendtrans-61.8-33.2176.344.10000113.5T37 I77 T78 P79 N133 V134T37-T106 HydrophobicContact CG2-CG2 3.23Å; I77-T106 PolarHBondContact O-N 3.1Å; I77-T106 VanDerWaalsContact O-N 3.13Å; T78-T106 WeakPolarHBondContact CA-OG1 3.5Å; T78-T106 HydrophobicContact CG2-CG2 4.07Å; P79-T106 WeakPolarHBondContact CD-OG1 3.44Å; T106-N133 CarbonylContact O-C 3.58Å; T106-N133 WeakPolarHBondContact O-CA 3.21Å; T106-N133 PolarHBondContact O-N 3.24Å; T106-N133 VanDerWaalsContact O-N 3.11Å; T106-V134 WeakPolarHBondContact CB-O 3.36Å; T106-V134 CarbonylContact O-C 3.51Å; T106-V134 PolarHBondContact O-N 3.5Å
107D91.9Very high94.5Very high30 Ų3037.5 Ų37.516%0.1620%0.203CC..SBendtrans-151.9-179.2-172.953.6-33.7000109.1P79 F105 C109 A135 E173 T177P79-D107 WeakPolarHBondContact CD-OD1 3.19Å; P79-D107 WeakPolarHBondContact CG-OD1 3.46Å; F105-D107 VanDerWaalsContact C-N 3.26Å; F105-D107 WeakPolarHBondContact CB-O 3.22Å; F105-D107 PolarHBondContact O-N 3.32Å; D107-C109 PolarHBondContact O-N 2.87Å; D107-A135 HydrophobicContact CB-CB 4Å; D107-E173 HydrophobicContact CB-CG 4.17Å; D107-T177 HydrophobicContact CB-CG2 4.17Å
108T90.5Very high94.9Very high68 Ų6839.1 Ų39.142%0.41722%0.223SC..PPolyproline II helixtrans-55.6123.3-176.7-49.40000111.3P110 E173T108-P110 WeakPolarHBondContact O-CD 3.21Å; T108-E173 PolarHBondContact OG1-OE1 2.87Å; T108-E173 VanDerWaalsContact OG1-OE1 3.09Å
109C92.6Very high95Very high7 Ų747.2 Ų47.25%0.04726%0.259CS..PPolyproline II helixtrans-78.8124.2180-169.10000111P79 F105 D107 D111 E131P79-C109 HydrophobicContact CB-CB 4.04Å; F105-C109 HydrophobicContact CD2-CB 3.77Å; F105-C109 HydrophobicContact CE2-CB 3.98Å; F105-C109 HydrophobicContact CG-CB 4.35Å; D107-C109 PolarHBondContact O-N 2.87Å; C109-D111 PolarHBondContact O-N 2.93Å; C109-E131 PolarHBondContact N-OE1 3.4Å
110P92.5Very high95Very high56 Ų5643 Ų4336%0.36424%0.244SC..PPolyproline II helixtrans-57136.9176.2-27.436.2000112.9T108 N112 L113 F114T108-P110 WeakPolarHBondContact O-CD 3.21Å; P110-N112 WeakPolarHBondContact CB-OD1 3.3Å; P110-N112 PolarHBondContact O-N 2.91Å; P110-N112 VanDerWaalsContact O-N 3.07Å; P110-L113 HydrophobicContact CB-CD1 4.49Å; P110-L113 HydrophobicContact CB-CG 4.48Å; P110-L113 HydrophobicContact CG-CD1 4.25Å; P110-L113 PolarHBondContact O-N 3.43Å; P110-F114 PolarHBondContact O-N 3.05Å
111D93.3Very high94.9Very high141 Ų14148 Ų4875%0.75426%0.261SS*.Hα-helixtrans-52.8-36-175.3-74.3-21.6000113.9C109 A115C109-D111 PolarHBondContact O-N 2.93Å; D111-A115 VanDerWaalsContact O-CB 3.28Å; D111-A115 WeakPolarHBondContact O-CB 3.2Å; D111-A115 PolarHBondContact O-N 3.43Å
112N95.1Very high94.7Very high102 Ų10248 Ų4855%0.54526%0.261SS..Hα-helixtrans-65.4-44.2177.762.8-47.2000111.9P110 A115 D116P110-N112 WeakPolarHBondContact CB-OD1 3.3Å; P110-N112 PolarHBondContact O-N 2.91Å; P110-N112 VanDerWaalsContact O-N 3.07Å; N112-A115 PolarHBondContact O-N 3.46Å; N112-D116 PolarHBondContact O-N 2.8Å; N112-D116 VanDerWaalsContact O-N 3.09Å
113L95.5Very high94.5Very high13 Ų1349.7 Ų49.77%0.06828%0.277CS..Hα-helixtrans-70.6-37.7177.7-64.9-179000111.2P79 E81 V84 P110 D116 I117P79-L113 WeakPolarHBondContact O-CD1 3.39Å; E81-L113 HydrophobicContact CB-CD2 4.3Å; E81-L113 HydrophobicContact CG-CD2 4.5Å; V84-L113 HydrophobicContact CG1-CB 4.39Å; V84-L113 HydrophobicContact CG1-CD2 4.49Å; V84-L113 HydrophobicContact CG2-CB 4.36Å; V84-L113 HydrophobicContact CG2-CD1 4.24Å; P110-L113 HydrophobicContact CB-CD1 4.49Å; P110-L113 HydrophobicContact CB-CG 4.48Å; P110-L113 HydrophobicContact CG-CD1 4.25Å; P110-L113 PolarHBondContact O-N 3.43Å; L113-D116 PolarHBondContact O-N 3.13Å; L113-I117 WeakPolarHBondContact O-CG1 3.48Å; L113-I117 PolarHBondContact O-N 3.32Å
114F95.6Very high94.3Very high104 Ų10458.2 Ų58.246%0.45631%0.314SS..Hα-helixtrans-61.8-43.9173.8-173.6-99.4000111.9P110 D116 I117 G118 L129P110-F114 PolarHBondContact O-N 3.05Å; F114-D116 VanDerWaalsContact C-N 3.32Å; F114-D116 PolarHBondContact O-N 3.42Å; F114-I117 WeakPolarHBondContact O-CB 3.12Å; F114-I117 PolarHBondContact O-N 3.26Å; F114-G118 PolarHBondContact O-N 3.25Å; F114-L129 HydrophobicContact CD2-CD1 4.32Å; F114-L129 HydrophobicContact CE2-CD1 3.77Å; F114-L129 HydrophobicContact CE2-CD2 3.91Å
115A96.2Very high94.1Very high40 Ų4060.7 Ų60.733%0.33133%0.325SS..Hα-helixtrans-63.3-36.7175.900000112.6D111 N112 G118 K119D111-A115 VanDerWaalsContact O-CB 3.28Å; D111-A115 WeakPolarHBondContact O-CB 3.2Å; D111-A115 PolarHBondContact O-N 3.43Å; N112-A115 PolarHBondContact O-N 3.46Å; A115-G118 PolarHBondContact O-N 2.88Å; A115-K119 WeakPolarHBondContact O-CG 3.45Å; A115-K119 PolarHBondContact O-N 3.39Å
116D95.2Very high94Very high74 Ų7462.3 Ų62.340%0.39634%0.338SS..Hα-helixtrans-65.2-41.4175.8-75.7-12.5000111.9I88 N112 L113 F114 G118 K119 S120I88-D116 HydrophobicContact CD1-CB 4.33Å; N112-D116 PolarHBondContact O-N 2.8Å; N112-D116 VanDerWaalsContact O-N 3.09Å; L113-D116 PolarHBondContact O-N 3.13Å; F114-D116 VanDerWaalsContact C-N 3.32Å; F114-D116 PolarHBondContact O-N 3.42Å; D116-G118 VanDerWaalsContact C-N 3.35Å; D116-G118 PolarHBondContact O-N 3.31Å; D116-K119 PolarHBondContact O-N 3Å; D116-S120 WeakPolarHBondContact O-CB 3.4Å; D116-S120 PolarHBondContact O-N 3.38Å; D116-S120 VanDerWaalsContact O-N 3.16Å; D116-S120 PolarHBondContact O-OG 2.92Å
117I95Very high94.1Very high5 Ų567.2 Ų67.23%0.02636%0.359CS..Hα-helixtrans-58.6-49172.4-68.4166.8000109.9V84 F105 L113 F114 K119 S120 V122 L129V84-I117 HydrophobicContact CG1-CD1 3.88Å; V84-I117 HydrophobicContact CG1-CG1 3.71Å; V84-I117 HydrophobicContact CG2-CD1 4.45Å; F105-I117 HydrophobicContact CE2-CD1 4.07Å; F105-I117 HydrophobicContact CZ-CD1 3.63Å; L113-I117 WeakPolarHBondContact O-CG1 3.48Å; L113-I117 PolarHBondContact O-N 3.32Å; F114-I117 WeakPolarHBondContact O-CB 3.12Å; F114-I117 PolarHBondContact O-N 3.26Å; I117-K119 VanDerWaalsContact C-N 3.32Å; I117-K119 PolarHBondContact O-N 3.3Å; I117-S120 PolarHBondContact O-N 3.42Å; I117-S120 VanDerWaalsContact O-N 3.09Å; I117-S120 PolarHBondContact O-OG 3.05Å; I117-V122 HydrophobicContact CG2-CG1 3.84Å; I117-L129 HydrophobicContact CG2-CD1 4.48Å
118G94.8Very high94.3Very high54 Ų5467.2 Ų67.256%0.55736%0.361SS*.Hα-helixtrans-62.1-32.6-178.800000114.6F114 A115 D116F114-G118 PolarHBondContact O-N 3.25Å; A115-G118 PolarHBondContact O-N 2.88Å; D116-G118 VanDerWaalsContact C-N 3.35Å; D116-G118 PolarHBondContact O-N 3.31Å
119K94.9Very high94.6Very high172 Ų17267 Ų6775%0.74836%0.357SS*.Hα-helixtrans-80.2-18.5176.1-69.8169.4-171.7167.30113.3A115 D116 I117A115-K119 WeakPolarHBondContact O-CG 3.45Å; A115-K119 PolarHBondContact O-N 3.39Å; D116-K119 PolarHBondContact O-N 3Å; I117-K119 VanDerWaalsContact C-N 3.32Å; I117-K119 PolarHBondContact O-N 3.3Å
120S94.1Very high94.7Very high24 Ų2472 Ų7217%0.16838%0.378CS..SBendtrans-90.1167.2-17476.90000112.9D116 I117 V122 A123D116-S120 WeakPolarHBondContact O-CB 3.4Å; D116-S120 PolarHBondContact O-N 3.38Å; D116-S120 VanDerWaalsContact O-N 3.16Å; D116-S120 PolarHBondContact O-OG 2.92Å; I117-S120 PolarHBondContact O-N 3.42Å; I117-S120 VanDerWaalsContact O-N 3.09Å; I117-S120 PolarHBondContact O-OG 3.05Å; S120-V122 PolarHBondContact O-N 3.47Å; S120-V122 WeakPolarHBondContact OG-CG1 3.3Å; S120-A123 PolarHBondContact O-N 3.28Å
121R92.5Very high94.8Very high107 Ų10773.3 Ų73.340%0.40438%0.379SS..G310 helixtrans-66-25.4-177.7-170.6169.2-172.6-165.63.6112.8F91 D93 F96 A123 K124 F125F91-R121 WeakPolarHBondContact O-CD 3.36Å; D93-R121 PolarHBondContact O-NH1 3.26Å; F96-R121 HydrophobicContact CE1-CG 4.25Å; F96-R121 VanDerWaalsContact CE1-CZ 3.41Å; R121-A123 PolarHBondContact O-N 2.96Å; R121-K124 PolarHBondContact O-N 3.09Å; R121-K124 VanDerWaalsContact O-N 3.11Å; R121-F125 HydrophobicContact CG-CD2 4.43Å; R121-F125 HydrophobicContact CG-CE2 3.92Å; R121-F125 WeakPolarHBondContact O-CD2 3.37Å
122V93.3Very high94.7Very high0 Ų067.5 Ų67.50%035%0.348CS..G310 helixtrans-58.7-29.6179.576.70000112.4L87 I88 F91 A101 I117 S120 K124 F125 A126L87-V122 HydrophobicContact CD1-CG2 4.03Å; L87-V122 HydrophobicContact CG-CG2 4.28Å; I88-V122 HydrophobicContact CG1-CG1 4.47Å; F91-V122 HydrophobicContact CB-CB 4.04Å; F91-V122 HydrophobicContact CB-CG2 4.25Å; F91-V122 HydrophobicContact CD2-CB 4.06Å; F91-V122 HydrophobicContact CD2-CG2 3.37Å; F91-V122 HydrophobicContact CE2-CG2 3.8Å; F91-V122 HydrophobicContact CG-CB 4.2Å; F91-V122 HydrophobicContact CG-CG2 3.84Å; A101-V122 HydrophobicContact CB-CG2 4.42Å; I117-V122 HydrophobicContact CG2-CG1 3.84Å; S120-V122 PolarHBondContact O-N 3.47Å; S120-V122 WeakPolarHBondContact OG-CG1 3.3Å; V122-K124 PolarHBondContact O-N 3.38Å; V122-K124 VanDerWaalsContact O-N 3.11Å; V122-F125 CarbonylContact O-C 3.52Å; V122-F125 WeakPolarHBondContact O-CA 3.37Å; V122-F125 PolarHBondContact O-N 3.26Å; V122-A126 PolarHBondContact O-N 3.4Å
123A94.5Very high94.6Very high45 Ų4564.1 Ų64.137%0.37233%0.329SS..G310 helixtrans-58.1-28.5178.400000112.9S120 R121 F125S120-A123 PolarHBondContact O-N 3.28Å; R121-A123 PolarHBondContact O-N 2.96Å; A123-F125 VanDerWaalsContact C-N 3.32Å
124K93.1Very high94.5Very high180 Ų18063.5 Ų63.578%0.78333%0.326SS*.G310 helixtrans-76.7-19.6176-62.2-178.3179.7179.70113.4R121 V122R121-K124 PolarHBondContact O-N 3.09Å; R121-K124 VanDerWaalsContact O-N 3.11Å; V122-K124 PolarHBondContact O-N 3.38Å; V122-K124 VanDerWaalsContact O-N 3.11Å
125F93.8Very high94.5Very high52 Ų5258.6 Ų58.623%0.22831%0.305CS..THydrogen-bonded Turntrans-107.8-12.7-177-64.2-81.6000112.7F91 F96 A101 R121 V122 A123 K127F91-F125 HydrophobicContact CD1-CB 3.83Å; F91-F125 HydrophobicContact CD1-CD2 4.05Å; F91-F125 AromaticContact CD1-CG 3.9Å; F91-F125 HydrophobicContact CD1-CG 3.9Å; F91-F125 HydrophobicContact CE1-CB 3.85Å; F91-F125 HydrophobicContact CE1-CG 4.24Å; F96-F125 HydrophobicContact CD1-CE2 4.12Å; F96-F125 HydrophobicContact CD1-CZ 4.23Å; F96-F125 HydrophobicContact CD2-CE1 4.19Å; F96-F125 HydrophobicContact CD2-CZ 4.12Å; F96-F125 HydrophobicContact CE1-CD2 4.11Å; F96-F125 HydrophobicContact CE1-CE1 4.36Å; F96-F125 AromaticContact CE1-CE2 3.35Å; F96-F125 HydrophobicContact CE1-CE2 3.35Å; F96-F125 AromaticContact CE1-CZ 3.53Å; F96-F125 HydrophobicContact CE1-CZ 3.53Å; F96-F125 AromaticContact CE2-CE1 3.83Å; F96-F125 HydrophobicContact CE2-CE1 3.83Å; F96-F125 HydrophobicContact CE2-CE2 4.15Å; F96-F125 AromaticContact CE2-CZ 3.41Å; F96-F125 HydrophobicContact CE2-CZ 3.41Å; F96-F125 VanDerWaalsContact CE2-CZ 3.41Å; F96-F125 HydrophobicContact CG-CZ 4.48Å; F96-F125 HydrophobicContact CZ-CD2 4.44Å; F96-F125 AromaticContact CZ-CE1 3.89Å; F96-F125 HydrophobicContact CZ-CE1 3.89Å; F96-F125 AromaticContact CZ-CE2 3.36Å; F96-F125 HydrophobicContact CZ-CE2 3.36Å; F96-F125 AromaticContact CZ-CZ 3.03Å; F96-F125 HydrophobicContact CZ-CZ 3.03Å; A101-F125 PolarHBondContact N-O 3.44Å; R121-F125 HydrophobicContact CG-CD2 4.43Å; R121-F125 HydrophobicContact CG-CE2 3.92Å; R121-F125 WeakPolarHBondContact O-CD2 3.37Å; V122-F125 CarbonylContact O-C 3.52Å; V122-F125 WeakPolarHBondContact O-CA 3.37Å; V122-F125 PolarHBondContact O-N 3.26Å; A123-F125 VanDerWaalsContact C-N 3.32Å; F125-K127 PolarHBondContact O-N 3.4Å
126A95.5Very high94.5Very high33 Ų3356.7 Ų56.727%0.27329%0.289SS..EExtended strand (participates in β ladder)trans-69.8112.517600000110.4A101 I103 V122A101-A126 CarbonylContact O-C 3.12Å; A101-A126 WeakPolarHBondContact O-CA 3.45Å; I103-A126 HydrophobicContact CD1-CB 3.95Å; V122-A126 PolarHBondContact O-N 3.4Å
127K96.6Very high94.6Very high104 Ų10453.3 Ų53.345%0.45227%0.271SS..EExtended strand (participates in β ladder)trans-90.5-24.8174.1-71.9-174.1-179.9-177.40113E72 A100 A101 F125E72-K127 IonicContact OE1-NZ 2.85Å; E72-K127 PolarHBondContact OE1-NZ 2.91Å; E72-K127 IonicContact OE2-NZ 2.76Å; E72-K127 PolarHBondContact OE2-NZ 3.21Å; A100-K127 HydrophobicContact CB-CD 3.89Å; A100-K127 HydrophobicContact CB-CG 4.08Å; A101-K127 PolarHBondContact O-N 2.89Å; F125-K127 PolarHBondContact O-N 3.4Å
128T96.6Very high94.6Very high31 Ų3153 Ų5319%0.1927%0.27CS..EExtended strand (participates in β ladder)trans-146.1138.3-178.4-52.30000107.6H102 I103 F104 K130H102-T128 PolarHBondContact ND1-OG1 3.41Å; I103-T128 PolarHBondContact N-O 2.9Å; F104-T128 HydrophobicContact CE1-CG2 4.4Å; F104-T128 HydrophobicContact CZ-CG2 4.05Å; T128-K130 HydrophobicContact CG2-CD 4.07Å; T128-K130 HydrophobicContact CG2-CG 3.94Å
129L96.4Very high94.7Very high64 Ų6451.9 Ų51.934%0.33525%0.249SC..EExtended strand (participates in β ladder)trans-139.6114.2168.7-169160.4000106.1I103 F105 F114 I117I103-L129 HydrophobicContact CB-CG 4.38Å; I103-L129 HydrophobicContact CG2-CG 4.46Å; I103-L129 CarbonylContact O-C 3.52Å; I103-L129 VanDerWaalsContact O-CA 3.23Å; I103-L129 WeakPolarHBondContact O-CA 3.35Å; F105-L129 HydrophobicContact CE2-CD2 4.49Å; F114-L129 HydrophobicContact CD2-CD1 4.32Å; F114-L129 HydrophobicContact CE2-CD1 3.77Å; F114-L129 HydrophobicContact CE2-CD2 3.91Å; I117-L129 HydrophobicContact CG2-CD1 4.48Å
130K95.2Very high94.8Very high111 Ų11144 Ų4448%0.48321%0.214SC..EExtended strand (participates in β ladder)trans-141.3156-178.8-69.7-175.4179.3-178.70110.6I103 F104 F105 T128I103-K130 PolarHBondContact O-N 3.21Å; F104-K130 CarbonylContact C-O 3.5Å; F104-K130 VanDerWaalsContact CA-O 3.26Å; F104-K130 WeakPolarHBondContact CA-O 3.5Å; F104-K130 HydrophobicContact CD1-CB 3.99Å; F104-K130 HydrophobicContact CE1-CB 4.17Å; F104-K130 HydrophobicContact CE1-CD 4.09Å; F105-K130 PolarHBondContact N-O 2.97Å; T128-K130 HydrophobicContact CG2-CD 4.07Å; T128-K130 HydrophobicContact CG2-CG 3.94Å
131E93.5Very high94.8Very high84 Ų8444 Ų4439%0.39322%0.215SC..EExtended strand (participates in β ladder)trans-105.5133.6170-65.1165.7165.800107.6F105 C109F105-E131 HydrophobicContact CB-CG 4.25Å; F105-E131 WeakPolarHBondContact O-CA 3.46Å; C109-E131 PolarHBondContact N-OE1 3.4Å
132I92.6Very high95Very high19 Ų1940 Ų4010%0.09720%0.201CC..  trans-97.8-15.9-178.864.1159.5000112.8K13 I14 V18 L76 F104 F105 V134K13-I132 WeakPolarHBondContact CE-O 3.37Å; K13-I132 PolarHBondContact NZ-O 3.1Å; I14-I132 HydrophobicContact CG1-CD1 4.43Å; V18-I132 HydrophobicContact CG2-CG2 3.66Å; L76-I132 HydrophobicContact CD1-CD1 3.66Å; L76-I132 HydrophobicContact CD1-CG1 4.44Å; F104-I132 HydrophobicContact CB-CG2 4.26Å; F104-I132 HydrophobicContact CD1-CG2 3.94Å; F105-I132 VanDerWaalsContact O-CG1 3.29Å; F105-I132 WeakPolarHBondContact O-CG1 3.36Å; F105-I132 PolarHBondContact O-N 3.38Å; I132-V134 HydrophobicContact CD1-CB 3.84Å; I132-V134 HydrophobicContact CD1-CG2 4.05Å; I132-V134 HydrophobicContact CG1-CB 4.25Å; I132-V134 HydrophobicContact CG1-CG2 4.36Å; I132-V134 PolarHBondContact O-N 2.8Å
133N92.2Very high95.3Very high30 Ų3040 Ų4016%0.1620%0.201CC..  trans51.255.9-176.1-57.3-21.5000112.1K13 T106 T177 D180 T181K13-N133 PolarHBondContact NZ-O 3.45Å; K13-N133 VanDerWaalsContact NZ-O 3.12Å; T106-N133 CarbonylContact O-C 3.58Å; T106-N133 WeakPolarHBondContact O-CA 3.21Å; T106-N133 PolarHBondContact O-N 3.24Å; T106-N133 VanDerWaalsContact O-N 3.11Å; N133-T177 HydrophobicContact CB-CG2 4.19Å; N133-T177 WeakPolarHBondContact O-CB 3.33Å; N133-D180 WeakPolarHBondContact CB-OD2 3.44Å; N133-D180 PolarHBondContact ND2-OD2 2.68Å; N133-T181 PolarHBondContact O-OG1 3.13Å
134V94.2Very high95.4Very high1 Ų137.9 Ų37.91%0.00618%0.183CC..  trans-135.691.8169.6-176.70000107.8V10 K13 I40 T106 I132 F136V10-V134 HydrophobicContact CG1-CG1 3.71Å; V10-V134 HydrophobicContact CG2-CG1 4.41Å; K13-V134 HydrophobicContact CD-CG2 3.72Å; K13-V134 HydrophobicContact CG-CG2 4.32Å; I40-V134 HydrophobicContact CG2-CG1 4.13Å; T106-V134 WeakPolarHBondContact CB-O 3.36Å; T106-V134 CarbonylContact O-C 3.51Å; T106-V134 PolarHBondContact O-N 3.5Å; I132-V134 HydrophobicContact CD1-CB 3.84Å; I132-V134 HydrophobicContact CD1-CG2 4.05Å; I132-V134 HydrophobicContact CG1-CB 4.25Å; I132-V134 HydrophobicContact CG1-CG2 4.36Å; I132-V134 PolarHBondContact O-N 2.8Å; V134-F136 HydrophobicContact CG1-CE1 4.3Å
135A95Very high95.6Very high1 Ų129.5 Ų29.51%0.00815%0.147CC..  trans-118.935.9179.700000112.4M36 D107 Q174 T177M36-A135 VanDerWaalsContact CE-C 3.49Å; M36-A135 HydrophobicContact CE-CB 4.36Å; M36-A135 WeakPolarHBondContact CE-O 3.36Å; D107-A135 HydrophobicContact CB-CB 4Å; A135-Q174 HydrophobicContact CB-CB 4.42Å; A135-Q174 HydrophobicContact CB-CG 3.93Å; A135-Q174 WeakPolarHBondContact O-CB 3.44Å; A135-Q174 VanDerWaalsContact O-CG 3.24Å; A135-Q174 WeakPolarHBondContact O-CG 3.48Å; A135-Q174 PolarHBondContact O-NE2 3.47Å; A135-T177 HydrophobicContact CB-CG2 4.09Å; A135-T177 PolarHBondContact N-OG1 2.67Å; A135-T177 VanDerWaalsContact N-OG1 3.11Å
136F96.6Very high95.7Very high0 Ų027.2 Ų27.20%014%0.138CC..SBendtrans-141.6156.6176.568.7-84.8000110.9L6 V10 V134 P138 F144 L146 L178 T181L6-F136 HydrophobicContact CD2-CE2 4.33Å; V10-F136 HydrophobicContact CG2-CE1 4.47Å; V10-F136 HydrophobicContact CG2-CE2 3.86Å; V10-F136 HydrophobicContact CG2-CZ 3.54Å; V134-F136 HydrophobicContact CG1-CE1 4.3Å; F136-P138 HydrophobicContact CE2-CB 4.44Å; F136-P138 WeakPolarHBondContact O-CD 3.3Å; F136-F144 HydrophobicContact CD2-CB 3.88Å; F136-F144 HydrophobicContact CE2-CB 4.43Å; F136-L146 HydrophobicContact CB-CD2 3.96Å; F136-L178 HydrophobicContact CD1-CB 3.82Å; F136-L178 HydrophobicContact CD1-CD1 4.25Å; F136-L178 HydrophobicContact CD2-CD1 4.03Å; F136-L178 VanDerWaalsContact CE1-CA 3.45Å; F136-L178 HydrophobicContact CE1-CB 3.87Å; F136-L178 HydrophobicContact CE1-CD1 3.81Å; F136-L178 HydrophobicContact CE1-CG 4.48Å; F136-L178 HydrophobicContact CE2-CD1 3.54Å; F136-L178 HydrophobicContact CG-CB 4.33Å; F136-L178 HydrophobicContact CG-CD1 4.36Å; F136-L178 HydrophobicContact CZ-CB 4.38Å; F136-L178 HydrophobicContact CZ-CD1 3.42Å; F136-L178 VanDerWaalsContact CZ-CD1 3.42Å; F136-T181 HydrophobicContact CE1-CG2 4.43Å; F136-T181 HydrophobicContact CZ-CG2 4.24Å
137L96.3Very high95.6Very high2 Ų227.4 Ų27.41%0.0113%0.134CC..EExtended strand (participates in β ladder)trans-88120.2174.3-63.8169.2000110.2R39 I40 Y139 F144 S145 D147R39-L137 HydrophobicContact CB-CD2 3.51Å; I40-L137 HydrophobicContact CB-CD2 4.45Å; I40-L137 HydrophobicContact CG1-CD2 3.76Å; L137-Y139 VanDerWaalsContact C-N 3.26Å; L137-Y139 PolarHBondContact O-N 2.85Å; L137-F144 CarbonylContact O-C 3.54Å; L137-F144 VanDerWaalsContact O-CA 3.25Å; L137-F144 WeakPolarHBondContact O-CA 3.41Å; L137-S145 WeakPolarHBondContact CB-O 3.4Å; L137-S145 PolarHBondContact N-O 3.25Å; L137-S145 PolarHBondContact O-N 3.3Å; L137-D147 HydrophobicContact CD1-CB 3.48Å; L137-D147 VanDerWaalsContact CD1-CB 3.48Å; L137-D147 HydrophobicContact CG-CB 4.23Å
138P96.3Very high95.3Very high0 Ų024.3 Ų24.30%012%0.122CC..EExtended strand (participates in β ladder)trans-75.880.9166.533-34.7000109.2L6 K7 V10 C44 F136L6-P138 HydrophobicContact CB-CB 4.02Å; K7-P138 WeakPolarHBondContact CE-O 3.3Å; K7-P138 HydrophobicContact CG-CB 4.03Å; K7-P138 HydrophobicContact CG-CG 4.42Å; K7-P138 WeakPolarHBondContact CG-O 3.41Å; V10-P138 HydrophobicContact CB-CB 4.44Å; V10-P138 HydrophobicContact CB-CG 3.98Å; V10-P138 HydrophobicContact CG1-CG 4.08Å; V10-P138 HydrophobicContact CG2-CB 4.14Å; V10-P138 HydrophobicContact CG2-CG 4.08Å; C44-P138 HydrophobicContact CB-CG 4.11Å; F136-P138 HydrophobicContact CE2-CB 4.44Å; F136-P138 WeakPolarHBondContact O-CD 3.3Å
139Y96.3Very high94.9Very high29 Ų2926.2 Ų26.211%0.11414%0.135CC..EExtended strand (participates in β ladder)trans-63-46-174.2-172.6-110.6000111.6K7 L137 V143 D261 M549 I572K7-Y139 WeakPolarHBondContact CE-O 3.47Å; K7-Y139 PolarHBondContact NZ-O 3.25Å; L137-Y139 VanDerWaalsContact C-N 3.26Å; L137-Y139 PolarHBondContact O-N 2.85Å; Y139-V143 HydrophobicContact CD1-CG1 4.17Å; Y139-V143 PolarHBondContact N-O 3.34Å; Y139-D261 WeakPolarHBondContact CE2-OD2 3.2Å; Y139-D261 PolarHBondContact OH-OD1 3.3Å; Y139-M549 HydrophobicContact CD1-CE 3.92Å; Y139-M549 HydrophobicContact CE1-CE 3.75Å; Y139-I572 HydrophobicContact CD1-CD1 4.17Å; Y139-I572 HydrophobicContact CD1-CG1 4.04Å; Y139-I572 HydrophobicContact CE1-CG1 4.04Å; Y139-I572 HydrophobicContact CG-CG1 4.33Å
140E96.6Very high94.6Very high6 Ų627 Ų273%0.02814%0.143CC..EExtended strand (participates in β ladder)trans-136.6176.6170.7-56.9-173.7152.700110.4Q142 V143 Q249 E282 R291 M549 Y553E140-Q142 PolarHBondContact O-N 3.19Å; E140-V143 HydrophobicContact CB-CB 3.89Å; E140-V143 HydrophobicContact CB-CG2 4.09Å; E140-V143 HydrophobicContact CG-CB 4.2Å; E140-V143 HydrophobicContact CG-CG2 4.34Å; E140-V143 PolarHBondContact N-O 3.48Å; E140-V143 PolarHBondContact O-N 2.9Å; E140-V143 VanDerWaalsContact O-O 3.07Å; E140-V143 WeakPolarHBondContact OE2-CG2 3.23Å; E140-Q249 PolarHBondContact OE1-NE2 3.12Å; E140-E282 WeakPolarHBondContact CB-OE1 3.48Å; E140-R291 IonicContact OE1-CZ 3.35Å; E140-R291 IonicContact OE1-NE 3.29Å; E140-R291 IonicContact OE1-NH1 3.72Å; E140-R291 PolarHBondContact OE1-NH1 3.27Å; E140-R291 VanDerWaalsContact OE1-NH1 3.13Å; E140-R291 IonicContact OE2-CZ 3.91Å; E140-R291 IonicContact OE2-NE 3.52Å; E140-R291 IonicContact OE2-NH1 3.61Å; E140-R291 PolarHBondContact OE2-NH1 3.04Å; E140-R291 IonicContact OE2-NH2 3.3Å; E140-M549 HydrophobicContact CG-CE 4.35Å; E140-Y553 WeakPolarHBondContact CB-OH 3.4Å; E140-Y553 WeakPolarHBondContact OE2-CE2 3.44Å; E140-Y553 VanDerWaalsContact OE2-CZ 3.3Å; E140-Y553 PolarHBondContact OE2-OH 3.46Å
141S94.6Very high94.2Very high26 Ų2621.8 Ų21.818%0.18212%0.12CC..THydrogen-bonded Turntrans-53.2-34.3176.143.60000114.1L6 E282 Y553L6-S141 PolarHBondContact N-O 3.21Å; S141-E282 WeakPolarHBondContact CB-OE1 3.29Å; S141-E282 PolarHBondContact N-OE1 3.24Å; S141-E282 PolarHBondContact N-OE2 2.99Å; S141-E282 PolarHBondContact OG-OE1 3.08Å; S141-Y553 PolarHBondContact OG-OH 3.35Å
142Q96.5Very high94.1Very high22 Ų2217.8 Ų17.810%0.10310%0.102CC..THydrogen-bonded Turntrans-121.29177.4-59.7-173-124.900114.2E140 Y553 T556 V565 L566 I567E140-Q142 PolarHBondContact O-N 3.19Å; Q142-Y553 HydrophobicContact CB-CD1 4.3Å; Q142-Y553 HydrophobicContact CB-CE1 3.67Å; Q142-Y553 HydrophobicContact CB-CE2 4.24Å; Q142-Y553 HydrophobicContact CG-CD1 4.08Å; Q142-Y553 HydrophobicContact CG-CE1 3.58Å; Q142-Y553 PolarHBondContact N-OH 2.7Å; Q142-T556 PolarHBondContact NE2-OG1 2.9Å; Q142-V565 PolarHBondContact NE2-O 3.23Å; Q142-L566 HydrophobicContact CB-CD2 4.1Å; Q142-L566 HydrophobicContact CG-CD2 4.34Å; Q142-L566 WeakPolarHBondContact O-CA 3.36Å; Q142-I567 PolarHBondContact O-N 3.33Å
143V98.2Very high93.9Very high0 Ų018.7 Ų18.70%011%0.11CC..EExtended strand (participates in β ladder)trans-123.9130.8-177-173.80000111Y139 E140 M549 Y553 I567 I572Y139-V143 HydrophobicContact CD1-CG1 4.17Å; Y139-V143 PolarHBondContact N-O 3.34Å; E140-V143 HydrophobicContact CB-CB 3.89Å; E140-V143 HydrophobicContact CB-CG2 4.09Å; E140-V143 HydrophobicContact CG-CB 4.2Å; E140-V143 HydrophobicContact CG-CG2 4.34Å; E140-V143 PolarHBondContact N-O 3.48Å; E140-V143 PolarHBondContact O-N 2.9Å; E140-V143 VanDerWaalsContact O-O 3.07Å; E140-V143 WeakPolarHBondContact OE2-CG2 3.23Å; V143-M549 HydrophobicContact CB-CE 4.34Å; V143-M549 HydrophobicContact CG1-CE 4.04Å; V143-M549 HydrophobicContact CG1-CG 3.95Å; V143-M549 HydrophobicContact CG1-SD 4.21Å; V143-M549 HydrophobicContact CG2-CB 4.01Å; V143-M549 HydrophobicContact CG2-CE 3.96Å; V143-M549 HydrophobicContact CG2-CG 3.92Å; V143-Y553 HydrophobicContact CG2-CE2 3.97Å; V143-I567 VanDerWaalsContact CA-O 3.24Å; V143-I567 WeakPolarHBondContact CA-O 3.28Å; V143-I567 HydrophobicContact CG2-CG2 4.02Å; V143-I572 HydrophobicContact CG1-CD1 4.01Å
144F97.9Very high93.8Very high0 Ų018.6 Ų18.60%011%0.111CC..EExtended strand (participates in β ladder)trans-122.3153.7173.768.4-85.7000112.3L6 F136 L137 L146 L178 I537 F539 I567 G568 S569L6-F144 HydrophobicContact CD1-CB 4.22Å; F136-F144 HydrophobicContact CD2-CB 3.88Å; F136-F144 HydrophobicContact CE2-CB 4.43Å; L137-F144 CarbonylContact O-C 3.54Å; L137-F144 VanDerWaalsContact O-CA 3.25Å; L137-F144 WeakPolarHBondContact O-CA 3.41Å; F144-L146 HydrophobicContact CD2-CD2 4.32Å; F144-L146 HydrophobicContact CE2-CD2 4.44Å; F144-L178 HydrophobicContact CD1-CD2 3.74Å; F144-L178 HydrophobicContact CD2-CD2 3.89Å; F144-L178 HydrophobicContact CE1-CD2 3.53Å; F144-L178 HydrophobicContact CE2-CD2 3.69Å; F144-L178 HydrophobicContact CG-CD2 3.92Å; F144-L178 HydrophobicContact CZ-CD2 3.5Å; F144-I537 HydrophobicContact CE1-CG2 3.99Å; F144-I537 HydrophobicContact CZ-CG2 4.16Å; F144-F539 AromaticContact CE2-CD2 3.9Å; F144-F539 HydrophobicContact CE2-CD2 3.9Å; F144-F539 HydrophobicContact CE2-CE2 4.42Å; F144-F539 HydrophobicContact CZ-CD2 4.11Å; F144-I567 WeakPolarHBondContact CD1-O 3.32Å; F144-I567 PolarHBondContact N-O 3.07Å; F144-G568 VanDerWaalsContact CE1-N 3.32Å; F144-G568 WeakPolarHBondContact O-CA 3.12Å; F144-S569 PolarHBondContact O-N 2.98Å
145S97.4Very high93.6Very high5 Ų518.8 Ų18.84%0.03511%0.112CC..EExtended strand (participates in β ladder)trans-132.8142.8176.1177.50000110.2L137 D147 S569 S570L137-S145 WeakPolarHBondContact CB-O 3.4Å; L137-S145 PolarHBondContact N-O 3.25Å; L137-S145 PolarHBondContact O-N 3.3Å; S145-D147 VanDerWaalsContact C-N 3.32Å; S145-D147 PolarHBondContact OG-N 3.44Å; S145-S569 WeakPolarHBondContact CA-O 3.2Å; S145-S570 PolarHBondContact OG-O 3.41Å
146L95.9Very high93.3Very high4 Ų419.5 Ų19.52%0.02111%0.114CC..  trans-87.7-5174.9-55.5-170.8000113.5F136 F144 V171 Q174 I175 F539 S569F136-L146 HydrophobicContact CB-CD2 3.96Å; F144-L146 HydrophobicContact CD2-CD2 4.32Å; F144-L146 HydrophobicContact CE2-CD2 4.44Å; L146-V171 HydrophobicContact CD1-CB 4.14Å; L146-V171 HydrophobicContact CD1-CG1 3.78Å; L146-V171 HydrophobicContact CD1-CG2 3.95Å; L146-Q174 HydrophobicContact CD1-CB 4.26Å; L146-Q174 HydrophobicContact CD2-CB 3.67Å; L146-Q174 HydrophobicContact CG-CB 4.48Å; L146-Q174 PolarHBondContact O-NE2 3.14Å; L146-Q174 VanDerWaalsContact O-NE2 3.08Å; L146-I175 HydrophobicContact CD1-CG1 4.42Å; L146-F539 HydrophobicContact CD1-CE2 3.5Å; L146-F539 HydrophobicContact CD1-CZ 3.6Å; L146-F539 HydrophobicContact CG-CE2 3.94Å; L146-F539 HydrophobicContact CG-CZ 4.45Å; L146-S569 PolarHBondContact N-O 3.33Å
147D92.8Very high92.7Very high37 Ų3720.2 Ų20.220%0.19812%0.118CC..  trans61.335-179.7-151.229.1000116.5R39 L137 S145 S570R39-D147 WeakPolarHBondContact CD-OD2 3.42Å; R39-D147 IonicContact CZ-OD1 2.88Å; R39-D147 VanDerWaalsContact CZ-OD1 3.25Å; R39-D147 IonicContact CZ-OD2 2.99Å; R39-D147 IonicContact NE-OD2 3.35Å; R39-D147 IonicContact NH1-OD1 3.64Å; R39-D147 PolarHBondContact NH1-OD1 3.43Å; R39-D147 IonicContact NH1-OD2 2.8Å; R39-D147 PolarHBondContact NH1-OD2 3.07Å; R39-D147 IonicContact NH2-OD1 3.76Å; L137-D147 HydrophobicContact CD1-CB 3.48Å; L137-D147 VanDerWaalsContact CD1-CB 3.48Å; L137-D147 HydrophobicContact CG-CB 4.23Å; S145-D147 VanDerWaalsContact C-N 3.32Å; S145-D147 PolarHBondContact OG-N 3.44Å; D147-S570 PolarHBondContact N-O 3.19Å
148D91.3Very high91.4Very high38 Ų3824.4 Ų24.420%0.20314%0.141CC..  trans-121.791.8178.2-176.216.6000111.8T150 S151 S570 H571D148-T150 PolarHBondContact O-N 3.27Å; D148-T150 WeakPolarHBondContact OD1-CA 3.47Å; D148-T150 WeakPolarHBondContact OD1-CB 3.31Å; D148-T150 PolarHBondContact OD1-N 3.09Å; D148-T150 PolarHBondContact OD1-OG1 3.34Å; D148-S151 WeakPolarHBondContact CB-OG 3.32Å; D148-S151 WeakPolarHBondContact O-CB 3.48Å; D148-S151 PolarHBondContact O-N 3.16Å; D148-S151 PolarHBondContact OD1-N 3.27Å; D148-S151 PolarHBondContact OD2-N 2.79Å; D148-S151 PolarHBondContact OD2-OG 3.36Å; D148-S570 PolarHBondContact N-O 3.48Å; D148-S570 VanDerWaalsContact O-CB 3.31Å; D148-S570 WeakPolarHBondContact O-CB 3.46Å; D148-H571 PolarHBondContact O-ND1 3.24Å; D148-H571 VanDerWaalsContact O-ND1 3.16Å
149P88Confident90Very high72 Ų7232.9 Ų32.947%0.46818%0.18SC..THydrogen-bonded Turntrans-63.2-26.2171.625-31.7000112.7S151 H571P149-S151 VanDerWaalsContact C-N 3.25Å; P149-S151 PolarHBondContact O-N 3.43Å; P149-H571 WeakPolarHBondContact CA-ND1 3.43Å
150T89.1Confident88.5Confident80 Ų8036.6 Ų36.649%0.49120%0.197SC..THydrogen-bonded Turntrans-78.2-9-176.974.70000113.7D148 L152 S153 S154D148-T150 PolarHBondContact O-N 3.27Å; D148-T150 WeakPolarHBondContact OD1-CA 3.47Å; D148-T150 WeakPolarHBondContact OD1-CB 3.31Å; D148-T150 PolarHBondContact OD1-N 3.09Å; D148-T150 PolarHBondContact OD1-OG1 3.34Å; T150-L152 VanDerWaalsContact C-N 3.27Å; T150-L152 PolarHBondContact O-N 3.1Å; T150-S153 PolarHBondContact O-N 2.85Å; T150-S153 PolarHBondContact O-OG 2.89Å; T150-S153 VanDerWaalsContact O-OG 3.05Å; T150-S154 WeakPolarHBondContact O-CB 3.39Å; T150-S154 PolarHBondContact O-N 3.4Å; T150-S154 PolarHBondContact O-OG 3.22Å
151S87.8Confident87.4Confident1 Ų139.8 Ų39.81%0.00722%0.22CC..Hα-helixtrans-57.8-36.9176-78.60000112.7D148 P149 S154 F155 M167 S570D148-S151 WeakPolarHBondContact CB-OG 3.32Å; D148-S151 WeakPolarHBondContact O-CB 3.48Å; D148-S151 PolarHBondContact O-N 3.16Å; D148-S151 PolarHBondContact OD1-N 3.27Å; D148-S151 PolarHBondContact OD2-N 2.79Å; D148-S151 PolarHBondContact OD2-OG 3.36Å; P149-S151 VanDerWaalsContact C-N 3.25Å; P149-S151 PolarHBondContact O-N 3.43Å; S151-S154 PolarHBondContact O-N 3.02Å; S151-F155 VanDerWaalsContact O-CB 3.24Å; S151-F155 WeakPolarHBondContact O-CB 3.45Å; S151-F155 PolarHBondContact O-N 3.34Å; S151-M167 WeakPolarHBondContact O-CE 3.15Å; S151-S570 WeakPolarHBondContact OG-CB 3.25Å
152L89.8Confident86.8Confident1 Ų142.7 Ų42.71%0.00524%0.24CC..Hα-helixtrans-64.2-52.1-178-168.9159.7000110.4T150 S154 F155 Y156 G542 F578 D581 L585T150-L152 VanDerWaalsContact C-N 3.27Å; T150-L152 PolarHBondContact O-N 3.1Å; L152-S154 PolarHBondContact O-N 2.6Å; L152-F155 PolarHBondContact O-N 3.28Å; L152-Y156 HydrophobicContact CD2-CD2 4Å; L152-Y156 HydrophobicContact CG-CD2 4.03Å; L152-Y156 HydrophobicContact CG-CE2 4.29Å; L152-Y156 VanDerWaalsContact O-CD2 3.23Å; L152-Y156 WeakPolarHBondContact O-CD2 3.31Å; L152-Y156 PolarHBondContact O-N 3.34Å; L152-Y156 VanDerWaalsContact O-N 3.09Å; L152-G542 WeakPolarHBondContact CD1-O 3.32Å; L152-F578 HydrophobicContact CD1-CD2 4.27Å; L152-F578 HydrophobicContact CD1-CE2 4.28Å; L152-D581 HydrophobicContact CD1-CB 3.83Å; L152-D581 HydrophobicContact CD2-CB 4.21Å; L152-D581 HydrophobicContact CG-CB 4.47Å; L152-L585 HydrophobicContact CD2-CD1 4.04Å; L152-L585 HydrophobicContact CD2-CD2 3.76Å; L152-L585 HydrophobicContact CD2-CG 4.16Å
153S89Confident86.2Confident38 Ų3845.6 Ų45.627%0.26626%0.257SS..Hα-helixtrans-64.8-39.7177.457.20000112.3T150 F155 N157T150-S153 PolarHBondContact O-N 2.85Å; T150-S153 PolarHBondContact O-OG 2.89Å; T150-S153 VanDerWaalsContact O-OG 3.05Å; S153-F155 VanDerWaalsContact C-N 3.3Å; S153-F155 PolarHBondContact O-N 2.97Å; S153-N157 WeakPolarHBondContact O-CB 3.38Å; S153-N157 PolarHBondContact O-N 2.94Å
154S89.9Confident85.7Confident27 Ų2747.3 Ų47.319%0.18926%0.263CS..Hα-helixtrans-64.9-32.7177.6-57.30000112.9T150 S151 L152 R164T150-S154 WeakPolarHBondContact O-CB 3.39Å; T150-S154 PolarHBondContact O-N 3.4Å; T150-S154 PolarHBondContact O-OG 3.22Å; S151-S154 PolarHBondContact O-N 3.02Å; L152-S154 PolarHBondContact O-N 2.6Å; S154-R164 WeakPolarHBondContact O-CB 3.22Å; S154-R164 WeakPolarHBondContact O-CG 3.47Å
155F89.6Confident85.4Confident5 Ų551 Ų512%0.02228%0.283CS..Hα-helixtrans-78.1-42.2179.2-165.8-99.9000112.6S151 L152 S153 R164 M167 M168 E196 V541S151-F155 VanDerWaalsContact O-CB 3.24Å; S151-F155 WeakPolarHBondContact O-CB 3.45Å; S151-F155 PolarHBondContact O-N 3.34Å; L152-F155 PolarHBondContact O-N 3.28Å; S153-F155 VanDerWaalsContact C-N 3.3Å; S153-F155 PolarHBondContact O-N 2.97Å; F155-R164 WeakPolarHBondContact O-CD 3.36Å; F155-M167 HydrophobicContact CB-CE 3.61Å; F155-M167 HydrophobicContact CD2-CE 3.91Å; F155-M167 HydrophobicContact CG-CE 4.26Å; F155-M168 HydrophobicContact CD2-CE 3.78Å; F155-M168 HydrophobicContact CE2-CE 3.5Å; F155-M168 VanDerWaalsContact CE2-CE 3.5Å; F155-M168 HydrophobicContact CZ-CE 4.49Å; F155-E196 HydrophobicContact CE1-CB 4.16Å; F155-E196 HydrophobicContact CE2-CB 3.7Å; F155-E196 HydrophobicContact CZ-CB 3.43Å; F155-E196 VanDerWaalsContact CZ-CB 3.43Å; F155-E196 HydrophobicContact CZ-CG 4.42Å; F155-V541 HydrophobicContact CB-CG1 4.13Å; F155-V541 HydrophobicContact CD1-CG1 3.85Å; F155-V541 HydrophobicContact CD2-CG1 3.58Å; F155-V541 HydrophobicContact CE1-CG1 4.07Å; F155-V541 HydrophobicContact CE2-CG1 3.79Å; F155-V541 HydrophobicContact CE2-CG2 4.5Å; F155-V541 HydrophobicContact CG-CG1 3.58Å; F155-V541 HydrophobicContact CZ-CG1 4.03Å
156Y88.8Confident85Confident16 Ų1656.9 Ų56.96%0.06331%0.308CS..Hα-helixtrans-99.7-13.5-169.1-66.8-68.7000115.4L152 D233 R234 N444 I445L152-Y156 HydrophobicContact CD2-CD2 4Å; L152-Y156 HydrophobicContact CG-CD2 4.03Å; L152-Y156 HydrophobicContact CG-CE2 4.29Å; L152-Y156 VanDerWaalsContact O-CD2 3.23Å; L152-Y156 WeakPolarHBondContact O-CD2 3.31Å; L152-Y156 PolarHBondContact O-N 3.34Å; L152-Y156 VanDerWaalsContact O-N 3.09Å; Y156-D233 WeakPolarHBondContact OH-CB 3.45Å; Y156-R234 HydrophobicContact CE2-CB 4.26Å; Y156-R234 WeakPolarHBondContact OH-CB 3.39Å; Y156-R234 PolarHBondContact OH-N 3.3Å; Y156-N444 WeakPolarHBondContact CD1-O 3.42Å; Y156-I445 HydrophobicContact CD1-CB 4.16Å; Y156-I445 HydrophobicContact CD1-CG2 3.86Å; Y156-I445 HydrophobicContact CD2-CG2 3.73Å; Y156-I445 HydrophobicContact CE1-CB 3.96Å; Y156-I445 HydrophobicContact CE1-CG2 3.96Å; Y156-I445 HydrophobicContact CE2-CG2 3.85Å; Y156-I445 HydrophobicContact CG-CG2 3.75Å
157N84.8Confident84.8Confident15 Ų1557.3 Ų57.38%0.0831%0.31CS..  trans-75.5134.9174-73.3-5.2000111.1S153 L585 E586S153-N157 WeakPolarHBondContact O-CB 3.38Å; S153-N157 PolarHBondContact O-N 2.94Å; N157-L585 WeakPolarHBondContact OD1-CA 3.42Å; N157-L585 VanDerWaalsContact OD1-CD2 3.22Å; N157-L585 WeakPolarHBondContact OD1-CD2 3.48Å; N157-E586 PolarHBondContact OD1-N 3.16Å; N157-E586 VanDerWaalsContact OD1-N 3.1Å
158N69.7Low84.8Confident91 Ų9155.9 Ų55.949%0.48730%0.302SS..SBendtrans-79.6-21.4-173.7-69.3-61.5000114R454N158-R454 PolarHBondContact ND2-NH2 3.43Å
159E65.6Low84.9Confident177 Ų17758.1 Ų58.183%0.82731%0.311SS*.SBendtrans-88.4-10.4-167.5-61.2-162.9158.100115.2
160K65.9Low85.1Confident107 Ų10758.9 Ų58.947%0.46531%0.311SS..  trans-120.961.1-168.3-62.1-179.9177.6-178.10113.6S162 D163 R164K160-S162 VanDerWaalsContact C-N 3.3Å; K160-S162 PolarHBondContact O-N 3.35Å; K160-D163 HydrophobicContact CB-CB 4.06Å; K160-D163 WeakPolarHBondContact CD-OD2 3.27Å; K160-D163 PolarHBondContact O-N 3.45Å; K160-R164 PolarHBondContact O-N 2.92Å
161S73.6Confident85.5Confident73 Ų7355.2 Ų55.251%0.5129%0.289SS..Hα-helixtrans-58.7-37.2-177.564.20000113.9N165S161-N165 VanDerWaalsContact O-CG 3.31Å; S161-N165 PolarHBondContact O-N 3.09Å; S161-N165 VanDerWaalsContact O-N 3.13Å; S161-N165 PolarHBondContact O-OD1 3.14Å
162S80.8Confident85.9Confident87 Ų8755.2 Ų55.261%0.60829%0.289SS*.Hα-helixtrans-67.9-43.7178-172.60000112.5K160 R164 N165 K166K160-S162 VanDerWaalsContact C-N 3.3Å; K160-S162 PolarHBondContact O-N 3.35Å; S162-R164 VanDerWaalsContact C-N 3.29Å; S162-R164 PolarHBondContact O-N 2.86Å; S162-N165 PolarHBondContact O-N 3.35Å; S162-K166 PolarHBondContact O-N 3.28Å; S162-K166 VanDerWaalsContact O-N 3.11Å
163D83.8Confident86.1Confident83 Ų8356 Ų5644%0.44429%0.292SS..Hα-helixtrans-66.4-37.1179.5-64.1-23.6000110.6K160 K166 M167K160-D163 HydrophobicContact CB-CB 4.06Å; K160-D163 WeakPolarHBondContact CD-OD2 3.27Å; K160-D163 PolarHBondContact O-N 3.45Å; D163-K166 PolarHBondContact O-N 3.43Å; D163-M167 WeakPolarHBondContact O-CB 3.45Å; D163-M167 PolarHBondContact O-N 3.44Å
164R88.7Confident86.5Confident37 Ų3755.1 Ų55.114%0.1428%0.284CS..Hα-helixtrans-62.2-45.6175.2-173.7167.760.8173.84.3112.7S154 F155 K160 S162 M167 M168 E196S154-R164 WeakPolarHBondContact O-CB 3.22Å; S154-R164 WeakPolarHBondContact O-CG 3.47Å; F155-R164 WeakPolarHBondContact O-CD 3.36Å; K160-R164 PolarHBondContact O-N 2.92Å; S162-R164 VanDerWaalsContact C-N 3.29Å; S162-R164 PolarHBondContact O-N 2.86Å; R164-M167 PolarHBondContact O-N 3Å; R164-M168 HydrophobicContact CG-CE 3.76Å; R164-M168 HydrophobicContact CG-SD 4.37Å; R164-M168 WeakPolarHBondContact O-CG 3.35Å; R164-M168 PolarHBondContact O-N 2.74Å; R164-E196 IonicContact CZ-OE1 2.89Å; R164-E196 IonicContact NH1-OE1 3.34Å; R164-E196 PolarHBondContact NH1-OE1 2.88Å; R164-E196 IonicContact NH2-OE1 3.75Å; R164-E196 PolarHBondContact NH2-OE1 3.45Å
165N90.8Very high86.8Confident77 Ų7753.9 Ų53.941%0.41228%0.275SS..Hα-helixtrans-62.7-46.2177.7-68.9-11.1000111.1S161 S162 M167 M168 E169S161-N165 VanDerWaalsContact O-CG 3.31Å; S161-N165 PolarHBondContact O-N 3.09Å; S161-N165 VanDerWaalsContact O-N 3.13Å; S161-N165 PolarHBondContact O-OD1 3.14Å; S162-N165 PolarHBondContact O-N 3.35Å; N165-M167 VanDerWaalsContact C-N 3.29Å; N165-M167 PolarHBondContact O-N 2.89Å; N165-M168 WeakPolarHBondContact O-CB 3.35Å; N165-M168 PolarHBondContact O-N 2.92Å; N165-M168 VanDerWaalsContact O-N 3.13Å; N165-E169 WeakPolarHBondContact O-CG 3.32Å; N165-E169 PolarHBondContact O-N 3.36Å
166K89.5Confident87.1Confident129 Ų12953.6 Ų53.656%0.56127%0.274SS*.Hα-helixtrans-60.1-40.6176.5-175.3176.8-179.5179.30112.1S162 D163 E169 N170S162-K166 PolarHBondContact O-N 3.28Å; S162-K166 VanDerWaalsContact O-N 3.11Å; D163-K166 PolarHBondContact O-N 3.43Å; K166-E169 PolarHBondContact O-N 3.47Å; K166-N170 VanDerWaalsContact O-CG 3.25Å; K166-N170 PolarHBondContact O-N 2.7Å; K166-N170 PolarHBondContact O-ND2 3.44Å
167M91.9Very high87.5Confident13 Ų1352.9 Ų52.96%0.06427%0.271CS..Hα-helixtrans-63.9-43.9175179.7-86.4-7300111.4S151 F155 D163 R164 N165 E169 N170 V171S151-M167 WeakPolarHBondContact O-CE 3.15Å; F155-M167 HydrophobicContact CB-CE 3.61Å; F155-M167 HydrophobicContact CD2-CE 3.91Å; F155-M167 HydrophobicContact CG-CE 4.26Å; D163-M167 WeakPolarHBondContact O-CB 3.45Å; D163-M167 PolarHBondContact O-N 3.44Å; R164-M167 PolarHBondContact O-N 3Å; N165-M167 VanDerWaalsContact C-N 3.29Å; N165-M167 PolarHBondContact O-N 2.89Å; M167-E169 PolarHBondContact O-N 2.59Å; M167-N170 PolarHBondContact O-N 2.82Å; M167-V171 HydrophobicContact CG-CG2 4.43Å; M167-V171 WeakPolarHBondContact O-CB 3.42Å; M167-V171 VanDerWaalsContact O-CG2 3.31Å; M167-V171 WeakPolarHBondContact O-CG2 3.39Å; M167-V171 PolarHBondContact O-N 2.78Å; M167-V171 HydrophobicContact SD-CG2 3.77Å
168M93.6Very high88.1Confident7 Ų752.1 Ų52.13%0.03427%0.267CS..Hα-helixtrans-61-41.9175.6-71.4171.5176.100112.5F155 R164 N165 N170 V171 A172 E196 K199 L200F155-M168 HydrophobicContact CD2-CE 3.78Å; F155-M168 HydrophobicContact CE2-CE 3.5Å; F155-M168 VanDerWaalsContact CE2-CE 3.5Å; F155-M168 HydrophobicContact CZ-CE 4.49Å; R164-M168 HydrophobicContact CG-CE 3.76Å; R164-M168 HydrophobicContact CG-SD 4.37Å; R164-M168 WeakPolarHBondContact O-CG 3.35Å; R164-M168 PolarHBondContact O-N 2.74Å; N165-M168 WeakPolarHBondContact O-CB 3.35Å; N165-M168 PolarHBondContact O-N 2.92Å; N165-M168 VanDerWaalsContact O-N 3.13Å; M168-N170 VanDerWaalsContact C-N 3.35Å; M168-N170 PolarHBondContact O-N 3.34Å; M168-V171 PolarHBondContact O-N 3.2Å; M168-A172 VanDerWaalsContact O-CB 3.23Å; M168-A172 WeakPolarHBondContact O-CB 3.28Å; M168-A172 PolarHBondContact O-N 3.43Å; M168-E196 HydrophobicContact CE-CB 3.55Å; M168-E196 HydrophobicContact CE-CG 3.78Å; M168-K199 HydrophobicContact SD-CB 4.43Å; M168-L200 HydrophobicContact CB-CD1 4.05Å; M168-L200 HydrophobicContact CG-CB 4.47Å; M168-L200 HydrophobicContact CG-CD1 4.25Å
169E93.1Very high89.3Confident84 Ų8447.8 Ų47.839%0.39324%0.244SC..Hα-helixtrans-61.4-41.3175.8-74.7170.7-159.200112.2N165 K166 M167 E173 E203 R207N165-E169 WeakPolarHBondContact O-CG 3.32Å; N165-E169 PolarHBondContact O-N 3.36Å; K166-E169 PolarHBondContact O-N 3.47Å; M167-E169 PolarHBondContact O-N 2.59Å; E169-E173 PolarHBondContact O-N 3.17Å; E169-E173 VanDerWaalsContact O-N 3.11Å; E169-E203 HydrophobicContact CG-CG 4.36Å; E169-R207 PolarHBondContact O-NH1 3.48Å
170N92.5Very high90.7Very high88 Ų8840.4 Ų40.447%0.47121%0.211SC..Hα-helixtrans-66.8-49.1176.2-70.1-14000111K166 M167 M168 A172 E173 Q174K166-N170 VanDerWaalsContact O-CG 3.25Å; K166-N170 PolarHBondContact O-N 2.7Å; K166-N170 PolarHBondContact O-ND2 3.44Å; M167-N170 PolarHBondContact O-N 2.82Å; M168-N170 VanDerWaalsContact C-N 3.35Å; M168-N170 PolarHBondContact O-N 3.34Å; N170-A172 VanDerWaalsContact C-N 3.25Å; N170-A172 PolarHBondContact O-N 3.04Å; N170-E173 PolarHBondContact O-N 2.98Å; N170-Q174 WeakPolarHBondContact O-CG 3.26Å; N170-Q174 PolarHBondContact O-N 3.18Å
171V95.6Very high92Very high4 Ų436.1 Ų36.12%0.02419%0.193CC..Hα-helixtrans-58.2-41.5177.5168.10000110.7L146 M167 M168 Q174 I175 L200 F539L146-V171 HydrophobicContact CD1-CB 4.14Å; L146-V171 HydrophobicContact CD1-CG1 3.78Å; L146-V171 HydrophobicContact CD1-CG2 3.95Å; M167-V171 HydrophobicContact CG-CG2 4.43Å; M167-V171 WeakPolarHBondContact O-CB 3.42Å; M167-V171 VanDerWaalsContact O-CG2 3.31Å; M167-V171 WeakPolarHBondContact O-CG2 3.39Å; M167-V171 PolarHBondContact O-N 2.78Å; M167-V171 HydrophobicContact SD-CG2 3.77Å; M168-V171 PolarHBondContact O-N 3.2Å; V171-Q174 PolarHBondContact O-N 2.87Å; V171-I175 HydrophobicContact CG1-CD1 3.61Å; V171-I175 HydrophobicContact CG1-CG1 4.37Å; V171-I175 WeakPolarHBondContact O-CB 3.25Å; V171-I175 VanDerWaalsContact O-CG1 3.29Å; V171-I175 WeakPolarHBondContact O-CG1 3.47Å; V171-I175 PolarHBondContact O-N 3.23Å; V171-L200 HydrophobicContact CB-CD1 4.27Å; V171-L200 HydrophobicContact CG1-CD1 3.93Å; V171-L200 HydrophobicContact CG1-CD2 4.35Å; V171-F539 HydrophobicContact CG1-CD1 4.47Å; V171-F539 HydrophobicContact CG1-CE1 3.5Å; V171-F539 VanDerWaalsContact CG1-CE1 3.5Å; V171-F539 HydrophobicContact CG1-CE2 4.44Å; V171-F539 HydrophobicContact CG1-CZ 3.49Å; V171-F539 VanDerWaalsContact CG1-CZ 3.49Å
172A96.6Very high92.9Very high0 Ų033.1 Ų33.10%017%0.172CC..Hα-helixtrans-61.9-43.8177.400000112.6M168 N170 A176 E203 I204 R207M168-A172 VanDerWaalsContact O-CB 3.23Å; M168-A172 WeakPolarHBondContact O-CB 3.28Å; M168-A172 PolarHBondContact O-N 3.43Å; N170-A172 VanDerWaalsContact C-N 3.25Å; N170-A172 PolarHBondContact O-N 3.04Å; A172-A176 WeakPolarHBondContact O-CB 3.26Å; A172-A176 PolarHBondContact O-N 2.9Å; A172-E203 HydrophobicContact CB-CB 3.92Å; A172-E203 HydrophobicContact CB-CG 3.82Å; A172-I204 HydrophobicContact CB-CG1 3.82Å; A172-R207 HydrophobicContact CB-CG 4.1Å
173E95.1Very high93.4Very high17 Ų1731.2 Ų31.28%0.07916%0.155CC..Hα-helixtrans-60.7-50174.6-16558.7-153.100111D107 T108 E169 N170 I175 A176 T177 R207 H211D107-E173 HydrophobicContact CB-CG 4.17Å; T108-E173 PolarHBondContact OG1-OE1 2.87Å; T108-E173 VanDerWaalsContact OG1-OE1 3.09Å; E169-E173 PolarHBondContact O-N 3.17Å; E169-E173 VanDerWaalsContact O-N 3.11Å; N170-E173 PolarHBondContact O-N 2.98Å; E173-I175 VanDerWaalsContact C-N 3.34Å; E173-I175 PolarHBondContact O-N 2.96Å; E173-A176 WeakPolarHBondContact O-CA 3.27Å; E173-A176 WeakPolarHBondContact O-CB 3.46Å; E173-A176 PolarHBondContact O-N 2.85Å; E173-T177 WeakPolarHBondContact O-CG2 3.47Å; E173-T177 PolarHBondContact O-N 2.9Å; E173-R207 VanDerWaalsContact OE2-CD 3.28Å; E173-R207 WeakPolarHBondContact OE2-CD 3.48Å; E173-R207 IonicContact OE2-CZ 3.32Å; E173-R207 IonicContact OE2-NE 3.41Å; E173-R207 IonicContact OE2-NH1 2.7Å; E173-R207 PolarHBondContact OE2-NH1 3.21Å; E173-H211 IonicContact OE1-CE1 2.67Å; E173-H211 IonicContact OE1-NE2 2.81Å; E173-H211 PolarHBondContact OE1-NE2 3.46Å; E173-H211 VanDerWaalsContact OE1-NE2 3.1Å
174Q95.9Very high93.9Very high21 Ų2127.4 Ų27.410%0.09813%0.134CC..Hα-helixtrans-62.5-41.4-176.6-62.8177-79.600111.9M36 A135 L146 N170 V171 A176 T177 L178M36-Q174 VanDerWaalsContact CE-NE2 3.31Å; A135-Q174 HydrophobicContact CB-CB 4.42Å; A135-Q174 HydrophobicContact CB-CG 3.93Å; A135-Q174 WeakPolarHBondContact O-CB 3.44Å; A135-Q174 VanDerWaalsContact O-CG 3.24Å; A135-Q174 WeakPolarHBondContact O-CG 3.48Å; A135-Q174 PolarHBondContact O-NE2 3.47Å; L146-Q174 HydrophobicContact CD1-CB 4.26Å; L146-Q174 HydrophobicContact CD2-CB 3.67Å; L146-Q174 HydrophobicContact CG-CB 4.48Å; L146-Q174 PolarHBondContact O-NE2 3.14Å; L146-Q174 VanDerWaalsContact O-NE2 3.08Å; N170-Q174 WeakPolarHBondContact O-CG 3.26Å; N170-Q174 PolarHBondContact O-N 3.18Å; V171-Q174 PolarHBondContact O-N 2.87Å; Q174-A176 VanDerWaalsContact C-N 3.33Å; Q174-A176 PolarHBondContact O-N 3.42Å; Q174-T177 PolarHBondContact O-N 3.26Å; Q174-T177 PolarHBondContact O-OG1 3.19Å; Q174-L178 PolarHBondContact O-N 2.76Å
175I97.4Very high94.1Very high0 Ų028.9 Ų28.90%014%0.14CC..Hα-helixtrans-65.3-37.4174.8-68.2169.2000111.2L146 V171 E173 L178 C179 I204 L229 F539L146-I175 HydrophobicContact CD1-CG1 4.42Å; V171-I175 HydrophobicContact CG1-CD1 3.61Å; V171-I175 HydrophobicContact CG1-CG1 4.37Å; V171-I175 WeakPolarHBondContact O-CB 3.25Å; V171-I175 VanDerWaalsContact O-CG1 3.29Å; V171-I175 WeakPolarHBondContact O-CG1 3.47Å; V171-I175 PolarHBondContact O-N 3.23Å; E173-I175 VanDerWaalsContact C-N 3.34Å; E173-I175 PolarHBondContact O-N 2.96Å; I175-L178 WeakPolarHBondContact O-CB 3.49Å; I175-L178 PolarHBondContact O-N 3.46Å; I175-C179 PolarHBondContact O-N 3.45Å; I175-C179 VanDerWaalsContact O-N 3.08Å; I175-C179 PolarHBondContact O-SG 2.66Å; I175-I204 HydrophobicContact CB-CG1 4.49Å; I175-I204 HydrophobicContact CD1-CD1 3.66Å; I175-I204 HydrophobicContact CD1-CG1 4.24Å; I175-I204 HydrophobicContact CG2-CD1 4.46Å; I175-I204 HydrophobicContact CG2-CG1 4.48Å; I175-I204 HydrophobicContact CG2-CG2 3.99Å; I175-L229 HydrophobicContact CG2-CD2 3.79Å; I175-F539 HydrophobicContact CD1-CB 4.23Å; I175-F539 HydrophobicContact CD1-CD1 3.62Å; I175-F539 HydrophobicContact CD1-CD2 3.8Å; I175-F539 HydrophobicContact CD1-CE1 3.83Å; I175-F539 HydrophobicContact CD1-CE2 4.02Å; I175-F539 HydrophobicContact CD1-CG 3.59Å; I175-F539 HydrophobicContact CD1-CZ 4.04Å; I175-F539 HydrophobicContact CG1-CD2 4.25Å; I175-F539 HydrophobicContact CG1-CE2 4.42Å; I175-F539 HydrophobicContact CG1-CG 4.46Å
176A96.6Very high94.3Very high0 Ų025.5 Ų25.50%012%0.122CC..Hα-helixtrans-63.1-42.2173.500000111.4A172 E173 Q174 L178 C179 D180 R207 L208A172-A176 WeakPolarHBondContact O-CB 3.26Å; A172-A176 PolarHBondContact O-N 2.9Å; E173-A176 WeakPolarHBondContact O-CA 3.27Å; E173-A176 WeakPolarHBondContact O-CB 3.46Å; E173-A176 PolarHBondContact O-N 2.85Å; Q174-A176 VanDerWaalsContact C-N 3.33Å; Q174-A176 PolarHBondContact O-N 3.42Å; A176-L178 VanDerWaalsContact C-N 3.3Å; A176-L178 PolarHBondContact O-N 3.5Å; A176-C179 PolarHBondContact O-N 2.9Å; A176-C179 VanDerWaalsContact O-N 3.12Å; A176-D180 PolarHBondContact O-N 3.23Å; A176-R207 HydrophobicContact CB-CB 3.7Å; A176-L208 HydrophobicContact CB-CD2 4.1Å; A176-L208 HydrophobicContact CB-CG 4.44Å
177T95.9Very high94.6Very high0 Ų020.4 Ų20.40%010%0.104CC..Hα-helixtrans-62.3-3417572.40000113.3D107 N133 A135 E173 Q174 T181D107-T177 HydrophobicContact CB-CG2 4.17Å; N133-T177 HydrophobicContact CB-CG2 4.19Å; N133-T177 WeakPolarHBondContact O-CB 3.33Å; A135-T177 HydrophobicContact CB-CG2 4.09Å; A135-T177 PolarHBondContact N-OG1 2.67Å; A135-T177 VanDerWaalsContact N-OG1 3.11Å; E173-T177 WeakPolarHBondContact O-CG2 3.47Å; E173-T177 PolarHBondContact O-N 2.9Å; Q174-T177 PolarHBondContact O-N 3.26Å; Q174-T177 PolarHBondContact O-OG1 3.19Å; T177-T181 VanDerWaalsContact O-CB 3.25Å; T177-T181 WeakPolarHBondContact O-CB 3.47Å; T177-T181 PolarHBondContact O-N 2.79Å; T177-T181 PolarHBondContact O-OG1 3.05Å
178L96.9Very high94.9Very high0 Ų020 Ų200%010%0.102CC..Hα-helixtrans-62.3-49.1171.717169.3000110.8L6 F136 F144 Q174 I175 A176 D180 T181 L182 I537L6-L178 HydrophobicContact CD2-CD1 3.85Å; F136-L178 HydrophobicContact CD1-CB 3.82Å; F136-L178 HydrophobicContact CD1-CD1 4.25Å; F136-L178 HydrophobicContact CD2-CD1 4.03Å; F136-L178 VanDerWaalsContact CE1-CA 3.45Å; F136-L178 HydrophobicContact CE1-CB 3.87Å; F136-L178 HydrophobicContact CE1-CD1 3.81Å; F136-L178 HydrophobicContact CE1-CG 4.48Å; F136-L178 HydrophobicContact CE2-CD1 3.54Å; F136-L178 HydrophobicContact CG-CB 4.33Å; F136-L178 HydrophobicContact CG-CD1 4.36Å; F136-L178 HydrophobicContact CZ-CB 4.38Å; F136-L178 HydrophobicContact CZ-CD1 3.42Å; F136-L178 VanDerWaalsContact CZ-CD1 3.42Å; F144-L178 HydrophobicContact CD1-CD2 3.74Å; F144-L178 HydrophobicContact CD2-CD2 3.89Å; F144-L178 HydrophobicContact CE1-CD2 3.53Å; F144-L178 HydrophobicContact CE2-CD2 3.69Å; F144-L178 HydrophobicContact CG-CD2 3.92Å; F144-L178 HydrophobicContact CZ-CD2 3.5Å; Q174-L178 PolarHBondContact O-N 2.76Å; I175-L178 WeakPolarHBondContact O-CB 3.49Å; I175-L178 PolarHBondContact O-N 3.46Å; A176-L178 VanDerWaalsContact C-N 3.3Å; A176-L178 PolarHBondContact O-N 3.5Å; L178-D180 PolarHBondContact O-N 2.94Å; L178-T181 PolarHBondContact O-N 3.31Å; L178-L182 HydrophobicContact CD1-CD1 3.8Å; L178-L182 HydrophobicContact CD1-CG 4.29Å; L178-L182 HydrophobicContact CG-CD1 4.11Å; L178-L182 WeakPolarHBondContact O-CB 3.38Å; L178-L182 VanDerWaalsContact O-CG 3.3Å; L178-L182 WeakPolarHBondContact O-CG 2.96Å; L178-L182 PolarHBondContact O-N 3.37Å; L178-I537 HydrophobicContact CD2-CG2 4.18Å
179C95.8Very high95Very high0 Ų019.7 Ų19.70%010%0.101CC..Hα-helixtrans-63.8-40.8179.6-63.50000111.7I175 A176 L182 N183 E184 L208I175-C179 PolarHBondContact O-N 3.45Å; I175-C179 VanDerWaalsContact O-N 3.08Å; I175-C179 PolarHBondContact O-SG 2.66Å; A176-C179 PolarHBondContact O-N 2.9Å; A176-C179 VanDerWaalsContact O-N 3.12Å; C179-L182 CarbonylContact O-C 3.21Å; C179-L182 PolarHBondContact O-N 2.74Å; C179-N183 WeakPolarHBondContact O-CA 3.08Å; C179-N183 PolarHBondContact O-N 2.83Å; C179-E184 WeakPolarHBondContact CB-O 3.25Å; C179-E184 PolarHBondContact O-N 3.45Å; C179-L208 HydrophobicContact CB-CD2 3.4Å; C179-L208 VanDerWaalsContact CB-CD2 3.4Å
180D94.3Very high95.2Very high22 Ų2217.9 Ų17.912%0.1189%0.091CC..Hα-helixtrans-62.8-46174.5-175.144.4000112.2K13 N133 A176 L178 L182 N183 N215 M218K13-D180 IonicContact NZ-OD2 2.72Å; N133-D180 WeakPolarHBondContact CB-OD2 3.44Å; N133-D180 PolarHBondContact ND2-OD2 2.68Å; A176-D180 PolarHBondContact O-N 3.23Å; L178-D180 PolarHBondContact O-N 2.94Å; D180-L182 PolarHBondContact O-N 2.92Å; D180-N183 PolarHBondContact O-N 3.05Å; D180-N215 PolarHBondContact OD1-ND2 3.34Å; D180-M218 VanDerWaalsContact CA-CE 3.45Å; D180-M218 HydrophobicContact CB-CE 3.56Å; D180-M218 WeakPolarHBondContact OD1-CE 3.44Å
181T93.6Very high95.3Very high17 Ų1715.8 Ų15.810%0.1048%0.076CC..Hα-helixtrans-59.1-33.8176.3-65.20000112.6V9 V10 K13 N133 F136 T177 L178V9-T181 HydrophobicContact CG1-CG2 3.84Å; V10-T181 HydrophobicContact CG2-CG2 4.2Å; K13-T181 HydrophobicContact CD-CG2 3.99Å; K13-T181 PolarHBondContact NZ-OG1 2.95Å; N133-T181 PolarHBondContact O-OG1 3.13Å; F136-T181 HydrophobicContact CE1-CG2 4.43Å; F136-T181 HydrophobicContact CZ-CG2 4.24Å; T177-T181 VanDerWaalsContact O-CB 3.25Å; T177-T181 WeakPolarHBondContact O-CB 3.47Å; T177-T181 PolarHBondContact O-N 2.79Å; T177-T181 PolarHBondContact O-OG1 3.05Å; L178-T181 PolarHBondContact O-N 3.31Å
182L92.4Very high95.1Very high10 Ų1022.2 Ų22.25%0.05210%0.104CC..THydrogen-bonded Turntrans-88.2-4.9176.9-67.3178000113.7L6 V9 L178 C179 D180 E184 K224 R535 L566L6-L182 HydrophobicContact CD2-CD1 4.18Å; L6-L182 HydrophobicContact CD2-CD2 3.83Å; L6-L182 HydrophobicContact CD2-CG 4.35Å; V9-L182 HydrophobicContact CG1-CD2 4.44Å; L178-L182 HydrophobicContact CD1-CD1 3.8Å; L178-L182 HydrophobicContact CD1-CG 4.29Å; L178-L182 HydrophobicContact CG-CD1 4.11Å; L178-L182 WeakPolarHBondContact O-CB 3.38Å; L178-L182 VanDerWaalsContact O-CG 3.3Å; L178-L182 WeakPolarHBondContact O-CG 2.96Å; L178-L182 PolarHBondContact O-N 3.37Å; C179-L182 CarbonylContact O-C 3.21Å; C179-L182 PolarHBondContact O-N 2.74Å; D180-L182 PolarHBondContact O-N 2.92Å; L182-E184 VanDerWaalsContact C-N 3.27Å; L182-E184 HydrophobicContact CB-CB 4.41Å; L182-E184 HydrophobicContact CB-CG 3.77Å; L182-E184 PolarHBondContact O-N 3.11Å; L182-K224 PolarHBondContact O-NZ 2.88Å; L182-R535 PolarHBondContact O-NH1 2.9Å; L182-L566 HydrophobicContact CD1-CD1 3.37Å
183N92.3Very high94.5Very high47 Ų4725 Ų2525%0.25113%0.133SC..THydrogen-bonded Turntrans51.144.1-170.3-162.356.7000112.1C179 D180 N215 K217 M218 G219 K224C179-N183 WeakPolarHBondContact O-CA 3.08Å; C179-N183 PolarHBondContact O-N 2.83Å; D180-N183 PolarHBondContact O-N 3.05Å; N183-N215 PolarHBondContact OD1-ND2 3.5Å; N183-K217 PolarHBondContact ND2-O 2.66Å; N183-K217 PolarHBondContact OD1-O 3.4Å; N183-M218 VanDerWaalsContact OD1-CA 3.23Å; N183-M218 WeakPolarHBondContact OD1-CA 3.37Å; N183-M218 PolarHBondContact OD1-N 3.3Å; N183-G219 PolarHBondContact O-N 3.15Å; N183-K224 WeakPolarHBondContact O-CD 3.49Å; N183-K224 WeakPolarHBondContact O-CE 3.39Å; N183-K224 PolarHBondContact O-NZ 3.5Å
184E92.6Very high94Very high2 Ų226.2 Ų26.21%0.00914%0.142CC..  trans-108.8140.8-179.4-67.3-63.8154.700111.1C179 L182 M218 K224 S227 R535C179-E184 WeakPolarHBondContact CB-O 3.25Å; C179-E184 PolarHBondContact O-N 3.45Å; L182-E184 VanDerWaalsContact C-N 3.27Å; L182-E184 HydrophobicContact CB-CB 4.41Å; L182-E184 HydrophobicContact CB-CG 3.77Å; L182-E184 PolarHBondContact O-N 3.11Å; E184-M218 WeakPolarHBondContact O-CG 3.24Å; E184-M218 VanDerWaalsContact O-SD 3.34Å; E184-K224 VanDerWaalsContact CD-NZ 3.31Å; E184-K224 IonicContact OE1-NZ 3.84Å; E184-K224 PolarHBondContact OE1-NZ 2.81Å; E184-K224 IonicContact OE2-NZ 2.74Å; E184-S227 WeakPolarHBondContact OE2-CB 3.14Å; E184-S227 PolarHBondContact OE2-OG 3.25Å; E184-R535 WeakPolarHBondContact OE1-CD 3.48Å; E184-R535 IonicContact OE1-CZ 3.68Å; E184-R535 IonicContact OE1-NE 3.21Å; E184-R535 IonicContact OE1-NH1 2.85Å; E184-R535 PolarHBondContact OE1-NH1 3.32Å
185Y94.4Very high93.7Very high69 Ų6931.9 Ų31.927%0.27117%0.168SC..  trans-125.677.2168.8-173.5-99.2000108.3L208 N209 K212 M218Y185-L208 HydrophobicContact CD2-CB 4.43Å; Y185-L208 HydrophobicContact CE2-CB 4.15Å; Y185-N209 PolarHBondContact OH-OD1 3.35Å; Y185-K212 HydrophobicContact CD2-CB 3.87Å; Y185-K212 HydrophobicContact CD2-CD 4.29Å; Y185-K212 HydrophobicContact CD2-CG 4.05Å; Y185-K212 HydrophobicContact CE2-CB 3.83Å; Y185-K212 HydrophobicContact CE2-CG 4.05Å; Y185-M218 HydrophobicContact CD2-SD 4.21Å
186P95.1Very high93.4Very high6 Ų633.8 Ų33.84%0.03918%0.177CC..PPolyproline II helixtrans-77151.7-168.931.4-35.7000112.6I188 S227 L229 I537P186-I188 PolarHBondContact O-N 3.45Å; P186-S227 WeakPolarHBondContact CA-O 3.42Å; P186-L229 HydrophobicContact CB-CB 3.97Å; P186-L229 HydrophobicContact CG-CB 3.71Å; P186-I537 HydrophobicContact CG-CD1 4.45Å
187A95.4Very high93.3Very high22 Ų2233.8 Ų33.818%0.18218%0.177CC..EExtended strand (participates in β ladder)trans-70.8119.2168.800000110.2S227 Q228 L229 F499 P503A187-S227 PolarHBondContact N-O 2.9Å; A187-Q228 HydrophobicContact CB-CG 4.48Å; A187-Q228 WeakPolarHBondContact O-CA 3.38Å; A187-L229 PolarHBondContact O-N 3.14Å; A187-F499 HydrophobicContact CB-CD1 4Å; A187-F499 HydrophobicContact CB-CE1 3.77Å; A187-P503 HydrophobicContact CB-CB 4.13Å
188I97.3Very high93.2Very high5 Ų535.1 Ų35.13%0.02619%0.188CC..EExtended strand (participates in β ladder)trans-85.6128.6-173.9-51.2172.9000110.5P186 A201 I204 Y205 L208 L229 I231 F499 I500P186-I188 PolarHBondContact O-N 3.45Å; I188-A201 HydrophobicContact CG2-CB 4.1Å; I188-I204 HydrophobicContact CD1-CB 4.5Å; I188-I204 HydrophobicContact CD1-CG2 4.01Å; I188-Y205 VanDerWaalsContact CD1-CA 3.49Å; I188-Y205 HydrophobicContact CD1-CD2 3.82Å; I188-Y205 HydrophobicContact CD1-CG 4.22Å; I188-L208 HydrophobicContact CD1-CD1 3.87Å; I188-L208 HydrophobicContact CG1-CD1 4.3Å; I188-L229 WeakPolarHBondContact CA-O 3.42Å; I188-L229 HydrophobicContact CG1-CD2 4.36Å; I188-I231 HydrophobicContact CG2-CD1 3.94Å; I188-F499 WeakPolarHBondContact O-CA 2.99Å; I188-I500 HydrophobicContact CB-CG1 4.49Å; I188-I500 HydrophobicContact CG2-CG1 4.24Å; I188-I500 PolarHBondContact O-N 3.16Å; I188-I500 VanDerWaalsContact O-N 3.07Å
189R96.9Very high93.2Very high0 Ų039.8 Ų39.80%021%0.209CC..EExtended strand (participates in β ladder)trans-127.3154.3171-53.2174.473.8168.91.7109.6Q228 L229 L230 I231 L492 W497 P498 F499R189-Q228 VanDerWaalsContact CD-OE1 3.29Å; R189-L229 PolarHBondContact N-O 3.03Å; R189-L230 HydrophobicContact CB-CD2 3.69Å; R189-L230 HydrophobicContact CG-CD2 4.15Å; R189-L230 CarbonylContact O-C 3.59Å; R189-L230 WeakPolarHBondContact O-CA 3.48Å; R189-I231 PolarHBondContact O-N 3.28Å; R189-L492 PolarHBondContact NH2-O 2.99Å; R189-W497 PolarHBondContact NE-O 2.83Å; R189-W497 PolarHBondContact NH2-O 3.08Å; R189-P498 VanDerWaalsContact CA-O 3.26Å; R189-P498 WeakPolarHBondContact CA-O 3.39Å; R189-P498 WeakPolarHBondContact CB-O 3.42Å; R189-F499 VanDerWaalsContact CD-CE1 3.45Å; R189-F499 VanDerWaalsContact CD-CZ 3.48Å; R189-F499 HydrophobicContact CG-CD1 3.39Å; R189-F499 HydrophobicContact CG-CD2 4.34Å; R189-F499 HydrophobicContact CG-CE1 3.38Å; R189-F499 HydrophobicContact CG-CE2 4.33Å; R189-F499 HydrophobicContact CG-CG 3.9Å; R189-F499 HydrophobicContact CG-CZ 3.89Å
190Y96.8Very high93.2Very high45 Ų4539.9 Ų39.918%0.17621%0.209CC..EExtended strand (participates in β ladder)trans-138.9153.6178.163.7-84.2000110.4K192 N197 A198 A201 I231 W497 P498 I500Y190-K192 PolarHBondContact O-N 3.23Å; Y190-N197 HydrophobicContact CD2-CB 4.22Å; Y190-A198 HydrophobicContact CD2-CB 4.09Å; Y190-A198 HydrophobicContact CE1-CB 4.48Å; Y190-A198 HydrophobicContact CE2-CB 3.57Å; Y190-A201 HydrophobicContact CD1-CB 3.91Å; Y190-A201 HydrophobicContact CG-CB 4.14Å; Y190-I231 WeakPolarHBondContact CA-O 3.47Å; Y190-W497 WeakPolarHBondContact O-CA 3.4Å; Y190-P498 HydrophobicContact CD1-CG 4.36Å; Y190-P498 HydrophobicContact CD2-CG 4.48Å; Y190-P498 HydrophobicContact CE1-CB 4.42Å; Y190-P498 HydrophobicContact CE1-CG 3.74Å; Y190-P498 HydrophobicContact CE2-CG 3.88Å; Y190-P498 VanDerWaalsContact CZ-CG 3.48Å; Y190-P498 PolarHBondContact N-O 2.9Å; Y190-P498 WeakPolarHBondContact O-CD 3.44Å; Y190-I500 HydrophobicContact CD1-CD1 3.78Å; Y190-I500 HydrophobicContact CD1-CG1 3.98Å; Y190-I500 HydrophobicContact CE1-CD1 3.5Å; Y190-I500 HydrophobicContact CE1-CG1 4.07Å
191R94.7Very high93.3Very high44 Ų4438.9 Ų38.917%0.16620%0.204CC..  trans-68.9121.3171.1178.4172.4169.7-140.315.2110.1N197 I231 D233 F236 W497R191-N197 PolarHBondContact O-ND2 2.72Å; R191-I231 PolarHBondContact N-O 3.3Å; R191-D233 WeakPolarHBondContact CD-OD1 3.41Å; R191-D233 IonicContact CZ-OD1 3.4Å; R191-D233 IonicContact NE-OD1 3.7Å; R191-D233 IonicContact NH1-OD1 2.79Å; R191-D233 PolarHBondContact NH1-OD1 2.95Å; R191-D233 IonicContact NH1-OD2 3.85Å; R191-D233 PolarHBondContact NH1-OD2 3.33Å; R191-F236 VanDerWaalsContact CZ-CA 3.45Å; R191-F236 VanDerWaalsContact NH1-CB 3.3Å; R191-W497 HydrophobicContact CB-CE3 4.13Å; R191-W497 HydrophobicContact CB-CH2 3.77Å; R191-W497 HydrophobicContact CB-CZ2 4.27Å; R191-W497 HydrophobicContact CB-CZ3 3.68Å; R191-W497 HydrophobicContact CG-CH2 4.36Å; R191-W497 HydrophobicContact CG-CZ2 4.43Å
192K90.6Very high93.5Very high139 Ų13941.7 Ų41.760%0.60422%0.216SC*.SBendtrans-67.6130.8170-170.7174.9-177.5176.20110.1Y190 K495 Q496Y190-K192 PolarHBondContact O-N 3.23Å; K192-K495 WeakPolarHBondContact CD-O 3.14Å; K192-Q496 WeakPolarHBondContact CB-O 3.33Å; K192-Q496 PolarHBondContact N-O 3.44Å
193G84.4Confident93.7Very high59 Ų5943.6 Ų43.661%0.60822%0.224SC*.SBendtrans158.9-103.7-176.200000108.9
194P84.7Confident93.9Very high43 Ų4341.3 Ų41.328%0.27921%0.212SC..SBendtrans-56135.4171.9-21.632.8000112.1E196 N197P194-E196 PolarHBondContact O-N 3.39Å; P194-N197 PolarHBondContact O-N 3Å
195E89.1Confident94.1Very high139 Ų13944 Ų4465%0.6522%0.223SC*.Hα-helixtrans-64.5-29.1176-67-173.8176.400111.4N197 A198 K199E195-N197 PolarHBondContact O-N 3.33Å; E195-A198 PolarHBondContact O-N 2.83Å; E195-A198 VanDerWaalsContact O-N 3.12Å; E195-K199 PolarHBondContact O-N 2.99Å; E195-K199 VanDerWaalsContact O-N 3.09Å; E195-K199 IonicContact OE2-NZ 2.58Å
196E91.8Very high94.2Very high40 Ų4045.1 Ų45.119%0.18723%0.231CC..Hα-helixtrans-57-34.8177.3-70.377-169.600112.5F155 R164 M168 P194 K199 L200F155-E196 HydrophobicContact CE1-CB 4.16Å; F155-E196 HydrophobicContact CE2-CB 3.7Å; F155-E196 HydrophobicContact CZ-CB 3.43Å; F155-E196 VanDerWaalsContact CZ-CB 3.43Å; F155-E196 HydrophobicContact CZ-CG 4.42Å; R164-E196 IonicContact CZ-OE1 2.89Å; R164-E196 IonicContact NH1-OE1 3.34Å; R164-E196 PolarHBondContact NH1-OE1 2.88Å; R164-E196 IonicContact NH2-OE1 3.75Å; R164-E196 PolarHBondContact NH2-OE1 3.45Å; M168-E196 HydrophobicContact CE-CB 3.55Å; M168-E196 HydrophobicContact CE-CG 3.78Å; P194-E196 PolarHBondContact O-N 3.39Å; E196-K199 PolarHBondContact O-N 3.47Å; E196-L200 WeakPolarHBondContact O-CB 3.3Å; E196-L200 PolarHBondContact O-N 3.44Å
197N94.1Very high94.2Very high0 Ų047.5 Ų47.50%024%0.239CC..Hα-helixtrans-64.7-41.8176.8-70.9-3.1000111.6Y190 R191 P194 E195 A201 D233Y190-N197 HydrophobicContact CD2-CB 4.22Å; R191-N197 PolarHBondContact O-ND2 2.72Å; P194-N197 PolarHBondContact O-N 3Å; E195-N197 PolarHBondContact O-N 3.33Å; N197-A201 VanDerWaalsContact O-CB 3.29Å; N197-A201 WeakPolarHBondContact O-CB 3.36Å; N197-A201 PolarHBondContact O-N 3.49Å; N197-D233 PolarHBondContact ND2-OD1 3.17Å
198A95.4Very high94.2Very high28 Ų2846.5 Ų46.523%0.23123%0.23CC..Hα-helixtrans-68.9-39.9178.700000111.1Y190 E195 A201 E202Y190-A198 HydrophobicContact CD2-CB 4.09Å; Y190-A198 HydrophobicContact CE1-CB 4.48Å; Y190-A198 HydrophobicContact CE2-CB 3.57Å; E195-A198 PolarHBondContact O-N 2.83Å; E195-A198 VanDerWaalsContact O-N 3.12Å; A198-A201 PolarHBondContact O-N 3.49Å; A198-E202 PolarHBondContact O-N 3.44Å
199K95.3Very high94.1Very high98 Ų9848.9 Ų48.943%0.42624%0.243SC..Hα-helixtrans-61.5-48.6175.5-69.5175.8-174.4167.70111.6M168 E195 E196 A201 E202 E203M168-K199 HydrophobicContact SD-CB 4.43Å; E195-K199 PolarHBondContact O-N 2.99Å; E195-K199 VanDerWaalsContact O-N 3.09Å; E195-K199 IonicContact OE2-NZ 2.58Å; E196-K199 PolarHBondContact O-N 3.47Å; K199-A201 VanDerWaalsContact C-N 3.3Å; K199-A201 PolarHBondContact O-N 3.05Å; K199-E202 PolarHBondContact O-N 2.99Å; K199-E203 PolarHBondContact O-N 3.06Å
200L96.1Very high94Very high3 Ų351.2 Ų51.22%0.01626%0.263CS..Hα-helixtrans-61-40.7176.7178.559.7000111.7M168 V171 E196 E203 I204 I231 F539 V541M168-L200 HydrophobicContact CB-CD1 4.05Å; M168-L200 HydrophobicContact CG-CB 4.47Å; M168-L200 HydrophobicContact CG-CD1 4.25Å; V171-L200 HydrophobicContact CB-CD1 4.27Å; V171-L200 HydrophobicContact CG1-CD1 3.93Å; V171-L200 HydrophobicContact CG1-CD2 4.35Å; E196-L200 WeakPolarHBondContact O-CB 3.3Å; E196-L200 PolarHBondContact O-N 3.44Å; L200-E203 PolarHBondContact O-N 3.43Å; L200-I204 HydrophobicContact CD1-CD1 4.02Å; L200-I204 HydrophobicContact CD1-CG1 4.3Å; L200-I204 HydrophobicContact CG-CD1 3.84Å; L200-I204 WeakPolarHBondContact O-CD1 3.45Å; L200-I204 VanDerWaalsContact O-CG1 3.29Å; L200-I204 WeakPolarHBondContact O-CG1 3.45Å; L200-I204 PolarHBondContact O-N 3.38Å; L200-I231 HydrophobicContact CD2-CG2 4.08Å; L200-F539 HydrophobicContact CD2-CD1 4.48Å; L200-F539 HydrophobicContact CD2-CE1 4.19Å; L200-V541 HydrophobicContact CD2-CG2 3.66Å
201A97.1Very high93.9Very high0 Ų049.7 Ų49.70%026%0.257CS..Hα-helixtrans-63.2-40177.500000113.1I188 Y190 N197 A198 K199 Y205 I231 I500I188-A201 HydrophobicContact CG2-CB 4.1Å; Y190-A201 HydrophobicContact CD1-CB 3.91Å; Y190-A201 HydrophobicContact CG-CB 4.14Å; N197-A201 VanDerWaalsContact O-CB 3.29Å; N197-A201 WeakPolarHBondContact O-CB 3.36Å; N197-A201 PolarHBondContact O-N 3.49Å; A198-A201 PolarHBondContact O-N 3.49Å; K199-A201 VanDerWaalsContact C-N 3.3Å; K199-A201 PolarHBondContact O-N 3.05Å; A201-Y205 WeakPolarHBondContact O-CB 3.32Å; A201-Y205 PolarHBondContact O-N 3Å; A201-I231 HydrophobicContact CB-CD1 3.44Å; A201-I231 VanDerWaalsContact CB-CD1 3.44Å; A201-I500 HydrophobicContact CB-CD1 3.68Å; A201-I500 HydrophobicContact CB-CG1 3.65Å
202E96.8Very high93.8Very high76 Ų7650.4 Ų50.436%0.35526%0.261SS..Hα-helixtrans-66.1-43.1174.3-174.160.5-146.500111.3A198 K199 I204 Y205 Q206 I500A198-E202 PolarHBondContact O-N 3.44Å; K199-E202 PolarHBondContact O-N 2.99Å; E202-I204 PolarHBondContact O-N 3.44Å; E202-Y205 WeakPolarHBondContact O-CB 3.31Å; E202-Y205 PolarHBondContact O-N 3.45Å; E202-Y205 VanDerWaalsContact O-N 3.12Å; E202-Q206 WeakPolarHBondContact O-CG 3.4Å; E202-Q206 PolarHBondContact O-N 3.3Å; E202-I500 WeakPolarHBondContact OE2-CG2 3.21Å
203E96.9Very high94Very high50 Ų5047.4 Ų47.423%0.23426%0.262CS..Hα-helixtrans-61.9-44.4178-151.465.3-154.400111.3E169 A172 K199 L200 Y205 Q206 R207E169-E203 HydrophobicContact CG-CG 4.36Å; A172-E203 HydrophobicContact CB-CB 3.92Å; A172-E203 HydrophobicContact CB-CG 3.82Å; K199-E203 PolarHBondContact O-N 3.06Å; L200-E203 PolarHBondContact O-N 3.43Å; E203-Y205 VanDerWaalsContact C-N 3.31Å; E203-Y205 PolarHBondContact O-N 3.17Å; E203-Q206 PolarHBondContact O-N 3.42Å; E203-R207 WeakPolarHBondContact O-CG 3.4Å; E203-R207 PolarHBondContact O-N 3.31Å; E203-R207 VanDerWaalsContact O-N 3.09Å; E203-R207 IonicContact OE1-NH2 3.85Å
204I97.5Very high94.3Very high0 Ų051.3 Ų51.30%027%0.269CS..Hα-helixtrans-61.2-41.8173.5-68.1158.2000110.7A172 I175 I188 L200 E202 Q206 R207 L208 L229 I231A172-I204 HydrophobicContact CB-CG1 3.82Å; I175-I204 HydrophobicContact CB-CG1 4.49Å; I175-I204 HydrophobicContact CD1-CD1 3.66Å; I175-I204 HydrophobicContact CD1-CG1 4.24Å; I175-I204 HydrophobicContact CG2-CD1 4.46Å; I175-I204 HydrophobicContact CG2-CG1 4.48Å; I175-I204 HydrophobicContact CG2-CG2 3.99Å; I188-I204 HydrophobicContact CD1-CB 4.5Å; I188-I204 HydrophobicContact CD1-CG2 4.01Å; L200-I204 HydrophobicContact CD1-CD1 4.02Å; L200-I204 HydrophobicContact CD1-CG1 4.3Å; L200-I204 HydrophobicContact CG-CD1 3.84Å; L200-I204 WeakPolarHBondContact O-CD1 3.45Å; L200-I204 VanDerWaalsContact O-CG1 3.29Å; L200-I204 WeakPolarHBondContact O-CG1 3.45Å; L200-I204 PolarHBondContact O-N 3.38Å; E202-I204 PolarHBondContact O-N 3.44Å; I204-Q206 VanDerWaalsContact C-N 3.32Å; I204-Q206 PolarHBondContact O-N 3.15Å; I204-R207 PolarHBondContact O-N 2.9Å; I204-L208 HydrophobicContact CG2-CD1 3.8Å; I204-L208 HydrophobicContact CG2-CG 4.18Å; I204-L208 WeakPolarHBondContact O-CB 3.16Å; I204-L208 WeakPolarHBondContact O-CG 3.48Å; I204-L208 PolarHBondContact O-N 2.74Å; I204-L229 HydrophobicContact CG2-CD2 3.77Å; I204-I231 HydrophobicContact CD1-CD1 3.49Å; I204-I231 VanDerWaalsContact CD1-CD1 3.49Å; I204-I231 HydrophobicContact CD1-CG1 4.15Å
205Y96.7Very high94.6Very high57 Ų5751.2 Ų51.222%0.22427%0.266CS..Hα-helixtrans-59.4-43.9177.9-174.1-118.7000111.8I188 A201 E202 E203 L208 N209 I500I188-Y205 VanDerWaalsContact CD1-CA 3.49Å; I188-Y205 HydrophobicContact CD1-CD2 3.82Å; I188-Y205 HydrophobicContact CD1-CG 4.22Å; A201-Y205 WeakPolarHBondContact O-CB 3.32Å; A201-Y205 PolarHBondContact O-N 3Å; E202-Y205 WeakPolarHBondContact O-CB 3.31Å; E202-Y205 PolarHBondContact O-N 3.45Å; E202-Y205 VanDerWaalsContact O-N 3.12Å; E203-Y205 VanDerWaalsContact C-N 3.31Å; E203-Y205 PolarHBondContact O-N 3.17Å; Y205-L208 PolarHBondContact O-N 3.2Å; Y205-N209 WeakPolarHBondContact CE1-ND2 3.46Å; Y205-N209 PolarHBondContact O-N 3.34Å; Y205-N209 PolarHBondContact O-ND2 3.48Å; Y205-I500 HydrophobicContact CD1-CG2 4.02Å; Y205-I500 HydrophobicContact CD2-CG2 4.5Å; Y205-I500 HydrophobicContact CG-CG2 3.94Å
206Q96.1Very high94.7Very high94 Ų9448.4 Ų48.444%0.43926%0.26SS..Hα-helixtrans-63.6-45.1178-68.6176.52200112.2E202 E203 I204 N209 A210E202-Q206 WeakPolarHBondContact O-CG 3.4Å; E202-Q206 PolarHBondContact O-N 3.3Å; E203-Q206 PolarHBondContact O-N 3.42Å; I204-Q206 VanDerWaalsContact C-N 3.32Å; I204-Q206 PolarHBondContact O-N 3.15Å; Q206-N209 WeakPolarHBondContact O-CB 3.41Å; Q206-N209 PolarHBondContact O-N 3.12Å; Q206-A210 PolarHBondContact O-N 2.97Å; Q206-A210 VanDerWaalsContact O-N 3.14Å
207R95.6Very high94.5Very high56 Ų5653.3 Ų53.321%0.21128%0.281CS..Hα-helixtrans-65.1-42.4176.5-59.8-53.8173.669.511.3112E169 A172 E173 A176 E203 I204 N209 A210 H211E169-R207 PolarHBondContact O-NH1 3.48Å; A172-R207 HydrophobicContact CB-CG 4.1Å; E173-R207 VanDerWaalsContact OE2-CD 3.28Å; E173-R207 WeakPolarHBondContact OE2-CD 3.48Å; E173-R207 IonicContact OE2-CZ 3.32Å; E173-R207 IonicContact OE2-NE 3.41Å; E173-R207 IonicContact OE2-NH1 2.7Å; E173-R207 PolarHBondContact OE2-NH1 3.21Å; A176-R207 HydrophobicContact CB-CB 3.7Å; E203-R207 WeakPolarHBondContact O-CG 3.4Å; E203-R207 PolarHBondContact O-N 3.31Å; E203-R207 VanDerWaalsContact O-N 3.09Å; E203-R207 IonicContact OE1-NH2 3.85Å; I204-R207 PolarHBondContact O-N 2.9Å; R207-N209 VanDerWaalsContact C-N 3.28Å; R207-N209 PolarHBondContact O-N 3.39Å; R207-A210 WeakPolarHBondContact O-CB 3.37Å; R207-A210 PolarHBondContact O-N 2.76Å; R207-A210 VanDerWaalsContact O-N 3.14Å; R207-H211 PolarHBondContact O-CD2 3.35Å; R207-H211 VanDerWaalsContact O-CD2 3.25Å; R207-H211 PolarHBondContact O-N 2.75Å
208L95.3Very high94.3Very high1 Ų153.3 Ų53.31%0.00528%0.281CS..Hα-helixtrans-61.3-36.2175.2-75176.3000112.6A176 C179 Y185 I188 I204 Y205 H211 K212A176-L208 HydrophobicContact CB-CD2 4.1Å; A176-L208 HydrophobicContact CB-CG 4.44Å; C179-L208 HydrophobicContact CB-CD2 3.4Å; C179-L208 VanDerWaalsContact CB-CD2 3.4Å; Y185-L208 HydrophobicContact CD2-CB 4.43Å; Y185-L208 HydrophobicContact CE2-CB 4.15Å; I188-L208 HydrophobicContact CD1-CD1 3.87Å; I188-L208 HydrophobicContact CG1-CD1 4.3Å; I204-L208 HydrophobicContact CG2-CD1 3.8Å; I204-L208 HydrophobicContact CG2-CG 4.18Å; I204-L208 WeakPolarHBondContact O-CB 3.16Å; I204-L208 WeakPolarHBondContact O-CG 3.48Å; I204-L208 PolarHBondContact O-N 2.74Å; Y205-L208 PolarHBondContact O-N 3.2Å; L208-H211 PolarHBondContact O-N 2.92Å; L208-K212 WeakPolarHBondContact O-CB 3.34Å; L208-K212 PolarHBondContact O-N 2.74Å
209N95.3Very high93.9Very high54 Ų5452.7 Ų52.729%0.28928%0.278SS..Hα-helixtrans-64.7-40.2174.5-71.9-26.1000112.3Y185 Y205 Q206 R207 K212 A213Y185-N209 PolarHBondContact OH-OD1 3.35Å; Y205-N209 WeakPolarHBondContact CE1-ND2 3.46Å; Y205-N209 PolarHBondContact O-N 3.34Å; Y205-N209 PolarHBondContact O-ND2 3.48Å; Q206-N209 WeakPolarHBondContact O-CB 3.41Å; Q206-N209 PolarHBondContact O-N 3.12Å; R207-N209 VanDerWaalsContact C-N 3.28Å; R207-N209 PolarHBondContact O-N 3.39Å; N209-K212 PolarHBondContact O-N 2.83Å; N209-A213 PolarHBondContact O-N 2.82Å
210A94.6Very high93.4Very high50 Ų5053.8 Ų53.841%0.41328%0.284SS..Hα-helixtrans-62.7-51174.900000111.1Q206 R207 K212 A213 D214Q206-A210 PolarHBondContact O-N 2.97Å; Q206-A210 VanDerWaalsContact O-N 3.14Å; R207-A210 WeakPolarHBondContact O-CB 3.37Å; R207-A210 PolarHBondContact O-N 2.76Å; R207-A210 VanDerWaalsContact O-N 3.14Å; A210-K212 VanDerWaalsContact C-N 3.29Å; A210-K212 PolarHBondContact O-N 2.81Å; A210-A213 WeakPolarHBondContact O-CB 3.36Å; A210-A213 PolarHBondContact O-N 3.06Å; A210-D214 PolarHBondContact O-N 3.33Å; A210-D214 VanDerWaalsContact O-N 3.16Å
211H93.5Very high92.5Very high13 Ų1355.6 Ų55.66%0.0630%0.304CS..Hα-helixtrans-60.2-37.2177.3-80.9-98.9000112.5E173 R207 L208 D214 N215 M218E173-H211 IonicContact OE1-CE1 2.67Å; E173-H211 IonicContact OE1-NE2 2.81Å; E173-H211 PolarHBondContact OE1-NE2 3.46Å; E173-H211 VanDerWaalsContact OE1-NE2 3.1Å; R207-H211 PolarHBondContact O-CD2 3.35Å; R207-H211 VanDerWaalsContact O-CD2 3.25Å; R207-H211 PolarHBondContact O-N 2.75Å; L208-H211 PolarHBondContact O-N 2.92Å; H211-D214 PolarHBondContact O-N 2.73Å; H211-N215 WeakPolarHBondContact O-CB 3.29Å; H211-N215 PolarHBondContact O-N 2.67Å; H211-M218 HydrophobicContact CB-CE 3.68Å; H211-M218 HydrophobicContact CB-SD 4.47Å
212K93.8Very high91.4Very high59 Ų5961.6 Ų61.626%0.25734%0.343SS..Hα-helixtrans-68.8-31.5175.1177.762.4179179.40112.9Y185 L208 N209 A210 N215 P216 M218Y185-K212 HydrophobicContact CD2-CB 3.87Å; Y185-K212 HydrophobicContact CD2-CD 4.29Å; Y185-K212 HydrophobicContact CD2-CG 4.05Å; Y185-K212 HydrophobicContact CE2-CB 3.83Å; Y185-K212 HydrophobicContact CE2-CG 4.05Å; L208-K212 WeakPolarHBondContact O-CB 3.34Å; L208-K212 PolarHBondContact O-N 2.74Å; N209-K212 PolarHBondContact O-N 2.83Å; A210-K212 VanDerWaalsContact C-N 3.29Å; A210-K212 PolarHBondContact O-N 2.81Å; K212-N215 CarbonylContact O-C 3.45Å; K212-P216 PolarHBondContact NZ-O 3.18Å; K212-M218 HydrophobicContact CB-SD 4.4Å; K212-M218 HydrophobicContact CD-CB 3.85Å; K212-M218 WeakPolarHBondContact CD-O 3.45Å; K212-M218 WeakPolarHBondContact CE-O 3.28Å; K212-M218 PolarHBondContact NZ-O 3.46Å
213A94.3Very high90.6Very high75 Ų7560.6 Ų60.662%0.6234%0.34SS*.Hα-helixtrans-66.9-40.5174.900000111.1N209 A210N209-A213 PolarHBondContact O-N 2.82Å; A210-A213 WeakPolarHBondContact O-CB 3.36Å; A210-A213 PolarHBondContact O-N 3.06Å
214D90.5Very high89.9Confident142 Ų14260 Ų6076%0.75934%0.337SS*.Hα-helixtrans-77.6-32.7178.2-65.1-28.2000112.8A210 H211 P216A210-D214 PolarHBondContact O-N 3.33Å; A210-D214 VanDerWaalsContact O-N 3.16Å; H211-D214 PolarHBondContact O-N 2.73Å; D214-P216 WeakPolarHBondContact O-CD 3.37Å
215N90.2Very high89.1Confident41 Ų4162.6 Ų62.622%0.21936%0.363CS..  trans-120.884175.7-179.710.8000111.6D180 N183 H211 K212 K217 M218D180-N215 PolarHBondContact OD1-ND2 3.34Å; N183-N215 PolarHBondContact OD1-ND2 3.5Å; H211-N215 WeakPolarHBondContact O-CB 3.29Å; H211-N215 PolarHBondContact O-N 2.67Å; K212-N215 CarbonylContact O-C 3.45Å; N215-K217 PolarHBondContact O-N 3.1Å; N215-K217 PolarHBondContact OD1-N 2.69Å; N215-M218 VanDerWaalsContact O-CB 3.26Å; N215-M218 WeakPolarHBondContact O-CB 3.47Å; N215-M218 PolarHBondContact O-N 3Å
216P91.1Very high88.7Confident80 Ų8064.8 Ų64.852%0.51937%0.371SS..THydrogen-bonded Turntrans-59.8-18.7179.4-27.335.6000114.6K212 D214 M218K212-P216 PolarHBondContact NZ-O 3.18Å; D214-P216 WeakPolarHBondContact O-CD 3.37Å; P216-M218 VanDerWaalsContact C-N 3.26Å; P216-M218 PolarHBondContact O-N 3.2Å
217K88.4Confident88.6Confident142 Ų14260.4 Ų60.462%0.61735%0.35SS*.THydrogen-bonded Turntrans-78.3-8.7177.9-60.8-177.8-178.7176.90113.6N183 N215 G219 E220N183-K217 PolarHBondContact ND2-O 2.66Å; N183-K217 PolarHBondContact OD1-O 3.4Å; N215-K217 PolarHBondContact O-N 3.1Å; N215-K217 PolarHBondContact OD1-N 2.69Å; K217-G219 PolarHBondContact O-N 2.67Å; K217-E220 WeakPolarHBondContact O-CB 3.34Å; K217-E220 PolarHBondContact O-N 3.16Å
218M90.2Very high88.6Confident0 Ų058.5 Ų58.50%034%0.344CS..THydrogen-bonded Turntrans-61.8122.7-178.7-174.6-173.2-70.900111.5D180 N183 E184 Y185 H211 K212 N215 P216 E220D180-M218 VanDerWaalsContact CA-CE 3.45Å; D180-M218 HydrophobicContact CB-CE 3.56Å; D180-M218 WeakPolarHBondContact OD1-CE 3.44Å; N183-M218 VanDerWaalsContact OD1-CA 3.23Å; N183-M218 WeakPolarHBondContact OD1-CA 3.37Å; N183-M218 PolarHBondContact OD1-N 3.3Å; E184-M218 WeakPolarHBondContact O-CG 3.24Å; E184-M218 VanDerWaalsContact O-SD 3.34Å; Y185-M218 HydrophobicContact CD2-SD 4.21Å; H211-M218 HydrophobicContact CB-CE 3.68Å; H211-M218 HydrophobicContact CB-SD 4.47Å; K212-M218 HydrophobicContact CB-SD 4.4Å; K212-M218 HydrophobicContact CD-CB 3.85Å; K212-M218 WeakPolarHBondContact CD-O 3.45Å; K212-M218 WeakPolarHBondContact CE-O 3.28Å; K212-M218 PolarHBondContact NZ-O 3.46Å; N215-M218 VanDerWaalsContact O-CB 3.26Å; N215-M218 WeakPolarHBondContact O-CB 3.47Å; N215-M218 PolarHBondContact O-N 3Å; P216-M218 VanDerWaalsContact C-N 3.26Å; P216-M218 PolarHBondContact O-N 3.2Å; M218-E220 VanDerWaalsContact C-N 3.27Å; M218-E220 PolarHBondContact O-N 3.12Å
219G86.2Confident88.7Confident16 Ų1658.4 Ų58.417%0.16534%0.343CS..THydrogen-bonded Turntrans75.87.4-176.500000115.1N183 K217N183-G219 PolarHBondContact O-N 3.15Å; K217-G219 PolarHBondContact O-N 2.67Å
220E84.3Confident88.8Confident120 Ų12055.9 Ų55.956%0.56133%0.33SS*.  trans-77.2124.6170.3-68.3-170.9168.100110.9K217 M218 K224K217-E220 WeakPolarHBondContact O-CB 3.34Å; K217-E220 PolarHBondContact O-N 3.16Å; M218-E220 VanDerWaalsContact C-N 3.27Å; M218-E220 PolarHBondContact O-N 3.12Å; E220-K224 WeakPolarHBondContact O-CD 3.42Å
221G78.6Confident89Confident42 Ų4253.5 Ų53.543%0.43331%0.31SS..SBendtrans152.8156.8176.600000111.7D223 K224G221-D223 PolarHBondContact O-N 3.04Å; G221-K224 PolarHBondContact O-N 3.3Å
222P72.7Confident89.1Confident126 Ų12652.9 Ų52.982%0.81831%0.307SS*.THydrogen-bonded Turntrans-61.5-31-175.624.9-34000112.9
223D80.8Confident89.1Confident54 Ų5450.2 Ų50.229%0.28930%0.296SS..THydrogen-bonded Turntrans-99.2-28.7-175.5-68.6-46.1000113G221 G225 R226 P534G221-D223 PolarHBondContact O-N 3.04Å; D223-G225 VanDerWaalsContact C-N 3.32Å; D223-G225 PolarHBondContact O-N 2.92Å; D223-R226 PolarHBondContact O-N 2.84Å; D223-P534 WeakPolarHBondContact O-CB 2.94Å
224K81.4Confident89Confident39 Ų3946.7 Ų46.717%0.1727%0.266CS..G310 helixtrans-68.7-26.2-174.9-70.3177.7168.6-77.60113.9L182 N183 E184 E220 G221 R226 S227L182-K224 PolarHBondContact O-NZ 2.88Å; N183-K224 WeakPolarHBondContact O-CD 3.49Å; N183-K224 WeakPolarHBondContact O-CE 3.39Å; N183-K224 PolarHBondContact O-NZ 3.5Å; E184-K224 VanDerWaalsContact CD-NZ 3.31Å; E184-K224 IonicContact OE1-NZ 3.84Å; E184-K224 PolarHBondContact OE1-NZ 2.81Å; E184-K224 IonicContact OE2-NZ 2.74Å; E220-K224 WeakPolarHBondContact O-CD 3.42Å; G221-K224 PolarHBondContact O-N 3.3Å; K224-R226 PolarHBondContact O-N 2.88Å; K224-R226 VanDerWaalsContact O-N 3.1Å; K224-S227 WeakPolarHBondContact O-CB 3.44Å; K224-S227 PolarHBondContact O-N 2.99Å; K224-S227 VanDerWaalsContact O-N 3.12Å; K224-S227 PolarHBondContact O-OG 3.46Å
225G80.8Confident89.1Confident53 Ų5340.2 Ų40.255%0.54623%0.233SC..G310 helixtrans-65-10.2174.800000114.6D223D223-G225 VanDerWaalsContact C-N 3.32Å; D223-G225 PolarHBondContact O-N 2.92Å
226R88.8Confident89.1Confident104 Ų10438.6 Ų38.639%0.39222%0.224SC..G310 helixtrans-103.6-3.1177-68.5173.465.2-156.31.8113.3D223 K224 I506 P534 W563D223-R226 PolarHBondContact O-N 2.84Å; K224-R226 PolarHBondContact O-N 2.88Å; K224-R226 VanDerWaalsContact O-N 3.1Å; R226-I506 HydrophobicContact CG-CD1 3.79Å; R226-P534 HydrophobicContact CB-CB 3.78Å; R226-P534 HydrophobicContact CB-CG 4.4Å; R226-W563 HydrophobicContact CB-CH2 4.39Å; R226-W563 VanDerWaalsContact O-CH2 3.3Å; R226-W563 WeakPolarHBondContact O-CH2 3.44Å
227S93.8Very high89.2Confident2 Ų234.8 Ų34.81%0.01420%0.2CC..  trans-62.4142.9-179.2-640000111E184 P186 A187 K224 R535E184-S227 WeakPolarHBondContact OE2-CB 3.14Å; E184-S227 PolarHBondContact OE2-OG 3.25Å; P186-S227 WeakPolarHBondContact CA-O 3.42Å; A187-S227 PolarHBondContact N-O 2.9Å; K224-S227 WeakPolarHBondContact O-CB 3.44Å; K224-S227 PolarHBondContact O-N 2.99Å; K224-S227 VanDerWaalsContact O-N 3.12Å; K224-S227 PolarHBondContact O-OG 3.46Å; S227-R535 CarbonylContact C-O 3.58Å; S227-R535 WeakPolarHBondContact CA-O 3.19Å; S227-R535 WeakPolarHBondContact CB-O 3.47Å; S227-R535 PolarHBondContact OG-N 2.98Å; S227-R535 VanDerWaalsContact OG-N 3.15Å
228Q95.9Very high89.5Confident15 Ų1528 Ų287%0.0717%0.17CC..EExtended strand (participates in β ladder)trans-129144.7-179.2-73.9177.875.200110.2A187 R189 A487 R535 L536 I537A187-Q228 HydrophobicContact CB-CG 4.48Å; A187-Q228 WeakPolarHBondContact O-CA 3.38Å; R189-Q228 VanDerWaalsContact CD-OE1 3.29Å; Q228-A487 PolarHBondContact NE2-O 2.82Å; Q228-R535 PolarHBondContact N-O 3.21Å; Q228-L536 HydrophobicContact CB-CD1 3.83Å; Q228-I537 PolarHBondContact O-N 2.89Å
229L97.8Very high89.8Confident0 Ų028.7 Ų28.70%017%0.174CC..EExtended strand (participates in β ladder)trans-117118.5171.2171.561.7000108.5I175 P186 A187 I188 R189 I204 I537 F539I175-L229 HydrophobicContact CG2-CD2 3.79Å; P186-L229 HydrophobicContact CB-CB 3.97Å; P186-L229 HydrophobicContact CG-CB 3.71Å; A187-L229 PolarHBondContact O-N 3.14Å; I188-L229 WeakPolarHBondContact CA-O 3.42Å; I188-L229 HydrophobicContact CG1-CD2 4.36Å; R189-L229 PolarHBondContact N-O 3.03Å; I204-L229 HydrophobicContact CG2-CD2 3.77Å; L229-I537 CarbonylContact C-O 3.51Å; L229-I537 VanDerWaalsContact CA-O 3.3Å; L229-I537 WeakPolarHBondContact CA-O 3.31Å; L229-I537 HydrophobicContact CD1-CB 3.73Å; L229-I537 HydrophobicContact CD1-CG2 3.53Å; L229-F539 HydrophobicContact CD1-CB 4.5Å
230L97.9Very high90.3Very high0 Ų028 Ų280%017%0.167CC..EExtended strand (participates in β ladder)trans-104.5127.1178.5-55.8-173.9000110.5R189 I483 A487 L492 L536 I537 V538 F539R189-L230 HydrophobicContact CB-CD2 3.69Å; R189-L230 HydrophobicContact CG-CD2 4.15Å; R189-L230 CarbonylContact O-C 3.59Å; R189-L230 WeakPolarHBondContact O-CA 3.48Å; L230-I483 HydrophobicContact CD1-CG2 3.73Å; L230-A487 HydrophobicContact CD1-CB 3.99Å; L230-L492 HydrophobicContact CD1-CD2 4.28Å; L230-L492 HydrophobicContact CD2-CD2 4.22Å; L230-L536 HydrophobicContact CD1-CD1 3.88Å; L230-L536 HydrophobicContact CG-CD1 3.83Å; L230-I537 PolarHBondContact N-O 3.29Å; L230-V538 HydrophobicContact CB-CG2 4.45Å; L230-V538 HydrophobicContact CD1-CG2 4.35Å; L230-F539 PolarHBondContact O-N 3.08Å
231I97.9Very high90.9Very high0 Ų022.4 Ų22.40%014%0.14CC..EExtended strand (participates in β ladder)trans-104.3123.4173.8-60.3161.4000109.1I188 R189 Y190 R191 L200 A201 I204 V541I188-I231 HydrophobicContact CG2-CD1 3.94Å; R189-I231 PolarHBondContact O-N 3.28Å; Y190-I231 WeakPolarHBondContact CA-O 3.47Å; R191-I231 PolarHBondContact N-O 3.3Å; L200-I231 HydrophobicContact CD2-CG2 4.08Å; A201-I231 HydrophobicContact CB-CD1 3.44Å; A201-I231 VanDerWaalsContact CB-CD1 3.44Å; I204-I231 HydrophobicContact CD1-CD1 3.49Å; I204-I231 VanDerWaalsContact CD1-CD1 3.49Å; I204-I231 HydrophobicContact CD1-CG1 4.15Å; I231-V541 HydrophobicContact CG2-CG2 4.3Å
232V95.6Very high91.8Very high1 Ų120.4 Ų20.41%0.00612%0.12CC..EExtended strand (participates in β ladder)trans-127.6132.6-174.6-1670000109.3F236 I480 W497 V538 F539 V540 V541V232-F236 HydrophobicContact CG1-CB 3.61Å; V232-F236 HydrophobicContact CG1-CD1 3.78Å; V232-F236 HydrophobicContact CG1-CG 3.8Å; V232-I480 HydrophobicContact CB-CD1 4.47Å; V232-I480 HydrophobicContact CG1-CD1 4.26Å; V232-I480 HydrophobicContact CG2-CD1 3.9Å; V232-W497 HydrophobicContact CB-CH2 4.44Å; V232-W497 HydrophobicContact CG1-CH2 4.14Å; V232-W497 HydrophobicContact CG2-CH2 3.73Å; V232-W497 HydrophobicContact CG2-CZ3 3.84Å; V232-V538 HydrophobicContact CG2-CG1 4.17Å; V232-F539 PolarHBondContact N-O 3.44Å; V232-V540 HydrophobicContact CB-CG2 4.45Å; V232-V540 CarbonylContact O-C 3.55Å; V232-V540 VanDerWaalsContact O-CA 3.31Å; V232-V540 WeakPolarHBondContact O-CA 3.4Å; V232-V541 PolarHBondContact O-N 2.77Å
233D93.6Very high93Very high2 Ų214.5 Ų14.51%0.0118%0.081CC..EExtended strand (participates in β ladder)trans-87.8150.3170.365.5-77.1000111.3Y156 R191 N197 G235 F236Y156-D233 WeakPolarHBondContact OH-CB 3.45Å; R191-D233 WeakPolarHBondContact CD-OD1 3.41Å; R191-D233 IonicContact CZ-OD1 3.4Å; R191-D233 IonicContact NE-OD1 3.7Å; R191-D233 IonicContact NH1-OD1 2.79Å; R191-D233 PolarHBondContact NH1-OD1 2.95Å; R191-D233 IonicContact NH1-OD2 3.85Å; R191-D233 PolarHBondContact NH1-OD2 3.33Å; N197-D233 PolarHBondContact ND2-OD1 3.17Å; D233-G235 PolarHBondContact O-N 2.78Å; D233-G235 VanDerWaalsContact O-N 3.11Å; D233-G235 WeakPolarHBondContact OD2-CA 3.29Å; D233-G235 PolarHBondContact OD2-N 3.05Å; D233-F236 WeakPolarHBondContact O-CB 3.5Å; D233-F236 PolarHBondContact O-N 2.78Å
234R93.4Very high93.8Very high1 Ų112.2 Ų12.20%0.0047%0.069CC..G310 helixtrans-57.2-28.5-178.5-166.661.2-79.9165.70.1114.2Y156 F236 D237 V541 G542 G543 E548 F578Y156-R234 HydrophobicContact CE2-CB 4.26Å; Y156-R234 WeakPolarHBondContact OH-CB 3.39Å; Y156-R234 PolarHBondContact OH-N 3.3Å; R234-F236 PolarHBondContact O-N 3.07Å; R234-F236 VanDerWaalsContact O-N 3.1Å; R234-D237 PolarHBondContact NE-O 3.5Å; R234-D237 PolarHBondContact NH2-O 3Å; R234-D237 CarbonylContact O-C 3.54Å; R234-D237 PolarHBondContact O-N 2.99Å; R234-V541 WeakPolarHBondContact CB-O 3.49Å; R234-V541 PolarHBondContact N-O 3.47Å; R234-V541 VanDerWaalsContact N-O 3.08Å; R234-G542 WeakPolarHBondContact CD-O 3.26Å; R234-G543 WeakPolarHBondContact CD-O 3.42Å; R234-G543 PolarHBondContact NH1-O 2.67Å; R234-E548 IonicContact CZ-OE1 3.72Å; R234-E548 IonicContact CZ-OE2 2.79Å; R234-E548 IonicContact NH1-OE1 3.13Å; R234-E548 PolarHBondContact NH1-OE1 3.3Å; R234-E548 IonicContact NH1-OE2 3.72Å; R234-E548 PolarHBondContact NH1-OE2 3.45Å; R234-E548 IonicContact NH2-OE1 3.41Å; R234-E548 PolarHBondContact NH2-OE1 3.07Å; R234-E548 IonicContact NH2-OE2 2.69Å; R234-F578 HydrophobicContact CG-CE2 3.73Å; R234-F578 HydrophobicContact CG-CZ 4.13Å
235G90.8Very high94.5Very high6 Ų611.1 Ų11.16%0.0626%0.064CC..G310 helixtrans-63.8-8.1174.700000114.7D233 I445D233-G235 PolarHBondContact O-N 2.78Å; D233-G235 VanDerWaalsContact O-N 3.11Å; D233-G235 WeakPolarHBondContact OD2-CA 3.29Å; D233-G235 PolarHBondContact OD2-N 3.05Å; G235-I445 VanDerWaalsContact CA-O 3.22Å; G235-I445 WeakPolarHBondContact CA-O 3.36Å
236F91.1Very high95.2Very high7 Ų79 Ų93%0.0314%0.04CC..G310 helixtrans-68.6-42.9174.8177.8-109.9000112.3R191 V232 D233 R234 P461 T479 I483 W497R191-F236 VanDerWaalsContact CZ-CA 3.45Å; R191-F236 VanDerWaalsContact NH1-CB 3.3Å; V232-F236 HydrophobicContact CG1-CB 3.61Å; V232-F236 HydrophobicContact CG1-CD1 3.78Å; V232-F236 HydrophobicContact CG1-CG 3.8Å; D233-F236 WeakPolarHBondContact O-CB 3.5Å; D233-F236 PolarHBondContact O-N 2.78Å; R234-F236 PolarHBondContact O-N 3.07Å; R234-F236 VanDerWaalsContact O-N 3.1Å; F236-P461 HydrophobicContact CD2-CG 3.99Å; F236-P461 HydrophobicContact CE2-CB 3.86Å; F236-P461 HydrophobicContact CE2-CG 3.58Å; F236-P461 HydrophobicContact CZ-CB 4.35Å; F236-P461 HydrophobicContact CZ-CG 3.95Å; F236-P461 WeakPolarHBondContact O-CD 3.46Å; F236-T479 HydrophobicContact CE1-CG2 3.56Å; F236-T479 HydrophobicContact CE2-CG2 4.41Å; F236-T479 HydrophobicContact CZ-CG2 3.46Å; F236-T479 VanDerWaalsContact CZ-CG2 3.46Å; F236-I483 HydrophobicContact CE1-CD1 4.45Å; F236-I483 HydrophobicContact CE1-CG1 3.66Å; F236-I483 HydrophobicContact CE2-CD1 4.34Å; F236-I483 HydrophobicContact CE2-CG1 4.37Å; F236-I483 HydrophobicContact CZ-CD1 3.66Å; F236-I483 HydrophobicContact CZ-CG1 3.36Å; F236-W497 HydrophobicContact CD2-CZ2 4.35Å; F236-W497 AromaticContact CE2-CZ2 3.91Å; F236-W497 HydrophobicContact CE2-CZ2 3.91Å; F236-W497 HydrophobicContact CZ-CZ2 4.15Å
237D94.1Very high95.7Very high1 Ų14.6 Ų4.61%0.0053%0.025CC..  trans-140.588.6179.1-173.9-12.5000108.9R234 I239 S240 P241 T479R234-D237 PolarHBondContact NE-O 3.5Å; R234-D237 PolarHBondContact NH2-O 3Å; R234-D237 CarbonylContact O-C 3.54Å; R234-D237 PolarHBondContact O-N 2.99Å; D237-I239 VanDerWaalsContact C-N 3.26Å; D237-I239 PolarHBondContact OD1-N 3.36Å; D237-S240 PolarHBondContact OD1-N 3.37Å; D237-S240 PolarHBondContact OD1-OG 3.11Å; D237-S240 PolarHBondContact OD2-OG 2.95Å; D237-P241 WeakPolarHBondContact O-CD 3.41Å; D237-T479 VanDerWaalsContact OD2-CB 3.29Å; D237-T479 WeakPolarHBondContact OD2-CB 3.36Å; D237-T479 PolarHBondContact OD2-N 3.4Å; D237-T479 PolarHBondContact OD2-OG1 3.28Å
238P94.7Very high95.9Very high0 Ų04.5 Ų4.50%02%0.024CC..SBendtrans-82.5-4.2174.436.4-38.3000112.6F411 I442 I445 L460P238-F411 HydrophobicContact CB-CE1 4.44Å; P238-F411 HydrophobicContact CB-CE2 3.92Å; P238-F411 HydrophobicContact CB-CZ 3.64Å; P238-F411 HydrophobicContact CG-CD2 4.42Å; P238-F411 HydrophobicContact CG-CE1 3.98Å; P238-F411 HydrophobicContact CG-CE2 3.84Å; P238-F411 HydrophobicContact CG-CZ 3.58Å; P238-I442 HydrophobicContact CB-CD1 4.3Å; P238-I445 HydrophobicContact CB-CD1 4.21Å; P238-L460 HydrophobicContact CG-CD1 4.35Å; P238-L460 HydrophobicContact CG-CD2 3.74Å
239I96.1Very high96Very high14 Ų143.9 Ų3.97%0.0722%0.022CC..SBendtrans-86.1-48.9-174.7-68.1171.1000110.2D237 P241 V242 L243 V371 L408 F411 L460 W476D237-I239 VanDerWaalsContact C-N 3.26Å; D237-I239 PolarHBondContact OD1-N 3.36Å; I239-P241 VanDerWaalsContact C-CD 3.49Å; I239-P241 VanDerWaalsContact C-N 3.33Å; I239-V242 WeakPolarHBondContact O-CG2 3.29Å; I239-V242 PolarHBondContact O-N 3.16Å; I239-L243 HydrophobicContact CG2-CD1 3.6Å; I239-L243 HydrophobicContact CG2-CG 4.01Å; I239-L243 PolarHBondContact O-N 2.88Å; I239-V371 HydrophobicContact CG2-CB 4.21Å; I239-V371 HydrophobicContact CG2-CG1 3.56Å; I239-L408 HydrophobicContact CG1-CD2 4.47Å; I239-L408 HydrophobicContact CG2-CD2 3.96Å; I239-F411 HydrophobicContact CD1-CB 4.26Å; I239-F411 HydrophobicContact CD1-CD2 4.48Å; I239-F411 HydrophobicContact CG1-CB 4.32Å; I239-F411 HydrophobicContact CG1-CD2 3.65Å; I239-F411 HydrophobicContact CG1-CE2 4.29Å; I239-F411 HydrophobicContact CG1-CG 4.24Å; I239-L460 HydrophobicContact CD1-CD1 3.73Å; I239-L460 HydrophobicContact CG1-CD1 4.26Å; I239-W476 HydrophobicContact CB-CH2 4.24Å; I239-W476 HydrophobicContact CB-CZ2 3.86Å; I239-W476 HydrophobicContact CD1-CH2 3.85Å; I239-W476 HydrophobicContact CD1-CZ2 4.35Å; I239-W476 HydrophobicContact CD1-CZ3 4.44Å; I239-W476 HydrophobicContact CG2-CD2 4.21Å; I239-W476 HydrophobicContact CG2-CH2 3.98Å; I239-W476 HydrophobicContact CG2-CZ2 3.63Å; I239-W476 HydrophobicContact CG2-CZ3 4.4Å
240S96.9Very high96Very high2 Ų24.3 Ų4.31%0.0143%0.025CC..THydrogen-bonded Turntrans-56.9-36.9-175.9-62.70000114.4D237 V242 W476 P478D237-S240 PolarHBondContact OD1-N 3.37Å; D237-S240 PolarHBondContact OD1-OG 3.11Å; D237-S240 PolarHBondContact OD2-OG 2.95Å; S240-V242 VanDerWaalsContact C-N 3.34Å; S240-V242 PolarHBondContact O-N 3.17Å; S240-W476 PolarHBondContact OG-NE1 2.85Å; S240-P478 WeakPolarHBondContact OG-CA 3.46Å; S240-P478 WeakPolarHBondContact OG-CB 3.34Å
241P97.1Very high96Very high1 Ų14.3 Ų4.31%0.0063%0.025CC..THydrogen-bonded Turntrans-73.7-16.7176.4-20.734.8000115.3D237 I239 L573 P575 F578D237-P241 WeakPolarHBondContact O-CD 3.41Å; I239-P241 VanDerWaalsContact C-CD 3.49Å; I239-P241 VanDerWaalsContact C-N 3.33Å; P241-L573 HydrophobicContact CB-CD1 4.1Å; P241-L573 HydrophobicContact CG-CD1 4.29Å; P241-P575 VanDerWaalsContact O-CA 3.29Å; P241-P575 WeakPolarHBondContact O-CA 3.39Å; P241-P575 WeakPolarHBondContact O-CB 3.48Å; P241-P575 WeakPolarHBondContact O-CG 3.4Å; P241-F578 HydrophobicContact CB-CB 4.46Å; P241-F578 HydrophobicContact CB-CD1 3.76Å; P241-F578 HydrophobicContact CB-CE1 4.09Å; P241-F578 HydrophobicContact CB-CG 4.01Å
242V97.4Very high96Very high0 Ų04.3 Ų4.30%03%0.025CC..THydrogen-bonded Turntrans-102.9-10.5-177.2-60.10000113.6I239 S240 R404 L407 L408 F578 L579I239-V242 WeakPolarHBondContact O-CG2 3.29Å; I239-V242 PolarHBondContact O-N 3.16Å; S240-V242 VanDerWaalsContact C-N 3.34Å; S240-V242 PolarHBondContact O-N 3.17Å; V242-R404 HydrophobicContact CB-CG 4.32Å; V242-R404 PolarHBondContact O-NE 2.85Å; V242-R404 PolarHBondContact O-NH2 3.38Å; V242-L407 HydrophobicContact CG1-CD1 4.33Å; V242-L408 HydrophobicContact CG2-CD2 3.6Å; V242-L408 HydrophobicContact CG2-CG 4.23Å; V242-F578 HydrophobicContact CG1-CD1 3.77Å; V242-F578 HydrophobicContact CG1-CE1 3.81Å; V242-L579 HydrophobicContact CG1-CD2 4.45Å
243L96.9Very high96.1Very high2 Ų25.3 Ų5.31%0.013%0.029CC..SBendtrans-76.9145.1-179.1-81.1170.9000112.7I239 E245 E367 V371 R404 L408 W476I239-L243 HydrophobicContact CG2-CD1 3.6Å; I239-L243 HydrophobicContact CG2-CG 4.01Å; I239-L243 PolarHBondContact O-N 2.88Å; L243-E245 PolarHBondContact O-N 2.75Å; L243-E367 HydrophobicContact CD2-CB 3.84Å; L243-E367 HydrophobicContact CD2-CG 4.49Å; L243-V371 HydrophobicContact CD1-CG1 4.25Å; L243-V371 HydrophobicContact CD1-CG2 4.33Å; L243-V371 HydrophobicContact CD2-CG1 3.89Å; L243-V371 HydrophobicContact CD2-CG2 4.35Å; L243-V371 HydrophobicContact CG-CG1 4.39Å; L243-R404 PolarHBondContact O-NH2 3.12Å; L243-L408 HydrophobicContact CD2-CD1 3.71Å; L243-L408 HydrophobicContact CD2-CD2 4.31Å; L243-L408 HydrophobicContact CG-CD2 4.47Å; L243-W476 HydrophobicContact CD1-CB 3.78Å; L243-W476 HydrophobicContact CD1-CD2 3.9Å; L243-W476 HydrophobicContact CD1-CG 3.34Å
244H97.4Very high96.3Very high6 Ų66.3 Ų6.33%0.0283%0.034CC..  trans-72.9112.6164.7-75.494.1000109.4D254 L360 L363 E367 D401 R404H244-D254 IonicContact CD2-OD2 3.96Å; H244-D254 PolarHBondContact CD2-OD2 3.09Å; H244-D254 IonicContact CG-OD2 3.53Å; H244-D254 IonicContact NE2-OD2 2.74Å; H244-L360 WeakPolarHBondContact NE2-CD2 3.47Å; H244-L363 WeakPolarHBondContact CE1-CD2 3.36Å; H244-E367 WeakPolarHBondContact CB-OE2 3.29Å; H244-E367 IonicContact CE1-OE1 3.37Å; H244-E367 IonicContact CG-OE1 3.69Å; H244-E367 IonicContact CG-OE2 2.55Å; H244-E367 PolarHBondContact N-OE2 3.41Å; H244-E367 IonicContact ND1-OE1 2.71Å; H244-E367 PolarHBondContact ND1-OE1 3.21Å; H244-E367 IonicContact ND1-OE2 3.53Å; H244-E367 PolarHBondContact ND1-OE2 3.13Å; H244-D401 IonicContact CE1-OD1 2.68Å; H244-D401 PolarHBondContact CE1-OD1 3.17Å; H244-D401 VanDerWaalsContact CE1-OD1 3.29Å; H244-D401 IonicContact NE2-OD1 3.74Å; H244-R404 PolarHBondContact CD2-NH2 2.99Å; H244-R404 PolarHBondContact CE1-NH1 3.42Å; H244-R404 PolarHBondContact CE1-NH2 3.5Å; H244-R404 VanDerWaalsContact CG-NH2 3.25Å; H244-R404 VanDerWaalsContact N-NH2 3.16Å; H244-R404 VanDerWaalsContact ND1-CZ 3.32Å; H244-R404 PolarHBondContact ND1-NH2 2.99Å; H244-R404 PolarHBondContact NE2-NH1 3.02Å
245E96.1Very high96.4Very high17 Ų177.8 Ų7.88%0.0794%0.042CC..  trans-98.3134.4179.5-78.2-83174.400110.6L243 A250 M251 S547 R550L243-E245 PolarHBondContact O-N 2.75Å; E245-A250 HydrophobicContact CB-CB 3.59Å; E245-A250 HydrophobicContact CG-CB 4.46Å; E245-M251 WeakPolarHBondContact O-CA 3.4Å; E245-M251 VanDerWaalsContact O-CB 3.25Å; E245-M251 WeakPolarHBondContact O-CB 3.43Å; E245-M251 PolarHBondContact O-N 3.3Å; E245-S547 WeakPolarHBondContact OE1-CB 3.42Å; E245-S547 PolarHBondContact OE1-OG 3.09Å; E245-R550 IonicContact OE2-CZ 2.78Å; E245-R550 IonicContact OE2-NH1 3.54Å; E245-R550 PolarHBondContact OE2-NH1 3.07Å; E245-R550 IonicContact OE2-NH2 3.69Å
246L97Very high96.6Very high7 Ų78.7 Ų8.74%0.0375%0.045CC..  trans-103.414.7-174.2-57-178.8000113.4M251 I295 F356 L473L246-M251 HydrophobicContact CD2-CE 4.06Å; L246-M251 HydrophobicContact CD2-SD 4.22Å; L246-I295 HydrophobicContact CB-CG2 4.24Å; L246-I295 WeakPolarHBondContact O-CB 3.45Å; L246-I295 WeakPolarHBondContact O-CG2 3.5Å; L246-I295 PolarHBondContact O-N 3.38Å; L246-F356 HydrophobicContact CD1-CE2 4.08Å; L246-F356 HydrophobicContact CD2-CD2 3.81Å; L246-F356 HydrophobicContact CD2-CE2 3.79Å; L246-L473 HydrophobicContact CD1-CB 3.68Å; L246-L473 HydrophobicContact CD1-CD1 4.39Å
247T97.6Very high96.8Very high12 Ų1213.9 Ų13.97%0.0747%0.073CC..BIsolated β-bridgetrans-85.2145166.453.70000111.2Q249 A250 M251 M293 R550T247-Q249 PolarHBondContact O-N 3.06Å; T247-A250 PolarHBondContact O-N 3.45Å; T247-A250 VanDerWaalsContact O-N 3.15Å; T247-M251 WeakPolarHBondContact O-CB 3.3Å; T247-M251 PolarHBondContact O-N 3.25Å; T247-M293 CarbonylContact C-O 3.54Å; T247-M293 VanDerWaalsContact CA-O 3.28Å; T247-M293 WeakPolarHBondContact CA-O 3.42Å; T247-R550 PolarHBondContact OG1-NH1 2.98Å
248F98.2Very high96.9Very high0 Ų015 Ų150%08%0.079CC..Hα-helixtrans-51.3-51.9-160.7-167.7-146.4000115A252 W287 L290 M293 I295 V298 H345 L348 A349F248-A252 VanDerWaalsContact O-CB 3.22Å; F248-A252 WeakPolarHBondContact O-CB 3.44Å; F248-A252 PolarHBondContact O-N 3.33Å; F248-W287 HydrophobicContact CD1-CE3 4.19Å; F248-W287 AromaticContact CD1-CZ3 3.82Å; F248-W287 HydrophobicContact CD1-CZ3 3.82Å; F248-W287 HydrophobicContact CE1-CE3 4.02Å; F248-W287 AromaticContact CE1-CZ3 3.79Å; F248-W287 HydrophobicContact CE1-CZ3 3.79Å; F248-W287 HydrophobicContact CZ-CZ3 4.46Å; F248-L290 WeakPolarHBondContact CB-O 3.27Å; F248-L290 HydrophobicContact CD1-CB 3.68Å; F248-L290 HydrophobicContact CE1-CB 3.98Å; F248-L290 HydrophobicContact CE1-CD1 4.19Å; F248-M293 PolarHBondContact N-O 3.29Å; F248-I295 HydrophobicContact CD2-CD1 3.93Å; F248-I295 HydrophobicContact CE2-CD1 4.34Å; F248-V298 HydrophobicContact CB-CG2 3.78Å; F248-V298 HydrophobicContact CD1-CG1 4.11Å; F248-V298 HydrophobicContact CD1-CG2 4.3Å; F248-V298 HydrophobicContact CD2-CG1 4.08Å; F248-V298 HydrophobicContact CD2-CG2 4.14Å; F248-V298 HydrophobicContact CE1-CG1 4Å; F248-V298 HydrophobicContact CE2-CG1 3.99Å; F248-V298 HydrophobicContact CG-CG1 4.13Å; F248-V298 HydrophobicContact CG-CG2 3.83Å; F248-V298 HydrophobicContact CZ-CG1 3.92Å; F248-H345 AromaticContact CE1-ND1 3.67Å; F248-H345 HydrophobicContact CZ-CB 4.46Å; F248-L348 HydrophobicContact CE1-CD2 4.19Å; F248-L348 HydrophobicContact CE2-CB 4.29Å; F248-L348 HydrophobicContact CE2-CD2 4.01Å; F248-L348 HydrophobicContact CE2-CG 3.9Å; F248-L348 HydrophobicContact CZ-CB 4.02Å; F248-L348 HydrophobicContact CZ-CD2 3.61Å; F248-L348 HydrophobicContact CZ-CG 3.87Å; F248-A349 HydrophobicContact CE2-CB 3.93Å; F248-A349 HydrophobicContact CZ-CB 4.36Å
249Q98.3Very high96.7Very high3 Ų321.2 Ų21.21%0.01411%0.106CC..Hα-helixtrans-66.6-50.7179.3173.7-176.432.600112.2E140 T247 M251 A252 Y253 W287 R291 H292E140-Q249 PolarHBondContact OE1-NE2 3.12Å; T247-Q249 PolarHBondContact O-N 3.06Å; Q249-M251 VanDerWaalsContact C-N 3.29Å; Q249-M251 PolarHBondContact O-N 3Å; Q249-A252 PolarHBondContact O-N 2.96Å; Q249-Y253 HydrophobicContact CG-CD2 4.14Å; Q249-Y253 HydrophobicContact CG-CE2 4.17Å; Q249-Y253 VanDerWaalsContact O-CD2 3.25Å; Q249-Y253 WeakPolarHBondContact O-CD2 3.39Å; Q249-Y253 PolarHBondContact O-N 2.94Å; Q249-W287 HydrophobicContact CB-CH2 3.84Å; Q249-W287 HydrophobicContact CB-CZ2 3.86Å; Q249-W287 HydrophobicContact CG-CH2 4.14Å; Q249-W287 HydrophobicContact CG-CZ2 3.77Å; Q249-R291 HydrophobicContact CB-CB 3.85Å; Q249-R291 VanDerWaalsContact CB-O 3.26Å; Q249-R291 WeakPolarHBondContact CB-O 3.25Å; Q249-R291 PolarHBondContact N-O 2.92Å; Q249-H292 PolarHBondContact OE1-CE1 3.4Å; Q249-H292 VanDerWaalsContact OE1-CE1 3.3Å
250A97.9Very high96.4Very high8 Ų827.5 Ų27.57%0.06614%0.135CC..Hα-helixtrans-58.4-43.5179.900000111.8E245 T247 D254 H546E245-A250 HydrophobicContact CB-CB 3.59Å; E245-A250 HydrophobicContact CG-CB 4.46Å; T247-A250 PolarHBondContact O-N 3.45Å; T247-A250 VanDerWaalsContact O-N 3.15Å; A250-D254 WeakPolarHBondContact O-CB 3.42Å; A250-D254 PolarHBondContact O-N 3.4Å; A250-D254 VanDerWaalsContact O-N 3.09Å; A250-H546 HydrophobicContact CB-CB 3.6Å
251M97.9Very high96.2Very high1 Ų129.1 Ų29.11%0.00514%0.143CC..Hα-helixtrans-65.8-44.1178.1-167.9-180-174.400112.1E245 L246 T247 Q249 Y253 D254 L255 I295 C352 F356E245-M251 WeakPolarHBondContact O-CA 3.4Å; E245-M251 VanDerWaalsContact O-CB 3.25Å; E245-M251 WeakPolarHBondContact O-CB 3.43Å; E245-M251 PolarHBondContact O-N 3.3Å; L246-M251 HydrophobicContact CD2-CE 4.06Å; L246-M251 HydrophobicContact CD2-SD 4.22Å; T247-M251 WeakPolarHBondContact O-CB 3.3Å; T247-M251 PolarHBondContact O-N 3.25Å; Q249-M251 VanDerWaalsContact C-N 3.29Å; Q249-M251 PolarHBondContact O-N 3Å; M251-Y253 PolarHBondContact O-N 2.97Å; M251-D254 PolarHBondContact O-N 2.98Å; M251-L255 HydrophobicContact CE-CD1 3.67Å; M251-L255 HydrophobicContact CG-CD1 3.72Å; M251-L255 HydrophobicContact CG-CG 4.24Å; M251-L255 WeakPolarHBondContact O-CB 3.45Å; M251-L255 VanDerWaalsContact O-CG 3.29Å; M251-L255 WeakPolarHBondContact O-CG 3.38Å; M251-L255 PolarHBondContact O-N 3.35Å; M251-I295 HydrophobicContact CE-CG1 4.47Å; M251-I295 HydrophobicContact CE-CG2 4.44Å; M251-I295 HydrophobicContact SD-CB 3.69Å; M251-I295 HydrophobicContact SD-CD1 4.25Å; M251-I295 HydrophobicContact SD-CG1 3.71Å; M251-I295 HydrophobicContact SD-CG2 3.77Å; M251-C352 HydrophobicContact CE-CB 4.01Å; M251-C352 HydrophobicContact CG-CB 4.26Å; M251-C352 HydrophobicContact SD-CB 3.93Å; M251-F356 HydrophobicContact CE-CB 3.5Å; M251-F356 VanDerWaalsContact CE-CB 3.5Å; M251-F356 HydrophobicContact CE-CD2 4.05Å; M251-F356 HydrophobicContact CE-CG 3.97Å
252A97.9Very high96.2Very high0 Ų031.8 Ų31.80%016%0.157CC..Hα-helixtrans-62.6-44-179.800000111.8F248 Q249 L256 I258 L348F248-A252 VanDerWaalsContact O-CB 3.22Å; F248-A252 WeakPolarHBondContact O-CB 3.44Å; F248-A252 PolarHBondContact O-N 3.33Å; Q249-A252 PolarHBondContact O-N 2.96Å; A252-L256 HydrophobicContact CB-CD1 4.49Å; A252-L256 VanDerWaalsContact O-CB 3.27Å; A252-L256 WeakPolarHBondContact O-CB 3.35Å; A252-L256 PolarHBondContact O-N 3.18Å; A252-I258 HydrophobicContact CB-CD1 3.94Å; A252-L348 HydrophobicContact CB-CD1 4.16Å; A252-L348 HydrophobicContact CB-CD2 4.4Å; A252-L348 HydrophobicContact CB-CG 4.37Å
253Y97.9Very high96.1Very high22 Ų2232.3 Ų32.39%0.08616%0.159CC..Hα-helixtrans-75.1-22.9-179.4-81-108000113.5Q249 M251 I258 D261 L280 W287 H546 T574Q249-Y253 HydrophobicContact CG-CD2 4.14Å; Q249-Y253 HydrophobicContact CG-CE2 4.17Å; Q249-Y253 VanDerWaalsContact O-CD2 3.25Å; Q249-Y253 WeakPolarHBondContact O-CD2 3.39Å; Q249-Y253 PolarHBondContact O-N 2.94Å; M251-Y253 PolarHBondContact O-N 2.97Å; Y253-I258 HydrophobicContact CD1-CB 4.5Å; Y253-I258 HydrophobicContact CD1-CG2 4.25Å; Y253-I258 HydrophobicContact CD2-CD1 3.91Å; Y253-I258 HydrophobicContact CE1-CG2 3.79Å; Y253-I258 HydrophobicContact CE2-CD1 4.07Å; Y253-I258 HydrophobicContact CE2-CG2 4.39Å; Y253-I258 HydrophobicContact CG-CD1 4.3Å; Y253-D261 WeakPolarHBondContact OH-CA 3.43Å; Y253-D261 WeakPolarHBondContact OH-CB 3.26Å; Y253-D261 PolarHBondContact OH-OD1 3.16Å; Y253-L280 HydrophobicContact CE2-CD1 4.19Å; Y253-W287 HydrophobicContact CE2-CH2 4.23Å; Y253-W287 HydrophobicContact CE2-CZ2 4.03Å; Y253-H546 AromaticContact CD1-CE1 3.77Å; Y253-H546 AromaticContact CD1-NE2 3.84Å; Y253-H546 AromaticContact CG-CE1 3.75Å; Y253-H546 AromaticContact CG-NE2 3.79Å; Y253-T574 WeakPolarHBondContact O-CG2 3.45Å
254D97.1Very high95.9Very high22 Ų2235.4 Ų35.412%0.11818%0.178CC..Hα-helixtrans-78.1-45172.6-169.217.7000111.3H244 A250 M251 R404 P575H244-D254 IonicContact CD2-OD2 3.96Å; H244-D254 PolarHBondContact CD2-OD2 3.09Å; H244-D254 IonicContact CG-OD2 3.53Å; H244-D254 IonicContact NE2-OD2 2.74Å; A250-D254 WeakPolarHBondContact O-CB 3.42Å; A250-D254 PolarHBondContact O-N 3.4Å; A250-D254 VanDerWaalsContact O-N 3.09Å; M251-D254 PolarHBondContact O-N 2.98Å; D254-R404 IonicContact OD1-NH1 3.73Å; D254-R404 PolarHBondContact OD1-NH1 3.27Å; D254-R404 IonicContact OD1-NH2 2.67Å; D254-R404 IonicContact OD2-CZ 3.74Å; D254-R404 IonicContact OD2-NH1 3.19Å; D254-R404 PolarHBondContact OD2-NH1 3.48Å; D254-R404 IonicContact OD2-NH2 3.37Å; D254-R404 PolarHBondContact OD2-NH2 2.84Å; D254-P575 HydrophobicContact CB-CG 4.4Å; D254-P575 WeakPolarHBondContact OD1-CD 3.29Å; D254-P575 WeakPolarHBondContact OD1-CG 3.26Å
255L95.8Very high95.6Very high32 Ų3235.7 Ų35.717%0.16818%0.179CC..Hα-helixtrans-96.7-20.8-165.7-57-170.2000115.5M251 K355 L360M251-L255 HydrophobicContact CE-CD1 3.67Å; M251-L255 HydrophobicContact CG-CD1 3.72Å; M251-L255 HydrophobicContact CG-CG 4.24Å; M251-L255 WeakPolarHBondContact O-CB 3.45Å; M251-L255 VanDerWaalsContact O-CG 3.29Å; M251-L255 WeakPolarHBondContact O-CG 3.38Å; M251-L255 PolarHBondContact O-N 3.35Å; L255-K355 HydrophobicContact CB-CB 4.37Å; L255-K355 HydrophobicContact CD1-CB 4.15Å; L255-L360 HydrophobicContact CD1-CD1 3.53Å; L255-L360 HydrophobicContact CD2-CD1 3.33Å; L255-L360 HydrophobicContact CG-CD1 4.06Å
256L95.9Very high95Very high26 Ų2641.2 Ų41.214%0.13621%0.205CC..SBendtrans-116.6154.2-173-51.1178.2000111A252 I258 Y263 L348 A351 K355A252-L256 HydrophobicContact CB-CD1 4.49Å; A252-L256 VanDerWaalsContact O-CB 3.27Å; A252-L256 WeakPolarHBondContact O-CB 3.35Å; A252-L256 PolarHBondContact O-N 3.18Å; L256-I258 VanDerWaalsContact C-N 3.3Å; L256-I258 HydrophobicContact CB-CG1 4.34Å; L256-I258 PolarHBondContact O-N 3.27Å; L256-Y263 HydrophobicContact CD1-CE2 3.98Å; L256-L348 HydrophobicContact CD1-CD1 3.41Å; L256-L348 VanDerWaalsContact CD1-CD1 3.41Å; L256-L348 HydrophobicContact CD1-CG 4.49Å; L256-A351 HydrophobicContact CD1-CB 4.01Å; L256-A351 HydrophobicContact CD2-CB 3.91Å; L256-K355 HydrophobicContact CD2-CG 4.32Å
257D94.2Very high93.7Very high116 Ų11641.4 Ų41.462%0.6221%0.207SC*.  trans-78.979.6177.3-168.132.2000110.3K259D257-K259 VanDerWaalsContact CG-CE 3.42Å; D257-K259 WeakPolarHBondContact OD1-CE 3.43Å; D257-K259 IonicContact OD1-NZ 3.75Å; D257-K259 WeakPolarHBondContact OD2-CE 3.25Å; D257-K259 IonicContact OD2-NZ 3.85Å; D257-K259 PolarHBondContact OD2-NZ 3.44Å
258I96.1Very high92Very high24 Ų2446.8 Ų46.812%0.12324%0.24CC..EExtended strand (participates in β ladder)trans-100.3120.3174.1-61.4172.2000108.1A252 Y253 L256 Y263 L280A252-I258 HydrophobicContact CB-CD1 3.94Å; Y253-I258 HydrophobicContact CD1-CB 4.5Å; Y253-I258 HydrophobicContact CD1-CG2 4.25Å; Y253-I258 HydrophobicContact CD2-CD1 3.91Å; Y253-I258 HydrophobicContact CE1-CG2 3.79Å; Y253-I258 HydrophobicContact CE2-CD1 4.07Å; Y253-I258 HydrophobicContact CE2-CG2 4.39Å; Y253-I258 HydrophobicContact CG-CD1 4.3Å; L256-I258 VanDerWaalsContact C-N 3.3Å; L256-I258 HydrophobicContact CB-CG1 4.34Å; L256-I258 PolarHBondContact O-N 3.27Å; I258-Y263 HydrophobicContact CG1-CD2 4.04Å; I258-L280 HydrophobicContact CD1-CD1 3.88Å
259K92Very high90Very high130 Ų13048.3 Ų48.357%0.56526%0.255SS*.EExtended strand (participates in β ladder)trans-118.4122.7-178.5-63.9-177.1-169.7167.70109.8D257 D261 I262D257-K259 VanDerWaalsContact CG-CE 3.42Å; D257-K259 WeakPolarHBondContact OD1-CE 3.43Å; D257-K259 IonicContact OD1-NZ 3.75Å; D257-K259 WeakPolarHBondContact OD2-CE 3.25Å; D257-K259 IonicContact OD2-NZ 3.85Å; D257-K259 PolarHBondContact OD2-NZ 3.44Å; K259-D261 PolarHBondContact O-N 3.38Å; K259-I262 PolarHBondContact N-O 3.33Å; K259-I262 VanDerWaalsContact N-O 3.16Å; K259-I262 WeakPolarHBondContact O-CB 3.21Å; K259-I262 PolarHBondContact O-N 2.79Å
260Q88.5Confident87.4Confident146 Ų14654.5 Ų54.568%0.68229%0.287SS*.THydrogen-bonded Turntrans5145.5-178.5-56.9-178.3-48.900111.6I262Q260-I262 PolarHBondContact O-N 3.48Å
261D94.1Very high85.2Confident36 Ų3656.8 Ų56.819%0.19331%0.312CS..THydrogen-bonded Turntrans63.88.1-178.5-41-47.4000114.8Y139 Y253 K259 L279 L280Y139-D261 WeakPolarHBondContact CE2-OD2 3.2Å; Y139-D261 PolarHBondContact OH-OD1 3.3Å; Y253-D261 WeakPolarHBondContact OH-CA 3.43Å; Y253-D261 WeakPolarHBondContact OH-CB 3.26Å; Y253-D261 PolarHBondContact OH-OD1 3.16Å; K259-D261 PolarHBondContact O-N 3.38Å; D261-L279 HydrophobicContact CB-CD1 3.98Å; D261-L280 PolarHBondContact O-N 2.6Å
262I95.4Very high83.1Confident57 Ų5763.7 Ų63.729%0.29235%0.349SS..EExtended strand (participates in β ladder)trans-93.1118.9175.9-58.3170.8000109.6K259 Q260 E277 V278 L279K259-I262 PolarHBondContact N-O 3.33Å; K259-I262 VanDerWaalsContact N-O 3.16Å; K259-I262 WeakPolarHBondContact O-CB 3.21Å; K259-I262 PolarHBondContact O-N 2.79Å; Q260-I262 PolarHBondContact O-N 3.48Å; I262-E277 HydrophobicContact CG2-CB 3.93Å; I262-E277 HydrophobicContact CG2-CG 4.47Å; I262-V278 WeakPolarHBondContact CA-O 3.46Å; I262-L279 HydrophobicContact CG1-CD1 4.1Å
263Y95.6Very high81.3Confident11 Ų1167.4 Ų67.44%0.04338%0.375CS..EExtended strand (participates in β ladder)trans-98.2123.7171.7177.4-123.1000110.8L256 I258 Y265 V278 T344 H347 L348L256-Y263 HydrophobicContact CD1-CE2 3.98Å; I258-Y263 HydrophobicContact CG1-CD2 4.04Å; Y263-Y265 AromaticContact CD1-CD1 3.7Å; Y263-Y265 HydrophobicContact CD1-CD1 3.7Å; Y263-Y265 HydrophobicContact CD1-CE1 4.32Å; Y263-Y265 HydrophobicContact CD1-CG 4.48Å; Y263-Y265 AromaticContact CE1-CD1 3.5Å; Y263-Y265 HydrophobicContact CE1-CD1 3.5Å; Y263-Y265 VanDerWaalsContact CE1-CD1 3.5Å; Y263-Y265 HydrophobicContact CE1-CE1 4.27Å; Y263-Y265 AromaticContact CE1-CG 3.86Å; Y263-Y265 HydrophobicContact CE1-CG 3.86Å; Y263-V278 PolarHBondContact N-O 3.49Å; Y263-V278 PolarHBondContact O-N 3.41Å; Y263-T344 HydrophobicContact CD1-CG2 4.29Å; Y263-H347 AromaticContact CE1-ND1 3.81Å; Y263-H347 AromaticContact CZ-ND1 3.74Å; Y263-H347 PolarHBondContact OH-CE1 3.45Å; Y263-H347 PolarHBondContact OH-ND1 2.87Å; Y263-L348 HydrophobicContact CD1-CD1 3.89Å; Y263-L348 HydrophobicContact CD2-CD1 3.95Å; Y263-L348 HydrophobicContact CE1-CB 4.15Å; Y263-L348 HydrophobicContact CE1-CD1 3.73Å; Y263-L348 HydrophobicContact CE2-CD1 3.81Å; Y263-L348 HydrophobicContact CG-CD1 3.98Å
264T93.9Very high80Confident68 Ų6873.6 Ų73.642%0.41740%0.402SS..EExtended strand (participates in β ladder)trans-110.5126179.7-54.90000111.1A275 R276 E277T264-A275 HydrophobicContact CG2-CB 4.22Å; T264-R276 CarbonylContact C-O 3.53Å; T264-R276 VanDerWaalsContact CA-O 3.27Å; T264-R276 WeakPolarHBondContact CA-O 3.23Å; T264-E277 HydrophobicContact CG2-CG 4.12Å
265Y89.6Confident79.4Confident12 Ų1275.9 Ų75.95%0.04742%0.424CS..EExtended strand (participates in β ladder)trans-145.3159.517871.9-78.7000113.4Y263 R276 V278 T344 H347Y263-Y265 AromaticContact CD1-CD1 3.7Å; Y263-Y265 HydrophobicContact CD1-CD1 3.7Å; Y263-Y265 HydrophobicContact CD1-CE1 4.32Å; Y263-Y265 HydrophobicContact CD1-CG 4.48Å; Y263-Y265 AromaticContact CE1-CD1 3.5Å; Y263-Y265 HydrophobicContact CE1-CD1 3.5Å; Y263-Y265 VanDerWaalsContact CE1-CD1 3.5Å; Y263-Y265 HydrophobicContact CE1-CE1 4.27Å; Y263-Y265 AromaticContact CE1-CG 3.86Å; Y263-Y265 HydrophobicContact CE1-CG 3.86Å; Y265-R276 HydrophobicContact CD1-CB 4.37Å; Y265-R276 HydrophobicContact CE1-CB 4.03Å; Y265-R276 PolarHBondContact N-O 3.16Å; Y265-R276 PolarHBondContact O-N 3.32Å; Y265-V278 HydrophobicContact CE1-CG2 3.92Å; Y265-T344 HydrophobicContact CE1-CG2 3.97Å; Y265-T344 PolarHBondContact OH-OG1 3.26Å; Y265-H347 WeakPolarHBondContact CB-CE1 3.41Å; Y265-H347 HydrophobicContact CD2-CB 4.17Å; Y265-H347 AromaticContact CD2-CD2 3.56Å; Y265-H347 AromaticContact CD2-CE1 3.73Å; Y265-H347 AromaticContact CD2-CG 3.48Å; Y265-H347 VanDerWaalsContact CD2-CG 3.48Å; Y265-H347 AromaticContact CD2-ND1 3.57Å; Y265-H347 AromaticContact CD2-NE2 3.7Å; Y265-H347 HydrophobicContact CE2-CB 4.1Å; Y265-H347 AromaticContact CE2-CG 3.91Å; Y265-H347 AromaticContact CG-CE1 3.8Å; Y265-H347 AromaticContact CG-ND1 3.64Å
266Q83.9Confident79Confident133 Ų13377.7 Ų77.762%0.62143%0.428SS*.EExtended strand (participates in β ladder)trans-90116.4176.6-66.2-170.7-5.400110.2
267S70.3Confident78.8Confident11 Ų1183.3 Ų83.38%0.07745%0.454CS..EExtended strand (participates in β ladder)trans-91.5126.1174.7-176.80000110.4G269 K274 R276S267-G269 PolarHBondContact O-N 3.41Å; S267-K274 PolarHBondContact N-O 3.36Å; S267-R276 VanDerWaalsContact CB-NE 3.32Å; S267-R276 PolarHBondContact OG-NE 3.32Å; S267-R276 PolarHBondContact OG-NH2 3.33Å
268T61.9Low78.7Confident124 Ų12479.3 Ų79.376%0.76143%0.434SS*.  trans-77.467.6171.747.80000110.4
269G56.7Low78.6Confident32 Ų3282 Ų8233%0.3345%0.448SS..  trans-101.6172.4171.600000113S267 G271S267-G269 PolarHBondContact O-N 3.41Å; G269-G271 PolarHBondContact O-N 3.42Å
270I43.5Very low78.7Confident133 Ų13376 Ų7668%0.68242%0.422SS*.SBendtrans-56.8117.4-177.1-46.6170.9000111.1K330I270-K330 HydrophobicContact CD1-CD 3.49Å; I270-K330 VanDerWaalsContact CD1-CD 3.49Å; I270-K330 HydrophobicContact CD1-CG 3.92Å; I270-K330 VanDerWaalsContact CD1-NZ 3.26Å; I270-K330 HydrophobicContact CG1-CD 4.3Å; I270-K330 VanDerWaalsContact CG1-NZ 3.34Å
271G50.8Low78.9Confident56 Ų5670.8 Ų70.858%0.57740%0.399SS*.SBendtrans80.297.3166.100000114.2G269G269-G271 PolarHBondContact O-N 3.42Å
272N53.2Low78.8Confident146 Ų14671 Ų7178%0.78140%0.398SS*.SBendtrans58.7129.7-176.9-72.3-6.3000114.8K274N272-K274 PolarHBondContact O-N 2.85Å
273S60.4Low78.6Confident78 Ų7872.4 Ų72.455%0.54541%0.406SS..  trans-5598.9170-57.90000109.3
274K71.8Confident78.4Confident153 Ų15372.2 Ų72.267%0.66541%0.406SS*.EExtended strand (participates in β ladder)trans-89129.4173.1-71.1-174-178.6-177.10108.1S267 N272 R276S267-K274 PolarHBondContact N-O 3.36Å; N272-K274 PolarHBondContact O-N 2.85Å; K274-R276 PolarHBondContact O-N 3.17Å
275A84.3Confident78.3Confident69 Ų6976 Ų7657%0.5742%0.419SS*.EExtended strand (participates in β ladder)trans-59.8127.916500000108.1T264T264-A275 HydrophobicContact CG2-CB 4.22Å
276R86.4Confident78.5Confident71 Ų7176 Ų7627%0.26842%0.42SS..EExtended strand (participates in β ladder)trans-106.7133.1170.9-69.5-166.3-177.6-177.94.5108T264 Y265 S267 K274 S340T264-R276 CarbonylContact C-O 3.53Å; T264-R276 VanDerWaalsContact CA-O 3.27Å; T264-R276 WeakPolarHBondContact CA-O 3.23Å; Y265-R276 HydrophobicContact CD1-CB 4.37Å; Y265-R276 HydrophobicContact CE1-CB 4.03Å; Y265-R276 PolarHBondContact N-O 3.16Å; Y265-R276 PolarHBondContact O-N 3.32Å; S267-R276 VanDerWaalsContact CB-NE 3.32Å; S267-R276 PolarHBondContact OG-NE 3.32Å; S267-R276 PolarHBondContact OG-NH2 3.33Å; K274-R276 PolarHBondContact O-N 3.17Å; R276-S340 PolarHBondContact NH1-OG 3.24Å
277E91.8Very high79Confident144 Ų14469.9 Ų69.967%0.67339%0.391SS*.EExtended strand (participates in β ladder)trans-107.6128.9172.8-60.7-177.6161.800107.3I262 T264I262-E277 HydrophobicContact CG2-CB 3.93Å; I262-E277 HydrophobicContact CG2-CG 4.47Å; T264-E277 HydrophobicContact CG2-CG 4.12Å
278V93.1Very high80.2Confident32 Ų3272 Ų7219%0.19440%0.403CS..EExtended strand (participates in β ladder)trans-131.2127.9179.6-1760000108.8I262 Y263 Y265 T344I262-V278 WeakPolarHBondContact CA-O 3.46Å; Y263-V278 PolarHBondContact N-O 3.49Å; Y263-V278 PolarHBondContact O-N 3.41Å; Y265-V278 HydrophobicContact CE1-CG2 3.92Å; V278-T344 HydrophobicContact CB-CG2 4.05Å; V278-T344 HydrophobicContact CG1-CG2 3.98Å; V278-T344 HydrophobicContact CG2-CG2 4.01Å
279L93.4Very high81.8Confident79 Ų7971 Ų7141%0.41439%0.39SS..EExtended strand (participates in β ladder)trans-79.7128172.8-175.964.3000109.4D261 I262 D281D261-L279 HydrophobicContact CB-CD1 3.98Å; I262-L279 HydrophobicContact CG1-CD1 4.1Å; L279-D281 HydrophobicContact CD2-CB 4.4Å; L279-D281 WeakPolarHBondContact CD2-OD2 3.47Å; L279-D281 HydrophobicContact CG-CB 4.22Å
280L94.6Very high83.7Confident6 Ų669.5 Ų69.53%0.03138%0.375CS..  trans-95.987.1177.8-60.7178.4000109.8Y253 I258 D261 W287 L348Y253-L280 HydrophobicContact CE2-CD1 4.19Å; I258-L280 HydrophobicContact CD1-CD1 3.88Å; D261-L280 PolarHBondContact O-N 2.6Å; L280-W287 HydrophobicContact CB-CD2 4.46Å; L280-W287 HydrophobicContact CB-CZ2 4.16Å; L280-W287 HydrophobicContact CD1-CH2 4.01Å; L280-W287 HydrophobicContact CD1-CZ2 4.28Å; L280-W287 HydrophobicContact CD1-CZ3 4.38Å; L280-W287 HydrophobicContact CD2-CE3 4.35Å; L280-W287 HydrophobicContact CD2-CZ3 4.47Å; L280-L348 HydrophobicContact CD1-CD2 4.25Å; L280-L348 HydrophobicContact CD2-CD2 4.32Å
281D92.5Very high86.3Confident35 Ų3563.4 Ų63.419%0.18734%0.343CS..SBendtrans-131.3-176.6-177.468.47.8000112.9L279 D283 D284 W287L279-D281 HydrophobicContact CD2-CB 4.4Å; L279-D281 WeakPolarHBondContact CD2-OD2 3.47Å; L279-D281 HydrophobicContact CG-CB 4.22Å; D281-D283 PolarHBondContact O-N 3.38Å; D281-D283 WeakPolarHBondContact OD1-CB 3.41Å; D281-D283 PolarHBondContact OD1-N 3.33Å; D281-D284 PolarHBondContact O-N 2.92Å; D281-W287 VanDerWaalsContact O-CD1 3.28Å
282E92.6Very high88.5Confident41 Ų4162 Ų6219%0.19232%0.321CS..THydrogen-bonded Turntrans-80.20.9179.7-61.9-166.6143.200113.8K7 E140 S141 V288 R291K7-E282 HydrophobicContact CD-CB 4.25Å; K7-E282 HydrophobicContact CD-CG 4.4Å; K7-E282 VanDerWaalsContact CD-OE2 3.31Å; K7-E282 WeakPolarHBondContact CD-OE2 3.41Å; E140-E282 WeakPolarHBondContact CB-OE1 3.48Å; S141-E282 WeakPolarHBondContact CB-OE1 3.29Å; S141-E282 PolarHBondContact N-OE1 3.24Å; S141-E282 PolarHBondContact N-OE2 2.99Å; S141-E282 PolarHBondContact OG-OE1 3.08Å; E282-V288 HydrophobicContact CB-CG2 3.94Å; E282-V288 HydrophobicContact CG-CG2 4Å; E282-R291 IonicContact OE1-CZ 3.4Å; E282-R291 IonicContact OE1-NH1 3.15Å; E282-R291 PolarHBondContact OE1-NH1 2.94Å; E282-R291 IonicContact OE1-NH2 3.76Å; E282-R291 PolarHBondContact OE1-NH2 3.06Å
283D89.6Confident90.6Very high86 Ų8657.5 Ų57.546%0.4630%0.297SS..THydrogen-bonded Turntrans-75.5-18.5168.5-80.3-35.2000111.8K46 D281K46-D283 WeakPolarHBondContact CE-OD1 3.41Å; K46-D283 WeakPolarHBondContact CE-OD2 3.23Å; K46-D283 VanDerWaalsContact NZ-CG 3.32Å; K46-D283 IonicContact NZ-OD1 2.8Å; K46-D283 PolarHBondContact NZ-OD1 2.6Å; K46-D283 IonicContact NZ-OD2 2.98Å; K46-D283 PolarHBondContact NZ-OD2 3.21Å; D281-D283 PolarHBondContact O-N 3.38Å; D281-D283 WeakPolarHBondContact OD1-CB 3.41Å; D281-D283 PolarHBondContact OD1-N 3.33Å
284D92.1Very high92.3Very high7 Ų755 Ų554%0.03728%0.276CS..  trans-90.499169.7-172.6-21.1000110.6D281 L286 W287 V288 M341 H345D281-D284 PolarHBondContact O-N 2.92Å; D284-L286 PolarHBondContact O-N 3.35Å; D284-L286 WeakPolarHBondContact OD1-CA 3.21Å; D284-L286 WeakPolarHBondContact OD1-CB 3.49Å; D284-L286 PolarHBondContact OD1-N 2.74Å; D284-W287 HydrophobicContact CB-CB 3.83Å; D284-W287 WeakPolarHBondContact O-CB 3.47Å; D284-W287 PolarHBondContact O-N 2.94Å; D284-W287 VanDerWaalsContact O-N 3.08Å; D284-W287 PolarHBondContact OD1-N 3.22Å; D284-V288 PolarHBondContact O-N 2.87Å; D284-V288 VanDerWaalsContact O-N 3.13Å; D284-M341 HydrophobicContact CB-CE 4.49Å; D284-H345 IonicContact OD1-NE2 3.65Å; D284-H345 IonicContact OD2-CD2 2.73Å; D284-H345 IonicContact OD2-CE1 2.7Å; D284-H345 IonicContact OD2-NE2 3.95Å; D284-H345 PolarHBondContact OD2-NE2 2.89Å
285E91.4Very high93.5Very high148 Ų14848.2 Ų48.269%0.69225%0.247SC*.Hα-helixtrans-58.9-28.6177.3-65-174.9179.800113.2Q289E285-Q289 VanDerWaalsContact O-CG 3.32Å; E285-Q289 WeakPolarHBondContact O-CG 3.48Å; E285-Q289 PolarHBondContact O-N 3.18Å
286L93.4Very high93.9Very high13 Ų1347.8 Ų47.87%0.06824%0.243CC..Hα-helixtrans-72.4-40.9177.4-176.558.9000110D284 V288 Q289 L290 L305 Y342 H345D284-L286 PolarHBondContact O-N 3.35Å; D284-L286 WeakPolarHBondContact OD1-CA 3.21Å; D284-L286 WeakPolarHBondContact OD1-CB 3.49Å; D284-L286 PolarHBondContact OD1-N 2.74Å; L286-V288 PolarHBondContact O-N 3.08Å; L286-Q289 PolarHBondContact O-N 3.22Å; L286-L290 HydrophobicContact CD1-CD1 3.6Å; L286-L290 HydrophobicContact CD1-CG 3.97Å; L286-L290 HydrophobicContact CD2-CD1 4.43Å; L286-L290 HydrophobicContact CG-CD1 3.61Å; L286-L290 HydrophobicContact CG-CG 4.34Å; L286-L290 WeakPolarHBondContact O-CB 3.36Å; L286-L290 WeakPolarHBondContact O-CG 3.45Å; L286-L290 PolarHBondContact O-N 3.27Å; L286-L305 HydrophobicContact CD1-CD1 3.41Å; L286-L305 VanDerWaalsContact CD1-CD1 3.41Å; L286-Y342 HydrophobicContact CD1-CE1 4.37Å; L286-Y342 HydrophobicContact CD2-CD1 3.59Å; L286-Y342 HydrophobicContact CD2-CE1 3.78Å; L286-Y342 HydrophobicContact CD2-CG 4.1Å; L286-H345 HydrophobicContact CD2-CB 4.36Å; L286-H345 VanDerWaalsContact CD2-CD2 3.44Å; L286-H345 WeakPolarHBondContact CD2-CD2 3.3Å
287W95.9Very high94.4Very high3 Ų347.4 Ų47.41%0.01125%0.247CC..Hα-helixtrans-58.2-48.3172.6178.7-117000111.8F248 Q249 Y253 L280 D281 D284 Q289 L290 R291 H345 L348F248-W287 HydrophobicContact CD1-CE3 4.19Å; F248-W287 AromaticContact CD1-CZ3 3.82Å; F248-W287 HydrophobicContact CD1-CZ3 3.82Å; F248-W287 HydrophobicContact CE1-CE3 4.02Å; F248-W287 AromaticContact CE1-CZ3 3.79Å; F248-W287 HydrophobicContact CE1-CZ3 3.79Å; F248-W287 HydrophobicContact CZ-CZ3 4.46Å; Q249-W287 HydrophobicContact CB-CH2 3.84Å; Q249-W287 HydrophobicContact CB-CZ2 3.86Å; Q249-W287 HydrophobicContact CG-CH2 4.14Å; Q249-W287 HydrophobicContact CG-CZ2 3.77Å; Y253-W287 HydrophobicContact CE2-CH2 4.23Å; Y253-W287 HydrophobicContact CE2-CZ2 4.03Å; L280-W287 HydrophobicContact CB-CD2 4.46Å; L280-W287 HydrophobicContact CB-CZ2 4.16Å; L280-W287 HydrophobicContact CD1-CH2 4.01Å; L280-W287 HydrophobicContact CD1-CZ2 4.28Å; L280-W287 HydrophobicContact CD1-CZ3 4.38Å; L280-W287 HydrophobicContact CD2-CE3 4.35Å; L280-W287 HydrophobicContact CD2-CZ3 4.47Å; D281-W287 VanDerWaalsContact O-CD1 3.28Å; D284-W287 HydrophobicContact CB-CB 3.83Å; D284-W287 WeakPolarHBondContact O-CB 3.47Å; D284-W287 PolarHBondContact O-N 2.94Å; D284-W287 VanDerWaalsContact O-N 3.08Å; D284-W287 PolarHBondContact OD1-N 3.22Å; W287-Q289 VanDerWaalsContact C-N 3.26Å; W287-Q289 PolarHBondContact O-N 3.46Å; W287-L290 PolarHBondContact O-N 3.14Å; W287-L290 VanDerWaalsContact O-N 3.11Å; W287-R291 HydrophobicContact CD2-CB 4.19Å; W287-R291 HydrophobicContact CZ2-CB 4.26Å; W287-R291 VanDerWaalsContact O-CB 3.27Å; W287-R291 WeakPolarHBondContact O-CB 3.37Å; W287-R291 WeakPolarHBondContact O-CG 3.3Å; W287-R291 PolarHBondContact O-N 3.41Å; W287-H345 AromaticContact CE3-CE1 3.6Å; W287-H345 AromaticContact CE3-ND1 3.9Å; W287-L348 HydrophobicContact CH2-CD2 4.45Å; W287-L348 HydrophobicContact CZ3-CD2 3.76Å
288V95.4Very high94.6Very high55 Ų5540.6 Ų40.633%0.33322%0.215SC..Hα-helixtrans-58.7-38.2179.1177.70000111.9E282 D284 L286E282-V288 HydrophobicContact CB-CG2 3.94Å; E282-V288 HydrophobicContact CG-CG2 4Å; D284-V288 PolarHBondContact O-N 2.87Å; D284-V288 VanDerWaalsContact O-N 3.13Å; L286-V288 PolarHBondContact O-N 3.08Å
289Q94.9Very high94.4Very high104 Ų10442.1 Ų42.149%0.48623%0.225SC..Hα-helixtrans-72-35.3177.3-72.2177.246.400113E285 L286 W287E285-Q289 VanDerWaalsContact O-CG 3.32Å; E285-Q289 WeakPolarHBondContact O-CG 3.48Å; E285-Q289 PolarHBondContact O-N 3.18Å; L286-Q289 PolarHBondContact O-N 3.22Å; W287-Q289 VanDerWaalsContact C-N 3.26Å; W287-Q289 PolarHBondContact O-N 3.46Å
290L97Very high94.3Very high0 Ų046.3 Ų46.30%024%0.239CC..Hα-helixtrans-93.7-28.4-171.9-63.6172.3000114.2F248 L286 W287 H292 M293 V298 K301 V302 H345F248-L290 WeakPolarHBondContact CB-O 3.27Å; F248-L290 HydrophobicContact CD1-CB 3.68Å; F248-L290 HydrophobicContact CE1-CB 3.98Å; F248-L290 HydrophobicContact CE1-CD1 4.19Å; L286-L290 HydrophobicContact CD1-CD1 3.6Å; L286-L290 HydrophobicContact CD1-CG 3.97Å; L286-L290 HydrophobicContact CD2-CD1 4.43Å; L286-L290 HydrophobicContact CG-CD1 3.61Å; L286-L290 HydrophobicContact CG-CG 4.34Å; L286-L290 WeakPolarHBondContact O-CB 3.36Å; L286-L290 WeakPolarHBondContact O-CG 3.45Å; L286-L290 PolarHBondContact O-N 3.27Å; W287-L290 PolarHBondContact O-N 3.14Å; W287-L290 VanDerWaalsContact O-N 3.11Å; L290-H292 PolarHBondContact O-N 3.35Å; L290-M293 HydrophobicContact CD2-SD 3.94Å; L290-M293 WeakPolarHBondContact O-CB 3.42Å; L290-M293 PolarHBondContact O-N 3.3Å; L290-V298 HydrophobicContact CD2-CG1 4.44Å; L290-K301 HydrophobicContact CD2-CB 4.01Å; L290-K301 HydrophobicContact CD2-CG 3.84Å; L290-V302 HydrophobicContact CD1-CG2 3.45Å; L290-V302 VanDerWaalsContact CD1-CG2 3.45Å; L290-V302 HydrophobicContact CD2-CG2 4.04Å; L290-V302 HydrophobicContact CG-CG2 4.41Å; L290-H345 HydrophobicContact CD1-CB 4.04Å
291R97.3Very high94.3Very high5 Ų549 Ų492%0.01925%0.251CS..THydrogen-bonded Turntrans-53.2-33.3-166.162.5170.9-172.1-148-10114.7E140 Q249 E282 W287 Y553E140-R291 IonicContact OE1-CZ 3.35Å; E140-R291 IonicContact OE1-NE 3.29Å; E140-R291 IonicContact OE1-NH1 3.72Å; E140-R291 PolarHBondContact OE1-NH1 3.27Å; E140-R291 VanDerWaalsContact OE1-NH1 3.13Å; E140-R291 IonicContact OE2-CZ 3.91Å; E140-R291 IonicContact OE2-NE 3.52Å; E140-R291 IonicContact OE2-NH1 3.61Å; E140-R291 PolarHBondContact OE2-NH1 3.04Å; E140-R291 IonicContact OE2-NH2 3.3Å; Q249-R291 HydrophobicContact CB-CB 3.85Å; Q249-R291 VanDerWaalsContact CB-O 3.26Å; Q249-R291 WeakPolarHBondContact CB-O 3.25Å; Q249-R291 PolarHBondContact N-O 2.92Å; E282-R291 IonicContact OE1-CZ 3.4Å; E282-R291 IonicContact OE1-NH1 3.15Å; E282-R291 PolarHBondContact OE1-NH1 2.94Å; E282-R291 IonicContact OE1-NH2 3.76Å; E282-R291 PolarHBondContact OE1-NH2 3.06Å; W287-R291 HydrophobicContact CD2-CB 4.19Å; W287-R291 HydrophobicContact CZ2-CB 4.26Å; W287-R291 VanDerWaalsContact O-CB 3.27Å; W287-R291 WeakPolarHBondContact O-CB 3.37Å; W287-R291 WeakPolarHBondContact O-CG 3.3Å; W287-R291 PolarHBondContact O-N 3.41Å; R291-Y553 PolarHBondContact NH2-OH 2.7Å
292H97.4Very high94.3Very high26 Ų2647.3 Ų47.312%0.1224%0.242CC..THydrogen-bonded Turntrans-102.22.4-178.8-60.8-30.1000114Q249 L290 R550 Y553Q249-H292 PolarHBondContact OE1-CE1 3.4Å; Q249-H292 VanDerWaalsContact OE1-CE1 3.3Å; L290-H292 PolarHBondContact O-N 3.35Å; H292-R550 HydrophobicContact CB-CG 3.93Å; H292-Y553 AromaticContact CD2-CD2 3.85Å; H292-Y553 AromaticContact CD2-CG 3.95Å; H292-Y553 AromaticContact CE1-CD2 3.92Å; H292-Y553 AromaticContact NE2-CD2 3.11Å; H292-Y553 WeakPolarHBondContact NE2-CD2 3.43Å; H292-Y553 AromaticContact NE2-CE2 3.39Å; H292-Y553 WeakPolarHBondContact NE2-CE2 3.4Å; H292-Y553 AromaticContact NE2-CG 3.63Å
293M97Very high94Very high53 Ų5347.9 Ų47.926%0.26125%0.248SC..SBendtrans-77.8150.4176-65.3-17361.200111T247 F248 L290 D297 V298 K301T247-M293 CarbonylContact C-O 3.54Å; T247-M293 VanDerWaalsContact CA-O 3.28Å; T247-M293 WeakPolarHBondContact CA-O 3.42Å; F248-M293 PolarHBondContact N-O 3.29Å; L290-M293 HydrophobicContact CD2-SD 3.94Å; L290-M293 WeakPolarHBondContact O-CB 3.42Å; L290-M293 PolarHBondContact O-N 3.3Å; M293-D297 HydrophobicContact CE-CB 3.87Å; M293-V298 HydrophobicContact CB-CG2 4.15Å; M293-K301 HydrophobicContact CE-CB 3.87Å; M293-K301 HydrophobicContact CE-CD 4.35Å; M293-K301 HydrophobicContact CE-CG 3.95Å; M293-K301 HydrophobicContact SD-CB 4.28Å; M293-K301 HydrophobicContact SD-CG 3.91Å
294H97.3Very high94.1Very high26 Ų2647.8 Ų47.812%0.1225%0.245CC..BIsolated β-bridgetrans-68.5138.6172.8-167.3-91.9000110.5A296 D297 V298 Y471 S474H294-A296 WeakPolarHBondContact ND1-CB 3.48Å; H294-A296 PolarHBondContact ND1-N 3.44Å; H294-A296 PolarHBondContact O-N 3.15Å; H294-A296 VanDerWaalsContact O-N 3.07Å; H294-D297 PolarHBondContact O-N 2.84Å; H294-V298 PolarHBondContact O-N 3.1Å; H294-Y471 HydrophobicContact CB-CD2 4.17Å; H294-Y471 HydrophobicContact CB-CE2 3.62Å; H294-Y471 AromaticContact CD2-CD2 3.66Å; H294-Y471 AromaticContact CD2-CG 3.98Å; H294-Y471 AromaticContact CE1-CD1 3.68Å; H294-Y471 AromaticContact CE1-CG 3.7Å; H294-Y471 AromaticContact CG-CD2 3.67Å; H294-Y471 AromaticContact CG-CE2 3.57Å; H294-Y471 AromaticContact CG-CZ 3.86Å; H294-Y471 AromaticContact ND1-CD1 3.76Å; H294-Y471 AromaticContact ND1-CD2 3.95Å; H294-Y471 AromaticContact ND1-CE1 3.67Å; H294-Y471 AromaticContact ND1-CE2 3.86Å; H294-Y471 AromaticContact ND1-CG 3.9Å; H294-Y471 AromaticContact ND1-CZ 3.72Å; H294-Y471 AromaticContact NE2-CD2 3.93Å; H294-Y471 AromaticContact NE2-CG 3.73Å; H294-S474 PolarHBondContact CD2-OG 3.49Å; H294-S474 PolarHBondContact NE2-OG 3.02Å
295I95.9Very high94Very high9 Ų949 Ų495%0.04625%0.251CS..Hα-helixtrans-55.1-32.9-174.4-172.163.3000113.3L246 F248 M251 D297 V298 A349 C352 M353L246-I295 HydrophobicContact CB-CG2 4.24Å; L246-I295 WeakPolarHBondContact O-CB 3.45Å; L246-I295 WeakPolarHBondContact O-CG2 3.5Å; L246-I295 PolarHBondContact O-N 3.38Å; F248-I295 HydrophobicContact CD2-CD1 3.93Å; F248-I295 HydrophobicContact CE2-CD1 4.34Å; M251-I295 HydrophobicContact CE-CG1 4.47Å; M251-I295 HydrophobicContact CE-CG2 4.44Å; M251-I295 HydrophobicContact SD-CB 3.69Å; M251-I295 HydrophobicContact SD-CD1 4.25Å; M251-I295 HydrophobicContact SD-CG1 3.71Å; M251-I295 HydrophobicContact SD-CG2 3.77Å; I295-D297 PolarHBondContact O-N 2.63Å; I295-V298 HydrophobicContact CD1-CB 4.39Å; I295-V298 HydrophobicContact CD1-CG2 4.45Å; I295-V298 PolarHBondContact O-N 2.91Å; I295-A349 HydrophobicContact CD1-CB 4.09Å; I295-C352 HydrophobicContact CD1-CB 4.19Å; I295-M353 HydrophobicContact CB-SD 4.45Å; I295-M353 HydrophobicContact CD1-CG 4.46Å; I295-M353 HydrophobicContact CG1-CG 3.93Å; I295-M353 HydrophobicContact CG1-SD 3.51Å; I295-M353 VanDerWaalsContact CG1-SD 3.51Å; I295-M353 HydrophobicContact CG2-SD 4.07Å
296A93.9Very high93.8Very high60 Ų6042 Ų4250%0.49622%0.218SC..Hα-helixtrans-57.6-29.9176.800000113.3H294 Y471H294-A296 WeakPolarHBondContact ND1-CB 3.48Å; H294-A296 PolarHBondContact ND1-N 3.44Å; H294-A296 PolarHBondContact O-N 3.15Å; H294-A296 VanDerWaalsContact O-N 3.07Å; A296-Y471 HydrophobicContact CB-CE1 3.82Å
297D95.6Very high93.5Very high64 Ų6446.9 Ų46.934%0.34224%0.236SC..Hα-helixtrans-98.6-19.3-177.6-66-10.8000112.9M293 H294 I295 T299 K300 K301 Y471M293-D297 HydrophobicContact CE-CB 3.87Å; H294-D297 PolarHBondContact O-N 2.84Å; I295-D297 PolarHBondContact O-N 2.63Å; D297-T299 PolarHBondContact O-N 3.21Å; D297-K300 PolarHBondContact O-N 3.03Å; D297-K301 WeakPolarHBondContact O-CB 3.29Å; D297-K301 PolarHBondContact O-N 3.26Å; D297-Y471 PolarHBondContact OD1-OH 3.41Å; D297-Y471 PolarHBondContact OD2-OH 3.29Å
298V95.4Very high93.1Very high0 Ų050 Ų500%026%0.255CS..Hα-helixtrans-58.3-54.4-172.8171.90000111.1F248 L290 M293 H294 I295 K300 K301 V302 A349F248-V298 HydrophobicContact CB-CG2 3.78Å; F248-V298 HydrophobicContact CD1-CG1 4.11Å; F248-V298 HydrophobicContact CD1-CG2 4.3Å; F248-V298 HydrophobicContact CD2-CG1 4.08Å; F248-V298 HydrophobicContact CD2-CG2 4.14Å; F248-V298 HydrophobicContact CE1-CG1 4Å; F248-V298 HydrophobicContact CE2-CG1 3.99Å; F248-V298 HydrophobicContact CG-CG1 4.13Å; F248-V298 HydrophobicContact CG-CG2 3.83Å; F248-V298 HydrophobicContact CZ-CG1 3.92Å; L290-V298 HydrophobicContact CD2-CG1 4.44Å; M293-V298 HydrophobicContact CB-CG2 4.15Å; H294-V298 PolarHBondContact O-N 3.1Å; I295-V298 HydrophobicContact CD1-CB 4.39Å; I295-V298 HydrophobicContact CD1-CG2 4.45Å; I295-V298 PolarHBondContact O-N 2.91Å; V298-K300 VanDerWaalsContact C-N 3.3Å; V298-K300 PolarHBondContact O-N 3.26Å; V298-K301 PolarHBondContact O-N 3.49Å; V298-V302 HydrophobicContact CG1-CG2 4.02Å; V298-V302 WeakPolarHBondContact O-CG2 3.35Å; V298-V302 PolarHBondContact O-N 3.43Å; V298-A349 HydrophobicContact CG1-CB 3.99Å
299T90.8Very high92.7Very high65 Ų6548.5 Ų48.540%0.39924%0.244SC..Hα-helixtrans-58.9-43.9-177.9-55.60000111.4D297 K301 V302 T303 L346D297-T299 PolarHBondContact O-N 3.21Å; T299-K301 VanDerWaalsContact C-N 3.32Å; T299-K301 PolarHBondContact O-N 3.22Å; T299-V302 PolarHBondContact O-N 3.01Å; T299-T303 PolarHBondContact O-N 3.05Å; T299-T303 PolarHBondContact O-OG1 3.41Å; T299-T303 VanDerWaalsContact O-OG1 3.06Å; T299-L346 HydrophobicContact CG2-CD2 4.27Å
300K91.3Very high92.1Very high166 Ų16643.5 Ų43.572%0.72222%0.221SC*.Hα-helixtrans-60.5-44.2176.7-177.4-177.4176.5-174.50110.9D297 V298 T303 E304D297-K300 PolarHBondContact O-N 3.03Å; V298-K300 VanDerWaalsContact C-N 3.3Å; V298-K300 PolarHBondContact O-N 3.26Å; K300-T303 PolarHBondContact O-N 3.29Å; K300-E304 WeakPolarHBondContact O-CB 3.25Å; K300-E304 PolarHBondContact O-N 2.72Å
301K94.3Very high91.5Very high63 Ų6348.4 Ų48.427%0.27424%0.244SC..Hα-helixtrans-66.4-43.4-179.8-171.267.3-170.1166.60112.2L290 M293 D297 V298 T299 T303 E304 L305L290-K301 HydrophobicContact CD2-CB 4.01Å; L290-K301 HydrophobicContact CD2-CG 3.84Å; M293-K301 HydrophobicContact CE-CB 3.87Å; M293-K301 HydrophobicContact CE-CD 4.35Å; M293-K301 HydrophobicContact CE-CG 3.95Å; M293-K301 HydrophobicContact SD-CB 4.28Å; M293-K301 HydrophobicContact SD-CG 3.91Å; D297-K301 WeakPolarHBondContact O-CB 3.29Å; D297-K301 PolarHBondContact O-N 3.26Å; V298-K301 PolarHBondContact O-N 3.49Å; T299-K301 VanDerWaalsContact C-N 3.32Å; T299-K301 PolarHBondContact O-N 3.22Å; K301-T303 PolarHBondContact O-N 2.99Å; K301-E304 WeakPolarHBondContact CD-OE2 3Å; K301-E304 IonicContact NZ-OE2 3.64Å; K301-E304 PolarHBondContact NZ-OE2 3.19Å; K301-E304 PolarHBondContact O-N 3.28Å; K301-L305 HydrophobicContact CG-CD1 4.11Å; K301-L305 HydrophobicContact CG-CG 4.46Å; K301-L305 WeakPolarHBondContact O-CB 3.45Å; K301-L305 VanDerWaalsContact O-CG 3.31Å; K301-L305 WeakPolarHBondContact O-CG 3.39Å; K301-L305 PolarHBondContact O-N 3.01Å
302V91.3Very high91Very high0 Ų051.9 Ų51.90%027%0.269CS..Hα-helixtrans-61.8-44.9177.9-177.70000110.3L290 V298 T299 L305 L306 Y342 H345 L346L290-V302 HydrophobicContact CD1-CG2 3.45Å; L290-V302 VanDerWaalsContact CD1-CG2 3.45Å; L290-V302 HydrophobicContact CD2-CG2 4.04Å; L290-V302 HydrophobicContact CG-CG2 4.41Å; V298-V302 HydrophobicContact CG1-CG2 4.02Å; V298-V302 WeakPolarHBondContact O-CG2 3.35Å; V298-V302 PolarHBondContact O-N 3.43Å; T299-V302 PolarHBondContact O-N 3.01Å; V302-L305 PolarHBondContact O-N 2.7Å; V302-L306 WeakPolarHBondContact O-CB 3.45Å; V302-L306 PolarHBondContact O-N 3.16Å; V302-Y342 HydrophobicContact CG1-CD1 3.9Å; V302-H345 HydrophobicContact CG2-CB 4.27Å; V302-L346 HydrophobicContact CB-CD2 3.91Å; V302-L346 HydrophobicContact CB-CG 4.41Å; V302-L346 HydrophobicContact CG1-CD1 4.27Å; V302-L346 HydrophobicContact CG1-CD2 3.66Å; V302-L346 HydrophobicContact CG1-CG 3.62Å
303T87.9Confident90.3Very high52 Ų5254.5 Ų54.532%0.31928%0.28SS..Hα-helixtrans-64.6-39.9176.3-57.70000112.3T299 K300 K301 L306 R307T299-T303 PolarHBondContact O-N 3.05Å; T299-T303 PolarHBondContact O-OG1 3.41Å; T299-T303 VanDerWaalsContact O-OG1 3.06Å; K300-T303 PolarHBondContact O-N 3.29Å; K301-T303 PolarHBondContact O-N 2.99Å; T303-L306 PolarHBondContact O-N 3.21Å; T303-R307 WeakPolarHBondContact O-CB 3.28Å; T303-R307 PolarHBondContact O-N 3.13Å
304E90.6Very high89.1Confident85 Ų8563.3 Ų63.340%0.39731%0.31SS..Hα-helixtrans-61.4-46.8174.8-177.3-168.7-162.400111.8K300 K301 R307 T308K300-E304 WeakPolarHBondContact O-CB 3.25Å; K300-E304 PolarHBondContact O-N 2.72Å; K301-E304 WeakPolarHBondContact CD-OE2 3Å; K301-E304 IonicContact NZ-OE2 3.64Å; K301-E304 PolarHBondContact NZ-OE2 3.19Å; K301-E304 PolarHBondContact O-N 3.28Å; E304-R307 PolarHBondContact O-N 3.48Å; E304-T308 PolarHBondContact O-N 2.98Å; E304-T308 PolarHBondContact O-OG1 3.24Å
305L90.8Very high87.6Confident31 Ų3163.5 Ų63.516%0.16231%0.312CS..Hα-helixtrans-65.3-40.6178.7-71.2174.4000111.3L286 K301 V302 T308 F309 Y342L286-L305 HydrophobicContact CD1-CD1 3.41Å; L286-L305 VanDerWaalsContact CD1-CD1 3.41Å; K301-L305 HydrophobicContact CG-CD1 4.11Å; K301-L305 HydrophobicContact CG-CG 4.46Å; K301-L305 WeakPolarHBondContact O-CB 3.45Å; K301-L305 VanDerWaalsContact O-CG 3.31Å; K301-L305 WeakPolarHBondContact O-CG 3.39Å; K301-L305 PolarHBondContact O-N 3.01Å; V302-L305 PolarHBondContact O-N 2.7Å; L305-T308 PolarHBondContact O-N 2.85Å; L305-F309 WeakPolarHBondContact O-CB 3.24Å; L305-F309 PolarHBondContact O-N 2.84Å; L305-Y342 HydrophobicContact CB-CE1 3.75Å; L305-Y342 PolarHBondContact O-OH 3.26Å
306L87.1Confident85.7Confident1 Ų168.6 Ų68.61%0.00535%0.348CS..Hα-helixtrans-61.7-45.1174.7177.864.6000111.6V302 T303 F309 C310 A320 L325 L339 Y342V302-L306 WeakPolarHBondContact O-CB 3.45Å; V302-L306 PolarHBondContact O-N 3.16Å; T303-L306 PolarHBondContact O-N 3.21Å; L306-F309 WeakPolarHBondContact O-CB 2.79Å; L306-F309 PolarHBondContact O-N 3.23Å; L306-C310 PolarHBondContact O-N 3.17Å; L306-C310 PolarHBondContact O-SG 2.85Å; L306-A320 HydrophobicContact CD2-CB 4.2Å; L306-L325 HydrophobicContact CD1-CD1 3.79Å; L306-L325 HydrophobicContact CD2-CD1 3.38Å; L306-L325 HydrophobicContact CG-CD1 4.24Å; L306-L339 HydrophobicContact CD1-CD2 4.01Å; L306-Y342 HydrophobicContact CB-CD1 3.86Å; L306-Y342 HydrophobicContact CB-CE1 4Å; L306-Y342 HydrophobicContact CB-CG 4.34Å; L306-Y342 HydrophobicContact CD1-CD1 4.31Å; L306-Y342 HydrophobicContact CD1-CD2 3.95Å; L306-Y342 HydrophobicContact CD1-CE2 4.39Å; L306-Y342 HydrophobicContact CD1-CG 3.93Å
307R85.6Confident84Confident116 Ų11667.7 Ų67.744%0.43834%0.337SS..Hα-helixtrans-60-47.6176.2-179.4-17864.596.2-1.5111.1T303 E304 F309 C310 E311T303-R307 WeakPolarHBondContact O-CB 3.28Å; T303-R307 PolarHBondContact O-N 3.13Å; E304-R307 PolarHBondContact O-N 3.48Å; R307-F309 VanDerWaalsContact C-N 3.27Å; R307-F309 PolarHBondContact O-N 3.34Å; R307-C310 WeakPolarHBondContact O-CB 3.43Å; R307-C310 PolarHBondContact O-N 3.5Å; R307-E311 HydrophobicContact CG-CG 4.45Å; R307-E311 VanDerWaalsContact CG-OE1 3.31Å; R307-E311 WeakPolarHBondContact CG-OE1 3.43Å; R307-E311 IonicContact CZ-OE1 3.26Å; R307-E311 IonicContact NE-OE1 3.1Å; R307-E311 IonicContact NH1-OE1 2.73Å; R307-E311 PolarHBondContact NH1-OE1 3.38Å; R307-E311 IonicContact NH1-OE2 3.91Å; R307-E311 WeakPolarHBondContact O-CG 3.1Å; R307-E311 PolarHBondContact O-N 3.03Å
308T88.2Confident82Confident69 Ų6972 Ų7242%0.42336%0.36SS..Hα-helixtrans-59.6-40.7178-53.30000111.2E304 L305 S312E304-T308 PolarHBondContact O-N 2.98Å; E304-T308 PolarHBondContact O-OG1 3.24Å; L305-T308 PolarHBondContact O-N 2.85Å; T308-S312 WeakPolarHBondContact O-CB 3.47Å; T308-S312 PolarHBondContact O-N 2.95Å
309F86.5Confident80Confident23 Ų2378.2 Ų78.210%0.10139%0.393CS..Hα-helixtrans-61.1-50.7174.2176.3-94.5000111.4L305 L306 R307 E311 S312 K313 Y335 E338 L339 Y342L305-F309 WeakPolarHBondContact O-CB 3.24Å; L305-F309 PolarHBondContact O-N 2.84Å; L306-F309 WeakPolarHBondContact O-CB 2.79Å; L306-F309 PolarHBondContact O-N 3.23Å; R307-F309 VanDerWaalsContact C-N 3.27Å; R307-F309 PolarHBondContact O-N 3.34Å; F309-E311 PolarHBondContact O-N 3.06Å; F309-S312 PolarHBondContact O-N 3.26Å; F309-S312 PolarHBondContact O-OG 3.29Å; F309-K313 HydrophobicContact CE1-CG 4.38Å; F309-K313 HydrophobicContact CE2-CG 4.44Å; F309-K313 HydrophobicContact CZ-CG 4.21Å; F309-K313 WeakPolarHBondContact O-CG 3.24Å; F309-K313 PolarHBondContact O-N 3.41Å; F309-Y335 HydrophobicContact CZ-CD1 4.17Å; F309-Y335 HydrophobicContact CZ-CG 4.05Å; F309-E338 HydrophobicContact CE2-CB 4.25Å; F309-E338 HydrophobicContact CE2-CG 4.46Å; F309-E338 VanDerWaalsContact CE2-OE2 3.26Å; F309-E338 WeakPolarHBondContact CE2-OE2 3.47Å; F309-E338 HydrophobicContact CZ-CB 4.14Å; F309-E338 WeakPolarHBondContact CZ-OE2 3.09Å; F309-L339 HydrophobicContact CE1-CD2 4.17Å; F309-Y342 HydrophobicContact CB-CE2 4.35Å; F309-Y342 HydrophobicContact CG-CE2 4.28Å
310C82.9Confident78.3Confident0 Ų075.8 Ų75.80%038%0.379CS..Hα-helixtrans-56.4-47.4176.7-69.50000112.7L306 R307 S312 K313 R314 M315 M328L306-C310 PolarHBondContact O-N 3.17Å; L306-C310 PolarHBondContact O-SG 2.85Å; R307-C310 WeakPolarHBondContact O-CB 3.43Å; R307-C310 PolarHBondContact O-N 3.5Å; C310-S312 VanDerWaalsContact C-N 3.35Å; C310-S312 PolarHBondContact O-N 2.85Å; C310-K313 CarbonylContact O-C 3.5Å; C310-K313 PolarHBondContact O-N 3.42Å; C310-K313 VanDerWaalsContact O-N 3.17Å; C310-R314 PolarHBondContact O-N 3.28Å; C310-M315 HydrophobicContact CB-CB 4.02Å; C310-M315 WeakPolarHBondContact O-CB 3.43Å; C310-M315 PolarHBondContact O-N 3.01Å; C310-M328 WeakPolarHBondContact SG-CE 3.37Å
311E83.8Confident76.7Confident102 Ų10272.6 Ų72.648%0.47737%0.37SS..Hα-helixtrans-60.2-44.2178.1-73.5171.9-17000111.2R307 F309 K313 R314R307-E311 HydrophobicContact CG-CG 4.45Å; R307-E311 VanDerWaalsContact CG-OE1 3.31Å; R307-E311 WeakPolarHBondContact CG-OE1 3.43Å; R307-E311 IonicContact CZ-OE1 3.26Å; R307-E311 IonicContact NE-OE1 3.1Å; R307-E311 IonicContact NH1-OE1 2.73Å; R307-E311 PolarHBondContact NH1-OE1 3.38Å; R307-E311 IonicContact NH1-OE2 3.91Å; R307-E311 WeakPolarHBondContact O-CG 3.1Å; R307-E311 PolarHBondContact O-N 3.03Å; F309-E311 PolarHBondContact O-N 3.06Å; E311-K313 PolarHBondContact O-N 2.95Å; E311-R314 PolarHBondContact O-N 2.73Å
312S86.7Confident75Confident79 Ų7973.2 Ų73.255%0.55238%0.376SS*.Hα-helixtrans-60.3-30.5177.781.80000113.1T308 F309 C310 R314T308-S312 WeakPolarHBondContact O-CB 3.47Å; T308-S312 PolarHBondContact O-N 2.95Å; F309-S312 PolarHBondContact O-N 3.26Å; F309-S312 PolarHBondContact O-OG 3.29Å; C310-S312 VanDerWaalsContact C-N 3.35Å; C310-S312 PolarHBondContact O-N 2.85Å; S312-R314 VanDerWaalsContact C-N 3.34Å
313K83.5Confident73.6Confident80 Ų8082 Ų8235%0.34841%0.414SS..THydrogen-bonded Turntrans-93.710.9177.8-54.4-49.8-175.91770112.9F309 C310 E311 M315 Y335F309-K313 HydrophobicContact CE1-CG 4.38Å; F309-K313 HydrophobicContact CE2-CG 4.44Å; F309-K313 HydrophobicContact CZ-CG 4.21Å; F309-K313 WeakPolarHBondContact O-CG 3.24Å; F309-K313 PolarHBondContact O-N 3.41Å; C310-K313 CarbonylContact O-C 3.5Å; C310-K313 PolarHBondContact O-N 3.42Å; C310-K313 VanDerWaalsContact O-N 3.17Å; E311-K313 PolarHBondContact O-N 2.95Å; K313-M315 VanDerWaalsContact C-N 3.34Å; K313-M315 HydrophobicContact CB-CG 4.43Å; K313-M315 PolarHBondContact O-N 2.8Å; K313-Y335 HydrophobicContact CB-CE2 4.44Å; K313-Y335 HydrophobicContact CD-CE1 4.34Å; K313-Y335 HydrophobicContact CD-CE2 4.33Å; K313-Y335 HydrophobicContact CG-CE2 4.15Å
314R72.1Confident72.5Confident238 Ų23882 Ų8290%0.89841%0.412SS*.THydrogen-bonded Turntrans57.541.6-179.2-57.6-179.9179.2179-0.8113.1C310 E311 S312C310-R314 PolarHBondContact O-N 3.28Å; E311-R314 PolarHBondContact O-N 2.73Å; S312-R314 VanDerWaalsContact C-N 3.34Å
315M65.6Low71.6Confident31 Ų3178 Ų7815%0.15339%0.393CS..  trans-91.3131.7172.1-63.2-171.863.500110.9C310 K313 T317 M328 M332C310-M315 HydrophobicContact CB-CB 4.02Å; C310-M315 WeakPolarHBondContact O-CB 3.43Å; C310-M315 PolarHBondContact O-N 3.01Å; K313-M315 VanDerWaalsContact C-N 3.34Å; K313-M315 HydrophobicContact CB-CG 4.43Å; K313-M315 PolarHBondContact O-N 2.8Å; M315-T317 HydrophobicContact CE-CG2 4.44Å; M315-T317 PolarHBondContact O-N 2.8Å; M315-M328 HydrophobicContact CE-CE 3.78Å; M315-M328 HydrophobicContact CE-CG 4.18Å; M315-M328 HydrophobicContact SD-CE 4.12Å; M315-M332 HydrophobicContact CE-CE 3.65Å; M315-M332 HydrophobicContact CE-SD 4.04Å; M315-M332 HydrophobicContact CG-CE 3.55Å; M315-M332 HydrophobicContact CG-SD 4.27Å; M315-M332 HydrophobicContact SD-CE 3.38Å; M315-M332 WeakPolarHBondContact SD-CE 3.11Å; M315-M332 HydrophobicContact SD-SD 3.41Å
316S56.8Low70.5Confident115 Ų11578.2 Ų78.280%0.80440%0.398SS*.  trans-83.7105.8165.9-167.90000108.5
317T57.7Low69.6Low42 Ų4283.4 Ų83.426%0.25842%0.422SS..  trans-132.197168.650.80000108.4M315 N319M315-T317 HydrophobicContact CE-CG2 4.44Å; M315-T317 PolarHBondContact O-N 2.8Å; T317-N319 PolarHBondContact O-N 2.98Å
318D53.2Low69Low154 Ų15478.3 Ų78.382%0.82440%0.403SS*.SBendtrans-68.4-14.7178.8-89.6-24.7000112.8
319N53.4Low68.2Low131 Ų13176.2 Ų76.270%0.70139%0.389SS*.SBendtrans-157.393.4172.3-77.1-53.5000109.7T317 N321T317-N319 PolarHBondContact O-N 2.98Å; N319-N321 PolarHBondContact O-N 3.28Å
320A54.2Low67.7Low13 Ų1381.4 Ų81.411%0.10741%0.412CS..  trans-83.999.1177.900000111L306L306-A320 HydrophobicContact CD2-CB 4.2Å
321N58.4Low67.3Low99 Ų9989 Ų8953%0.52945%0.445SS..  trans-105.6166.7174.4-76.1-18.1000112.2N319 K323 D324 L325N319-N321 PolarHBondContact O-N 3.28Å; N321-K323 PolarHBondContact O-N 3.44Å; N321-K323 VanDerWaalsContact O-N 3.09Å; N321-D324 PolarHBondContact N-OD2 2.97Å; N321-D324 WeakPolarHBondContact O-CA 3.42Å; N321-D324 WeakPolarHBondContact O-CB 3.25Å; N321-D324 PolarHBondContact O-N 3.37Å; N321-L325 PolarHBondContact O-N 2.95Å
322I58.5Low66.8Low76 Ų7686 Ų8639%0.3943%0.431SS..Hα-helixtrans-49.9-37.7176.3-66.9168.9000112.1D324 L325 L346I322-D324 VanDerWaalsContact C-N 3.26Å; I322-D324 PolarHBondContact O-N 2.89Å; I322-L325 VanDerWaalsContact O-CB 3.29Å; I322-L325 WeakPolarHBondContact O-CB 3.44Å; I322-L325 PolarHBondContact O-N 3.35Å; I322-L346 HydrophobicContact CD1-CB 3.83Å; I322-L346 HydrophobicContact CD1-CD1 4.35Å; I322-L346 HydrophobicContact CD1-CG 4.46Å; I322-L346 HydrophobicContact CG1-CB 3.91Å; I322-L346 HydrophobicContact CG1-CD1 3.56Å; I322-L346 HydrophobicContact CG1-CG 4.19Å
323K62.1Low66.4Low184 Ų18486.2 Ų86.280%0.843%0.431SS*.Hα-helixtrans-65.3-28.6178.5-68.6-176.3179.3177.80112.9N321N321-K323 PolarHBondContact O-N 3.44Å; N321-K323 VanDerWaalsContact O-N 3.09Å
324D65.1Low66.4Low52 Ų5288.7 Ų88.728%0.27844%0.443SS..Hα-helixtrans-81.6-25.5177-53.9-51.1000111.5N321 I322 S326 Q327 M328N321-D324 PolarHBondContact N-OD2 2.97Å; N321-D324 WeakPolarHBondContact O-CA 3.42Å; N321-D324 WeakPolarHBondContact O-CB 3.25Å; N321-D324 PolarHBondContact O-N 3.37Å; I322-D324 VanDerWaalsContact C-N 3.26Å; I322-D324 PolarHBondContact O-N 2.89Å; D324-S326 PolarHBondContact O-N 3.1Å; D324-Q327 CarbonylContact O-C 3.55Å; D324-Q327 WeakPolarHBondContact O-CA 3.48Å; D324-Q327 WeakPolarHBondContact O-CB 3.33Å; D324-Q327 PolarHBondContact O-N 2.86Å; D324-M328 VanDerWaalsContact O-CG 3.27Å; D324-M328 WeakPolarHBondContact O-CG 3.29Å; D324-M328 PolarHBondContact O-N 2.82Å
325L70.8Confident67Low2 Ų280.3 Ų80.31%0.0141%0.412CS..Hα-helixtrans-61.3-42.1-178.1-14499000112.4L306 N321 I322 Q327 M328 L329 L339 S343L306-L325 HydrophobicContact CD1-CD1 3.79Å; L306-L325 HydrophobicContact CD2-CD1 3.38Å; L306-L325 HydrophobicContact CG-CD1 4.24Å; N321-L325 PolarHBondContact O-N 2.95Å; I322-L325 VanDerWaalsContact O-CB 3.29Å; I322-L325 WeakPolarHBondContact O-CB 3.44Å; I322-L325 PolarHBondContact O-N 3.35Å; L325-Q327 VanDerWaalsContact C-N 3.26Å; L325-Q327 PolarHBondContact O-N 3.49Å; L325-M328 PolarHBondContact O-N 2.91Å; L325-L329 WeakPolarHBondContact O-CB 3.41Å; L325-L329 WeakPolarHBondContact O-CG 2.92Å; L325-L329 PolarHBondContact O-N 3.06Å; L325-L339 VanDerWaalsContact CD2-O 3.28Å; L325-L339 WeakPolarHBondContact CD2-O 3.37Å; L325-S343 VanDerWaalsContact CD2-CA 3.5Å
326S67.8Low67.9Low36 Ų3684.3 Ų84.325%0.25243%0.43SS..Hα-helixtrans-63.2-30.1173.6-73.60000112.9D324D324-S326 PolarHBondContact O-N 3.1Å
327Q69.7Low69.2Low109 Ų10986.5 Ų86.551%0.50943%0.425SS..Hα-helixtrans-79.2-37.6174-60.9-171.95.400111.7D324 L325 K330 K331D324-Q327 CarbonylContact O-C 3.55Å; D324-Q327 WeakPolarHBondContact O-CA 3.48Å; D324-Q327 WeakPolarHBondContact O-CB 3.33Å; D324-Q327 PolarHBondContact O-N 2.86Å; L325-Q327 VanDerWaalsContact C-N 3.26Å; L325-Q327 PolarHBondContact O-N 3.49Å; Q327-K330 WeakPolarHBondContact O-CB 3.45Å; Q327-K330 PolarHBondContact O-N 3.02Å; Q327-K331 PolarHBondContact O-N 2.75Å; Q327-K331 VanDerWaalsContact O-N 3.16Å
328M71.2Confident70.5Confident10 Ų1088.1 Ų88.15%0.04943%0.43CS..Hα-helixtrans-62.9-41.4175.7-70169.66600111.6C310 M315 D324 L325 K330 K331 M332 L339C310-M328 WeakPolarHBondContact SG-CE 3.37Å; M315-M328 HydrophobicContact CE-CE 3.78Å; M315-M328 HydrophobicContact CE-CG 4.18Å; M315-M328 HydrophobicContact SD-CE 4.12Å; D324-M328 VanDerWaalsContact O-CG 3.27Å; D324-M328 WeakPolarHBondContact O-CG 3.29Å; D324-M328 PolarHBondContact O-N 2.82Å; L325-M328 PolarHBondContact O-N 2.91Å; M328-K330 PolarHBondContact O-N 3.12Å; M328-K331 PolarHBondContact O-N 3.35Å; M328-M332 PolarHBondContact O-N 3.35Å; M328-L339 HydrophobicContact CB-CD1 4.1Å; M328-L339 HydrophobicContact CE-CD2 3.9Å
329L73.1Confident72Confident25 Ų2580.8 Ų80.813%0.13139%0.391CS..Hα-helixtrans-55.5-35.6173.3-77.9167.9000112.4L325 Q336 L339L325-L329 WeakPolarHBondContact O-CB 3.41Å; L325-L329 WeakPolarHBondContact O-CG 2.92Å; L325-L329 PolarHBondContact O-N 3.06Å; L329-Q336 HydrophobicContact CD2-CB 4.33Å; L329-Q336 HydrophobicContact CD2-CG 3.8Å; L329-L339 HydrophobicContact CD2-CB 3.54Å; L329-L339 HydrophobicContact CD2-CD1 4.26Å; L329-L339 HydrophobicContact CG-CB 4.11Å; L329-L339 HydrophobicContact CG-CD1 4.47Å
330K74.1Confident73.5Confident132 Ų13276.1 Ų76.157%0.57437%0.369SS*.Hα-helixtrans-74.2-36.5175.6-59-175.1-154-165.20112.8I270 Q327 M328 M332I270-K330 HydrophobicContact CD1-CD 3.49Å; I270-K330 VanDerWaalsContact CD1-CD 3.49Å; I270-K330 HydrophobicContact CD1-CG 3.92Å; I270-K330 VanDerWaalsContact CD1-NZ 3.26Å; I270-K330 HydrophobicContact CG1-CD 4.3Å; I270-K330 VanDerWaalsContact CG1-NZ 3.34Å; Q327-K330 WeakPolarHBondContact O-CB 3.45Å; Q327-K330 PolarHBondContact O-N 3.02Å; M328-K330 PolarHBondContact O-N 3.12Å; K330-M332 VanDerWaalsContact C-N 3.35Å
331K75.4Confident75.2Confident159 Ų15977.8 Ų77.869%0.69138%0.375SS*.Hα-helixtrans-76.3-23.3-177.2-71.6-179.3178.1178.10112.5Q327 M328Q327-K331 PolarHBondContact O-N 2.75Å; Q327-K331 VanDerWaalsContact O-N 3.16Å; M328-K331 PolarHBondContact O-N 3.35Å
332M73.3Confident76.7Confident38 Ų3874.5 Ų74.519%0.18736%0.355CS..  trans-13874.8-173.3-63.1-167.3178.100112.4M315 M328 K330 Q334 Y335M315-M332 HydrophobicContact CE-CE 3.65Å; M315-M332 HydrophobicContact CE-SD 4.04Å; M315-M332 HydrophobicContact CG-CE 3.55Å; M315-M332 HydrophobicContact CG-SD 4.27Å; M315-M332 HydrophobicContact SD-CE 3.38Å; M315-M332 WeakPolarHBondContact SD-CE 3.11Å; M315-M332 HydrophobicContact SD-SD 3.41Å; M328-M332 PolarHBondContact O-N 3.35Å; K330-M332 VanDerWaalsContact C-N 3.35Å; M332-Q334 PolarHBondContact O-N 3.16Å; M332-Y335 HydrophobicContact CB-CD2 4.1Å; M332-Y335 HydrophobicContact CG-CD2 4.49Å; M332-Y335 PolarHBondContact O-N 3.11Å; M332-Y335 VanDerWaalsContact O-N 3.13Å; M332-Y335 HydrophobicContact SD-CD2 3.77Å; M332-Y335 HydrophobicContact SD-CE2 4.19Å
333P79.1Confident78.1Confident85 Ų8571.5 Ų71.555%0.55234%0.341SS*.G310 helixtrans-59.3-29.5176.624.7-33.9000112.5Y335 Q336P333-Y335 PolarHBondContact O-N 3.32Å; P333-Q336 VanDerWaalsContact O-CB 3.24Å; P333-Q336 WeakPolarHBondContact O-CB 3.29Å; P333-Q336 PolarHBondContact O-N 3.34Å
334Q83.7Confident79.4Confident131 Ų13162.9 Ų62.961%0.61230%0.304SS*.G310 helixtrans-64.6-23.7178.566.7-86.420.900114.3M332M332-Q334 PolarHBondContact O-N 3.16Å
335Y84.6Confident80.8Confident63 Ų6360.4 Ų60.425%0.24729%0.29CS..G310 helixtrans-110.118.2179.1-58.4-54.3000112.2F309 K313 M332 P333 K337 E338 L339F309-Y335 HydrophobicContact CZ-CD1 4.17Å; F309-Y335 HydrophobicContact CZ-CG 4.05Å; K313-Y335 HydrophobicContact CB-CE2 4.44Å; K313-Y335 HydrophobicContact CD-CE1 4.34Å; K313-Y335 HydrophobicContact CD-CE2 4.33Å; K313-Y335 HydrophobicContact CG-CE2 4.15Å; M332-Y335 HydrophobicContact CB-CD2 4.1Å; M332-Y335 HydrophobicContact CG-CD2 4.49Å; M332-Y335 PolarHBondContact O-N 3.11Å; M332-Y335 VanDerWaalsContact O-N 3.13Å; M332-Y335 HydrophobicContact SD-CD2 3.77Å; M332-Y335 HydrophobicContact SD-CE2 4.19Å; P333-Y335 PolarHBondContact O-N 3.32Å; Y335-K337 VanDerWaalsContact C-N 3.27Å; Y335-K337 PolarHBondContact O-N 2.98Å; Y335-E338 WeakPolarHBondContact CD1-OE2 3.15Å; Y335-E338 PolarHBondContact O-N 3.11Å; Y335-L339 WeakPolarHBondContact O-CB 3.29Å; Y335-L339 WeakPolarHBondContact O-CG 3.49Å; Y335-L339 PolarHBondContact O-N 2.68Å
336Q83.1Confident81.7Confident114 Ų11460.6 Ų60.653%0.53329%0.292SS..Hα-helixtrans-59.5-37.4-175.5-174.1178.9-6.500112.6L329 P333 S340L329-Q336 HydrophobicContact CD2-CB 4.33Å; L329-Q336 HydrophobicContact CD2-CG 3.8Å; P333-Q336 VanDerWaalsContact O-CB 3.24Å; P333-Q336 WeakPolarHBondContact O-CB 3.29Å; P333-Q336 PolarHBondContact O-N 3.34Å; Q336-S340 VanDerWaalsContact O-CB 3.24Å; Q336-S340 WeakPolarHBondContact O-CB 3.11Å; Q336-S340 PolarHBondContact O-N 3Å
337K84.8Confident82.9Confident161 Ų16161.7 Ų61.770%0.729%0.292SS*.Hα-helixtrans-62.6-53.1179-174.3-177.7177.2-173.70111.4Y335 S340 M341Y335-K337 VanDerWaalsContact C-N 3.27Å; Y335-K337 PolarHBondContact O-N 2.98Å; K337-S340 WeakPolarHBondContact O-CB 3.47Å; K337-S340 PolarHBondContact O-N 3.09Å; K337-M341 HydrophobicContact CG-CE 4.43Å; K337-M341 PolarHBondContact O-N 2.97Å
338E85.8Confident84.1Confident77 Ų7756.5 Ų56.536%0.3627%0.268SS..Hα-helixtrans-63.9-47.1-178.4-64.7159.8155.700110.9F309 Y335 S340 M341 Y342F309-E338 HydrophobicContact CE2-CB 4.25Å; F309-E338 HydrophobicContact CE2-CG 4.46Å; F309-E338 VanDerWaalsContact CE2-OE2 3.26Å; F309-E338 WeakPolarHBondContact CE2-OE2 3.47Å; F309-E338 HydrophobicContact CZ-CB 4.14Å; F309-E338 WeakPolarHBondContact CZ-OE2 3.09Å; Y335-E338 WeakPolarHBondContact CD1-OE2 3.15Å; Y335-E338 PolarHBondContact O-N 3.11Å; E338-S340 VanDerWaalsContact C-N 3.27Å; E338-S340 PolarHBondContact O-N 3.04Å; E338-M341 WeakPolarHBondContact O-CB 3.46Å; E338-M341 PolarHBondContact O-N 2.97Å; E338-M341 VanDerWaalsContact O-N 3.11Å; E338-Y342 VanDerWaalsContact O-CD2 3.23Å; E338-Y342 WeakPolarHBondContact O-CD2 3.39Å; E338-Y342 PolarHBondContact O-N 2.96Å
339L84.3Confident85.2Confident0 Ų056 Ų560%027%0.266CS..Hα-helixtrans-62.1-34.6176.1-70.6174.9000112.1L306 F309 L325 M328 L329 Y335 M341 Y342 S343L306-L339 HydrophobicContact CD1-CD2 4.01Å; F309-L339 HydrophobicContact CE1-CD2 4.17Å; L325-L339 VanDerWaalsContact CD2-O 3.28Å; L325-L339 WeakPolarHBondContact CD2-O 3.37Å; M328-L339 HydrophobicContact CB-CD1 4.1Å; M328-L339 HydrophobicContact CE-CD2 3.9Å; L329-L339 HydrophobicContact CD2-CB 3.54Å; L329-L339 HydrophobicContact CD2-CD1 4.26Å; L329-L339 HydrophobicContact CG-CB 4.11Å; L329-L339 HydrophobicContact CG-CD1 4.47Å; Y335-L339 WeakPolarHBondContact O-CB 3.29Å; Y335-L339 WeakPolarHBondContact O-CG 3.49Å; Y335-L339 PolarHBondContact O-N 2.68Å; L339-M341 VanDerWaalsContact C-N 3.33Å; L339-M341 PolarHBondContact O-N 2.97Å; L339-Y342 PolarHBondContact O-N 2.94Å; L339-S343 PolarHBondContact O-N 3.25Å
340S85.4Confident86.2Confident33 Ų3360 Ų6023%0.23128%0.284CS..Hα-helixtrans-64.1-38.1174.8-167.50000111.9R276 Q336 K337 E338 S343 T344R276-S340 PolarHBondContact NH1-OG 3.24Å; Q336-S340 VanDerWaalsContact O-CB 3.24Å; Q336-S340 WeakPolarHBondContact O-CB 3.11Å; Q336-S340 PolarHBondContact O-N 3Å; K337-S340 WeakPolarHBondContact O-CB 3.47Å; K337-S340 PolarHBondContact O-N 3.09Å; E338-S340 VanDerWaalsContact C-N 3.27Å; E338-S340 PolarHBondContact O-N 3.04Å; S340-S343 VanDerWaalsContact O-CB 3.29Å; S340-S343 WeakPolarHBondContact O-CB 3.28Å; S340-S343 PolarHBondContact O-N 2.81Å; S340-T344 PolarHBondContact O-N 3.08Å; S340-T344 PolarHBondContact O-OG1 2.79Å; S340-T344 VanDerWaalsContact O-OG1 3.07Å
341M88.7Confident87.2Confident48 Ų4854.6 Ų54.624%0.23626%0.264CS..Hα-helixtrans-61.4-48.9176.5-67.6163.7160.500111.1D284 K337 E338 L339 S343 T344 H345D284-M341 HydrophobicContact CB-CE 4.49Å; K337-M341 HydrophobicContact CG-CE 4.43Å; K337-M341 PolarHBondContact O-N 2.97Å; E338-M341 WeakPolarHBondContact O-CB 3.46Å; E338-M341 PolarHBondContact O-N 2.97Å; E338-M341 VanDerWaalsContact O-N 3.11Å; L339-M341 VanDerWaalsContact C-N 3.33Å; L339-M341 PolarHBondContact O-N 2.97Å; M341-S343 VanDerWaalsContact C-N 3.27Å; M341-S343 PolarHBondContact O-N 2.76Å; M341-T344 PolarHBondContact O-N 2.89Å; M341-T344 VanDerWaalsContact O-N 3.09Å; M341-H345 PolarHBondContact O-CD2 2.98Å; M341-H345 PolarHBondContact O-N 3.45Å
342Y90.1Very high88.1Confident30 Ų3047 Ų4712%0.11823%0.231CC..Hα-helixtrans-56.2-41.8174-73.5-75000112.3L286 V302 L305 L306 F309 E338 L339 T344 L346L286-Y342 HydrophobicContact CD1-CE1 4.37Å; L286-Y342 HydrophobicContact CD2-CD1 3.59Å; L286-Y342 HydrophobicContact CD2-CE1 3.78Å; L286-Y342 HydrophobicContact CD2-CG 4.1Å; V302-Y342 HydrophobicContact CG1-CD1 3.9Å; L305-Y342 HydrophobicContact CB-CE1 3.75Å; L305-Y342 PolarHBondContact O-OH 3.26Å; L306-Y342 HydrophobicContact CB-CD1 3.86Å; L306-Y342 HydrophobicContact CB-CE1 4Å; L306-Y342 HydrophobicContact CB-CG 4.34Å; L306-Y342 HydrophobicContact CD1-CD1 4.31Å; L306-Y342 HydrophobicContact CD1-CD2 3.95Å; L306-Y342 HydrophobicContact CD1-CE2 4.39Å; L306-Y342 HydrophobicContact CD1-CG 3.93Å; F309-Y342 HydrophobicContact CB-CE2 4.35Å; F309-Y342 HydrophobicContact CG-CE2 4.28Å; E338-Y342 VanDerWaalsContact O-CD2 3.23Å; E338-Y342 WeakPolarHBondContact O-CD2 3.39Å; E338-Y342 PolarHBondContact O-N 2.96Å; L339-Y342 PolarHBondContact O-N 2.94Å; Y342-T344 VanDerWaalsContact C-N 3.32Å; Y342-T344 PolarHBondContact O-N 3.07Å; Y342-L346 WeakPolarHBondContact O-CB 3.11Å; Y342-L346 WeakPolarHBondContact O-CG 3.15Å; Y342-L346 PolarHBondContact O-N 3.29Å; Y342-L346 VanDerWaalsContact O-N 3.09Å
343S87.3Confident89.2Confident13 Ų1347.6 Ų47.69%0.09123%0.234CC..Hα-helixtrans-59.8-44176.4-167.20000112.2L325 L339 S340 M341 H347L325-S343 VanDerWaalsContact CD2-CA 3.5Å; L339-S343 PolarHBondContact O-N 3.25Å; S340-S343 VanDerWaalsContact O-CB 3.29Å; S340-S343 WeakPolarHBondContact O-CB 3.28Å; S340-S343 PolarHBondContact O-N 2.81Å; M341-S343 VanDerWaalsContact C-N 3.27Å; M341-S343 PolarHBondContact O-N 2.76Å; S343-H347 WeakPolarHBondContact O-CB 3.37Å; S343-H347 PolarHBondContact O-N 3.35Å
344T91Very high89.9Confident2 Ų247.8 Ų47.81%0.01223%0.234CC..Hα-helixtrans-64.5-48.6-177.9-60.10000110.6Y263 Y265 V278 S340 M341 Y342 L346 H347 L348Y263-T344 HydrophobicContact CD1-CG2 4.29Å; Y265-T344 HydrophobicContact CE1-CG2 3.97Å; Y265-T344 PolarHBondContact OH-OG1 3.26Å; V278-T344 HydrophobicContact CB-CG2 4.05Å; V278-T344 HydrophobicContact CG1-CG2 3.98Å; V278-T344 HydrophobicContact CG2-CG2 4.01Å; S340-T344 PolarHBondContact O-N 3.08Å; S340-T344 PolarHBondContact O-OG1 2.79Å; S340-T344 VanDerWaalsContact O-OG1 3.07Å; M341-T344 PolarHBondContact O-N 2.89Å; M341-T344 VanDerWaalsContact O-N 3.09Å; Y342-T344 VanDerWaalsContact C-N 3.32Å; Y342-T344 PolarHBondContact O-N 3.07Å; T344-L346 PolarHBondContact O-N 3.42Å; T344-H347 PolarHBondContact O-N 3.44Å; T344-L348 VanDerWaalsContact O-CB 3.31Å; T344-L348 WeakPolarHBondContact O-CB 3.45Å; T344-L348 PolarHBondContact O-N 3.09Å
345H93.3Very high90.3Very high0 Ų046.9 Ų46.90%023%0.228CC..Hα-helixtrans-67.5-34.6-178.6-68.9-60.8000113.3F248 D284 L286 W287 L290 V302 M341 L348 A349F248-H345 AromaticContact CE1-ND1 3.67Å; F248-H345 HydrophobicContact CZ-CB 4.46Å; D284-H345 IonicContact OD1-NE2 3.65Å; D284-H345 IonicContact OD2-CD2 2.73Å; D284-H345 IonicContact OD2-CE1 2.7Å; D284-H345 IonicContact OD2-NE2 3.95Å; D284-H345 PolarHBondContact OD2-NE2 2.89Å; L286-H345 HydrophobicContact CD2-CB 4.36Å; L286-H345 VanDerWaalsContact CD2-CD2 3.44Å; L286-H345 WeakPolarHBondContact CD2-CD2 3.3Å; W287-H345 AromaticContact CE3-CE1 3.6Å; W287-H345 AromaticContact CE3-ND1 3.9Å; L290-H345 HydrophobicContact CD1-CB 4.04Å; V302-H345 HydrophobicContact CG2-CB 4.27Å; M341-H345 PolarHBondContact O-CD2 2.98Å; M341-H345 PolarHBondContact O-N 3.45Å; H345-L348 PolarHBondContact O-N 2.87Å; H345-A349 WeakPolarHBondContact O-CB 3.34Å; H345-A349 PolarHBondContact O-N 3.25Å
346L91Very high90.7Very high7 Ų744.9 Ų44.94%0.03722%0.22CC..Hα-helixtrans-63.6-46.2171.9-73171.1000111.6T299 V302 I322 Y342 T344 A349 E350T299-L346 HydrophobicContact CG2-CD2 4.27Å; V302-L346 HydrophobicContact CB-CD2 3.91Å; V302-L346 HydrophobicContact CB-CG 4.41Å; V302-L346 HydrophobicContact CG1-CD1 4.27Å; V302-L346 HydrophobicContact CG1-CD2 3.66Å; V302-L346 HydrophobicContact CG1-CG 3.62Å; I322-L346 HydrophobicContact CD1-CB 3.83Å; I322-L346 HydrophobicContact CD1-CD1 4.35Å; I322-L346 HydrophobicContact CD1-CG 4.46Å; I322-L346 HydrophobicContact CG1-CB 3.91Å; I322-L346 HydrophobicContact CG1-CD1 3.56Å; I322-L346 HydrophobicContact CG1-CG 4.19Å; Y342-L346 WeakPolarHBondContact O-CB 3.11Å; Y342-L346 WeakPolarHBondContact O-CG 3.15Å; Y342-L346 PolarHBondContact O-N 3.29Å; Y342-L346 VanDerWaalsContact O-N 3.09Å; T344-L346 PolarHBondContact O-N 3.42Å; L346-A349 PolarHBondContact O-N 3.09Å; L346-E350 WeakPolarHBondContact O-CB 3.48Å; L346-E350 PolarHBondContact O-N 2.86Å
347H91.8Very high91.1Very high58 Ų5847 Ų4727%0.26923%0.228SC..Hα-helixtrans-63.8-42.9177.1-176.4-76.2000111.6Y263 Y265 S343 T344 A349 E350 A351Y263-H347 AromaticContact CE1-ND1 3.81Å; Y263-H347 AromaticContact CZ-ND1 3.74Å; Y263-H347 PolarHBondContact OH-CE1 3.45Å; Y263-H347 PolarHBondContact OH-ND1 2.87Å; Y265-H347 WeakPolarHBondContact CB-CE1 3.41Å; Y265-H347 HydrophobicContact CD2-CB 4.17Å; Y265-H347 AromaticContact CD2-CD2 3.56Å; Y265-H347 AromaticContact CD2-CE1 3.73Å; Y265-H347 AromaticContact CD2-CG 3.48Å; Y265-H347 VanDerWaalsContact CD2-CG 3.48Å; Y265-H347 AromaticContact CD2-ND1 3.57Å; Y265-H347 AromaticContact CD2-NE2 3.7Å; Y265-H347 HydrophobicContact CE2-CB 4.1Å; Y265-H347 AromaticContact CE2-CG 3.91Å; Y265-H347 AromaticContact CG-CE1 3.8Å; Y265-H347 AromaticContact CG-ND1 3.64Å; S343-H347 WeakPolarHBondContact O-CB 3.37Å; S343-H347 PolarHBondContact O-N 3.35Å; T344-H347 PolarHBondContact O-N 3.44Å; H347-A349 PolarHBondContact O-N 3.46Å; H347-E350 PolarHBondContact O-N 3.45Å; H347-A351 WeakPolarHBondContact O-CB 3.42Å; H347-A351 PolarHBondContact O-N 3.01Å
348L94.9Very high91.1Very high0 Ų043.3 Ų43.30%022%0.222CC..Hα-helixtrans-60.8-45.8178.5-174.365.1000111.2F248 A252 L256 Y263 L280 W287 T344 H345 A351 C352F248-L348 HydrophobicContact CE1-CD2 4.19Å; F248-L348 HydrophobicContact CE2-CB 4.29Å; F248-L348 HydrophobicContact CE2-CD2 4.01Å; F248-L348 HydrophobicContact CE2-CG 3.9Å; F248-L348 HydrophobicContact CZ-CB 4.02Å; F248-L348 HydrophobicContact CZ-CD2 3.61Å; F248-L348 HydrophobicContact CZ-CG 3.87Å; A252-L348 HydrophobicContact CB-CD1 4.16Å; A252-L348 HydrophobicContact CB-CD2 4.4Å; A252-L348 HydrophobicContact CB-CG 4.37Å; L256-L348 HydrophobicContact CD1-CD1 3.41Å; L256-L348 VanDerWaalsContact CD1-CD1 3.41Å; L256-L348 HydrophobicContact CD1-CG 4.49Å; Y263-L348 HydrophobicContact CD1-CD1 3.89Å; Y263-L348 HydrophobicContact CD2-CD1 3.95Å; Y263-L348 HydrophobicContact CE1-CB 4.15Å; Y263-L348 HydrophobicContact CE1-CD1 3.73Å; Y263-L348 HydrophobicContact CE2-CD1 3.81Å; Y263-L348 HydrophobicContact CG-CD1 3.98Å; L280-L348 HydrophobicContact CD1-CD2 4.25Å; L280-L348 HydrophobicContact CD2-CD2 4.32Å; W287-L348 HydrophobicContact CH2-CD2 4.45Å; W287-L348 HydrophobicContact CZ3-CD2 3.76Å; T344-L348 VanDerWaalsContact O-CB 3.31Å; T344-L348 WeakPolarHBondContact O-CB 3.45Å; T344-L348 PolarHBondContact O-N 3.09Å; H345-L348 PolarHBondContact O-N 2.87Å; L348-A351 PolarHBondContact O-N 3.03Å; L348-C352 PolarHBondContact O-N 2.82Å; L348-C352 PolarHBondContact O-SG 2.58Å
349A95.4Very high90.8Very high0 Ų042 Ų420%022%0.222CC..Hα-helixtrans-64.4-42176.100000112.5F248 I295 V298 H345 L346 H347 C352 M353F248-A349 HydrophobicContact CE2-CB 3.93Å; F248-A349 HydrophobicContact CZ-CB 4.36Å; I295-A349 HydrophobicContact CD1-CB 4.09Å; V298-A349 HydrophobicContact CG1-CB 3.99Å; H345-A349 WeakPolarHBondContact O-CB 3.34Å; H345-A349 PolarHBondContact O-N 3.25Å; L346-A349 PolarHBondContact O-N 3.09Å; H347-A349 PolarHBondContact O-N 3.46Å; A349-C352 PolarHBondContact O-N 3.34Å; A349-M353 WeakPolarHBondContact O-CB 3.31Å; A349-M353 WeakPolarHBondContact O-CG 3.39Å; A349-M353 PolarHBondContact O-N 2.89Å
350E93.4Very high90.9Very high108 Ų10842.4 Ų42.451%0.50522%0.224SC..Hα-helixtrans-62.9-41.6175.7-176.2174.8-168.100112.2L346 H347 M353 T354L346-E350 WeakPolarHBondContact O-CB 3.48Å; L346-E350 PolarHBondContact O-N 2.86Å; H347-E350 PolarHBondContact O-N 3.45Å; E350-M353 PolarHBondContact O-N 2.95Å; E350-T354 WeakPolarHBondContact O-CB 3.26Å; E350-T354 PolarHBondContact O-N 3.46Å; E350-T354 PolarHBondContact O-OG1 3.3Å
351A94.4Very high91Very high20 Ų2045 Ų4517%0.16524%0.235CC..Hα-helixtrans-63.1-44.9176.500000111.6L256 H347 L348 T354 K355L256-A351 HydrophobicContact CD1-CB 4.01Å; L256-A351 HydrophobicContact CD2-CB 3.91Å; H347-A351 WeakPolarHBondContact O-CB 3.42Å; H347-A351 PolarHBondContact O-N 3.01Å; L348-A351 PolarHBondContact O-N 3.03Å; A351-T354 PolarHBondContact O-N 2.94Å; A351-K355 PolarHBondContact O-N 3.03Å
352C95.9Very high90.9Very high0 Ų050.4 Ų50.40%026%0.257CS..Hα-helixtrans-59-48.4174.3-66.40000111.4M251 I295 L348 A349 T354 K355 F356M251-C352 HydrophobicContact CE-CB 4.01Å; M251-C352 HydrophobicContact CG-CB 4.26Å; M251-C352 HydrophobicContact SD-CB 3.93Å; I295-C352 HydrophobicContact CD1-CB 4.19Å; L348-C352 PolarHBondContact O-N 2.82Å; L348-C352 PolarHBondContact O-SG 2.58Å; A349-C352 PolarHBondContact O-N 3.34Å; C352-T354 VanDerWaalsContact C-N 3.33Å; C352-T354 PolarHBondContact O-N 3.36Å; C352-K355 PolarHBondContact O-N 3.06Å; C352-F356 WeakPolarHBondContact O-CB 3.22Å; C352-F356 PolarHBondContact O-N 2.86Å
353M94.7Very high91Very high49 Ų4949 Ų4924%0.24125%0.252CS..Hα-helixtrans-67.2-33.1-178.4-74.1-56.3-55.800113.2I295 A349 E350 F356 K357I295-M353 HydrophobicContact CB-SD 4.45Å; I295-M353 HydrophobicContact CD1-CG 4.46Å; I295-M353 HydrophobicContact CG1-CG 3.93Å; I295-M353 HydrophobicContact CG1-SD 3.51Å; I295-M353 VanDerWaalsContact CG1-SD 3.51Å; I295-M353 HydrophobicContact CG2-SD 4.07Å; A349-M353 WeakPolarHBondContact O-CB 3.31Å; A349-M353 WeakPolarHBondContact O-CG 3.39Å; A349-M353 PolarHBondContact O-N 2.89Å; E350-M353 PolarHBondContact O-N 2.95Å; M353-F356 HydrophobicContact CE-CD1 3.99Å; M353-F356 PolarHBondContact O-N 2.91Å; M353-K357 HydrophobicContact CE-CG 4.49Å; M353-K357 WeakPolarHBondContact O-CB 3.32Å; M353-K357 WeakPolarHBondContact O-CG 3.34Å; M353-K357 PolarHBondContact O-N 3.12Å
354T94.4Very high91.4Very high90 Ų9048.4 Ų48.455%0.55225%0.247SC*.Hα-helixtrans-61.6-47.1173.8-61.70000110.9E350 A351 C352 S358E350-T354 WeakPolarHBondContact O-CB 3.26Å; E350-T354 PolarHBondContact O-N 3.46Å; E350-T354 PolarHBondContact O-OG1 3.3Å; A351-T354 PolarHBondContact O-N 2.94Å; C352-T354 VanDerWaalsContact C-N 3.33Å; C352-T354 PolarHBondContact O-N 3.36Å; T354-S358 PolarHBondContact O-N 3.22Å; T354-S358 PolarHBondContact O-OG 3.3Å
355K92.4Very high91.5Very high112 Ų11253.5 Ų53.549%0.48727%0.271SS..Hα-helixtrans-66.2-39.2176.3-71.8-68.9-170.7172.20112.8L255 L256 A351 C352 S358L255-K355 HydrophobicContact CB-CB 4.37Å; L255-K355 HydrophobicContact CD1-CB 4.15Å; L256-K355 HydrophobicContact CD2-CG 4.32Å; A351-K355 PolarHBondContact O-N 3.03Å; C352-K355 PolarHBondContact O-N 3.06Å; K355-S358 PolarHBondContact O-N 3.26Å; K355-S358 PolarHBondContact O-OG 3.49Å
356F93.2Very high91.6Very high21 Ų2154.3 Ų54.39%0.09228%0.276CS..Iπ-helixtrans-61.6-49177.6177.3-100000112.5L246 M251 C352 M353 S358 L360 D361 L473L246-F356 HydrophobicContact CD1-CE2 4.08Å; L246-F356 HydrophobicContact CD2-CD2 3.81Å; L246-F356 HydrophobicContact CD2-CE2 3.79Å; M251-F356 HydrophobicContact CE-CB 3.5Å; M251-F356 VanDerWaalsContact CE-CB 3.5Å; M251-F356 HydrophobicContact CE-CD2 4.05Å; M251-F356 HydrophobicContact CE-CG 3.97Å; C352-F356 WeakPolarHBondContact O-CB 3.22Å; C352-F356 PolarHBondContact O-N 2.86Å; M353-F356 HydrophobicContact CE-CD1 3.99Å; M353-F356 PolarHBondContact O-N 2.91Å; F356-S358 VanDerWaalsContact C-N 3.29Å; F356-S358 PolarHBondContact O-N 3Å; F356-L360 HydrophobicContact CD2-CB 3.98Å; F356-L360 HydrophobicContact CE2-CB 4.49Å; F356-L360 PolarHBondContact O-N 2.91Å; F356-D361 HydrophobicContact CE1-CB 4.16Å; F356-D361 HydrophobicContact CZ-CB 4.05Å; F356-D361 PolarHBondContact O-N 3.18Å; F356-L473 HydrophobicContact CE2-CD1 4.3Å; F356-L473 HydrophobicContact CZ-CD1 3.69Å
357K90.7Very high91.8Very high158 Ų15854 Ų5469%0.68727%0.274SS*.Iπ-helixtrans-68.8-24.5-178.4-72178.6-179.8-1800113.8M353M353-K357 HydrophobicContact CE-CG 4.49Å; M353-K357 WeakPolarHBondContact O-CB 3.32Å; M353-K357 WeakPolarHBondContact O-CG 3.34Å; M353-K357 PolarHBondContact O-N 3.12Å
358S86.1Confident91.9Very high84 Ų8451.4 Ų51.459%0.58726%0.262SS*.Iπ-helixtrans-73.6-37.9-178.557.20000113.2T354 K355 F356T354-S358 PolarHBondContact O-N 3.22Å; T354-S358 PolarHBondContact O-OG 3.3Å; K355-S358 PolarHBondContact O-N 3.26Å; K355-S358 PolarHBondContact O-OG 3.49Å; F356-S358 VanDerWaalsContact C-N 3.29Å; F356-S358 PolarHBondContact O-N 3Å
359S78.2Confident91.9Very high50 Ų5052.2 Ų52.235%0.3527%0.267SS..Iπ-helixtrans-151.2-13.9-166.952.40000115.9
360L87Confident91.9Very high7 Ų752.3 Ų52.34%0.03727%0.267CS..Iπ-helixtrans-104.3-17.9-166.3-58.2176.2000114.9H244 L255 F356 K362 L363 C364H244-L360 WeakPolarHBondContact NE2-CD2 3.47Å; L255-L360 HydrophobicContact CD1-CD1 3.53Å; L255-L360 HydrophobicContact CD2-CD1 3.33Å; L255-L360 HydrophobicContact CG-CD1 4.06Å; F356-L360 HydrophobicContact CD2-CB 3.98Å; F356-L360 HydrophobicContact CE2-CB 4.49Å; F356-L360 PolarHBondContact O-N 2.91Å; L360-K362 PolarHBondContact O-N 3.11Å; L360-L363 HydrophobicContact CD2-CD2 3.72Å; L360-L363 WeakPolarHBondContact O-CB 3.34Å; L360-L363 PolarHBondContact O-N 2.86Å; L360-L363 VanDerWaalsContact O-N 3.1Å; L360-C364 WeakPolarHBondContact O-CB 3.41Å; L360-C364 PolarHBondContact O-N 2.72Å; L360-C364 PolarHBondContact O-SG 3.42Å
361D87Confident91.9Very high87 Ų8748.1 Ų48.147%0.46525%0.249SC..Hα-helixtrans-55.4-54-177.1-168.723.1000111.8F356 L363 C364 E365F356-D361 HydrophobicContact CE1-CB 4.16Å; F356-D361 HydrophobicContact CZ-CB 4.05Å; F356-D361 PolarHBondContact O-N 3.18Å; D361-L363 VanDerWaalsContact C-N 3.31Å; D361-L363 PolarHBondContact O-N 3.18Å; D361-C364 PolarHBondContact O-N 2.9Å; D361-E365 PolarHBondContact O-N 2.96Å
362K87.2Confident91.8Very high162 Ų16248.5 Ų48.570%0.70425%0.248SC*.Hα-helixtrans-65.8-33.7175.6-62.4179.3-176.3172.70112.9L360 V366L360-K362 PolarHBondContact O-N 3.11Å; K362-V366 WeakPolarHBondContact O-CG2 3.37Å; K362-V366 PolarHBondContact O-N 2.99Å
363L92.4Very high91.5Very high1 Ų149.5 Ų49.51%0.00526%0.258CS..Hα-helixtrans-66.4-48.8-179.1-173.369000110.3H244 L360 D361 E365 V366 E367 V391 D401 I405H244-L363 WeakPolarHBondContact CE1-CD2 3.36Å; L360-L363 HydrophobicContact CD2-CD2 3.72Å; L360-L363 WeakPolarHBondContact O-CB 3.34Å; L360-L363 PolarHBondContact O-N 2.86Å; L360-L363 VanDerWaalsContact O-N 3.1Å; D361-L363 VanDerWaalsContact C-N 3.31Å; D361-L363 PolarHBondContact O-N 3.18Å; L363-E365 VanDerWaalsContact C-N 3.28Å; L363-E365 PolarHBondContact O-N 3.01Å; L363-V366 PolarHBondContact O-N 3.3Å; L363-E367 HydrophobicContact CG-CG 4.47Å; L363-E367 WeakPolarHBondContact O-CG 3.32Å; L363-E367 PolarHBondContact O-N 2.91Å; L363-V391 HydrophobicContact CD1-CG1 3.52Å; L363-D401 HydrophobicContact CD2-CB 3.89Å; L363-I405 HydrophobicContact CD1-CD1 3.56Å; L363-I405 HydrophobicContact CD1-CG1 3.44Å; L363-I405 VanDerWaalsContact CD1-CG1 3.44Å; L363-I405 HydrophobicContact CG-CD1 4.37Å
364C95Very high91.3Very high0 Ų050.8 Ų50.80%026%0.264CS..Hα-helixtrans-60.3-37.4179.4-65.40000111.7L360 D361 E367 Q368 L473L360-C364 WeakPolarHBondContact O-CB 3.41Å; L360-C364 PolarHBondContact O-N 2.72Å; L360-C364 PolarHBondContact O-SG 3.42Å; D361-C364 PolarHBondContact O-N 2.9Å; C364-E367 PolarHBondContact O-N 2.94Å; C364-Q368 WeakPolarHBondContact O-CB 3.43Å; C364-Q368 VanDerWaalsContact O-CG 3.22Å; C364-Q368 WeakPolarHBondContact O-CG 3.25Å; C364-Q368 PolarHBondContact O-N 2.81Å; C364-L473 HydrophobicContact CB-CB 4.43Å; C364-L473 HydrophobicContact CB-CD1 4.37Å; C364-L473 HydrophobicContact CB-CD2 4.32Å
365E93.4Very high91.1Very high110 Ų11048.1 Ų48.151%0.51425%0.246SC..Hα-helixtrans-58.5-51.7175.1-172.7-178.4-178.200111D361 L363 E367 Q368 D369 L473D361-E365 PolarHBondContact O-N 2.96Å; L363-E365 VanDerWaalsContact C-N 3.28Å; L363-E365 PolarHBondContact O-N 3.01Å; E365-E367 PolarHBondContact O-N 2.69Å; E365-Q368 PolarHBondContact O-N 3.3Å; E365-D369 PolarHBondContact O-N 2.85Å; E365-L473 HydrophobicContact CB-CD2 3.93Å
366V94.7Very high90.9Very high16 Ų1644.7 Ų44.710%0.09724%0.239CC..Hα-helixtrans-63.1-41.6178178.40000111.5K362 L363 D369 L370 I388 V391 I405K362-V366 WeakPolarHBondContact O-CG2 3.37Å; K362-V366 PolarHBondContact O-N 2.99Å; L363-V366 PolarHBondContact O-N 3.3Å; V366-D369 PolarHBondContact O-N 2.9Å; V366-L370 HydrophobicContact CG1-CD1 3.94Å; V366-L370 HydrophobicContact CG1-CG 4.31Å; V366-L370 WeakPolarHBondContact O-CB 3.29Å; V366-L370 WeakPolarHBondContact O-CG 3.42Å; V366-L370 PolarHBondContact O-N 2.88Å; V366-I388 HydrophobicContact CG1-CG2 4Å; V366-V391 HydrophobicContact CG2-CG2 4.14Å; V366-I405 HydrophobicContact CB-CD1 4.42Å; V366-I405 HydrophobicContact CG1-CD1 4.09Å
367E95.9Very high90.6Very high0 Ų050.2 Ų50.20%027%0.265CS..Hα-helixtrans-58-49.8176.4-72-171.2173.700111.8L243 H244 L363 C364 E365 L370 V371 I405 L408L243-E367 HydrophobicContact CD2-CB 3.84Å; L243-E367 HydrophobicContact CD2-CG 4.49Å; H244-E367 WeakPolarHBondContact CB-OE2 3.29Å; H244-E367 IonicContact CE1-OE1 3.37Å; H244-E367 IonicContact CG-OE1 3.69Å; H244-E367 IonicContact CG-OE2 2.55Å; H244-E367 PolarHBondContact N-OE2 3.41Å; H244-E367 IonicContact ND1-OE1 2.71Å; H244-E367 PolarHBondContact ND1-OE1 3.21Å; H244-E367 IonicContact ND1-OE2 3.53Å; H244-E367 PolarHBondContact ND1-OE2 3.13Å; L363-E367 HydrophobicContact CG-CG 4.47Å; L363-E367 WeakPolarHBondContact O-CG 3.32Å; L363-E367 PolarHBondContact O-N 2.91Å; C364-E367 PolarHBondContact O-N 2.94Å; E365-E367 PolarHBondContact O-N 2.69Å; E367-L370 PolarHBondContact O-N 2.8Å; E367-V371 WeakPolarHBondContact O-CG2 3.22Å; E367-V371 PolarHBondContact O-N 3.07Å; E367-I405 HydrophobicContact CG-CD1 3.53Å; E367-L408 HydrophobicContact CB-CD1 3.85Å; E367-L408 HydrophobicContact CG-CD1 3.66Å
368Q94.7Very high90.4Very high4 Ų444.7 Ų44.72%0.01925%0.253CS..Hα-helixtrans-64.4-41.9-179.2-66.2-63.8-47.900111.4C364 E365 L370 V371 M372 L473 R475C364-Q368 WeakPolarHBondContact O-CB 3.43Å; C364-Q368 VanDerWaalsContact O-CG 3.22Å; C364-Q368 WeakPolarHBondContact O-CG 3.25Å; C364-Q368 PolarHBondContact O-N 2.81Å; E365-Q368 PolarHBondContact O-N 3.3Å; Q368-L370 VanDerWaalsContact C-N 3.33Å; Q368-L370 PolarHBondContact O-N 3Å; Q368-V371 WeakPolarHBondContact O-CG2 3.47Å; Q368-V371 PolarHBondContact O-N 2.91Å; Q368-M372 WeakPolarHBondContact O-CB 3.43Å; Q368-M372 WeakPolarHBondContact O-CG 3.27Å; Q368-M372 PolarHBondContact O-N 2.92Å; Q368-L473 VanDerWaalsContact CG-O 3.27Å; Q368-L473 WeakPolarHBondContact CG-O 3.36Å; Q368-L473 PolarHBondContact NE2-O 3.05Å; Q368-R475 VanDerWaalsContact CB-NH2 3.33Å
369D94.5Very high90.5Very high18 Ų1846.9 Ų46.910%0.09625%0.254CS..Hα-helixtrans-61.7-40.5176.6-75.11000112.3E365 V366 G373 N375 L381 R475E365-D369 PolarHBondContact O-N 2.85Å; V366-D369 PolarHBondContact O-N 2.9Å; D369-G373 VanDerWaalsContact O-CA 3.29Å; D369-G373 WeakPolarHBondContact O-CA 3.44Å; D369-G373 PolarHBondContact O-N 3.18Å; D369-N375 WeakPolarHBondContact OD1-CA 3.44Å; D369-L381 HydrophobicContact CB-CD2 4.47Å; D369-R475 IonicContact OD1-CZ 3.82Å; D369-R475 IonicContact OD1-NH1 3.59Å; D369-R475 IonicContact OD1-NH2 2.74Å; D369-R475 PolarHBondContact OD1-NH2 2.84Å
370L94.8Very high91Very high2 Ų248.1 Ų48.11%0.0127%0.267CS..Hα-helixtrans-64.9-48.9177.8-72.1171.3000111.8V366 E367 Q368 G373 L381 A384 I388 I405 L408 Y409 H412V366-L370 HydrophobicContact CG1-CD1 3.94Å; V366-L370 HydrophobicContact CG1-CG 4.31Å; V366-L370 WeakPolarHBondContact O-CB 3.29Å; V366-L370 WeakPolarHBondContact O-CG 3.42Å; V366-L370 PolarHBondContact O-N 2.88Å; E367-L370 PolarHBondContact O-N 2.8Å; Q368-L370 VanDerWaalsContact C-N 3.33Å; Q368-L370 PolarHBondContact O-N 3Å; L370-G373 PolarHBondContact O-N 3.03Å; L370-L381 HydrophobicContact CD2-CD2 4.12Å; L370-A384 HydrophobicContact CD2-CB 3.99Å; L370-I388 HydrophobicContact CD1-CG2 3.88Å; L370-I388 HydrophobicContact CD2-CG2 4.18Å; L370-I388 HydrophobicContact CG-CG2 4.49Å; L370-I405 HydrophobicContact CD1-CD1 4.44Å; L370-I405 HydrophobicContact CD1-CG2 4.37Å; L370-L408 HydrophobicContact CB-CB 4.26Å; L370-L408 HydrophobicContact CD1-CB 4.01Å; L370-Y409 HydrophobicContact CD2-CD2 4.15Å; L370-H412 HydrophobicContact CD2-CB 4.42Å; L370-H412 WeakPolarHBondContact O-CB 3.19Å; L370-H412 PolarHBondContact O-ND1 3.36Å
371V93.1Very high91.1Very high20 Ų2049.5 Ų49.512%0.12127%0.274CS..Hα-helixtrans-75.2-32.1-175.7-60.60000113.4I239 L243 E367 Q368 L408 W476I239-V371 HydrophobicContact CG2-CB 4.21Å; I239-V371 HydrophobicContact CG2-CG1 3.56Å; L243-V371 HydrophobicContact CD1-CG1 4.25Å; L243-V371 HydrophobicContact CD1-CG2 4.33Å; L243-V371 HydrophobicContact CD2-CG1 3.89Å; L243-V371 HydrophobicContact CD2-CG2 4.35Å; L243-V371 HydrophobicContact CG-CG1 4.39Å; E367-V371 WeakPolarHBondContact O-CG2 3.22Å; E367-V371 PolarHBondContact O-N 3.07Å; Q368-V371 WeakPolarHBondContact O-CG2 3.47Å; Q368-V371 PolarHBondContact O-N 2.91Å; V371-L408 HydrophobicContact CG1-CD1 4.22Å; V371-L408 HydrophobicContact CG1-CD2 3.54Å; V371-L408 HydrophobicContact CG1-CG 4.29Å; V371-W476 HydrophobicContact CB-CD2 4.44Å; V371-W476 HydrophobicContact CB-CE3 3.79Å; V371-W476 HydrophobicContact CB-CZ3 4.11Å; V371-W476 HydrophobicContact CG2-CB 4.12Å; V371-W476 HydrophobicContact CG2-CD2 4.25Å; V371-W476 HydrophobicContact CG2-CE3 3.79Å; V371-W476 HydrophobicContact CG2-CG 4.42Å
372M91.5Very high90.9Very high27 Ų2755.1 Ų55.113%0.13329%0.294CS..Hα-helixtrans-79-31.2175.1-61.8-61.1-67.500111.3Q368 E374 R463 R475Q368-M372 WeakPolarHBondContact O-CB 3.43Å; Q368-M372 WeakPolarHBondContact O-CG 3.27Å; Q368-M372 PolarHBondContact O-N 2.92Å; M372-E374 HydrophobicContact CB-CG 4Å; M372-R463 VanDerWaalsContact SD-CZ 3.57Å; M372-R463 PolarHBondContact SD-NH1 2.94Å; M372-R463 PolarHBondContact SD-NH2 3.2Å; M372-R475 HydrophobicContact CE-CB 3.99Å; M372-R475 HydrophobicContact CG-CB 3.95Å; M372-R475 HydrophobicContact SD-CB 3.9Å
373G90.9Very high90.8Very high22 Ų2250.7 Ų50.723%0.22728%0.279CS..SBendtrans76.47.2-173.100000114D369 L370 L381D369-G373 VanDerWaalsContact O-CA 3.29Å; D369-G373 WeakPolarHBondContact O-CA 3.44Å; D369-G373 PolarHBondContact O-N 3.18Å; L370-G373 PolarHBondContact O-N 3.03Å; G373-L381 PolarHBondContact O-N 3.07Å
374E91.2Very high90.6Very high76 Ų7650.7 Ų50.736%0.35528%0.279SS..BIsolated β-bridgetrans-145.2151.5-178.662-173.1-176.500109.7M372 E379 R475M372-E374 HydrophobicContact CB-CG 4Å; E374-E379 CarbonylContact C-O 3.51Å; E374-E379 WeakPolarHBondContact CA-O 2.91Å; E374-E379 WeakPolarHBondContact CB-O 3.33Å; E374-R475 PolarHBondContact O-NH1 3.28Å
375N90.1Very high90.4Very high33 Ų3353.7 Ų53.718%0.17629%0.294CS..  trans-74.6178.3173.666.76.2000112D369 E377 G378 E379 R475D369-N375 WeakPolarHBondContact OD1-CA 3.44Å; N375-E377 PolarHBondContact ND2-OE2 3.15Å; N375-E377 PolarHBondContact O-N 3.43Å; N375-E377 VanDerWaalsContact O-N 3.15Å; N375-E377 PolarHBondContact OD1-N 2.86Å; N375-E377 PolarHBondContact OD1-OE2 2.95Å; N375-G378 PolarHBondContact O-N 3.13Å; N375-G378 PolarHBondContact OD1-N 3.38Å; N375-G378 VanDerWaalsContact OD1-N 3.15Å; N375-E379 PolarHBondContact N-O 3.34Å; N375-E379 PolarHBondContact ND2-OE2 3.21Å; N375-E379 WeakPolarHBondContact OD1-CA 3Å; N375-E379 WeakPolarHBondContact OD1-CB 3.3Å; N375-E379 PolarHBondContact OD1-N 3.03Å; N375-E379 PolarHBondContact OD1-O 3.5Å; N375-R475 PolarHBondContact O-NH1 2.91Å
376A87.6Confident90.2Very high41 Ų4155.9 Ų55.934%0.33930%0.302SS..THydrogen-bonded Turntrans-59.5-24.5-179.300000113.1G378 Q472A376-G378 VanDerWaalsContact C-N 3.35Å; A376-Q472 HydrophobicContact CB-CB 4.21Å; A376-Q472 HydrophobicContact CB-CG 4.05Å
377E86.6Confident89.9Confident137 Ų13756.8 Ų56.864%0.6431%0.309SS*.THydrogen-bonded Turntrans-84.7-5.9177.8-61.568.5-14700113.4N375 E379N375-E377 PolarHBondContact ND2-OE2 3.15Å; N375-E377 PolarHBondContact O-N 3.43Å; N375-E377 VanDerWaalsContact O-N 3.15Å; N375-E377 PolarHBondContact OD1-N 2.86Å; N375-E377 PolarHBondContact OD1-OE2 2.95Å; E377-E379 HydrophobicContact CB-CG 4.32Å
378G85.6Confident89.8Confident42 Ų4256.8 Ų56.843%0.43331%0.309SS..SBendtrans82.815-17800000114.1N375 A376N375-G378 PolarHBondContact O-N 3.13Å; N375-G378 PolarHBondContact OD1-N 3.38Å; N375-G378 VanDerWaalsContact OD1-N 3.15Å; A376-G378 VanDerWaalsContact C-N 3.35Å
379E88.8Confident89.7Confident129 Ų12959.2 Ų59.260%0.60332%0.323SS*.  trans-83130.2173.2-51.8-174.7140.500110.6E374 N375 E377 L381E374-E379 CarbonylContact C-O 3.51Å; E374-E379 WeakPolarHBondContact CA-O 2.91Å; E374-E379 WeakPolarHBondContact CB-O 3.33Å; N375-E379 PolarHBondContact N-O 3.34Å; N375-E379 PolarHBondContact ND2-OE2 3.21Å; N375-E379 WeakPolarHBondContact OD1-CA 3Å; N375-E379 WeakPolarHBondContact OD1-CB 3.3Å; N375-E379 PolarHBondContact OD1-N 3.03Å; N375-E379 PolarHBondContact OD1-O 3.5Å; E377-E379 HydrophobicContact CB-CG 4.32Å; E379-L381 PolarHBondContact O-N 3.45Å
380A89.3Confident89.6Confident77 Ų7762.2 Ų62.264%0.63634%0.344SS*.BIsolated β-bridgetrans-61.1136.4-179.800000112.4K382A380-K382 PolarHBondContact O-N 3.33Å
381L88.5Confident89.5Confident35 Ų3562.7 Ų62.718%0.18335%0.347CS..  trans-71.7100.1-179.4-170.366.9000111D369 L370 G373 E379 A384D369-L381 HydrophobicContact CB-CD2 4.47Å; L370-L381 HydrophobicContact CD2-CD2 4.12Å; G373-L381 PolarHBondContact O-N 3.07Å; E379-L381 PolarHBondContact O-N 3.45Å; L381-A384 HydrophobicContact CD2-CB 3.58Å; L381-A384 HydrophobicContact CG-CB 4.1Å
382K82.3Confident89.5Confident205 Ų20561.9 Ų61.989%0.89134%0.342SS*.SBendtrans-74.5-42.9-176.3-68.1179.4-177.4170.50113.6A380A380-K382 PolarHBondContact O-N 3.33Å
383D85.8Confident89.6Confident69 Ų6965.1 Ų65.137%0.36936%0.359SS..  trans-133.275.8-175.4-168.7-4.7000111.3M385 K386D383-M385 PolarHBondContact O-N 2.57Å; D383-M385 VanDerWaalsContact O-N 3.11Å; D383-M385 WeakPolarHBondContact OD1-CB 3.42Å; D383-M385 PolarHBondContact OD1-N 3.16Å; D383-K386 HydrophobicContact CB-CD 4.11Å; D383-K386 HydrophobicContact CB-CG 4.39Å; D383-K386 PolarHBondContact O-N 3.18Å; D383-K386 VanDerWaalsContact O-N 3.13Å; D383-K386 WeakPolarHBondContact OD2-CD 3.29Å; D383-K386 WeakPolarHBondContact OD2-CE 3.5Å; D383-K386 WeakPolarHBondContact OD2-CG 3.45Å; D383-K386 IonicContact OD2-NZ 3.97Å; D383-K386 PolarHBondContact OD2-NZ 3.42Å
384A89.3Confident89.6Confident1 Ų166.9 Ų66.91%0.00836%0.364CS..Hα-helixtrans-56.6-25178.200000113.5L370 L381 K386 S387 I388 Y409L370-A384 HydrophobicContact CD2-CB 3.99Å; L381-A384 HydrophobicContact CD2-CB 3.58Å; L381-A384 HydrophobicContact CG-CB 4.1Å; A384-K386 VanDerWaalsContact C-N 3.31Å; A384-K386 PolarHBondContact O-N 3.26Å; A384-S387 PolarHBondContact O-N 3.29Å; A384-I388 WeakPolarHBondContact O-CG2 3.39Å; A384-I388 PolarHBondContact O-N 2.86Å; A384-Y409 HydrophobicContact CB-CD2 4.04Å; A384-Y409 HydrophobicContact CB-CE2 3.88Å
385M89Confident89.6Confident64 Ų6470.1 Ų70.132%0.31538%0.383SS..Hα-helixtrans-65.4-35.7178.9-75.3-65.9-57.700111.9D383 S387 I388 V389 Y409 L425D383-M385 PolarHBondContact O-N 2.57Å; D383-M385 VanDerWaalsContact O-N 3.11Å; D383-M385 WeakPolarHBondContact OD1-CB 3.42Å; D383-M385 PolarHBondContact OD1-N 3.16Å; M385-S387 VanDerWaalsContact C-N 3.26Å; M385-S387 PolarHBondContact O-N 2.71Å; M385-I388 HydrophobicContact CE-CD1 4.47Å; M385-I388 PolarHBondContact O-N 2.55Å; M385-I388 HydrophobicContact SD-CD1 3.7Å; M385-I388 HydrophobicContact SD-CG1 4.31Å; M385-V389 HydrophobicContact CE-CG2 3.88Å; M385-V389 WeakPolarHBondContact O-CB 3.47Å; M385-V389 VanDerWaalsContact O-CG2 3.23Å; M385-V389 WeakPolarHBondContact O-CG2 3.23Å; M385-V389 PolarHBondContact O-N 2.76Å; M385-Y409 HydrophobicContact CG-CE2 4.32Å; M385-Y409 HydrophobicContact SD-CE1 3.92Å; M385-Y409 HydrophobicContact SD-CE2 4Å; M385-Y409 PolarHBondContact SD-OH 2.95Å; M385-L425 HydrophobicContact CE-CD2 3.91Å; M385-L425 HydrophobicContact SD-CD2 4.32Å
386K89.8Confident89.6Confident156 Ų15675.3 Ų75.368%0.67841%0.411SS*.Hα-helixtrans-64.4-31.8177.6-76176.7179.6163.80112.9D383 A384 P390D383-K386 HydrophobicContact CB-CD 4.11Å; D383-K386 HydrophobicContact CB-CG 4.39Å; D383-K386 PolarHBondContact O-N 3.18Å; D383-K386 VanDerWaalsContact O-N 3.13Å; D383-K386 WeakPolarHBondContact OD2-CD 3.29Å; D383-K386 WeakPolarHBondContact OD2-CE 3.5Å; D383-K386 WeakPolarHBondContact OD2-CG 3.45Å; D383-K386 IonicContact OD2-NZ 3.97Å; D383-K386 PolarHBondContact OD2-NZ 3.42Å; A384-K386 VanDerWaalsContact C-N 3.31Å; A384-K386 PolarHBondContact O-N 3.26Å; K386-P390 WeakPolarHBondContact O-CD 3.33Å; K386-P390 WeakPolarHBondContact O-CG 3.26Å
387S88.8Confident89.8Confident35 Ų3574.2 Ų74.225%0.24540%0.399CS..Hα-helixtrans-77.7-39178.4-51.30000111.9A384 M385A384-S387 PolarHBondContact O-N 3.29Å; M385-S387 VanDerWaalsContact C-N 3.26Å; M385-S387 PolarHBondContact O-N 2.71Å
388I93Very high90.1Very high0 Ų069.4 Ų69.40%039%0.386CS..Hα-helixtrans-82.8-34.2-175.271.8-179.8000113.8V366 L370 A384 M385 V391 L392 I405 Y409 L425V366-I388 HydrophobicContact CG1-CG2 4Å; L370-I388 HydrophobicContact CD1-CG2 3.88Å; L370-I388 HydrophobicContact CD2-CG2 4.18Å; L370-I388 HydrophobicContact CG-CG2 4.49Å; A384-I388 WeakPolarHBondContact O-CG2 3.39Å; A384-I388 PolarHBondContact O-N 2.86Å; M385-I388 HydrophobicContact CE-CD1 4.47Å; M385-I388 PolarHBondContact O-N 2.55Å; M385-I388 HydrophobicContact SD-CD1 3.7Å; M385-I388 HydrophobicContact SD-CG1 4.31Å; I388-V391 WeakPolarHBondContact O-CB 3.45Å; I388-V391 PolarHBondContact O-N 3Å; I388-V391 VanDerWaalsContact O-N 3.08Å; I388-L392 HydrophobicContact CG1-CD1 4.45Å; I388-L392 WeakPolarHBondContact O-CG 3.36Å; I388-L392 PolarHBondContact O-N 3.25Å; I388-I405 HydrophobicContact CB-CG2 3.91Å; I388-I405 HydrophobicContact CG2-CG2 3.77Å; I388-Y409 HydrophobicContact CD1-CD1 3.91Å; I388-Y409 HydrophobicContact CD1-CD2 3.74Å; I388-Y409 HydrophobicContact CD1-CE1 4.25Å; I388-Y409 HydrophobicContact CD1-CE2 4.09Å; I388-Y409 HydrophobicContact CD1-CG 3.64Å; I388-L425 HydrophobicContact CD1-CD2 4.03Å
389V92.3Very high90.5Very high54 Ų5469.1 Ų69.133%0.32738%0.38SS..Hα-helixtrans-58.5-44.1-174.4167.60000112.9M385 V391 L392 L393M385-V389 HydrophobicContact CE-CG2 3.88Å; M385-V389 WeakPolarHBondContact O-CB 3.47Å; M385-V389 VanDerWaalsContact O-CG2 3.23Å; M385-V389 WeakPolarHBondContact O-CG2 3.23Å; M385-V389 PolarHBondContact O-N 2.76Å; V389-V391 VanDerWaalsContact C-N 3.28Å; V389-V391 PolarHBondContact O-N 2.62Å; V389-L392 PolarHBondContact O-N 3.18Å; V389-L393 HydrophobicContact CG1-CD1 3.72Å; V389-L393 HydrophobicContact CG1-CG 4.28Å; V389-L393 WeakPolarHBondContact O-CG 3.24Å; V389-L393 PolarHBondContact O-N 2.99Å; V389-L393 VanDerWaalsContact O-N 3.07Å
390P92.8Very high90.9Very high81 Ų8165.5 Ų65.553%0.52636%0.361SS..Hα-helixtrans-57.3-40.4175.1-25.835.5000113K386 L393 D394K386-P390 WeakPolarHBondContact O-CD 3.33Å; K386-P390 WeakPolarHBondContact O-CG 3.26Å; P390-L393 PolarHBondContact O-N 3.39Å; P390-D394 PolarHBondContact O-N 3.37Å
391V92.6Very high91.2Very high13 Ų1363.5 Ų63.58%0.07934%0.34CS..Hα-helixtrans-66.6-41.5178.8177.80000111.2L363 V366 I388 V389 L393 D394 I397 I405L363-V391 HydrophobicContact CD1-CG1 3.52Å; V366-V391 HydrophobicContact CG2-CG2 4.14Å; I388-V391 WeakPolarHBondContact O-CB 3.45Å; I388-V391 PolarHBondContact O-N 3Å; I388-V391 VanDerWaalsContact O-N 3.08Å; V389-V391 VanDerWaalsContact C-N 3.28Å; V389-V391 PolarHBondContact O-N 2.62Å; V391-L393 VanDerWaalsContact C-N 3.35Å; V391-L393 PolarHBondContact O-N 3.04Å; V391-D394 PolarHBondContact O-N 3.49Å; V391-I397 HydrophobicContact CB-CD1 4.35Å; V391-I397 HydrophobicContact CG1-CD1 3.62Å; V391-I405 HydrophobicContact CG1-CG1 4.12Å
392L93.3Very high91.6Very high2 Ų262.2 Ų62.21%0.0133%0.333CS..Hα-helixtrans-69.7-32.3-179.7-62-179.2000112.8I388 V389 K402 I405 I406 L425 A429I388-L392 HydrophobicContact CG1-CD1 4.45Å; I388-L392 WeakPolarHBondContact O-CG 3.36Å; I388-L392 PolarHBondContact O-N 3.25Å; V389-L392 PolarHBondContact O-N 3.18Å; L392-K402 HydrophobicContact CD2-CB 3.88Å; L392-K402 HydrophobicContact CD2-CG 4.15Å; L392-K402 VanDerWaalsContact O-CE 3.25Å; L392-K402 WeakPolarHBondContact O-CE 3.49Å; L392-K402 PolarHBondContact O-NZ 3.08Å; L392-I405 HydrophobicContact CD2-CG2 4.37Å; L392-I406 HydrophobicContact CD1-CG1 4.25Å; L392-I406 HydrophobicContact CD2-CD1 4.12Å; L392-I406 HydrophobicContact CD2-CG1 3.91Å; L392-L425 HydrophobicContact CD1-CD2 3.61Å; L392-A429 HydrophobicContact CB-CB 4.23Å; L392-A429 HydrophobicContact CD2-CB 4.09Å
393L93.5Very high92.3Very high95 Ų9552.5 Ų52.550%0.49729%0.29SS..Hα-helixtrans-82.7-13.3178.5-65.3175.8000113.5V389 P390 V391 N395 H428V389-L393 HydrophobicContact CG1-CD1 3.72Å; V389-L393 HydrophobicContact CG1-CG 4.28Å; V389-L393 WeakPolarHBondContact O-CG 3.24Å; V389-L393 PolarHBondContact O-N 2.99Å; V389-L393 VanDerWaalsContact O-N 3.07Å; P390-L393 PolarHBondContact O-N 3.39Å; V391-L393 VanDerWaalsContact C-N 3.35Å; V391-L393 PolarHBondContact O-N 3.04Å; L393-N395 PolarHBondContact O-N 2.96Å; L393-H428 HydrophobicContact CD2-CB 4.28Å
394D92.1Very high92.8Very high60 Ų6049.4 Ų49.432%0.32127%0.273SS..  trans-70.4125.7178.7-162.3-26.7000110.7P390 V391 D396 I397 K402P390-D394 PolarHBondContact O-N 3.37Å; V391-D394 PolarHBondContact O-N 3.49Å; D394-D396 WeakPolarHBondContact OD1-CB 3.31Å; D394-D396 PolarHBondContact OD1-N 2.95Å; D394-I397 HydrophobicContact CB-CB 4.43Å; D394-I397 HydrophobicContact CB-CD1 3.87Å; D394-I397 HydrophobicContact CB-CG1 3.93Å; D394-K402 WeakPolarHBondContact O-CE 3.27Å; D394-K402 PolarHBondContact O-NZ 2.95Å
395N90.1Very high93.2Very high143 Ų14349.3 Ų49.377%0.76527%0.273SS*.SBendtrans-83.6-14.9-179.9-69.6-41.6000112.7L393L393-N395 PolarHBondContact O-N 2.96Å
396D89.9Confident93.6Very high143 Ų14346.3 Ų46.377%0.76526%0.258SS*.SBendtrans-79.1-14176.5-64.8-29.4000111.6D394D394-D396 WeakPolarHBondContact OD1-CB 3.31Å; D394-D396 PolarHBondContact OD1-N 2.95Å
397I91.9Very high93.9Very high17 Ų1738.9 Ų38.99%0.08723%0.226CC..SBendtrans-92.4127.8178.9-58-175.8000110.1V391 D394 D401 K402V391-I397 HydrophobicContact CB-CD1 4.35Å; V391-I397 HydrophobicContact CG1-CD1 3.62Å; D394-I397 HydrophobicContact CB-CB 4.43Å; D394-I397 HydrophobicContact CB-CD1 3.87Å; D394-I397 HydrophobicContact CB-CG1 3.93Å; I397-D401 HydrophobicContact CG2-CB 3.62Å; I397-K402 HydrophobicContact CG2-CG 3.97Å; I397-K402 VanDerWaalsContact O-CE 3.24Å; I397-K402 WeakPolarHBondContact O-CE 3.42Å
398G92.6Very high94.3Very high36 Ų3637.2 Ų37.237%0.37121%0.214SC..  trans-67.9159-178.600000113.6Y400 D401 K402G398-Y400 VanDerWaalsContact C-N 3.27Å; G398-Y400 PolarHBondContact O-N 3.5Å; G398-D401 PolarHBondContact O-N 2.94Å; G398-K402 WeakPolarHBondContact O-CG 2.94Å; G398-K402 PolarHBondContact O-N 3.08Å; G398-K402 VanDerWaalsContact O-N 3.12Å
399A95.1Very high94.4Very high36 Ų3638 Ų3830%0.29822%0.217SC..Hα-helixtrans-58.8-37.9179.900000112.8K402 I403A399-K402 PolarHBondContact O-N 3.11Å; A399-I403 VanDerWaalsContact O-CG1 3.26Å; A399-I403 WeakPolarHBondContact O-CG1 3.4Å; A399-I403 PolarHBondContact O-N 3.04Å
400Y96.1Very high94.5Very high54 Ų5435.4 Ų35.421%0.21220%0.202CC..Hα-helixtrans-68.4-39-178.7-81.437.3000111.4G398 I403 R404 I438 T576 L579 N580G398-Y400 VanDerWaalsContact C-N 3.27Å; G398-Y400 PolarHBondContact O-N 3.5Å; Y400-I403 WeakPolarHBondContact O-CB 3.39Å; Y400-I403 PolarHBondContact O-N 2.9Å; Y400-R404 VanDerWaalsContact O-CG 3.28Å; Y400-R404 WeakPolarHBondContact O-CG 3.42Å; Y400-R404 PolarHBondContact O-N 3.27Å; Y400-I438 HydrophobicContact CE1-CD1 4.43Å; Y400-T576 HydrophobicContact CD2-CG2 4.22Å; Y400-T576 HydrophobicContact CE2-CG2 4.08Å; Y400-L579 HydrophobicContact CD2-CB 4.11Å; Y400-L579 HydrophobicContact CD2-CD1 3.67Å; Y400-L579 HydrophobicContact CE2-CB 4.05Å; Y400-L579 HydrophobicContact CE2-CD1 4.43Å; Y400-L579 HydrophobicContact CG-CD1 4.01Å; Y400-N580 WeakPolarHBondContact CE2-OD1 3.38Å; Y400-N580 PolarHBondContact OH-OD1 3.36Å
401D96.3Very high94.5Very high34 Ų3432.3 Ų32.318%0.18218%0.18CC..Hα-helixtrans-65.6-39.4174.7-63-33.6000111.9H244 L363 I397 G398 I403 R404 I405H244-D401 IonicContact CE1-OD1 2.68Å; H244-D401 PolarHBondContact CE1-OD1 3.17Å; H244-D401 VanDerWaalsContact CE1-OD1 3.29Å; H244-D401 IonicContact NE2-OD1 3.74Å; L363-D401 HydrophobicContact CD2-CB 3.89Å; I397-D401 HydrophobicContact CG2-CB 3.62Å; G398-D401 PolarHBondContact O-N 2.94Å; D401-I403 VanDerWaalsContact C-N 3.34Å; D401-I403 PolarHBondContact O-N 3.46Å; D401-R404 WeakPolarHBondContact O-CB 3.47Å; D401-R404 PolarHBondContact O-N 3.2Å; D401-R404 IonicContact OD1-NH1 3.66Å; D401-R404 PolarHBondContact OD1-NH1 3.33Å; D401-I405 WeakPolarHBondContact O-CG1 3.42Å; D401-I405 PolarHBondContact O-N 3.47Å
402K96.3Very high94.5Very high9 Ų933.9 Ų33.94%0.03919%0.186CC..Hα-helixtrans-63.1-40.4171.9-65.3-178.4-174.7-1730112L392 D394 I397 G398 A399 I405 I406 A429 I431L392-K402 HydrophobicContact CD2-CB 3.88Å; L392-K402 HydrophobicContact CD2-CG 4.15Å; L392-K402 VanDerWaalsContact O-CE 3.25Å; L392-K402 WeakPolarHBondContact O-CE 3.49Å; L392-K402 PolarHBondContact O-NZ 3.08Å; D394-K402 WeakPolarHBondContact O-CE 3.27Å; D394-K402 PolarHBondContact O-NZ 2.95Å; I397-K402 HydrophobicContact CG2-CG 3.97Å; I397-K402 VanDerWaalsContact O-CE 3.24Å; I397-K402 WeakPolarHBondContact O-CE 3.42Å; G398-K402 WeakPolarHBondContact O-CG 2.94Å; G398-K402 PolarHBondContact O-N 3.08Å; G398-K402 VanDerWaalsContact O-N 3.12Å; A399-K402 PolarHBondContact O-N 3.11Å; K402-I405 PolarHBondContact O-N 2.93Å; K402-I406 VanDerWaalsContact O-CG1 3.3Å; K402-I406 WeakPolarHBondContact O-CG1 3.42Å; K402-I406 PolarHBondContact O-N 2.96Å; K402-A429 HydrophobicContact CB-CB 4.29Å; K402-A429 HydrophobicContact CD-CB 3.99Å; K402-A429 WeakPolarHBondContact CD-O 3.42Å; K402-A429 PolarHBondContact NZ-O 2.84Å; K402-I431 HydrophobicContact CB-CD1 4.33Å
403I97.3Very high94.3Very high0 Ų037.8 Ų37.80%020%0.203CC..Hα-helixtrans-62.6-44.6175.4-70.9165000110.6A399 Y400 D401 I405 I406 L407 I431 D435 I438 I439 L579A399-I403 VanDerWaalsContact O-CG1 3.26Å; A399-I403 WeakPolarHBondContact O-CG1 3.4Å; A399-I403 PolarHBondContact O-N 3.04Å; Y400-I403 WeakPolarHBondContact O-CB 3.39Å; Y400-I403 PolarHBondContact O-N 2.9Å; D401-I403 VanDerWaalsContact C-N 3.34Å; D401-I403 PolarHBondContact O-N 3.46Å; I403-I405 VanDerWaalsContact C-N 3.34Å; I403-I405 PolarHBondContact O-N 3.22Å; I403-I406 PolarHBondContact O-N 3.09Å; I403-L407 HydrophobicContact CG2-CD1 3.99Å; I403-L407 HydrophobicContact CG2-CG 4.32Å; I403-L407 WeakPolarHBondContact O-CG 3.28Å; I403-L407 PolarHBondContact O-N 3.39Å; I403-I431 HydrophobicContact CD1-CG2 4.05Å; I403-I431 HydrophobicContact CG1-CD1 3.76Å; I403-I431 HydrophobicContact CG1-CG1 4.38Å; I403-I431 HydrophobicContact CG1-CG2 4.24Å; I403-D435 HydrophobicContact CD1-CB 3.86Å; I403-I438 HydrophobicContact CD1-CD1 4.04Å; I403-I438 HydrophobicContact CG2-CB 4.46Å; I403-I438 HydrophobicContact CG2-CG2 4.02Å; I403-I439 HydrophobicContact CG1-CD1 4.4Å; I403-I439 HydrophobicContact CG2-CG1 3.98Å; I403-L579 HydrophobicContact CG2-CD2 4.05Å
404R97.3Very high93.8Very high4 Ų440.9 Ų40.92%0.01521%0.212CC..Hα-helixtrans-54.6-50.4175.2-68160.372.7160.913.9110.4V242 L243 H244 D254 Y400 D401 I406 L407 L408 L579V242-R404 HydrophobicContact CB-CG 4.32Å; V242-R404 PolarHBondContact O-NE 2.85Å; V242-R404 PolarHBondContact O-NH2 3.38Å; L243-R404 PolarHBondContact O-NH2 3.12Å; H244-R404 PolarHBondContact CD2-NH2 2.99Å; H244-R404 PolarHBondContact CE1-NH1 3.42Å; H244-R404 PolarHBondContact CE1-NH2 3.5Å; H244-R404 VanDerWaalsContact CG-NH2 3.25Å; H244-R404 VanDerWaalsContact N-NH2 3.16Å; H244-R404 VanDerWaalsContact ND1-CZ 3.32Å; H244-R404 PolarHBondContact ND1-NH2 2.99Å; H244-R404 PolarHBondContact NE2-NH1 3.02Å; D254-R404 IonicContact OD1-NH1 3.73Å; D254-R404 PolarHBondContact OD1-NH1 3.27Å; D254-R404 IonicContact OD1-NH2 2.67Å; D254-R404 IonicContact OD2-CZ 3.74Å; D254-R404 IonicContact OD2-NH1 3.19Å; D254-R404 PolarHBondContact OD2-NH1 3.48Å; D254-R404 IonicContact OD2-NH2 3.37Å; D254-R404 PolarHBondContact OD2-NH2 2.84Å; Y400-R404 VanDerWaalsContact O-CG 3.28Å; Y400-R404 WeakPolarHBondContact O-CG 3.42Å; Y400-R404 PolarHBondContact O-N 3.27Å; D401-R404 WeakPolarHBondContact O-CB 3.47Å; D401-R404 PolarHBondContact O-N 3.2Å; D401-R404 IonicContact OD1-NH1 3.66Å; D401-R404 PolarHBondContact OD1-NH1 3.33Å; R404-I406 PolarHBondContact O-N 3.27Å; R404-L407 WeakPolarHBondContact O-CB 3.47Å; R404-L407 PolarHBondContact O-N 2.91Å; R404-L408 VanDerWaalsContact O-CG 3.29Å; R404-L408 WeakPolarHBondContact O-CG 3.38Å; R404-L408 PolarHBondContact O-N 3.12Å; R404-L579 HydrophobicContact CG-CD1 4.02Å
405I96.8Very high93.4Very high0 Ų045.2 Ų45.20%023%0.229CC..Hα-helixtrans-60.8-42.8178.1-67.9-71.5000112.7L363 V366 E367 L370 I388 V391 L392 D401 K402 I403 L408 Y409L363-I405 HydrophobicContact CD1-CD1 3.56Å; L363-I405 HydrophobicContact CD1-CG1 3.44Å; L363-I405 VanDerWaalsContact CD1-CG1 3.44Å; L363-I405 HydrophobicContact CG-CD1 4.37Å; V366-I405 HydrophobicContact CB-CD1 4.42Å; V366-I405 HydrophobicContact CG1-CD1 4.09Å; E367-I405 HydrophobicContact CG-CD1 3.53Å; L370-I405 HydrophobicContact CD1-CD1 4.44Å; L370-I405 HydrophobicContact CD1-CG2 4.37Å; I388-I405 HydrophobicContact CB-CG2 3.91Å; I388-I405 HydrophobicContact CG2-CG2 3.77Å; V391-I405 HydrophobicContact CG1-CG1 4.12Å; L392-I405 HydrophobicContact CD2-CG2 4.37Å; D401-I405 WeakPolarHBondContact O-CG1 3.42Å; D401-I405 PolarHBondContact O-N 3.47Å; K402-I405 PolarHBondContact O-N 2.93Å; I403-I405 VanDerWaalsContact C-N 3.34Å; I403-I405 PolarHBondContact O-N 3.22Å; I405-L408 PolarHBondContact O-N 2.8Å; I405-Y409 WeakPolarHBondContact O-CB 3.16Å; I405-Y409 PolarHBondContact O-N 3.3Å
406I96.8Very high93.3Very high0 Ų038.7 Ų38.70%020%0.195CC..Hα-helixtrans-62.4-44.6177.2-69.2166.9000110.5L392 K402 I403 R404 Y409 I410 L422 L425 A429 I431 I439L392-I406 HydrophobicContact CD1-CG1 4.25Å; L392-I406 HydrophobicContact CD2-CD1 4.12Å; L392-I406 HydrophobicContact CD2-CG1 3.91Å; K402-I406 VanDerWaalsContact O-CG1 3.3Å; K402-I406 WeakPolarHBondContact O-CG1 3.42Å; K402-I406 PolarHBondContact O-N 2.96Å; I403-I406 PolarHBondContact O-N 3.09Å; R404-I406 PolarHBondContact O-N 3.27Å; I406-Y409 PolarHBondContact O-N 3.2Å; I406-I410 HydrophobicContact CG2-CD1 3.69Å; I406-I410 HydrophobicContact CG2-CG1 4.47Å; I406-I410 VanDerWaalsContact O-CD1 3.31Å; I406-I410 WeakPolarHBondContact O-CD1 3.45Å; I406-I410 VanDerWaalsContact O-CG1 3.23Å; I406-I410 WeakPolarHBondContact O-CG1 3.35Å; I406-I410 PolarHBondContact O-N 3.14Å; I406-L422 HydrophobicContact CG2-CD1 4.01Å; I406-L425 HydrophobicContact CD1-CB 4.35Å; I406-L425 HydrophobicContact CG1-CB 4.48Å; I406-A429 HydrophobicContact CD1-CB 4.18Å; I406-I431 HydrophobicContact CD1-CD1 3.54Å; I406-I439 HydrophobicContact CB-CD1 4.43Å; I406-I439 HydrophobicContact CD1-CD1 4.28Å; I406-I439 HydrophobicContact CG2-CD1 3.94Å
407L96.8Very high93.5Very high0 Ų032.3 Ų32.30%016%0.161CC..Hα-helixtrans-60.5-47.7176.7-71.9174.6000111.6V242 I403 R404 Y409 I410 F411 I439 I442 L579V242-L407 HydrophobicContact CG1-CD1 4.33Å; I403-L407 HydrophobicContact CG2-CD1 3.99Å; I403-L407 HydrophobicContact CG2-CG 4.32Å; I403-L407 WeakPolarHBondContact O-CG 3.28Å; I403-L407 PolarHBondContact O-N 3.39Å; R404-L407 WeakPolarHBondContact O-CB 3.47Å; R404-L407 PolarHBondContact O-N 2.91Å; L407-Y409 VanDerWaalsContact C-N 3.31Å; L407-Y409 PolarHBondContact O-N 2.87Å; L407-I410 WeakPolarHBondContact O-CB 3.4Å; L407-I410 PolarHBondContact O-N 2.94Å; L407-I410 VanDerWaalsContact O-N 3.17Å; L407-F411 HydrophobicContact CB-CE2 4.18Å; L407-F411 WeakPolarHBondContact O-CD2 3.11Å; L407-F411 VanDerWaalsContact O-CG 3.26Å; L407-F411 WeakPolarHBondContact O-CG 3.38Å; L407-F411 PolarHBondContact O-N 2.85Å; L407-I439 HydrophobicContact CD2-CG2 4.2Å; L407-I442 HydrophobicContact CD1-CD1 4.19Å; L407-I442 HydrophobicContact CD2-CB 4.5Å; L407-I442 HydrophobicContact CD2-CD1 4.13Å; L407-I442 HydrophobicContact CD2-CG2 3.82Å; L407-L579 HydrophobicContact CD1-CD2 4Å
408L96.7Very high93.5Very high1 Ų133 Ų331%0.00517%0.173CC..Hα-helixtrans-61.5-39.7177.3-66.1-179.6000112.1I239 V242 L243 E367 L370 V371 R404 I405 F411 H412I239-L408 HydrophobicContact CG1-CD2 4.47Å; I239-L408 HydrophobicContact CG2-CD2 3.96Å; V242-L408 HydrophobicContact CG2-CD2 3.6Å; V242-L408 HydrophobicContact CG2-CG 4.23Å; L243-L408 HydrophobicContact CD2-CD1 3.71Å; L243-L408 HydrophobicContact CD2-CD2 4.31Å; L243-L408 HydrophobicContact CG-CD2 4.47Å; E367-L408 HydrophobicContact CB-CD1 3.85Å; E367-L408 HydrophobicContact CG-CD1 3.66Å; L370-L408 HydrophobicContact CB-CB 4.26Å; L370-L408 HydrophobicContact CD1-CB 4.01Å; V371-L408 HydrophobicContact CG1-CD1 4.22Å; V371-L408 HydrophobicContact CG1-CD2 3.54Å; V371-L408 HydrophobicContact CG1-CG 4.29Å; R404-L408 VanDerWaalsContact O-CG 3.29Å; R404-L408 WeakPolarHBondContact O-CG 3.38Å; R404-L408 PolarHBondContact O-N 3.12Å; I405-L408 PolarHBondContact O-N 2.8Å; L408-F411 HydrophobicContact CD2-CD2 4.47Å; L408-F411 PolarHBondContact O-N 2.81Å; L408-H412 WeakPolarHBondContact O-CB 3.39Å; L408-H412 PolarHBondContact O-N 3.28Å
409Y95.8Very high93.5Very high16 Ų1635.3 Ų35.36%0.06317%0.173CC..Hα-helixtrans-62.6-42.3174.3173.3-107.9000112.5L370 A384 M385 I388 I405 I406 L407 H412 K413 I417 L425L370-Y409 HydrophobicContact CD2-CD2 4.15Å; A384-Y409 HydrophobicContact CB-CD2 4.04Å; A384-Y409 HydrophobicContact CB-CE2 3.88Å; M385-Y409 HydrophobicContact CG-CE2 4.32Å; M385-Y409 HydrophobicContact SD-CE1 3.92Å; M385-Y409 HydrophobicContact SD-CE2 4Å; M385-Y409 PolarHBondContact SD-OH 2.95Å; I388-Y409 HydrophobicContact CD1-CD1 3.91Å; I388-Y409 HydrophobicContact CD1-CD2 3.74Å; I388-Y409 HydrophobicContact CD1-CE1 4.25Å; I388-Y409 HydrophobicContact CD1-CE2 4.09Å; I388-Y409 HydrophobicContact CD1-CG 3.64Å; I405-Y409 WeakPolarHBondContact O-CB 3.16Å; I405-Y409 PolarHBondContact O-N 3.3Å; I406-Y409 PolarHBondContact O-N 3.2Å; L407-Y409 VanDerWaalsContact C-N 3.31Å; L407-Y409 PolarHBondContact O-N 2.87Å; Y409-H412 WeakPolarHBondContact O-CB 3.44Å; Y409-H412 PolarHBondContact O-N 3.29Å; Y409-K413 HydrophobicContact CE2-CD 4.47Å; Y409-K413 HydrophobicContact CE2-CG 4.33Å; Y409-K413 VanDerWaalsContact CZ-CE 3.49Å; Y409-K413 PolarHBondContact O-N 3.5Å; Y409-K413 WeakPolarHBondContact OH-CE 3.49Å; Y409-I417 HydrophobicContact CD1-CG2 4.4Å; Y409-I417 HydrophobicContact CE1-CG2 3.87Å; Y409-L425 HydrophobicContact CD1-CD1 3.93Å; Y409-L425 HydrophobicContact CE1-CD1 3.93Å
410I94.3Very high93.4Very high0 Ų040.4 Ų40.40%019%0.191CC..Hα-helixtrans-61.3-45.9175.6-69.7156.8000110.4I406 L407 H412 K413 I417 L422 I439 I449I406-I410 HydrophobicContact CG2-CD1 3.69Å; I406-I410 HydrophobicContact CG2-CG1 4.47Å; I406-I410 VanDerWaalsContact O-CD1 3.31Å; I406-I410 WeakPolarHBondContact O-CD1 3.45Å; I406-I410 VanDerWaalsContact O-CG1 3.23Å; I406-I410 WeakPolarHBondContact O-CG1 3.35Å; I406-I410 PolarHBondContact O-N 3.14Å; L407-I410 WeakPolarHBondContact O-CB 3.4Å; L407-I410 PolarHBondContact O-N 2.94Å; L407-I410 VanDerWaalsContact O-N 3.17Å; I410-H412 PolarHBondContact O-N 3.2Å; I410-K413 PolarHBondContact O-N 3.13Å; I410-I417 HydrophobicContact CD1-CD1 4.36Å; I410-I417 HydrophobicContact CG1-CD1 3.81Å; I410-I417 HydrophobicContact CG1-CG1 4.1Å; I410-I417 HydrophobicContact CG1-CG2 4.46Å; I410-L422 HydrophobicContact CD1-CD1 4.24Å; I410-I439 HydrophobicContact CD1-CG2 3.94Å; I410-I449 HydrophobicContact CD1-CG2 4.08Å; I410-I449 HydrophobicContact CG2-CB 4.35Å; I410-I449 HydrophobicContact CG2-CG1 4.46Å; I410-I449 HydrophobicContact CG2-CG2 4.23Å
411F93.1Very high93.3Very high16 Ų1641.9 Ų41.97%0.0720%0.203CC..Hα-helixtrans-64.6-39.1178.2-61.4-33.3000112.6P238 I239 L407 L408 K413 K414 I442 C447 L460P238-F411 HydrophobicContact CB-CE1 4.44Å; P238-F411 HydrophobicContact CB-CE2 3.92Å; P238-F411 HydrophobicContact CB-CZ 3.64Å; P238-F411 HydrophobicContact CG-CD2 4.42Å; P238-F411 HydrophobicContact CG-CE1 3.98Å; P238-F411 HydrophobicContact CG-CE2 3.84Å; P238-F411 HydrophobicContact CG-CZ 3.58Å; I239-F411 HydrophobicContact CD1-CB 4.26Å; I239-F411 HydrophobicContact CD1-CD2 4.48Å; I239-F411 HydrophobicContact CG1-CB 4.32Å; I239-F411 HydrophobicContact CG1-CD2 3.65Å; I239-F411 HydrophobicContact CG1-CE2 4.29Å; I239-F411 HydrophobicContact CG1-CG 4.24Å; L407-F411 HydrophobicContact CB-CE2 4.18Å; L407-F411 WeakPolarHBondContact O-CD2 3.11Å; L407-F411 VanDerWaalsContact O-CG 3.26Å; L407-F411 WeakPolarHBondContact O-CG 3.38Å; L407-F411 PolarHBondContact O-N 2.85Å; L408-F411 HydrophobicContact CD2-CD2 4.47Å; L408-F411 PolarHBondContact O-N 2.81Å; F411-K413 VanDerWaalsContact C-N 3.26Å; F411-K413 PolarHBondContact O-N 3.11Å; F411-K414 PolarHBondContact O-N 3Å; F411-I442 HydrophobicContact CE2-CD1 4.49Å; F411-I442 HydrophobicContact CZ-CD1 3.8Å; F411-C447 HydrophobicContact CE1-CB 4Å; F411-L460 HydrophobicContact CB-CD1 4.04Å; F411-L460 HydrophobicContact CD1-CD1 4.26Å; F411-L460 HydrophobicContact CG-CD1 4.17Å
412H91.8Very high93.2Very high45 Ų4540.3 Ų40.321%0.20819%0.194CC..Hα-helixtrans-57.4-37.7174174.582.8000112.3L370 L408 Y409 I410 K414L370-H412 HydrophobicContact CD2-CB 4.42Å; L370-H412 WeakPolarHBondContact O-CB 3.19Å; L370-H412 PolarHBondContact O-ND1 3.36Å; L408-H412 WeakPolarHBondContact O-CB 3.39Å; L408-H412 PolarHBondContact O-N 3.28Å; Y409-H412 WeakPolarHBondContact O-CB 3.44Å; Y409-H412 PolarHBondContact O-N 3.29Å; I410-H412 PolarHBondContact O-N 3.2Å; H412-K414 PolarHBondContact O-N 3.25Å
413K89.3Confident93.1Very high85 Ų8542.3 Ų42.337%0.3721%0.207SC..THydrogen-bonded Turntrans-71.3-11.2177.9-66.2-60.9-178.7-169.60114.2Y409 I410 F411 K415 I417Y409-K413 HydrophobicContact CE2-CD 4.47Å; Y409-K413 HydrophobicContact CE2-CG 4.33Å; Y409-K413 VanDerWaalsContact CZ-CE 3.49Å; Y409-K413 PolarHBondContact O-N 3.5Å; Y409-K413 WeakPolarHBondContact OH-CE 3.49Å; I410-K413 PolarHBondContact O-N 3.13Å; F411-K413 VanDerWaalsContact C-N 3.26Å; F411-K413 PolarHBondContact O-N 3.11Å; K413-K415 PolarHBondContact O-N 2.88Å; K413-I417 HydrophobicContact CB-CG2 4.29Å; K413-I417 HydrophobicContact CG-CG2 3.98Å
414K83.2Confident92.9Very high159 Ų15947.3 Ų47.369%0.69123%0.229SC*.SBendtrans60.8-41.3179.5-57.8-175.8178.1-175.10116F411 H412F411-K414 PolarHBondContact O-N 3Å; H412-K414 PolarHBondContact O-N 3.25Å
415K85Confident92.8Very high152 Ų15247.5 Ų47.566%0.66123%0.23SC*.SBendtrans-96.511.2179.7-62.5-174.6178.7-178.40112.9K413 N448 T451K413-K415 PolarHBondContact O-N 2.88Å; K415-N448 PolarHBondContact O-ND2 3.49Å; K415-T451 VanDerWaalsContact O-CA 3.29Å; K415-T451 WeakPolarHBondContact O-CA 3.43Å; K415-T451 PolarHBondContact O-OG1 3.32Å
416G88.1Confident92.7Very high6 Ų648.4 Ų48.46%0.06224%0.235CC..  trans72.5-166.2-170.400000112.9I449 T451G416-I449 CarbonylContact C-O 3.39Å; G416-I449 WeakPolarHBondContact CA-O 3.39Å; G416-T451 PolarHBondContact O-OG1 3.05Å
417I92.5Very high92.5Very high9 Ų954.8 Ų54.85%0.04627%0.265CS..BIsolated β-bridgetrans-127.8163.9179.464176.2000111.2Y409 I410 K413 L422 L425 I449 I450 T451Y409-I417 HydrophobicContact CD1-CG2 4.4Å; Y409-I417 HydrophobicContact CE1-CG2 3.87Å; I410-I417 HydrophobicContact CD1-CD1 4.36Å; I410-I417 HydrophobicContact CG1-CD1 3.81Å; I410-I417 HydrophobicContact CG1-CG1 4.1Å; I410-I417 HydrophobicContact CG1-CG2 4.46Å; K413-I417 HydrophobicContact CB-CG2 4.29Å; K413-I417 HydrophobicContact CG-CG2 3.98Å; I417-L422 HydrophobicContact CD1-CB 3.71Å; I417-L422 HydrophobicContact CD1-CD1 4.05Å; I417-L422 HydrophobicContact CD1-CG 4.42Å; I417-L422 HydrophobicContact CG1-CB 4.11Å; I417-L425 HydrophobicContact CD1-CD1 3.83Å; I417-I449 PolarHBondContact N-O 3.42Å; I417-I450 VanDerWaalsContact O-CA 3.31Å; I417-I450 WeakPolarHBondContact O-CA 3.38Å; I417-T451 PolarHBondContact N-OG1 3.15Å; I417-T451 PolarHBondContact O-N 3.42Å
418G93.3Very high92.2Very high32 Ų3260.2 Ų60.233%0.3329%0.29SS..  trans-68.2145.6173.600000111.9E420 N421 L422G418-E420 VanDerWaalsContact C-N 3.29Å; G418-E420 PolarHBondContact O-N 2.73Å; G418-N421 WeakPolarHBondContact O-CB 3.31Å; G418-N421 PolarHBondContact O-N 3.03Å; G418-L422 PolarHBondContact O-N 2.94Å
419Q92.3Very high92Very high83 Ų8360.3 Ų60.339%0.38829%0.291SS..Hα-helixtrans-55.3-42.7-179.1-175.162.337.700112.5N421 L422 T423 Y440 I450Q419-N421 VanDerWaalsContact C-N 3.31Å; Q419-N421 PolarHBondContact O-N 3.5Å; Q419-L422 PolarHBondContact O-N 3.44Å; Q419-T423 PolarHBondContact O-N 2.7Å; Q419-T423 PolarHBondContact O-OG1 3.47Å; Q419-T423 VanDerWaalsContact O-OG1 3.08Å; Q419-Y440 PolarHBondContact NE2-OH 2.88Å; Q419-I450 HydrophobicContact CB-CD1 4.46Å
420E92.9Very high91.9Very high144 Ų14466 Ų6667%0.67332%0.323SS*.Hα-helixtrans-62.6-38.1177.4-64.7-176.4-177.100112.6G418 T423 K424G418-E420 VanDerWaalsContact C-N 3.29Å; G418-E420 PolarHBondContact O-N 2.73Å; E420-T423 PolarHBondContact O-N 3.02Å; E420-K424 VanDerWaalsContact O-CG 3.3Å; E420-K424 WeakPolarHBondContact O-CG 3.46Å; E420-K424 PolarHBondContact O-N 3.19Å
421N93Very high91.9Very high85 Ų8566.8 Ų66.846%0.45533%0.326SS..Hα-helixtrans-68.4-40.9178-70.2-9000110.7G418 Q419 K424 L425G418-N421 WeakPolarHBondContact O-CB 3.31Å; G418-N421 PolarHBondContact O-N 3.03Å; Q419-N421 VanDerWaalsContact C-N 3.31Å; Q419-N421 PolarHBondContact O-N 3.5Å; N421-K424 PolarHBondContact O-N 3.13Å; N421-L425 WeakPolarHBondContact O-CG 3.39Å; N421-L425 PolarHBondContact O-N 3.33Å
422L94.4Very high92Very high0 Ų069.3 Ų69.30%034%0.343CS..Hα-helixtrans-61.4-47.6175179.356000111.3I406 I410 I417 G418 Q419 K424 L425 I426 I439 Y440 I449 I450I406-L422 HydrophobicContact CG2-CD1 4.01Å; I410-L422 HydrophobicContact CD1-CD1 4.24Å; I417-L422 HydrophobicContact CD1-CB 3.71Å; I417-L422 HydrophobicContact CD1-CD1 4.05Å; I417-L422 HydrophobicContact CD1-CG 4.42Å; I417-L422 HydrophobicContact CG1-CB 4.11Å; G418-L422 PolarHBondContact O-N 2.94Å; Q419-L422 PolarHBondContact O-N 3.44Å; L422-K424 VanDerWaalsContact C-N 3.28Å; L422-K424 PolarHBondContact O-N 3.37Å; L422-L425 PolarHBondContact O-N 3.29Å; L422-L425 VanDerWaalsContact O-N 3.13Å; L422-I426 HydrophobicContact CD1-CD1 3.89Å; L422-I426 HydrophobicContact CD1-CG1 4.11Å; L422-I426 HydrophobicContact CG-CD1 3.82Å; L422-I426 HydrophobicContact CG-CG1 4.47Å; L422-I426 WeakPolarHBondContact O-CG1 3.42Å; L422-I426 PolarHBondContact O-N 3.43Å; L422-I439 HydrophobicContact CD1-CG2 4Å; L422-I439 HydrophobicContact CD2-CG2 4.26Å; L422-Y440 HydrophobicContact CD2-CD1 4.34Å; L422-Y440 HydrophobicContact CD2-CE1 3.58Å; L422-I449 HydrophobicContact CD2-CG2 4.01Å; L422-I450 HydrophobicContact CB-CD1 4.39Å; L422-I450 HydrophobicContact CD2-CD1 3.79Å
423T94.1Very high92Very high52 Ų5275.4 Ų75.432%0.31937%0.372SS..Hα-helixtrans-57.6-42.6177.5-58.60000111.5Q419 E420 I426 Q427Q419-T423 PolarHBondContact O-N 2.7Å; Q419-T423 PolarHBondContact O-OG1 3.47Å; Q419-T423 VanDerWaalsContact O-OG1 3.08Å; E420-T423 PolarHBondContact O-N 3.02Å; T423-I426 PolarHBondContact O-N 2.6Å; T423-Q427 WeakPolarHBondContact O-CB 3.5Å; T423-Q427 VanDerWaalsContact O-CG 3.27Å; T423-Q427 WeakPolarHBondContact O-CG 3.35Å; T423-Q427 PolarHBondContact O-N 3.19Å
424K94.1Very high92.1Very high104 Ų10476.9 Ų76.945%0.45238%0.38SS..Hα-helixtrans-63.2-43.1175.7-72.7170.9-174170.20112.1E420 N421 L422 I426 Q427 H428E420-K424 VanDerWaalsContact O-CG 3.3Å; E420-K424 WeakPolarHBondContact O-CG 3.46Å; E420-K424 PolarHBondContact O-N 3.19Å; N421-K424 PolarHBondContact O-N 3.13Å; L422-K424 VanDerWaalsContact C-N 3.28Å; L422-K424 PolarHBondContact O-N 3.37Å; K424-I426 PolarHBondContact O-N 3.14Å; K424-Q427 PolarHBondContact O-N 3.19Å; K424-H428 WeakPolarHBondContact O-CB 3.34Å; K424-H428 PolarHBondContact O-CD2 3.28Å; K424-H428 PolarHBondContact O-N 2.78Å
425L94.8Very high92.7Very high8 Ų870.2 Ų70.24%0.04235%0.352CS..Hα-helixtrans-60.7-45.2176.9-71.6171.6000111.5M385 I388 L392 I406 Y409 I417 N421 L422 Q427 H428 A429M385-L425 HydrophobicContact CE-CD2 3.91Å; M385-L425 HydrophobicContact SD-CD2 4.32Å; I388-L425 HydrophobicContact CD1-CD2 4.03Å; L392-L425 HydrophobicContact CD1-CD2 3.61Å; I406-L425 HydrophobicContact CD1-CB 4.35Å; I406-L425 HydrophobicContact CG1-CB 4.48Å; Y409-L425 HydrophobicContact CD1-CD1 3.93Å; Y409-L425 HydrophobicContact CE1-CD1 3.93Å; I417-L425 HydrophobicContact CD1-CD1 3.83Å; N421-L425 WeakPolarHBondContact O-CG 3.39Å; N421-L425 PolarHBondContact O-N 3.33Å; L422-L425 PolarHBondContact O-N 3.29Å; L422-L425 VanDerWaalsContact O-N 3.13Å; L425-Q427 VanDerWaalsContact C-N 3.34Å; L425-Q427 PolarHBondContact O-N 3.09Å; L425-H428 PolarHBondContact O-N 2.99Å; L425-A429 WeakPolarHBondContact O-CB 3.31Å; L425-A429 PolarHBondContact O-N 2.87Å
426I94.7Very high93.2Very high19 Ų1963.8 Ų63.810%0.09733%0.326CS..Hα-helixtrans-61.4-43.8177.3-67.7167.2000110.7L422 T423 K424 A429 N430 I431 I439 Y440L422-I426 HydrophobicContact CD1-CD1 3.89Å; L422-I426 HydrophobicContact CD1-CG1 4.11Å; L422-I426 HydrophobicContact CG-CD1 3.82Å; L422-I426 HydrophobicContact CG-CG1 4.47Å; L422-I426 WeakPolarHBondContact O-CG1 3.42Å; L422-I426 PolarHBondContact O-N 3.43Å; T423-I426 PolarHBondContact O-N 2.6Å; K424-I426 PolarHBondContact O-N 3.14Å; I426-A429 PolarHBondContact O-N 2.85Å; I426-N430 PolarHBondContact O-N 2.89Å; I426-I431 HydrophobicContact CG2-CB 4.25Å; I426-I431 PolarHBondContact O-N 3.11Å; I426-I439 HydrophobicContact CD1-CD1 4.25Å; I426-I439 HydrophobicContact CG1-CD1 3.98Å; I426-Y440 HydrophobicContact CD1-CE2 4.08Å
427Q92.7Very high93.5Very high135 Ų13568.8 Ų68.863%0.63135%0.346SS*.Hα-helixtrans-64.5-46.9177.7-75175-5.200112.3T423 K424 L425 A429 N430T423-Q427 WeakPolarHBondContact O-CB 3.5Å; T423-Q427 VanDerWaalsContact O-CG 3.27Å; T423-Q427 WeakPolarHBondContact O-CG 3.35Å; T423-Q427 PolarHBondContact O-N 3.19Å; K424-Q427 PolarHBondContact O-N 3.19Å; L425-Q427 VanDerWaalsContact C-N 3.34Å; L425-Q427 PolarHBondContact O-N 3.09Å; Q427-A429 VanDerWaalsContact C-N 3.28Å; Q427-A429 PolarHBondContact O-N 3.06Å; Q427-N430 PolarHBondContact O-N 3.45Å; Q427-N430 VanDerWaalsContact O-N 3.16Å
428H90.4Very high93.6Very high114 Ų11468.3 Ų68.353%0.52834%0.344SS..Hα-helixtrans-65-33178.1-72.9-52.8000112.7L393 K424 L425 N430L393-H428 HydrophobicContact CD2-CB 4.28Å; K424-H428 WeakPolarHBondContact O-CB 3.34Å; K424-H428 PolarHBondContact O-CD2 3.28Å; K424-H428 PolarHBondContact O-N 2.78Å; L425-H428 PolarHBondContact O-N 2.99Å; H428-N430 PolarHBondContact O-N 3.2Å
429A93.3Very high93.8Very high3 Ų366.8 Ų66.83%0.02533%0.328CS..THydrogen-bonded Turntrans-76.7-8.6177.100000113.9L392 K402 I406 L425 I426 Q427 I431L392-A429 HydrophobicContact CB-CB 4.23Å; L392-A429 HydrophobicContact CD2-CB 4.09Å; K402-A429 HydrophobicContact CB-CB 4.29Å; K402-A429 HydrophobicContact CD-CB 3.99Å; K402-A429 WeakPolarHBondContact CD-O 3.42Å; K402-A429 PolarHBondContact NZ-O 2.84Å; I406-A429 HydrophobicContact CD1-CB 4.18Å; L425-A429 WeakPolarHBondContact O-CB 3.31Å; L425-A429 PolarHBondContact O-N 2.87Å; I426-A429 PolarHBondContact O-N 2.85Å; Q427-A429 VanDerWaalsContact C-N 3.28Å; Q427-A429 PolarHBondContact O-N 3.06Å; A429-I431 VanDerWaalsContact C-N 3.26Å; A429-I431 HydrophobicContact CB-CD1 3.52Å; A429-I431 HydrophobicContact CB-CG1 3.68Å; A429-I431 PolarHBondContact O-N 2.97Å
430N93.6Very high93.8Very high136 Ų13665.8 Ų65.873%0.72732%0.321SS*.THydrogen-bonded Turntrans53.140.9-174.5-166.437.2000113I426 Q427 H428I426-N430 PolarHBondContact O-N 2.89Å; Q427-N430 PolarHBondContact O-N 3.45Å; Q427-N430 VanDerWaalsContact O-N 3.16Å; H428-N430 PolarHBondContact O-N 3.2Å
431I94.5Very high93.9Very high15 Ų1560 Ų608%0.07730%0.295CS..  trans-82.2137.5179.4-63.4163.2000109.2K402 I403 I406 I426 A429 D435K402-I431 HydrophobicContact CB-CD1 4.33Å; I403-I431 HydrophobicContact CD1-CG2 4.05Å; I403-I431 HydrophobicContact CG1-CD1 3.76Å; I403-I431 HydrophobicContact CG1-CG1 4.38Å; I403-I431 HydrophobicContact CG1-CG2 4.24Å; I406-I431 HydrophobicContact CD1-CD1 3.54Å; I426-I431 HydrophobicContact CG2-CB 4.25Å; I426-I431 PolarHBondContact O-N 3.11Å; A429-I431 VanDerWaalsContact C-N 3.26Å; A429-I431 HydrophobicContact CB-CD1 3.52Å; A429-I431 HydrophobicContact CB-CG1 3.68Å; A429-I431 PolarHBondContact O-N 2.97Å; I431-D435 HydrophobicContact CG2-CB 3.83Å
432T94.3Very high93.9Very high70 Ų7056 Ų5643%0.42927%0.274SS..  trans-64.7155.4178.474.30000111.3E434 D435 S436T432-E434 PolarHBondContact O-N 3.5Å; T432-D435 PolarHBondContact O-N 3.04Å; T432-D435 WeakPolarHBondContact OG1-CB 3.34Å; T432-D435 PolarHBondContact OG1-N 3.4Å; T432-D435 PolarHBondContact OG1-OD2 2.97Å; T432-S436 WeakPolarHBondContact O-CB 3.33Å; T432-S436 PolarHBondContact O-N 3.32Å
433Q90.8Very high93.7Very high172 Ų17257.6 Ų57.680%0.80428%0.281SS*.Hα-helixtrans-59.8-34.9175.5-71.1-175-8.100111.9S436Q433-S436 PolarHBondContact O-N 3.4Å; Q433-S436 PolarHBondContact O-OG 2.91Å
434E93Very high93.6Very high116 Ų11656.5 Ų56.554%0.54227%0.273SS..Hα-helixtrans-67.4-45.5179.6-156.1-167.7134.300111.9T432 S436 K437 K583T432-E434 PolarHBondContact O-N 3.5Å; E434-S436 VanDerWaalsContact C-N 3.32Å; E434-K437 VanDerWaalsContact O-CB 3.3Å; E434-K437 WeakPolarHBondContact O-CB 3.36Å; E434-K437 WeakPolarHBondContact O-CG 3.41Å; E434-K437 PolarHBondContact O-N 3.4Å; E434-K583 VanDerWaalsContact CG-CE 3.47Å; E434-K583 WeakPolarHBondContact OE1-CE 3.49Å; E434-K583 IonicContact OE1-NZ 2.59Å; E434-K583 PolarHBondContact OE1-NZ 3.23Å
435D94.9Very high93.4Very high20 Ų2051.8 Ų51.811%0.10725%0.253CS..Hα-helixtrans-74.2-26.8178.6-56.8-35.8000111.7I403 I431 T432 K437 I438 K583I403-D435 HydrophobicContact CD1-CB 3.86Å; I431-D435 HydrophobicContact CG2-CB 3.83Å; T432-D435 PolarHBondContact O-N 3.04Å; T432-D435 WeakPolarHBondContact OG1-CB 3.34Å; T432-D435 PolarHBondContact OG1-N 3.4Å; T432-D435 PolarHBondContact OG1-OD2 2.97Å; D435-K437 PolarHBondContact O-N 3.23Å; D435-I438 HydrophobicContact CB-CD1 4.31Å; D435-I438 WeakPolarHBondContact O-CB 3.2Å; D435-I438 WeakPolarHBondContact O-CD1 3.18Å; D435-I438 VanDerWaalsContact O-CG1 3.27Å; D435-I438 WeakPolarHBondContact O-CG1 3.37Å; D435-I438 PolarHBondContact O-N 3.22Å; D435-K583 WeakPolarHBondContact OD1-CE 3.45Å; D435-K583 IonicContact OD1-NZ 3.02Å; D435-K583 PolarHBondContact OD1-NZ 2.8Å
436S94.6Very high93.2Very high17 Ų1752.7 Ų52.712%0.11926%0.264CS..Hα-helixtrans-61.7-25174.780.80000112.9T432 Q433 E434 I438 I439 Y440T432-S436 WeakPolarHBondContact O-CB 3.33Å; T432-S436 PolarHBondContact O-N 3.32Å; Q433-S436 PolarHBondContact O-N 3.4Å; Q433-S436 PolarHBondContact O-OG 2.91Å; E434-S436 VanDerWaalsContact C-N 3.32Å; S436-I438 PolarHBondContact O-N 3.45Å; S436-I439 PolarHBondContact O-N 3.28Å; S436-I439 VanDerWaalsContact O-N 3.12Å; S436-Y440 VanDerWaalsContact O-CD2 3.27Å; S436-Y440 WeakPolarHBondContact O-CD2 3.17Å; S436-Y440 PolarHBondContact O-N 3.48Å
437K94.4Very high93Very high110 Ų11052 Ų5248%0.47826%0.261SS..Hα-helixtrans-57.7-33.5173.4-65-179.1178-178.10111.9E434 D435 I439 Y440 N441E434-K437 VanDerWaalsContact O-CB 3.3Å; E434-K437 WeakPolarHBondContact O-CB 3.36Å; E434-K437 WeakPolarHBondContact O-CG 3.41Å; E434-K437 PolarHBondContact O-N 3.4Å; D435-K437 PolarHBondContact O-N 3.23Å; K437-I439 PolarHBondContact O-N 3.29Å; K437-Y440 PolarHBondContact O-N 2.94Å; K437-Y440 VanDerWaalsContact O-N 3.1Å; K437-N441 WeakPolarHBondContact O-CB 3.47Å; K437-N441 PolarHBondContact O-N 3.18Å; K437-N441 PolarHBondContact O-OD1 2.93Å
438I96.3Very high92.9Very high0 Ų046.3 Ų46.30%024%0.235CC..Hα-helixtrans-54.7-43.8178-62.1166.7000110.3Y400 I403 D435 S436 I442 L579 L582 K583Y400-I438 HydrophobicContact CE1-CD1 4.43Å; I403-I438 HydrophobicContact CD1-CD1 4.04Å; I403-I438 HydrophobicContact CG2-CB 4.46Å; I403-I438 HydrophobicContact CG2-CG2 4.02Å; D435-I438 HydrophobicContact CB-CD1 4.31Å; D435-I438 WeakPolarHBondContact O-CB 3.2Å; D435-I438 WeakPolarHBondContact O-CD1 3.18Å; D435-I438 VanDerWaalsContact O-CG1 3.27Å; D435-I438 WeakPolarHBondContact O-CG1 3.37Å; D435-I438 PolarHBondContact O-N 3.22Å; S436-I438 PolarHBondContact O-N 3.45Å; I438-I442 PolarHBondContact O-N 3.1Å; I438-L579 HydrophobicContact CD1-CB 4.34Å; I438-L579 WeakPolarHBondContact CG1-O 3.38Å; I438-L579 HydrophobicContact CG2-CB 4.23Å; I438-L579 HydrophobicContact CG2-CD2 3.65Å; I438-L582 HydrophobicContact CG2-CB 4.02Å; I438-L582 HydrophobicContact CG2-CD1 4.18Å; I438-K583 HydrophobicContact CD1-CB 4.2Å; I438-K583 HydrophobicContact CD1-CD 4.23Å; I438-K583 HydrophobicContact CD1-CG 4.34Å; I438-K583 HydrophobicContact CG1-CB 3.66Å; I438-K583 HydrophobicContact CG1-CD 4.37Å; I438-K583 HydrophobicContact CG1-CG 3.94Å
439I95.8Very high93Very high0 Ų040.9 Ų40.90%021%0.21CC..Hα-helixtrans-63.8-52.4178.6-57.8166000108.9I403 I406 L407 I410 L422 I426 S436 K437 N441 I442 I449I403-I439 HydrophobicContact CG1-CD1 4.4Å; I403-I439 HydrophobicContact CG2-CG1 3.98Å; I406-I439 HydrophobicContact CB-CD1 4.43Å; I406-I439 HydrophobicContact CD1-CD1 4.28Å; I406-I439 HydrophobicContact CG2-CD1 3.94Å; L407-I439 HydrophobicContact CD2-CG2 4.2Å; I410-I439 HydrophobicContact CD1-CG2 3.94Å; L422-I439 HydrophobicContact CD1-CG2 4Å; L422-I439 HydrophobicContact CD2-CG2 4.26Å; I426-I439 HydrophobicContact CD1-CD1 4.25Å; I426-I439 HydrophobicContact CG1-CD1 3.98Å; S436-I439 PolarHBondContact O-N 3.28Å; S436-I439 VanDerWaalsContact O-N 3.12Å; K437-I439 PolarHBondContact O-N 3.29Å; I439-N441 VanDerWaalsContact C-N 3.34Å; I439-N441 PolarHBondContact O-N 3.35Å; I439-I442 WeakPolarHBondContact O-CG2 3.27Å; I439-I442 PolarHBondContact O-N 3.49Å; I439-I449 HydrophobicContact CG2-CD1 4.48Å; I439-I449 WeakPolarHBondContact O-CD1 3.5Å
440Y93.6Very high92.9Very high62 Ų6241.8 Ų41.824%0.24321%0.214CC..Hα-helixtrans-63.7-38.5-178.5-65.7-73000113.5Q419 L422 I426 S436 K437 I442 Q443Q419-Y440 PolarHBondContact NE2-OH 2.88Å; L422-Y440 HydrophobicContact CD2-CD1 4.34Å; L422-Y440 HydrophobicContact CD2-CE1 3.58Å; I426-Y440 HydrophobicContact CD1-CE2 4.08Å; S436-Y440 VanDerWaalsContact O-CD2 3.27Å; S436-Y440 WeakPolarHBondContact O-CD2 3.17Å; S436-Y440 PolarHBondContact O-N 3.48Å; K437-Y440 PolarHBondContact O-N 2.94Å; K437-Y440 VanDerWaalsContact O-N 3.1Å; Y440-I442 VanDerWaalsContact C-N 3.25Å; Y440-I442 PolarHBondContact O-N 3.26Å; Y440-Q443 WeakPolarHBondContact O-CB 3.3Å; Y440-Q443 VanDerWaalsContact O-CG 3.29Å; Y440-Q443 WeakPolarHBondContact O-CG 3.32Å; Y440-Q443 PolarHBondContact O-N 3.13Å; Y440-Q443 VanDerWaalsContact O-N 3.09Å
441N94Very high92.7Very high23 Ų2339.1 Ų39.112%0.12320%0.202CC..Hα-helixtrans-69.4-19.3-174.8-74.80.1000113.6K437 I439 Q443 N444 L582 L585K437-N441 WeakPolarHBondContact O-CB 3.47Å; K437-N441 PolarHBondContact O-N 3.18Å; K437-N441 PolarHBondContact O-OD1 2.93Å; I439-N441 VanDerWaalsContact C-N 3.34Å; I439-N441 PolarHBondContact O-N 3.35Å; N441-Q443 PolarHBondContact O-N 2.87Å; N441-Q443 VanDerWaalsContact O-N 3.07Å; N441-N444 WeakPolarHBondContact O-CB 3.31Å; N441-N444 PolarHBondContact O-N 3.06Å; N441-L582 WeakPolarHBondContact CB-O 3.24Å; N441-L582 PolarHBondContact ND2-O 3.13Å; N441-L585 HydrophobicContact CB-CB 4.11Å; N441-L585 PolarHBondContact ND2-O 3.18Å
442I92.9Very high92.2Very high0 Ų041.4 Ų41.40%023%0.229CC..THydrogen-bonded Turntrans-63.7-13.6172.5-149.2159.5000112.1P238 L407 F411 I438 I439 Y440 N444 I445 C447 I449 F578 L582P238-I442 HydrophobicContact CB-CD1 4.3Å; L407-I442 HydrophobicContact CD1-CD1 4.19Å; L407-I442 HydrophobicContact CD2-CB 4.5Å; L407-I442 HydrophobicContact CD2-CD1 4.13Å; L407-I442 HydrophobicContact CD2-CG2 3.82Å; F411-I442 HydrophobicContact CE2-CD1 4.49Å; F411-I442 HydrophobicContact CZ-CD1 3.8Å; I438-I442 PolarHBondContact O-N 3.1Å; I439-I442 WeakPolarHBondContact O-CG2 3.27Å; I439-I442 PolarHBondContact O-N 3.49Å; Y440-I442 VanDerWaalsContact C-N 3.25Å; Y440-I442 PolarHBondContact O-N 3.26Å; I442-N444 PolarHBondContact O-N 2.94Å; I442-I445 HydrophobicContact CD1-CD1 4.21Å; I442-I445 HydrophobicContact CG1-CD1 3.5Å; I442-I445 HydrophobicContact CG1-CG1 3.7Å; I442-I445 WeakPolarHBondContact O-CG1 3.41Å; I442-I445 PolarHBondContact O-N 3.16Å; I442-C447 HydrophobicContact CG1-CB 4.41Å; I442-C447 HydrophobicContact CG2-CB 4.29Å; I442-C447 WeakPolarHBondContact O-CB 3.19Å; I442-C447 PolarHBondContact O-N 2.82Å; I442-I449 HydrophobicContact CB-CD1 4.45Å; I442-I449 HydrophobicContact CG2-CD1 3.23Å; I442-I449 HydrophobicContact CG2-CG1 3.8Å; I442-F578 HydrophobicContact CD1-CE1 4.38Å; I442-L582 HydrophobicContact CB-CD1 4.35Å; I442-L582 HydrophobicContact CB-CD2 4.47Å; I442-L582 HydrophobicContact CD1-CD1 3.81Å; I442-L582 HydrophobicContact CG1-CD1 4.09Å; I442-L582 HydrophobicContact CG1-CD2 4.26Å
443Q91.9Very high91.7Very high34 Ų3439.3 Ų39.316%0.15922%0.222CC..THydrogen-bonded Turntrans-65.7-26.7169-62-175.3-71.400113Y440 N441 I445 G446 I449 N455Y440-Q443 WeakPolarHBondContact O-CB 3.3Å; Y440-Q443 VanDerWaalsContact O-CG 3.29Å; Y440-Q443 WeakPolarHBondContact O-CG 3.32Å; Y440-Q443 PolarHBondContact O-N 3.13Å; Y440-Q443 VanDerWaalsContact O-N 3.09Å; N441-Q443 PolarHBondContact O-N 2.87Å; N441-Q443 VanDerWaalsContact O-N 3.07Å; Q443-I445 VanDerWaalsContact C-N 3.27Å; Q443-I445 PolarHBondContact O-N 3.4Å; Q443-G446 PolarHBondContact O-N 2.9Å; Q443-I449 HydrophobicContact CG-CB 3.97Å; Q443-I449 HydrophobicContact CG-CD1 3.37Å; Q443-I449 HydrophobicContact CG-CG1 3.56Å; Q443-N455 PolarHBondContact O-ND2 2.87Å
444N91.1Very high91.4Very high29 Ų2938.6 Ų38.616%0.15521%0.212CC..THydrogen-bonded Turntrans-70-26.3179.8-69.5-24.8000112.1Y156 N441 I442 G446 R454 L585Y156-N444 WeakPolarHBondContact CD1-O 3.42Å; N441-N444 WeakPolarHBondContact O-CB 3.31Å; N441-N444 PolarHBondContact O-N 3.06Å; I442-N444 PolarHBondContact O-N 2.94Å; N444-G446 PolarHBondContact O-N 2.87Å; N444-R454 PolarHBondContact OD1-NH1 2.92Å; N444-L585 HydrophobicContact CB-CD1 4.19Å
445I90.7Very high91.1Very high5 Ų534 Ų343%0.02619%0.191CC..THydrogen-bonded Turntrans-83.410.4171.169.1163.4000113.1Y156 G235 P238 I442 Q443 F578 L582 L585Y156-I445 HydrophobicContact CD1-CB 4.16Å; Y156-I445 HydrophobicContact CD1-CG2 3.86Å; Y156-I445 HydrophobicContact CD2-CG2 3.73Å; Y156-I445 HydrophobicContact CE1-CB 3.96Å; Y156-I445 HydrophobicContact CE1-CG2 3.96Å; Y156-I445 HydrophobicContact CE2-CG2 3.85Å; Y156-I445 HydrophobicContact CG-CG2 3.75Å; G235-I445 VanDerWaalsContact CA-O 3.22Å; G235-I445 WeakPolarHBondContact CA-O 3.36Å; P238-I445 HydrophobicContact CB-CD1 4.21Å; I442-I445 HydrophobicContact CD1-CD1 4.21Å; I442-I445 HydrophobicContact CG1-CD1 3.5Å; I442-I445 HydrophobicContact CG1-CG1 3.7Å; I442-I445 WeakPolarHBondContact O-CG1 3.41Å; I442-I445 PolarHBondContact O-N 3.16Å; Q443-I445 VanDerWaalsContact C-N 3.27Å; Q443-I445 PolarHBondContact O-N 3.4Å; I445-F578 HydrophobicContact CD1-CZ 4.16Å; I445-L582 HydrophobicContact CG2-CD2 4.27Å; I445-L585 HydrophobicContact CG2-CD1 4.35Å
446G89.1Confident90.4Very high26 Ų2636.9 Ų36.927%0.26821%0.21SC..THydrogen-bonded Turntrans89.54.5175.100000115.4Q443 N444 N458Q443-G446 PolarHBondContact O-N 2.9Å; N444-G446 PolarHBondContact O-N 2.87Å; G446-N458 PolarHBondContact O-ND2 2.83Å
447C91.2Very high89.5Confident5 Ų539 Ų393%0.03423%0.233CC..  trans-76.5142.9179.8-60.50000112.6F411 I442 N455F411-C447 HydrophobicContact CE1-CB 4Å; I442-C447 HydrophobicContact CG1-CB 4.41Å; I442-C447 HydrophobicContact CG2-CB 4.29Å; I442-C447 WeakPolarHBondContact O-CB 3.19Å; I442-C447 PolarHBondContact O-N 2.82Å; C447-N455 PolarHBondContact O-ND2 3.32Å
448N90.9Very high88.9Confident16 Ų1637.8 Ų37.89%0.08623%0.233CC..  trans-89.8118.1177.3-173.326.1000111.5K415 I450 N455K415-N448 PolarHBondContact O-ND2 3.49Å; N448-I450 PolarHBondContact OD1-O 3.21Å; N448-N455 HydrophobicContact CB-CB 4.26Å
449I91.5Very high88.2Confident0 Ų042.7 Ų42.70%026%0.262CS..  trans-109.9-49.3-178.3-58.1-174000112.2I410 G416 I417 L422 I439 I442 Q443I410-I449 HydrophobicContact CD1-CG2 4.08Å; I410-I449 HydrophobicContact CG2-CB 4.35Å; I410-I449 HydrophobicContact CG2-CG1 4.46Å; I410-I449 HydrophobicContact CG2-CG2 4.23Å; G416-I449 CarbonylContact C-O 3.39Å; G416-I449 WeakPolarHBondContact CA-O 3.39Å; I417-I449 PolarHBondContact N-O 3.42Å; L422-I449 HydrophobicContact CD2-CG2 4.01Å; I439-I449 HydrophobicContact CG2-CD1 4.48Å; I439-I449 WeakPolarHBondContact O-CD1 3.5Å; I442-I449 HydrophobicContact CB-CD1 4.45Å; I442-I449 HydrophobicContact CG2-CD1 3.23Å; I442-I449 HydrophobicContact CG2-CG1 3.8Å; Q443-I449 HydrophobicContact CG-CB 3.97Å; Q443-I449 HydrophobicContact CG-CD1 3.37Å; Q443-I449 HydrophobicContact CG-CG1 3.56Å
450I91.8Very high87.7Confident22 Ų2245.5 Ų45.511%0.11328%0.277CS..BIsolated β-bridgetrans-102.9126.8-175.7-58.8-59.7000109.1I417 Q419 L422 N448 G452 G453I417-I450 VanDerWaalsContact O-CA 3.31Å; I417-I450 WeakPolarHBondContact O-CA 3.38Å; Q419-I450 HydrophobicContact CB-CD1 4.46Å; L422-I450 HydrophobicContact CB-CD1 4.39Å; L422-I450 HydrophobicContact CD2-CD1 3.79Å; N448-I450 PolarHBondContact OD1-O 3.21Å; I450-G452 PolarHBondContact O-N 2.9Å; I450-G453 PolarHBondContact O-N 3.05Å
451T88.7Confident87.3Confident79 Ų7944.7 Ų44.749%0.48528%0.28SS..THydrogen-bonded Turntrans-61.2122.1175.8-530000110.3K415 G416 I417 G453K415-T451 VanDerWaalsContact O-CA 3.29Å; K415-T451 WeakPolarHBondContact O-CA 3.43Å; K415-T451 PolarHBondContact O-OG1 3.32Å; G416-T451 PolarHBondContact O-OG1 3.05Å; I417-T451 PolarHBondContact N-OG1 3.15Å; I417-T451 PolarHBondContact O-N 3.42Å; T451-G453 VanDerWaalsContact C-N 3.3Å
452G84.7Confident86.8Confident63 Ų6352.8 Ų52.865%0.64932%0.317SS*.THydrogen-bonded Turntrans79.78.2-17500000114.3I450 T456I450-G452 PolarHBondContact O-N 2.9Å; G452-T456 WeakPolarHBondContact CA-OG1 3.21Å; G452-T456 PolarHBondContact N-OG1 3.41Å
453G84.6Confident86.4Confident26 Ų2655.7 Ų55.727%0.26833%0.328SS..SBendtrans-82.8-165.9176.700000114.8I450 T451 N455 T456I450-G453 PolarHBondContact O-N 3.05Å; T451-G453 VanDerWaalsContact C-N 3.3Å; G453-N455 VanDerWaalsContact C-N 3.31Å; G453-N455 PolarHBondContact O-N 2.78Å; G453-T456 PolarHBondContact N-OG1 3.36Å; G453-T456 WeakPolarHBondContact O-CB 3.17Å; G453-T456 PolarHBondContact O-N 2.82Å; G453-T456 VanDerWaalsContact O-N 3.13Å; G453-T456 PolarHBondContact O-OG1 3.42Å
454R84.1Confident86.1Confident157 Ų15758.2 Ų58.259%0.59234%0.338SS*.THydrogen-bonded Turntrans-49.8-43-174.2-176.7-177.6177.7-179.71.9114.6N158 N444N158-R454 PolarHBondContact ND2-NH2 3.43Å; N444-R454 PolarHBondContact OD1-NH1 2.92Å
455N86.3Confident85.5Confident19 Ų1965 Ų6510%0.10237%0.369CS..THydrogen-bonded Turntrans-10326.2-173.8-62.4-26.2000112.5Q443 C447 N448 G453 G457 N458Q443-N455 PolarHBondContact O-ND2 2.87Å; C447-N455 PolarHBondContact O-ND2 3.32Å; N448-N455 HydrophobicContact CB-CB 4.26Å; G453-N455 VanDerWaalsContact C-N 3.31Å; G453-N455 PolarHBondContact O-N 2.78Å; N455-G457 PolarHBondContact O-N 3.44Å; N455-N458 HydrophobicContact CB-CB 4.4Å; N455-N458 WeakPolarHBondContact O-CB 3.38Å; N455-N458 PolarHBondContact O-N 2.86Å
456T80.8Confident85.2Confident82 Ų8268 Ų6850%0.50338%0.38SS..THydrogen-bonded Turntrans-60.3122.2177.5-59.50000110G452 G453G452-T456 WeakPolarHBondContact CA-OG1 3.21Å; G452-T456 PolarHBondContact N-OG1 3.41Å; G453-T456 PolarHBondContact N-OG1 3.36Å; G453-T456 WeakPolarHBondContact O-CB 3.17Å; G453-T456 PolarHBondContact O-N 2.82Å; G453-T456 VanDerWaalsContact O-N 3.13Å; G453-T456 PolarHBondContact O-OG1 3.42Å
457G75.5Confident84Confident60 Ų6076 Ų7662%0.61941%0.407SS*.THydrogen-bonded Turntrans105.2-17.5-177.400000113.7N455 T459N455-G457 PolarHBondContact O-N 3.44Å; G457-T459 PolarHBondContact O-N 2.95Å
458N81.4Confident82.6Confident86 Ų8684.8 Ų84.846%0.4645%0.448SS..  trans-75.2109.8169.2-68-1.9000108.9G446 N455G446-N458 PolarHBondContact O-ND2 2.83Å; N455-N458 HydrophobicContact CB-CB 4.4Å; N455-N458 WeakPolarHBondContact O-CB 3.38Å; N455-N458 PolarHBondContact O-N 2.86Å
459T80.9Confident81.5Confident102 Ų10286.7 Ų86.763%0.62646%0.462SS*.  trans-106.8144.6172.254.90000110G457G457-T459 PolarHBondContact O-N 2.95Å
460L85.4Confident81.1Confident60 Ų6092.5 Ų92.531%0.31450%0.498SS..PPolyproline II helixtrans-60.4147169.5-63.6179.4000110.1P238 I239 F411P238-L460 HydrophobicContact CG-CD1 4.35Å; P238-L460 HydrophobicContact CG-CD2 3.74Å; I239-L460 HydrophobicContact CD1-CD1 3.73Å; I239-L460 HydrophobicContact CG1-CD1 4.26Å; F411-L460 HydrophobicContact CB-CD1 4.04Å; F411-L460 HydrophobicContact CD1-CD1 4.26Å; F411-L460 HydrophobicContact CG-CD1 4.17Å
461P85.1Confident81Confident45 Ų4594.5 Ų94.529%0.29251%0.505SS..PPolyproline II helixtrans-59.1150.7179.626.5-37.1000111.9F236 T479F236-P461 HydrophobicContact CD2-CG 3.99Å; F236-P461 HydrophobicContact CE2-CB 3.86Å; F236-P461 HydrophobicContact CE2-CG 3.58Å; F236-P461 HydrophobicContact CZ-CB 4.35Å; F236-P461 HydrophobicContact CZ-CG 3.95Å; F236-P461 WeakPolarHBondContact O-CD 3.46Å; P461-T479 HydrophobicContact CB-CG2 4.39Å; P461-T479 HydrophobicContact CG-CG2 3.73Å
462E83.3Confident81.1Confident193 Ų19397 Ų9790%0.90251%0.511SS*.PPolyproline II helixtrans-71.6130.3172.1-68.5-169.5167.500110.4
463R86.4Confident81.5Confident60 Ų6095.8 Ų95.823%0.22649%0.489CS..PPolyproline II helixtrans-90.7145-179.5-174.6-174.559.4139.6-4.9111M372 Q465 D482M372-R463 VanDerWaalsContact SD-CZ 3.57Å; M372-R463 PolarHBondContact SD-NH1 2.94Å; M372-R463 PolarHBondContact SD-NH2 3.2Å; R463-Q465 PolarHBondContact O-N 3.44Å; R463-D482 WeakPolarHBondContact CG-OD2 3.4Å
464K85Confident81.9Confident88 Ų8896 Ų9638%0.38349%0.487SS..PPolyproline II helixtrans-65.3124.1169.6-169.9175176.6-179.80110.3R466 D482 E485K464-R466 PolarHBondContact O-N 2.87Å; K464-R466 PolarHBondContact O-NH1 3.23Å; K464-D482 VanDerWaalsContact CB-OD1 3.3Å; K464-D482 WeakPolarHBondContact CB-OD1 3.17Å; K464-D482 WeakPolarHBondContact CB-OD2 3.43Å; K464-D482 PolarHBondContact N-OD2 3.27Å; K464-E485 IonicContact NZ-OE2 3.41Å; K464-E485 PolarHBondContact NZ-OE2 3.06Å
465Q78.8Confident82.3Confident170 Ų17090 Ų9079%0.79446%0.464SS*.PPolyproline II helixtrans-66129.2175.6-70.2-173.5-0.600110.6R463R463-Q465 PolarHBondContact O-N 3.44Å
466R83Confident82.7Confident68 Ų6890 Ų9026%0.25746%0.462SS..  trans-123.1123.4178-67177171.985.8-4108.4K464 D482 E485K464-R466 PolarHBondContact O-N 2.87Å; K464-R466 PolarHBondContact O-NH1 3.23Å; R466-D482 IonicContact CZ-OD1 3.5Å; R466-D482 IonicContact NH1-OD1 3.21Å; R466-D482 PolarHBondContact NH1-OD1 2.78Å; R466-D482 IonicContact NH1-OD2 3.06Å; R466-D482 IonicContact NH2-OD1 3.69Å; R466-D482 PolarHBondContact NH2-OD1 2.81Å; R466-E485 IonicContact NH2-OE1 3.58Å; R466-E485 IonicContact NH2-OE2 3.89Å
467K64.9Low83.3Confident196 Ų19686.5 Ų86.585%0.85244%0.442SS*.  trans-98-4.6-177.7-64.5-173178.2-175.30113.7
468E60.8Low84.2Confident189 Ų18983.7 Ų83.788%0.88341%0.413SS*.  trans-107.556.8-169.2-61.6-18017700111.6
469S69.3Low84.9Confident55 Ų5580 Ų8039%0.38539%0.393SS..  trans-90115.7168.2-167.40000110.1Y471 S474S469-Y471 PolarHBondContact O-N 3.08Å; S469-Y471 PolarHBondContact OG-O 3.19Å; S469-S474 PolarHBondContact OG-O 2.88Å
470T82.1Confident85.5Confident123 Ų12375.1 Ų75.176%0.75536%0.364SS*.SBendtrans-66.8-28.1173.5-49.90000112
471Y90.8Very high86.1Confident64 Ų6474 Ų7425%0.25136%0.356SS..SBendtrans-121.6131.3-175.4-55.4-81.4000111.2H294 A296 D297 S469 L473 S474H294-Y471 HydrophobicContact CB-CD2 4.17Å; H294-Y471 HydrophobicContact CB-CE2 3.62Å; H294-Y471 AromaticContact CD2-CD2 3.66Å; H294-Y471 AromaticContact CD2-CG 3.98Å; H294-Y471 AromaticContact CE1-CD1 3.68Å; H294-Y471 AromaticContact CE1-CG 3.7Å; H294-Y471 AromaticContact CG-CD2 3.67Å; H294-Y471 AromaticContact CG-CE2 3.57Å; H294-Y471 AromaticContact CG-CZ 3.86Å; H294-Y471 AromaticContact ND1-CD1 3.76Å; H294-Y471 AromaticContact ND1-CD2 3.95Å; H294-Y471 AromaticContact ND1-CE1 3.67Å; H294-Y471 AromaticContact ND1-CE2 3.86Å; H294-Y471 AromaticContact ND1-CG 3.9Å; H294-Y471 AromaticContact ND1-CZ 3.72Å; H294-Y471 AromaticContact NE2-CD2 3.93Å; H294-Y471 AromaticContact NE2-CG 3.73Å; A296-Y471 HydrophobicContact CB-CE1 3.82Å; D297-Y471 PolarHBondContact OD1-OH 3.41Å; D297-Y471 PolarHBondContact OD2-OH 3.29Å; S469-Y471 PolarHBondContact O-N 3.08Å; S469-Y471 PolarHBondContact OG-O 3.19Å; Y471-L473 VanDerWaalsContact C-N 3.31Å; Y471-L473 PolarHBondContact O-N 3.42Å; Y471-S474 PolarHBondContact O-N 3.05Å
472Q89.9Confident86.6Confident132 Ų13272.2 Ų72.262%0.61734%0.344SS*.THydrogen-bonded Turntrans-64.7-33.6-177.5-67.9177.7-33.400113A376 S474 R475A376-Q472 HydrophobicContact CB-CB 4.21Å; A376-Q472 HydrophobicContact CB-CG 4.05Å; Q472-S474 VanDerWaalsContact C-N 3.33Å; Q472-R475 WeakPolarHBondContact O-CG 3.37Å; Q472-R475 PolarHBondContact O-NE 3.48Å
473L92.6Very high87.1Confident36 Ų3663.7 Ų63.719%0.18830%0.304CS..THydrogen-bonded Turntrans-87.43.3-179.8-58.8-177.9000114.1L246 F356 C364 E365 Q368 Y471L246-L473 HydrophobicContact CD1-CB 3.68Å; L246-L473 HydrophobicContact CD1-CD1 4.39Å; F356-L473 HydrophobicContact CE2-CD1 4.3Å; F356-L473 HydrophobicContact CZ-CD1 3.69Å; C364-L473 HydrophobicContact CB-CB 4.43Å; C364-L473 HydrophobicContact CB-CD1 4.37Å; C364-L473 HydrophobicContact CB-CD2 4.32Å; E365-L473 HydrophobicContact CB-CD2 3.93Å; Q368-L473 VanDerWaalsContact CG-O 3.27Å; Q368-L473 WeakPolarHBondContact CG-O 3.36Å; Q368-L473 PolarHBondContact NE2-O 3.05Å; Y471-L473 VanDerWaalsContact C-N 3.31Å; Y471-L473 PolarHBondContact O-N 3.42Å
474S93.9Very high87.6Confident31 Ų3160.8 Ų60.822%0.21729%0.294CS..  trans-135.147.6-176.2-55.30000111.1H294 S469 Y471 Q472H294-S474 PolarHBondContact CD2-OG 3.49Å; H294-S474 PolarHBondContact NE2-OG 3.02Å; S469-S474 PolarHBondContact OG-O 2.88Å; Y471-S474 PolarHBondContact O-N 3.05Å; Q472-S474 VanDerWaalsContact C-N 3.33Å
475R92.8Very high88.1Confident30 Ų3058.1 Ų58.111%0.11328%0.283CS..  trans-84.4-27.8-177-69.7178.6-74.3152.4-0.8113Q368 D369 M372 E374 N375 Q472Q368-R475 VanDerWaalsContact CB-NH2 3.33Å; D369-R475 IonicContact OD1-CZ 3.82Å; D369-R475 IonicContact OD1-NH1 3.59Å; D369-R475 IonicContact OD1-NH2 2.74Å; D369-R475 PolarHBondContact OD1-NH2 2.84Å; M372-R475 HydrophobicContact CE-CB 3.99Å; M372-R475 HydrophobicContact CG-CB 3.95Å; M372-R475 HydrophobicContact SD-CB 3.9Å; E374-R475 PolarHBondContact O-NH1 3.28Å; N375-R475 PolarHBondContact O-NH1 2.91Å; Q472-R475 WeakPolarHBondContact O-CG 3.37Å; Q472-R475 PolarHBondContact O-NE 3.48Å
476W93.3Very high88.9Confident19 Ų1952.2 Ų52.27%0.07226%0.256CS..  trans-63.9138.3177.5-178.3-104.4000111.4I239 S240 L243 V371I239-W476 HydrophobicContact CB-CH2 4.24Å; I239-W476 HydrophobicContact CB-CZ2 3.86Å; I239-W476 HydrophobicContact CD1-CH2 3.85Å; I239-W476 HydrophobicContact CD1-CZ2 4.35Å; I239-W476 HydrophobicContact CD1-CZ3 4.44Å; I239-W476 HydrophobicContact CG2-CD2 4.21Å; I239-W476 HydrophobicContact CG2-CH2 3.98Å; I239-W476 HydrophobicContact CG2-CZ2 3.63Å; I239-W476 HydrophobicContact CG2-CZ3 4.4Å; S240-W476 PolarHBondContact OG-NE1 2.85Å; L243-W476 HydrophobicContact CD1-CB 3.78Å; L243-W476 HydrophobicContact CD1-CD2 3.9Å; L243-W476 HydrophobicContact CD1-CG 3.34Å; V371-W476 HydrophobicContact CB-CD2 4.44Å; V371-W476 HydrophobicContact CB-CE3 3.79Å; V371-W476 HydrophobicContact CB-CZ3 4.11Å; V371-W476 HydrophobicContact CG2-CB 4.12Å; V371-W476 HydrophobicContact CG2-CD2 4.25Å; V371-W476 HydrophobicContact CG2-CE3 3.79Å; V371-W476 HydrophobicContact CG2-CG 4.42Å
477A93.8Very high89.5Confident10 Ų1049 Ų498%0.08324%0.244CC..  trans-124.9127.4169.900000107T479A477-T479 PolarHBondContact O-N 2.91Å
478P95.6Very high90.9Very high0 Ų040.7 Ų40.70%021%0.209CC..  trans-54.2138.9-179.3-29.936.7000112.5S240 I480 K481 E548S240-P478 WeakPolarHBondContact OG-CA 3.46Å; S240-P478 WeakPolarHBondContact OG-CB 3.34Å; P478-I480 HydrophobicContact CB-CG2 4.08Å; P478-I480 PolarHBondContact O-N 3.06Å; P478-K481 WeakPolarHBondContact O-CB 3.33Å; P478-K481 PolarHBondContact O-N 3.32Å; P478-E548 HydrophobicContact CB-CG 4.02Å
479T94.5Very high92.4Very high8 Ų836 Ų365%0.04919%0.187CC..Hα-helixtrans-62.7-29.8-176.7-450000111F236 D237 P461 A477 K481 D482 I483F236-T479 HydrophobicContact CE1-CG2 3.56Å; F236-T479 HydrophobicContact CE2-CG2 4.41Å; F236-T479 HydrophobicContact CZ-CG2 3.46Å; F236-T479 VanDerWaalsContact CZ-CG2 3.46Å; D237-T479 VanDerWaalsContact OD2-CB 3.29Å; D237-T479 WeakPolarHBondContact OD2-CB 3.36Å; D237-T479 PolarHBondContact OD2-N 3.4Å; D237-T479 PolarHBondContact OD2-OG1 3.28Å; P461-T479 HydrophobicContact CB-CG2 4.39Å; P461-T479 HydrophobicContact CG-CG2 3.73Å; A477-T479 PolarHBondContact O-N 2.91Å; T479-K481 PolarHBondContact O-N 2.95Å; T479-K481 VanDerWaalsContact O-N 3.17Å; T479-D482 WeakPolarHBondContact O-CB 3.2Å; T479-D482 PolarHBondContact O-N 2.87Å; T479-I483 PolarHBondContact O-N 2.76Å
480I95.4Very high93.5Very high1 Ų138.6 Ų38.61%0.00520%0.197CC..Hα-helixtrans-58.2-29.8176.2-157.268.6000112.5V232 P478 D482 I483 M484 V538 E548V232-I480 HydrophobicContact CB-CD1 4.47Å; V232-I480 HydrophobicContact CG1-CD1 4.26Å; V232-I480 HydrophobicContact CG2-CD1 3.9Å; P478-I480 HydrophobicContact CB-CG2 4.08Å; P478-I480 PolarHBondContact O-N 3.06Å; I480-D482 VanDerWaalsContact C-N 3.34Å; I480-D482 PolarHBondContact O-N 3.44Å; I480-I483 PolarHBondContact O-N 2.81Å; I480-M484 HydrophobicContact CB-CE 4.47Å; I480-M484 HydrophobicContact CG1-CE 3.72Å; I480-M484 HydrophobicContact CG2-CE 4.02Å; I480-M484 VanDerWaalsContact O-CG 3.3Å; I480-M484 WeakPolarHBondContact O-CG 3.47Å; I480-M484 PolarHBondContact O-N 2.74Å; I480-V538 HydrophobicContact CD1-CG1 3.88Å; I480-V538 HydrophobicContact CG1-CG1 4.13Å; I480-E548 HydrophobicContact CG2-CB 3.88Å; I480-E548 HydrophobicContact CG2-CG 3.74Å
481K96.4Very high94Very high37 Ų3739.5 Ų39.516%0.16119%0.19CC..Hα-helixtrans-62.7-41.2176.1-170.7175.3175.5174.40111.5P478 T479 I483 M484 E485 E554 V555P478-K481 WeakPolarHBondContact O-CB 3.33Å; P478-K481 PolarHBondContact O-N 3.32Å; T479-K481 PolarHBondContact O-N 2.95Å; T479-K481 VanDerWaalsContact O-N 3.17Å; K481-I483 VanDerWaalsContact C-N 3.28Å; K481-I483 PolarHBondContact O-N 2.88Å; K481-M484 PolarHBondContact O-N 2.87Å; K481-E485 WeakPolarHBondContact CE-OE1 3.27Å; K481-E485 WeakPolarHBondContact O-CG 3.48Å; K481-E485 PolarHBondContact O-N 2.72Å; K481-E554 WeakPolarHBondContact CE-OE2 3.35Å; K481-E554 IonicContact NZ-OE2 3.25Å; K481-E554 PolarHBondContact NZ-OE2 3.42Å; K481-V555 HydrophobicContact CG-CG2 3.87Å
482D95.3Very high94.1Very high6 Ų636.9 Ų36.93%0.03218%0.18CC..Hα-helixtrans-60.5-42.4175.4-66.9-16.8000110.9R463 K464 R466 T479 I480 N486R463-D482 WeakPolarHBondContact CG-OD2 3.4Å; K464-D482 VanDerWaalsContact CB-OD1 3.3Å; K464-D482 WeakPolarHBondContact CB-OD1 3.17Å; K464-D482 WeakPolarHBondContact CB-OD2 3.43Å; K464-D482 PolarHBondContact N-OD2 3.27Å; R466-D482 IonicContact CZ-OD1 3.5Å; R466-D482 IonicContact NH1-OD1 3.21Å; R466-D482 PolarHBondContact NH1-OD1 2.78Å; R466-D482 IonicContact NH1-OD2 3.06Å; R466-D482 IonicContact NH2-OD1 3.69Å; R466-D482 PolarHBondContact NH2-OD1 2.81Å; T479-D482 WeakPolarHBondContact O-CB 3.2Å; T479-D482 PolarHBondContact O-N 2.87Å; I480-D482 VanDerWaalsContact C-N 3.34Å; I480-D482 PolarHBondContact O-N 3.44Å; D482-N486 VanDerWaalsContact O-CB 3.26Å; D482-N486 WeakPolarHBondContact O-CB 3.45Å; D482-N486 PolarHBondContact O-N 2.87Å; D482-N486 PolarHBondContact O-ND2 2.95Å
483I95.3Very high94.3Very high14 Ų1434.1 Ų34.17%0.07217%0.17CC..Hα-helixtrans-66.7-42.7-180-58.9-54.3000111.1L230 F236 T479 I480 K481 N486 A487 L492 W497L230-I483 HydrophobicContact CD1-CG2 3.73Å; F236-I483 HydrophobicContact CE1-CD1 4.45Å; F236-I483 HydrophobicContact CE1-CG1 3.66Å; F236-I483 HydrophobicContact CE2-CD1 4.34Å; F236-I483 HydrophobicContact CE2-CG1 4.37Å; F236-I483 HydrophobicContact CZ-CD1 3.66Å; F236-I483 HydrophobicContact CZ-CG1 3.36Å; T479-I483 PolarHBondContact O-N 2.76Å; I480-I483 PolarHBondContact O-N 2.81Å; K481-I483 VanDerWaalsContact C-N 3.28Å; K481-I483 PolarHBondContact O-N 2.88Å; I483-N486 PolarHBondContact O-N 3.11Å; I483-A487 WeakPolarHBondContact O-CB 3.39Å; I483-A487 PolarHBondContact O-N 2.82Å; I483-L492 HydrophobicContact CD1-CD1 3.79Å; I483-L492 HydrophobicContact CG2-CD1 3.99Å; I483-L492 HydrophobicContact CG2-CD2 4.17Å; I483-W497 HydrophobicContact CD1-CZ2 3.76Å; I483-W497 HydrophobicContact CG1-CZ2 3.92Å; I483-W497 HydrophobicContact CG2-CH2 4.06Å; I483-W497 HydrophobicContact CG2-CZ2 3.95Å
484M96.6Very high94.3Very high0 Ų039 Ų390%019%0.19CC..Hα-helixtrans-61.8-48.6176.5-67.9165.4-178.900112I480 K481 A487 I488 L536 V538 A552 V555 V565 I567I480-M484 HydrophobicContact CB-CE 4.47Å; I480-M484 HydrophobicContact CG1-CE 3.72Å; I480-M484 HydrophobicContact CG2-CE 4.02Å; I480-M484 VanDerWaalsContact O-CG 3.3Å; I480-M484 WeakPolarHBondContact O-CG 3.47Å; I480-M484 PolarHBondContact O-N 2.74Å; K481-M484 PolarHBondContact O-N 2.87Å; M484-A487 PolarHBondContact O-N 3.5Å; M484-I488 WeakPolarHBondContact O-CG1 3.43Å; M484-I488 PolarHBondContact O-N 3.24Å; M484-I488 VanDerWaalsContact O-N 3.1Å; M484-L536 HydrophobicContact CB-CD2 3.98Å; M484-L536 HydrophobicContact CG-CD2 4.09Å; M484-V538 HydrophobicContact CE-CB 4.42Å; M484-V538 HydrophobicContact CE-CG1 4.49Å; M484-V538 HydrophobicContact CE-CG2 4.14Å; M484-V538 HydrophobicContact CG-CG2 4.19Å; M484-A552 HydrophobicContact CE-CB 4.2Å; M484-A552 HydrophobicContact SD-CB 4.47Å; M484-V555 HydrophobicContact CB-CB 4.44Å; M484-V555 HydrophobicContact CB-CG1 4.13Å; M484-V555 HydrophobicContact CB-CG2 4.08Å; M484-V555 HydrophobicContact SD-CG2 4.4Å; M484-V565 HydrophobicContact CE-CG1 4.09Å; M484-V565 HydrophobicContact CG-CG1 4.1Å; M484-V565 HydrophobicContact SD-CG1 3.91Å; M484-I567 HydrophobicContact CE-CB 4.33Å; M484-I567 HydrophobicContact CE-CD1 3.69Å; M484-I567 HydrophobicContact CE-CG1 4.3Å
485E95.8Very high94.2Very high32 Ų3245.7 Ų45.715%0.1522%0.215CC..Hα-helixtrans-58.5-49.9176.5-71.7173.5-169.400110.9K464 R466 K481 A487 I488 E489 V555K464-E485 IonicContact NZ-OE2 3.41Å; K464-E485 PolarHBondContact NZ-OE2 3.06Å; R466-E485 IonicContact NH2-OE1 3.58Å; R466-E485 IonicContact NH2-OE2 3.89Å; K481-E485 WeakPolarHBondContact CE-OE1 3.27Å; K481-E485 WeakPolarHBondContact O-CG 3.48Å; K481-E485 PolarHBondContact O-N 2.72Å; E485-A487 VanDerWaalsContact C-N 3.34Å; E485-A487 PolarHBondContact O-N 3.16Å; E485-I488 PolarHBondContact O-N 3.06Å; E485-E489 WeakPolarHBondContact O-CB 3.43Å; E485-E489 WeakPolarHBondContact O-CG 3.47Å; E485-E489 PolarHBondContact O-N 2.98Å; E485-V555 HydrophobicContact CG-CG2 4.05Å
486N95.3Very high94.2Very high45 Ų4549.8 Ų49.824%0.24124%0.235CC..Hα-helixtrans-66.2-33.1-179.2-71.8-31.3000112.9D482 I483 D490 K491 L492D482-N486 VanDerWaalsContact O-CB 3.26Å; D482-N486 WeakPolarHBondContact O-CB 3.45Å; D482-N486 PolarHBondContact O-N 2.87Å; D482-N486 PolarHBondContact O-ND2 2.95Å; I483-N486 PolarHBondContact O-N 3.11Å; N486-D490 PolarHBondContact O-N 3.11Å; N486-K491 PolarHBondContact O-N 3.1Å; N486-L492 HydrophobicContact CB-CB 4.29Å; N486-L492 HydrophobicContact CB-CD1 4.13Å; N486-L492 PolarHBondContact O-N 2.66Å; N486-L492 VanDerWaalsContact O-N 3.14Å
487A94.7Very high94.3Very high1 Ų149 Ų491%0.00823%0.232CC..Hα-helixtrans-68.9-42177.200000112Q228 L230 I483 M484 E485 E489 D490 L492 L536Q228-A487 PolarHBondContact NE2-O 2.82Å; L230-A487 HydrophobicContact CD1-CB 3.99Å; I483-A487 WeakPolarHBondContact O-CB 3.39Å; I483-A487 PolarHBondContact O-N 2.82Å; M484-A487 PolarHBondContact O-N 3.5Å; E485-A487 VanDerWaalsContact C-N 3.34Å; E485-A487 PolarHBondContact O-N 3.16Å; A487-E489 VanDerWaalsContact C-N 3.35Å; A487-D490 PolarHBondContact O-N 3.45Å; A487-L492 HydrophobicContact CB-CD2 4.16Å; A487-L536 HydrophobicContact CB-CD1 3.94Å; A487-L536 HydrophobicContact CB-CD2 3.96Å
488I94.1Very high94.4Very high22 Ų2249.9 Ų49.911%0.11324%0.237CC..Hα-helixtrans-66.3-38.1176.7-76164.1000111.5M484 E485 D490 L536 V555 T559 W563 V565M484-I488 WeakPolarHBondContact O-CG1 3.43Å; M484-I488 PolarHBondContact O-N 3.24Å; M484-I488 VanDerWaalsContact O-N 3.1Å; E485-I488 PolarHBondContact O-N 3.06Å; I488-D490 PolarHBondContact O-N 3.23Å; I488-L536 HydrophobicContact CD1-CD2 4.3Å; I488-L536 HydrophobicContact CG1-CD2 4.18Å; I488-V555 HydrophobicContact CD1-CG1 3.39Å; I488-T559 HydrophobicContact CD1-CG2 4.31Å; I488-T559 HydrophobicContact CG2-CG2 4.01Å; I488-W563 HydrophobicContact CB-CD2 4.4Å; I488-W563 HydrophobicContact CB-CG 4.46Å; I488-W563 HydrophobicContact CD1-CB 3.99Å; I488-W563 HydrophobicContact CD1-CG 4.3Å; I488-W563 HydrophobicContact CG1-CB 4.14Å; I488-W563 HydrophobicContact CG1-CD2 3.78Å; I488-W563 HydrophobicContact CG1-CE3 3.93Å; I488-W563 HydrophobicContact CG1-CG 3.91Å; I488-W563 HydrophobicContact CG2-CB 4.47Å; I488-W563 HydrophobicContact CG2-CD2 4.17Å; I488-W563 HydrophobicContact CG2-CG 3.86Å; I488-V565 HydrophobicContact CD1-CG2 3.81Å
489E93.3Very high94.4Very high91 Ų9151.6 Ų51.643%0.42524%0.244SC..THydrogen-bonded Turntrans-79.8-0.8177.2-68.1-178.9-165.500113.8E485 A487 K491E485-E489 WeakPolarHBondContact O-CB 3.43Å; E485-E489 WeakPolarHBondContact O-CG 3.47Å; E485-E489 PolarHBondContact O-N 2.98Å; A487-E489 VanDerWaalsContact C-N 3.35Å; E489-K491 HydrophobicContact CB-CD 4.1Å; E489-K491 HydrophobicContact CB-CG 4.12Å; E489-K491 PolarHBondContact O-N 3.08Å; E489-K491 WeakPolarHBondContact OE2-CD 3.4Å; E489-K491 WeakPolarHBondContact OE2-CE 3.3Å; E489-K491 IonicContact OE2-NZ 2.8Å; E489-K491 PolarHBondContact OE2-NZ 3.32Å
490D91.3Very high94.3Very high108 Ų10853.3 Ų53.358%0.57825%0.253SS*.THydrogen-bonded Turntrans55.231.8-174.3-157.121.8000113.9N486 A487 I488N486-D490 PolarHBondContact O-N 3.11Å; A487-D490 PolarHBondContact O-N 3.45Å; I488-D490 PolarHBondContact O-N 3.23Å
491K94Very high94Very high143 Ų14355.8 Ų55.862%0.62227%0.27SS*.  trans-103.2-1.1177.4-67.8178.6-171.81620113.4N486 E489 D493N486-K491 PolarHBondContact O-N 3.1Å; E489-K491 HydrophobicContact CB-CD 4.1Å; E489-K491 HydrophobicContact CB-CG 4.12Å; E489-K491 PolarHBondContact O-N 3.08Å; E489-K491 WeakPolarHBondContact OE2-CD 3.4Å; E489-K491 WeakPolarHBondContact OE2-CE 3.3Å; E489-K491 IonicContact OE2-NZ 2.8Å; E489-K491 PolarHBondContact OE2-NZ 3.32Å; K491-D493 PolarHBondContact O-N 3.14Å
492L93.2Very high93Very high8 Ų860.5 Ų60.54%0.04230%0.297CS..SBendtrans-68.4121.7-178.4-169.968.2000110.9R189 L230 I483 N486 A487 K494 W497R189-L492 PolarHBondContact NH2-O 2.99Å; L230-L492 HydrophobicContact CD1-CD2 4.28Å; L230-L492 HydrophobicContact CD2-CD2 4.22Å; I483-L492 HydrophobicContact CD1-CD1 3.79Å; I483-L492 HydrophobicContact CG2-CD1 3.99Å; I483-L492 HydrophobicContact CG2-CD2 4.17Å; N486-L492 HydrophobicContact CB-CB 4.29Å; N486-L492 HydrophobicContact CB-CD1 4.13Å; N486-L492 PolarHBondContact O-N 2.66Å; N486-L492 VanDerWaalsContact O-N 3.14Å; A487-L492 HydrophobicContact CB-CD2 4.16Å; L492-K494 PolarHBondContact O-N 3.24Å; L492-W497 HydrophobicContact CD1-CD2 4.38Å; L492-W497 HydrophobicContact CD1-CG 4Å; L492-W497 HydrophobicContact CD2-CB 3.74Å; L492-W497 HydrophobicContact CD2-CD2 3.92Å; L492-W497 HydrophobicContact CD2-CE3 4.38Å; L492-W497 HydrophobicContact CD2-CG 3.62Å; L492-W497 HydrophobicContact CG-CB 3.88Å; L492-W497 HydrophobicContact CG-CD2 4.34Å; L492-W497 HydrophobicContact CG-CG 3.67Å
493D93.3Very high92Very high75 Ų7563 Ų6340%0.40131%0.314SS..  trans-54.5119.2-174.7-175.7-19.8000112.1K491 K495 Q496 W497K491-D493 PolarHBondContact O-N 3.14Å; D493-K495 VanDerWaalsContact C-N 3.28Å; D493-K495 PolarHBondContact O-N 3.21Å; D493-K495 WeakPolarHBondContact OD1-CA 3.36Å; D493-K495 VanDerWaalsContact OD1-CB 3.31Å; D493-K495 WeakPolarHBondContact OD1-CB 2.97Å; D493-K495 PolarHBondContact OD1-N 3.4Å; D493-Q496 HydrophobicContact CB-CB 4.28Å; D493-Q496 HydrophobicContact CB-CG 4.46Å; D493-Q496 PolarHBondContact O-N 2.8Å; D493-W497 WeakPolarHBondContact O-CA 3.33Å; D493-W497 WeakPolarHBondContact O-CB 3.45Å; D493-W497 PolarHBondContact O-N 2.88Å
494K92.9Very high90.6Very high139 Ų13966.3 Ų66.360%0.60434%0.343SS*.THydrogen-bonded Turntrans-69.1-20.3-178.8-61.7-176.1-179.7-176.40113.8L492 P498L492-K494 PolarHBondContact O-N 3.24Å; K494-P498 VanDerWaalsContact O-CA 3.3Å; K494-P498 WeakPolarHBondContact O-CA 3.3Å
495K92.4Very high88.8Confident170 Ų17071.9 Ų71.974%0.73938%0.38SS*.THydrogen-bonded Turntrans-78.9-38.8175.1-65.7-178.4178.3177.70111.8K192 D493K192-K495 WeakPolarHBondContact CD-O 3.14Å; D493-K495 VanDerWaalsContact C-N 3.28Å; D493-K495 PolarHBondContact O-N 3.21Å; D493-K495 WeakPolarHBondContact OD1-CA 3.36Å; D493-K495 VanDerWaalsContact OD1-CB 3.31Å; D493-K495 WeakPolarHBondContact OD1-CB 2.97Å; D493-K495 PolarHBondContact OD1-N 3.4Å
496Q92.7Very high87Confident116 Ų11675 Ų7554%0.54240%0.396SS..THydrogen-bonded Turntrans-83.4-28.5177.3-66.2-170.1-12.300112.2K192 D493 P498K192-Q496 WeakPolarHBondContact CB-O 3.33Å; K192-Q496 PolarHBondContact N-O 3.44Å; D493-Q496 HydrophobicContact CB-CB 4.28Å; D493-Q496 HydrophobicContact CB-CG 4.46Å; D493-Q496 PolarHBondContact O-N 2.8Å; Q496-P498 VanDerWaalsContact C-CD 3.45Å; Q496-P498 WeakPolarHBondContact O-CD 3.4Å
497W95.1Very high84.5Confident4 Ų479.9 Ų79.92%0.01542%0.422CS..SBendtrans-128.166.3-178.8-6089.3000110.9R189 Y190 R191 V232 F236 I483 L492 D493R189-W497 PolarHBondContact NE-O 2.83Å; R189-W497 PolarHBondContact NH2-O 3.08Å; Y190-W497 WeakPolarHBondContact O-CA 3.4Å; R191-W497 HydrophobicContact CB-CE3 4.13Å; R191-W497 HydrophobicContact CB-CH2 3.77Å; R191-W497 HydrophobicContact CB-CZ2 4.27Å; R191-W497 HydrophobicContact CB-CZ3 3.68Å; R191-W497 HydrophobicContact CG-CH2 4.36Å; R191-W497 HydrophobicContact CG-CZ2 4.43Å; V232-W497 HydrophobicContact CB-CH2 4.44Å; V232-W497 HydrophobicContact CG1-CH2 4.14Å; V232-W497 HydrophobicContact CG2-CH2 3.73Å; V232-W497 HydrophobicContact CG2-CZ3 3.84Å; F236-W497 HydrophobicContact CD2-CZ2 4.35Å; F236-W497 AromaticContact CE2-CZ2 3.91Å; F236-W497 HydrophobicContact CE2-CZ2 3.91Å; F236-W497 HydrophobicContact CZ-CZ2 4.15Å; I483-W497 HydrophobicContact CD1-CZ2 3.76Å; I483-W497 HydrophobicContact CG1-CZ2 3.92Å; I483-W497 HydrophobicContact CG2-CH2 4.06Å; I483-W497 HydrophobicContact CG2-CZ2 3.95Å; L492-W497 HydrophobicContact CD1-CD2 4.38Å; L492-W497 HydrophobicContact CD1-CG 4Å; L492-W497 HydrophobicContact CD2-CB 3.74Å; L492-W497 HydrophobicContact CD2-CD2 3.92Å; L492-W497 HydrophobicContact CD2-CE3 4.38Å; L492-W497 HydrophobicContact CD2-CG 3.62Å; L492-W497 HydrophobicContact CG-CB 3.88Å; L492-W497 HydrophobicContact CG-CD2 4.34Å; L492-W497 HydrophobicContact CG-CG 3.67Å; D493-W497 WeakPolarHBondContact O-CA 3.33Å; D493-W497 WeakPolarHBondContact O-CB 3.45Å; D493-W497 PolarHBondContact O-N 2.88Å
498P96Very high81.9Confident28 Ų2885.4 Ų85.418%0.18246%0.456CS..  trans-64155.5178.328.9-37.2000111.9R189 Y190 K494 Q496R189-P498 VanDerWaalsContact CA-O 3.26Å; R189-P498 WeakPolarHBondContact CA-O 3.39Å; R189-P498 WeakPolarHBondContact CB-O 3.42Å; Y190-P498 HydrophobicContact CD1-CG 4.36Å; Y190-P498 HydrophobicContact CD2-CG 4.48Å; Y190-P498 HydrophobicContact CE1-CB 4.42Å; Y190-P498 HydrophobicContact CE1-CG 3.74Å; Y190-P498 HydrophobicContact CE2-CG 3.88Å; Y190-P498 VanDerWaalsContact CZ-CG 3.48Å; Y190-P498 PolarHBondContact N-O 2.9Å; Y190-P498 WeakPolarHBondContact O-CD 3.44Å; K494-P498 VanDerWaalsContact O-CA 3.3Å; K494-P498 WeakPolarHBondContact O-CA 3.3Å; Q496-P498 VanDerWaalsContact C-CD 3.45Å; Q496-P498 WeakPolarHBondContact O-CD 3.4Å
499F95.1Very high79.2Confident35 Ų3590.3 Ų90.315%0.15449%0.487CS..BIsolated β-bridgetrans-85.9145.1167.8-69.2-90.1000109.8A187 I188 R189 P503A187-F499 HydrophobicContact CB-CD1 4Å; A187-F499 HydrophobicContact CB-CE1 3.77Å; I188-F499 WeakPolarHBondContact O-CA 2.99Å; R189-F499 VanDerWaalsContact CD-CE1 3.45Å; R189-F499 VanDerWaalsContact CD-CZ 3.48Å; R189-F499 HydrophobicContact CG-CD1 3.39Å; R189-F499 HydrophobicContact CG-CD2 4.34Å; R189-F499 HydrophobicContact CG-CE1 3.38Å; R189-F499 HydrophobicContact CG-CE2 4.33Å; R189-F499 HydrophobicContact CG-CG 3.9Å; R189-F499 HydrophobicContact CG-CZ 3.89Å; F499-P503 HydrophobicContact CD1-CG 4.41Å; F499-P503 HydrophobicContact CE1-CG 4.12Å; F499-P503 HydrophobicContact CZ-CG 4.29Å
500I93.1Very high76.5Confident44 Ų4494.3 Ų94.323%0.22651%0.506CS..SBendtrans-67.8-48.9168.5-70-69.4000110.1I188 Y190 A201 E202 Y205I188-I500 HydrophobicContact CB-CG1 4.49Å; I188-I500 HydrophobicContact CG2-CG1 4.24Å; I188-I500 PolarHBondContact O-N 3.16Å; I188-I500 VanDerWaalsContact O-N 3.07Å; Y190-I500 HydrophobicContact CD1-CD1 3.78Å; Y190-I500 HydrophobicContact CD1-CG1 3.98Å; Y190-I500 HydrophobicContact CE1-CD1 3.5Å; Y190-I500 HydrophobicContact CE1-CG1 4.07Å; A201-I500 HydrophobicContact CB-CD1 3.68Å; A201-I500 HydrophobicContact CB-CG1 3.65Å; E202-I500 WeakPolarHBondContact OE2-CG2 3.21Å; Y205-I500 HydrophobicContact CD1-CG2 4.02Å; Y205-I500 HydrophobicContact CD2-CG2 4.5Å; Y205-I500 HydrophobicContact CG-CG2 3.94Å
501S87.4Confident73.8Confident53 Ų5395.8 Ų95.837%0.37152%0.519SS..SBendtrans-127.1131.1172.9-174.60000108.7
502N76.9Confident70.6Confident136 Ų13693 Ų9373%0.72752%0.522SS*.PPolyproline II helixtrans-61.6129.5179.8-75.5-52.5000109.1
503P73.7Confident67.8Low60 Ų6099.4 Ų99.439%0.3956%0.562SS.*PPolyproline II helixtrans-60.1144.7176.324.5-31.9000109.5A187 F499A187-P503 HydrophobicContact CB-CB 4.13Å; F499-P503 HydrophobicContact CD1-CG 4.41Å; F499-P503 HydrophobicContact CE1-CG 4.12Å; F499-P503 HydrophobicContact CZ-CG 4.29Å
504A65.8Low64.8Low82 Ų82101.2 Ų101.268%0.67858%0.58SS**PPolyproline II helixtrans-53.8138.7172.800000109I506A504-I506 PolarHBondContact O-N 3.48Å
505P60Low61.9Low118 Ų11898.9 Ų98.977%0.76658%0.582SS**  trans-56.3115.117921.4-30.9000108.6N507P505-N507 PolarHBondContact O-N 2.85Å
506I58Low59.2Low98 Ų9896 Ų9650%0.50359%0.59SS.*  trans-65.6108.4173.7-58.8158.9000104.7R226 A504 T508R226-I506 HydrophobicContact CG-CD1 3.79Å; A504-I506 PolarHBondContact O-N 3.48Å; I506-T508 HydrophobicContact CG2-CG2 4.08Å; I506-T508 PolarHBondContact O-N 3.34Å
507N42.8Very low56.5Low147 Ų147100.7 Ų100.779%0.78660%0.602SS**  trans-64.184.5165.3-79.4-21.4000106.6P505 T509P505-N507 PolarHBondContact O-N 2.85Å; N507-T509 PolarHBondContact O-N 3.24Å
508T39.8Very low53.4Low116 Ų116110.5 Ų110.571%0.71265%0.645SS**  trans-6681.1162.238.40000105.9I506 Q510I506-T508 HydrophobicContact CG2-CG2 4.08Å; I506-T508 PolarHBondContact O-N 3.34Å; T508-Q510 PolarHBondContact O-N 3.42Å
509T36.4Very low50.7Low125 Ų125112.6 Ų112.677%0.76767%0.672SS**  trans-53.9107.1146.646.70000103.9N507 T511N507-T509 PolarHBondContact O-N 3.24Å; T509-T511 PolarHBondContact O-N 3.22Å; T509-T511 VanDerWaalsContact O-N 3.09Å
510Q36.3Very low47.5Very low175 Ų175118.8 Ų118.882%0.81871%0.707SS**  trans-34.4124.3166-72.7172.8-16.900106.4T508 A512T508-Q510 PolarHBondContact O-N 3.42Å; Q510-A512 PolarHBondContact O-N 3.41Å
511T34.8Very low44.8Very low139 Ų139127.7 Ų127.785%0.85374%0.738SS**  trans-50.194.915925.80000105.6T509 V513T509-T511 PolarHBondContact O-N 3.22Å; T509-T511 VanDerWaalsContact O-N 3.09Å; T511-V513 PolarHBondContact O-N 2.82Å
512A28Very low42.4Very low84 Ų84132.7 Ų132.769%0.69476%0.755SS**  trans-52.3119.8167.800000103.8Q510 S514Q510-A512 PolarHBondContact O-N 3.41Å; A512-S514 PolarHBondContact O-N 2.82Å
513V32.7Very low40.3Very low143 Ų143135.6 Ų135.687%0.86776%0.761SS**  trans-53.397.6169.1-138.20000104.4T511 S515T511-V513 PolarHBondContact O-N 2.82Å; V513-S515 PolarHBondContact O-N 2.9Å
514S31.4Very low38.3Very low113 Ų113140.8 Ų140.879%0.7979%0.786SS**  trans-68.494.9172.827.40000104.5A512 A516A512-S514 PolarHBondContact O-N 2.82Å; S514-A516 PolarHBondContact O-N 3.33Å
515S31.6Very low36.7Very low91 Ų91145.5 Ų145.564%0.63679%0.791SS**  trans-43.3128175.155.80000109V513 R517V513-S515 PolarHBondContact O-N 2.9Å; S515-R517 PolarHBondContact O-N 3.37Å
516A36.2Very low35.2Very low110 Ų110144.1 Ų144.191%0.90978%0.784SS**SBendtrans-66.856.617600000112.3S514S514-A516 PolarHBondContact O-N 3.33Å
517R36.4Very low34.1Very low213 Ų213145.2 Ų145.280%0.80480%0.798SS**  trans-148.279.5177-69.5-171.5-175.3-166.41.5107.5S515S515-R517 PolarHBondContact O-N 3.37Å
518F29.8Very low33.7Very low210 Ų210143.5 Ų143.592%0.92179%0.793SS**  trans171.8109.8141.7-96.4-71.8000107.3
519G37.9Very low33.7Very low73 Ų73146 Ų14675%0.75380%0.796SS**  trans-68.5131.5-17800000111.9
520N27.7Very low34.3Very low164 Ų164148 Ų14888%0.87779%0.791SS**  trans-124.585.6163-90.5-12.4000107.7H522N520-H522 VanDerWaalsContact C-N 3.3Å; N520-H522 PolarHBondContact O-N 2.96Å
521W37.4Very low35Very low232 Ų232149.2 Ų149.288%0.87979%0.788SS**  trans-77.1-3.9-175.5-169.8-77.2000114
522H36Very low36.2Very low157 Ų157144 Ų14473%0.72776%0.757SS**  trans-138.891.4-179.8-72.5-70.7000113N520N520-H522 VanDerWaalsContact C-N 3.3Å; N520-H522 PolarHBondContact O-N 2.96Å
523K32.9Very low38.4Very low197 Ų197140.4 Ų140.486%0.85773%0.729SS**  trans-140.2104.7143.5-79.4-167.4177.6179.30108.1K525K523-K525 PolarHBondContact O-N 2.73Å
524N31.7Very low41.1Very low169 Ų169133.7 Ų133.790%0.90469%0.688SS**  trans-54.4111.8163.7-77.4-16.6000107.5S526N524-S526 PolarHBondContact O-N 3.35Å
525K32Very low44.1Very low181 Ų181129 Ų12979%0.78765%0.653SS**  trans-69123.8171.9-76.5179.6176.31760108K523K523-K525 PolarHBondContact O-N 2.73Å
526S29.2Very low47.2Very low90 Ų90124.7 Ų124.763%0.62962%0.623SS**  trans-60.8141.816542.30000109.9N524 T528N524-S526 PolarHBondContact O-N 3.35Å; S526-T528 PolarHBondContact O-N 3.29Å; S526-T528 VanDerWaalsContact O-N 3.15Å
527P35.3Very low50.2Low121 Ų121119.5 Ų119.579%0.78658%0.579SS**THydrogen-bonded Turntrans-75.25.9-175.1-13.729.6000115.8
528T34.1Very low53.1Low110 Ų110109.3 Ų109.368%0.67554%0.541SS*.THydrogen-bonded Turntrans-104.86.1-156.417.40000117.4S526S526-T528 PolarHBondContact O-N 3.29Å; S526-T528 VanDerWaalsContact O-N 3.15Å
529E41Very low56.4Low170 Ų17099.4 Ų99.479%0.79450%0.498SS*.  trans-110.788.3167.9-79.1179.4172.800109.6R531E529-R531 PolarHBondContact O-N 3.25Å
530Y47Very low59.2Low166 Ų16696 Ų9665%0.65146%0.462SS*.  trans-59.9102.3170.7-70.8-90.5000109.1C532Y530-C532 VanDerWaalsContact C-N 3.28Å; Y530-C532 PolarHBondContact O-N 3.32Å
531R52.8Low62.4Low200 Ų20088.4 Ų88.476%0.75542%0.422SS*.  trans-75.881173.6-66.9-175.2-175.9-171-4.9109.3E529 G533E529-R531 PolarHBondContact O-N 3.25Å; R531-G533 PolarHBondContact O-N 3.41Å
532C59.4Low64.9Low29 Ų2977.4 Ų77.420%0.19638%0.38CS..  trans-73.2116.8154.2-56.60000105.2P3 Y530P3-C532 HydrophobicContact CB-CB 4.5Å; P3-C532 WeakPolarHBondContact CB-SG 3.34Å; Y530-C532 VanDerWaalsContact C-N 3.28Å; Y530-C532 PolarHBondContact O-N 3.32Å
533G74.3Confident67.7Low10 Ų1069.9 Ų69.910%0.10335%0.345CS..  trans-63.9-170171.700000111.5R531 K562R531-G533 PolarHBondContact O-N 3.41Å; G533-K562 WeakPolarHBondContact CA-O 3.12Å
534P89.4Confident70.8Confident2 Ų260.5 Ų60.51%0.01330%0.304CS..  trans-54145.7175.823.2-36.1000112.6D223 R226 K562 W563 E564D223-P534 WeakPolarHBondContact O-CB 2.94Å; R226-P534 HydrophobicContact CB-CB 3.78Å; R226-P534 HydrophobicContact CB-CG 4.4Å; P534-K562 WeakPolarHBondContact CD-O 2.81Å; P534-W563 HydrophobicContact CB-CD2 3.97Å; P534-W563 HydrophobicContact CB-CE3 3.75Å; P534-W563 HydrophobicContact CB-CH2 3.75Å; P534-W563 HydrophobicContact CB-CZ2 3.97Å; P534-W563 HydrophobicContact CB-CZ3 3.64Å; P534-W563 HydrophobicContact CG-CD2 3.49Å; P534-W563 VanDerWaalsContact CG-CD2 3.49Å; P534-W563 HydrophobicContact CG-CE3 3.83Å; P534-W563 HydrophobicContact CG-CG 4.01Å; P534-W563 HydrophobicContact CG-CH2 4Å; P534-W563 HydrophobicContact CG-CZ2 3.68Å; P534-W563 HydrophobicContact CG-CZ3 4.08Å; P534-W563 WeakPolarHBondContact O-CA 3.26Å; P534-W563 VanDerWaalsContact O-CE3 3.31Å; P534-E564 PolarHBondContact O-N 2.99Å; P534-E564 VanDerWaalsContact O-N 3.16Å
535R93.8Very high74Confident15 Ų1552.8 Ų52.86%0.05726%0.263CS..EExtended strand (participates in β ladder)trans-103.1135.5-179.9-72.1-178.1171.9149.4-11.4111.8L182 E184 S227 Q228 I537 E564L182-R535 PolarHBondContact O-NH1 2.9Å; E184-R535 WeakPolarHBondContact OE1-CD 3.48Å; E184-R535 IonicContact OE1-CZ 3.68Å; E184-R535 IonicContact OE1-NE 3.21Å; E184-R535 IonicContact OE1-NH1 2.85Å; E184-R535 PolarHBondContact OE1-NH1 3.32Å; S227-R535 CarbonylContact C-O 3.58Å; S227-R535 WeakPolarHBondContact CA-O 3.19Å; S227-R535 WeakPolarHBondContact CB-O 3.47Å; S227-R535 PolarHBondContact OG-N 2.98Å; S227-R535 VanDerWaalsContact OG-N 3.15Å; Q228-R535 PolarHBondContact N-O 3.21Å; R535-I537 HydrophobicContact CB-CG1 4.5Å; R535-E564 CarbonylContact C-O 3.54Å; R535-E564 VanDerWaalsContact CA-O 3.3Å; R535-E564 WeakPolarHBondContact CA-O 3.23Å; R535-E564 HydrophobicContact CG-CB 4.2Å; R535-E564 IonicContact CZ-OE2 3.62Å; R535-E564 IonicContact NE-OE2 2.76Å; R535-E564 PolarHBondContact NE-OE2 3.23Å; R535-E564 IonicContact NH2-OE2 2.92Å; R535-E564 PolarHBondContact NH2-OE2 2.73Å
536L97Very high77.1Confident0 Ų044.6 Ų44.60%023%0.228CC..EExtended strand (participates in β ladder)trans-104.8107165.2-179.867000108.1Q228 L230 M484 A487 I488 V538 W563 E564 V565 L566Q228-L536 HydrophobicContact CB-CD1 3.83Å; L230-L536 HydrophobicContact CD1-CD1 3.88Å; L230-L536 HydrophobicContact CG-CD1 3.83Å; M484-L536 HydrophobicContact CB-CD2 3.98Å; M484-L536 HydrophobicContact CG-CD2 4.09Å; A487-L536 HydrophobicContact CB-CD1 3.94Å; A487-L536 HydrophobicContact CB-CD2 3.96Å; I488-L536 HydrophobicContact CD1-CD2 4.3Å; I488-L536 HydrophobicContact CG1-CD2 4.18Å; L536-V538 HydrophobicContact CD2-CG2 4.26Å; L536-V538 HydrophobicContact CG-CG2 4.06Å; L536-W563 HydrophobicContact CB-CE3 4.24Å; L536-W563 HydrophobicContact CB-CZ3 4.39Å; L536-E564 PolarHBondContact N-O 3.48Å; L536-V565 HydrophobicContact CB-CG2 4.34Å; L536-V565 HydrophobicContact CD2-CG1 4.38Å; L536-V565 HydrophobicContact CD2-CG2 4.39Å; L536-V565 CarbonylContact O-C 3.5Å; L536-V565 VanDerWaalsContact O-CA 3.32Å; L536-V565 WeakPolarHBondContact O-CA 3.44Å; L536-L566 PolarHBondContact O-N 2.94Å
537I98.3Very high80.4Confident0 Ų040.4 Ų40.40%020%0.199CC..EExtended strand (participates in β ladder)trans-94.1127.8175.4-51.3176.4000107.6F144 L178 P186 Q228 L229 L230 R535 L566F144-I537 HydrophobicContact CE1-CG2 3.99Å; F144-I537 HydrophobicContact CZ-CG2 4.16Å; L178-I537 HydrophobicContact CD2-CG2 4.18Å; P186-I537 HydrophobicContact CG-CD1 4.45Å; Q228-I537 PolarHBondContact O-N 2.89Å; L229-I537 CarbonylContact C-O 3.51Å; L229-I537 VanDerWaalsContact CA-O 3.3Å; L229-I537 WeakPolarHBondContact CA-O 3.31Å; L229-I537 HydrophobicContact CD1-CB 3.73Å; L229-I537 HydrophobicContact CD1-CG2 3.53Å; L230-I537 PolarHBondContact N-O 3.29Å; R535-I537 HydrophobicContact CB-CG1 4.5Å; I537-L566 CarbonylContact C-O 3.59Å; I537-L566 WeakPolarHBondContact CA-O 3.34Å
538V98.4Very high83.4Confident0 Ų034.6 Ų34.60%016%0.161CC..EExtended strand (participates in β ladder)trans-120.6118.9179.1-177.80000108.2L230 V232 I480 M484 L536 V540 V565 L566 I567 G568L230-V538 HydrophobicContact CB-CG2 4.45Å; L230-V538 HydrophobicContact CD1-CG2 4.35Å; V232-V538 HydrophobicContact CG2-CG1 4.17Å; I480-V538 HydrophobicContact CD1-CG1 3.88Å; I480-V538 HydrophobicContact CG1-CG1 4.13Å; M484-V538 HydrophobicContact CE-CB 4.42Å; M484-V538 HydrophobicContact CE-CG1 4.49Å; M484-V538 HydrophobicContact CE-CG2 4.14Å; M484-V538 HydrophobicContact CG-CG2 4.19Å; L536-V538 HydrophobicContact CD2-CG2 4.26Å; L536-V538 HydrophobicContact CG-CG2 4.06Å; V538-V540 HydrophobicContact CG1-CG2 4.33Å; V538-V565 HydrophobicContact CG2-CG1 4.46Å; V538-L566 PolarHBondContact N-O 2.92Å; V538-I567 HydrophobicContact CB-CG1 4.22Å; V538-I567 HydrophobicContact CG1-CG1 4.35Å; V538-I567 CarbonylContact O-C 3.51Å; V538-I567 WeakPolarHBondContact O-CA 3.41Å; V538-G568 PolarHBondContact O-N 3.01Å
539F98.3Very high86.5Confident2 Ų229.4 Ų29.41%0.00913%0.129CC..EExtended strand (participates in β ladder)trans-110.4118175-176-106.9000110.2F144 L146 V171 I175 L200 L229 L230 V232 V541 G568F144-F539 AromaticContact CE2-CD2 3.9Å; F144-F539 HydrophobicContact CE2-CD2 3.9Å; F144-F539 HydrophobicContact CE2-CE2 4.42Å; F144-F539 HydrophobicContact CZ-CD2 4.11Å; L146-F539 HydrophobicContact CD1-CE2 3.5Å; L146-F539 HydrophobicContact CD1-CZ 3.6Å; L146-F539 HydrophobicContact CG-CE2 3.94Å; L146-F539 HydrophobicContact CG-CZ 4.45Å; V171-F539 HydrophobicContact CG1-CD1 4.47Å; V171-F539 HydrophobicContact CG1-CE1 3.5Å; V171-F539 VanDerWaalsContact CG1-CE1 3.5Å; V171-F539 HydrophobicContact CG1-CE2 4.44Å; V171-F539 HydrophobicContact CG1-CZ 3.49Å; V171-F539 VanDerWaalsContact CG1-CZ 3.49Å; I175-F539 HydrophobicContact CD1-CB 4.23Å; I175-F539 HydrophobicContact CD1-CD1 3.62Å; I175-F539 HydrophobicContact CD1-CD2 3.8Å; I175-F539 HydrophobicContact CD1-CE1 3.83Å; I175-F539 HydrophobicContact CD1-CE2 4.02Å; I175-F539 HydrophobicContact CD1-CG 3.59Å; I175-F539 HydrophobicContact CD1-CZ 4.04Å; I175-F539 HydrophobicContact CG1-CD2 4.25Å; I175-F539 HydrophobicContact CG1-CE2 4.42Å; I175-F539 HydrophobicContact CG1-CG 4.46Å; L200-F539 HydrophobicContact CD2-CD1 4.48Å; L200-F539 HydrophobicContact CD2-CE1 4.19Å; L229-F539 HydrophobicContact CD1-CB 4.5Å; L230-F539 PolarHBondContact O-N 3.08Å; V232-F539 PolarHBondContact N-O 3.44Å; F539-V541 HydrophobicContact CD1-CG2 4.1Å; F539-V541 HydrophobicContact CE1-CG2 3.83Å; F539-G568 WeakPolarHBondContact CA-O 3.44Å
540V97.4Very high89.2Confident1 Ų122.1 Ų22.11%0.00610%0.095CC..EExtended strand (participates in β ladder)trans-100.4117.6176.4-170.60000109.5V232 V538 G543 G568 S569V232-V540 HydrophobicContact CB-CG2 4.45Å; V232-V540 CarbonylContact O-C 3.55Å; V232-V540 VanDerWaalsContact O-CA 3.31Å; V232-V540 WeakPolarHBondContact O-CA 3.4Å; V538-V540 HydrophobicContact CG1-CG2 4.33Å; V540-G543 WeakPolarHBondContact CG1-O 3.45Å; V540-G568 PolarHBondContact N-O 3.38Å; V540-S569 VanDerWaalsContact O-CA 3.32Å; V540-S569 WeakPolarHBondContact O-CA 3.49Å; V540-S569 VanDerWaalsContact O-CB 3.25Å; V540-S569 WeakPolarHBondContact O-CB 3.33Å; V540-S569 PolarHBondContact O-OG 2.94Å; V540-S569 VanDerWaalsContact O-OG 3.05Å
541V93.8Very high91.6Very high5 Ų514.2 Ų14.23%0.036%0.064CC..EExtended strand (participates in β ladder)trans-77.2124.4174.3-172.60000108.8F155 L200 I231 V232 R234 F539F155-V541 HydrophobicContact CB-CG1 4.13Å; F155-V541 HydrophobicContact CD1-CG1 3.85Å; F155-V541 HydrophobicContact CD2-CG1 3.58Å; F155-V541 HydrophobicContact CE1-CG1 4.07Å; F155-V541 HydrophobicContact CE2-CG1 3.79Å; F155-V541 HydrophobicContact CE2-CG2 4.5Å; F155-V541 HydrophobicContact CG-CG1 3.58Å; F155-V541 HydrophobicContact CZ-CG1 4.03Å; L200-V541 HydrophobicContact CD2-CG2 3.66Å; I231-V541 HydrophobicContact CG2-CG2 4.3Å; V232-V541 PolarHBondContact O-N 2.77Å; R234-V541 WeakPolarHBondContact CB-O 3.49Å; R234-V541 PolarHBondContact N-O 3.47Å; R234-V541 VanDerWaalsContact N-O 3.08Å; F539-V541 HydrophobicContact CD1-CG2 4.1Å; F539-V541 HydrophobicContact CE1-CG2 3.83Å
542G90.8Very high93.7Very high0 Ų04.7 Ų4.70%03%0.028CC..THydrogen-bonded Turntrans8934177.500000114.4L152 R234L152-G542 WeakPolarHBondContact CD1-O 3.32Å; R234-G542 WeakPolarHBondContact CD-O 3.26Å
543G95.8Very high95.5Very high0 Ų04 Ų40%02%0.021CC..  trans99.5142168.600000114.4R234 V540 S569 H571 L573R234-G543 WeakPolarHBondContact CD-O 3.42Å; R234-G543 PolarHBondContact NH1-O 2.67Å; V540-G543 WeakPolarHBondContact CG1-O 3.45Å; G543-S569 WeakPolarHBondContact CA-OG 3.43Å; G543-S569 PolarHBondContact N-OG 2.96Å; G543-H571 WeakPolarHBondContact CA-O 3.24Å; G543-L573 VanDerWaalsContact C-CD1 3.42Å
544V97.8Very high96.5Very high0 Ų05.8 Ų5.80%03%0.027CC..EExtended strand (participates in β ladder)trans-117.6133.6173.765.10000110E548 M549 I567 S569 H571 I572 L573V544-E548 HydrophobicContact CG2-CB 3.67Å; V544-M549 HydrophobicContact CG1-CG 4.32Å; V544-M549 HydrophobicContact CG2-CG 4.23Å; V544-I567 HydrophobicContact CG2-CD1 3.46Å; V544-I567 VanDerWaalsContact CG2-CD1 3.46Å; V544-I567 HydrophobicContact CG2-CG1 3.97Å; V544-S569 PolarHBondContact N-OG 3.07Å; V544-H571 PolarHBondContact N-O 3.21Å; V544-I572 HydrophobicContact CG1-CD1 3.57Å; V544-L573 PolarHBondContact O-N 3.18Å
545S97.9Very high96.9Very high6 Ų65.8 Ų5.84%0.0423%0.026CC..EExtended strand (participates in β ladder)trans-84.7160.8177.878.70000112.3S547 E548 M549S545-S547 PolarHBondContact O-N 3.49Å; S545-S547 PolarHBondContact OG-OG 3.11Å; S545-E548 PolarHBondContact N-OE2 2.94Å; S545-E548 WeakPolarHBondContact O-CB 3.48Å; S545-E548 PolarHBondContact O-N 3.47Å; S545-E548 VanDerWaalsContact O-N 3.12Å; S545-E548 WeakPolarHBondContact OG-CG 3.19Å; S545-E548 PolarHBondContact OG-N 3.26Å; S545-M549 WeakPolarHBondContact O-CG 3.29Å; S545-M549 PolarHBondContact O-N 2.86Å
546H98.3Very high96.9Very high9 Ų95.6 Ų5.64%0.0423%0.027CC..Hα-helixtrans-61.8-28.8176.4-69.692.6000113.7A250 Y253 R550 L573A250-H546 HydrophobicContact CB-CB 3.6Å; Y253-H546 AromaticContact CD1-CE1 3.77Å; Y253-H546 AromaticContact CD1-NE2 3.84Å; Y253-H546 AromaticContact CG-CE1 3.75Å; Y253-H546 AromaticContact CG-NE2 3.79Å; H546-R550 WeakPolarHBondContact O-CB 3.38Å; H546-R550 PolarHBondContact O-N 2.94Å; H546-L573 PolarHBondContact ND1-O 2.85Å
547S97.4Very high96.8Very high2 Ų213 Ų131%0.0146%0.055CC..Hα-helixtrans-73.2-32.3175.154.60000112.7E245 S545 S551E245-S547 WeakPolarHBondContact OE1-CB 3.42Å; E245-S547 PolarHBondContact OE1-OG 3.09Å; S545-S547 PolarHBondContact O-N 3.49Å; S545-S547 PolarHBondContact OG-OG 3.11Å; S547-S551 PolarHBondContact O-N 3.45Å; S547-S551 VanDerWaalsContact O-N 3.09Å; S547-S551 PolarHBondContact O-OG 2.87Å
548E98.3Very high96.5Very high0 Ų016.9 Ų16.90%08%0.082CC..Hα-helixtrans-70.6-40.9171.7-66177.3137.600111.4R234 P478 I480 V544 S545 S551 A552 I567R234-E548 IonicContact CZ-OE1 3.72Å; R234-E548 IonicContact CZ-OE2 2.79Å; R234-E548 IonicContact NH1-OE1 3.13Å; R234-E548 PolarHBondContact NH1-OE1 3.3Å; R234-E548 IonicContact NH1-OE2 3.72Å; R234-E548 PolarHBondContact NH1-OE2 3.45Å; R234-E548 IonicContact NH2-OE1 3.41Å; R234-E548 PolarHBondContact NH2-OE1 3.07Å; R234-E548 IonicContact NH2-OE2 2.69Å; P478-E548 HydrophobicContact CB-CG 4.02Å; I480-E548 HydrophobicContact CG2-CB 3.88Å; I480-E548 HydrophobicContact CG2-CG 3.74Å; V544-E548 HydrophobicContact CG2-CB 3.67Å; S545-E548 PolarHBondContact N-OE2 2.94Å; S545-E548 WeakPolarHBondContact O-CB 3.48Å; S545-E548 PolarHBondContact O-N 3.47Å; S545-E548 VanDerWaalsContact O-N 3.12Å; S545-E548 WeakPolarHBondContact OG-CG 3.19Å; S545-E548 PolarHBondContact OG-N 3.26Å; E548-S551 WeakPolarHBondContact O-CB 3.48Å; E548-S551 PolarHBondContact O-N 3.09Å; E548-S551 VanDerWaalsContact O-N 3.16Å; E548-A552 PolarHBondContact O-N 2.81Å; E548-I567 HydrophobicContact CB-CD1 4.01Å
549M98.4Very high96.1Very high0 Ų017.9 Ų17.90%09%0.088CC..Hα-helixtrans-56-51170.8-68.4164.85500111.3Y139 E140 V143 V544 S545 S551 A552 Y553 I572Y139-M549 HydrophobicContact CD1-CE 3.92Å; Y139-M549 HydrophobicContact CE1-CE 3.75Å; E140-M549 HydrophobicContact CG-CE 4.35Å; V143-M549 HydrophobicContact CB-CE 4.34Å; V143-M549 HydrophobicContact CG1-CE 4.04Å; V143-M549 HydrophobicContact CG1-CG 3.95Å; V143-M549 HydrophobicContact CG1-SD 4.21Å; V143-M549 HydrophobicContact CG2-CB 4.01Å; V143-M549 HydrophobicContact CG2-CE 3.96Å; V143-M549 HydrophobicContact CG2-CG 3.92Å; V544-M549 HydrophobicContact CG1-CG 4.32Å; V544-M549 HydrophobicContact CG2-CG 4.23Å; S545-M549 WeakPolarHBondContact O-CG 3.29Å; S545-M549 PolarHBondContact O-N 2.86Å; M549-S551 PolarHBondContact O-N 2.91Å; M549-A552 WeakPolarHBondContact O-CB 3.27Å; M549-A552 PolarHBondContact O-N 3.35Å; M549-A552 VanDerWaalsContact O-N 3.11Å; M549-Y553 VanDerWaalsContact O-CD2 3.29Å; M549-Y553 WeakPolarHBondContact O-CD2 3.45Å; M549-I572 HydrophobicContact SD-CD1 4.11Å; M549-I572 HydrophobicContact SD-CG2 3.76Å
550R98.1Very high95.6Very high18 Ų1824.3 Ų24.37%0.06812%0.123CC..Hα-helixtrans-52.9-42.1175.1-178-174.177.5-138.7-4.2112E245 T247 H292 H546 A552 Y553 E554E245-R550 IonicContact OE2-CZ 2.78Å; E245-R550 IonicContact OE2-NH1 3.54Å; E245-R550 PolarHBondContact OE2-NH1 3.07Å; E245-R550 IonicContact OE2-NH2 3.69Å; T247-R550 PolarHBondContact OG1-NH1 2.98Å; H292-R550 HydrophobicContact CB-CG 3.93Å; H546-R550 WeakPolarHBondContact O-CB 3.38Å; H546-R550 PolarHBondContact O-N 2.94Å; R550-A552 VanDerWaalsContact C-N 3.29Å; R550-A552 PolarHBondContact O-N 2.93Å; R550-Y553 PolarHBondContact O-N 3.36Å; R550-Y553 VanDerWaalsContact O-N 3.16Å; R550-E554 VanDerWaalsContact CD-OE1 3.29Å; R550-E554 WeakPolarHBondContact CD-OE1 3.18Å; R550-E554 HydrophobicContact CG-CG 4.33Å; R550-E554 WeakPolarHBondContact CG-OE1 3.39Å; R550-E554 IonicContact NE-OE1 2.83Å; R550-E554 PolarHBondContact NE-OE1 3.23Å; R550-E554 WeakPolarHBondContact O-CG 3.31Å; R550-E554 PolarHBondContact O-N 3.18Å
551S97.6Very high94.8Very high0 Ų026 Ų260%014%0.141CC..Hα-helixtrans-60.8-36-178.5-61.30000112.4S547 E548 M549 Y553 E554 V555S547-S551 PolarHBondContact O-N 3.45Å; S547-S551 VanDerWaalsContact O-N 3.09Å; S547-S551 PolarHBondContact O-OG 2.87Å; E548-S551 WeakPolarHBondContact O-CB 3.48Å; E548-S551 PolarHBondContact O-N 3.09Å; E548-S551 VanDerWaalsContact O-N 3.16Å; M549-S551 PolarHBondContact O-N 2.91Å; S551-Y553 PolarHBondContact O-N 3.22Å; S551-E554 PolarHBondContact O-N 3.46Å; S551-V555 VanDerWaalsContact O-CG2 3.31Å; S551-V555 WeakPolarHBondContact O-CG2 3.49Å; S551-V555 PolarHBondContact O-N 2.68Å
552A97.7Very high94.5Very high0 Ų032.5 Ų32.50%017%0.169CC..Hα-helixtrans-61.6-42.6175.300000112.5M484 E548 M549 R550 T556 V565 I567M484-A552 HydrophobicContact CE-CB 4.2Å; M484-A552 HydrophobicContact SD-CB 4.47Å; E548-A552 PolarHBondContact O-N 2.81Å; M549-A552 WeakPolarHBondContact O-CB 3.27Å; M549-A552 PolarHBondContact O-N 3.35Å; M549-A552 VanDerWaalsContact O-N 3.11Å; R550-A552 VanDerWaalsContact C-N 3.29Å; R550-A552 PolarHBondContact O-N 2.93Å; A552-T556 WeakPolarHBondContact O-CB 3.31Å; A552-T556 PolarHBondContact O-N 3.37Å; A552-T556 PolarHBondContact O-OG1 3.18Å; A552-V565 HydrophobicContact CB-CB 4.2Å; A552-V565 HydrophobicContact CB-CG1 3.84Å; A552-I567 HydrophobicContact CB-CB 4.07Å; A552-I567 HydrophobicContact CB-CG2 3.58Å
553Y96.9Very high94.6Very high15 Ų1533.3 Ų33.36%0.05917%0.172CC..Hα-helixtrans-68.1-39.4175-67.7-85000112.5E140 S141 Q142 V143 R291 H292 M549 R550 S551 R557E140-Y553 WeakPolarHBondContact CB-OH 3.4Å; E140-Y553 WeakPolarHBondContact OE2-CE2 3.44Å; E140-Y553 VanDerWaalsContact OE2-CZ 3.3Å; E140-Y553 PolarHBondContact OE2-OH 3.46Å; S141-Y553 PolarHBondContact OG-OH 3.35Å; Q142-Y553 HydrophobicContact CB-CD1 4.3Å; Q142-Y553 HydrophobicContact CB-CE1 3.67Å; Q142-Y553 HydrophobicContact CB-CE2 4.24Å; Q142-Y553 HydrophobicContact CG-CD1 4.08Å; Q142-Y553 HydrophobicContact CG-CE1 3.58Å; Q142-Y553 PolarHBondContact N-OH 2.7Å; V143-Y553 HydrophobicContact CG2-CE2 3.97Å; R291-Y553 PolarHBondContact NH2-OH 2.7Å; H292-Y553 AromaticContact CD2-CD2 3.85Å; H292-Y553 AromaticContact CD2-CG 3.95Å; H292-Y553 AromaticContact CE1-CD2 3.92Å; H292-Y553 AromaticContact NE2-CD2 3.11Å; H292-Y553 WeakPolarHBondContact NE2-CD2 3.43Å; H292-Y553 AromaticContact NE2-CE2 3.39Å; H292-Y553 WeakPolarHBondContact NE2-CE2 3.4Å; H292-Y553 AromaticContact NE2-CG 3.63Å; M549-Y553 VanDerWaalsContact O-CD2 3.29Å; M549-Y553 WeakPolarHBondContact O-CD2 3.45Å; R550-Y553 PolarHBondContact O-N 3.36Å; R550-Y553 VanDerWaalsContact O-N 3.16Å; S551-Y553 PolarHBondContact O-N 3.22Å; Y553-R557 WeakPolarHBondContact O-CB 3.46Å; Y553-R557 VanDerWaalsContact O-CG 3.27Å; Y553-R557 WeakPolarHBondContact O-CG 3.45Å; Y553-R557 PolarHBondContact O-N 3.35Å; Y553-R557 PolarHBondContact O-NE 2.8Å
554E95.9Very high94.5Very high47 Ų4733.6 Ų33.622%0.2217%0.173CC..Hα-helixtrans-62.1-45.8176.6-72.3175.3-172.700111.8K481 R550 S551 R557 S558K481-E554 WeakPolarHBondContact CE-OE2 3.35Å; K481-E554 IonicContact NZ-OE2 3.25Å; K481-E554 PolarHBondContact NZ-OE2 3.42Å; R550-E554 VanDerWaalsContact CD-OE1 3.29Å; R550-E554 WeakPolarHBondContact CD-OE1 3.18Å; R550-E554 HydrophobicContact CG-CG 4.33Å; R550-E554 WeakPolarHBondContact CG-OE1 3.39Å; R550-E554 IonicContact NE-OE1 2.83Å; R550-E554 PolarHBondContact NE-OE1 3.23Å; R550-E554 WeakPolarHBondContact O-CG 3.31Å; R550-E554 PolarHBondContact O-N 3.18Å; S551-E554 PolarHBondContact O-N 3.46Å; E554-R557 PolarHBondContact O-N 2.88Å; E554-S558 PolarHBondContact O-N 3.16Å
555V96.1Very high94.4Very high1 Ų133.6 Ų33.61%0.00617%0.173CC..Hα-helixtrans-69.1-39179176.60000111.4K481 M484 E485 I488 S551 R557 S558 T559 V565K481-V555 HydrophobicContact CG-CG2 3.87Å; M484-V555 HydrophobicContact CB-CB 4.44Å; M484-V555 HydrophobicContact CB-CG1 4.13Å; M484-V555 HydrophobicContact CB-CG2 4.08Å; M484-V555 HydrophobicContact SD-CG2 4.4Å; E485-V555 HydrophobicContact CG-CG2 4.05Å; I488-V555 HydrophobicContact CD1-CG1 3.39Å; S551-V555 VanDerWaalsContact O-CG2 3.31Å; S551-V555 WeakPolarHBondContact O-CG2 3.49Å; S551-V555 PolarHBondContact O-N 2.68Å; V555-R557 VanDerWaalsContact C-N 3.33Å; V555-R557 PolarHBondContact O-N 3.27Å; V555-S558 PolarHBondContact O-N 3.19Å; V555-S558 PolarHBondContact O-OG 3.02Å; V555-T559 WeakPolarHBondContact O-CG2 3.29Å; V555-T559 PolarHBondContact O-N 3.5Å; V555-V565 HydrophobicContact CB-CG2 4.2Å; V555-V565 HydrophobicContact CG1-CG2 3.87Å
556T94.9Very high94.4Very high12 Ų1233.3 Ų33.37%0.07417%0.171CC..Hα-helixtrans-60.2-45.5174.1-61.50000111.1Q142 A552 T559 G561 V565Q142-T556 PolarHBondContact NE2-OG1 2.9Å; A552-T556 WeakPolarHBondContact O-CB 3.31Å; A552-T556 PolarHBondContact O-N 3.37Å; A552-T556 PolarHBondContact O-OG1 3.18Å; T556-T559 PolarHBondContact O-N 3.27Å; T556-T559 PolarHBondContact O-OG1 3.25Å; T556-G561 PolarHBondContact O-N 2.99Å; T556-V565 WeakPolarHBondContact OG1-CB 3.46Å; T556-V565 PolarHBondContact OG1-N 3.35Å
557R93.8Very high94.4Very high154 Ų15432.9 Ų32.958%0.58117%0.169SC*.Hα-helixtrans-64.7-38176.4-73.8-176.3-66.2179.63.2112.7Y553 E554 V555 T559 D560Y553-R557 WeakPolarHBondContact O-CB 3.46Å; Y553-R557 VanDerWaalsContact O-CG 3.27Å; Y553-R557 WeakPolarHBondContact O-CG 3.45Å; Y553-R557 PolarHBondContact O-N 3.35Å; Y553-R557 PolarHBondContact O-NE 2.8Å; E554-R557 PolarHBondContact O-N 2.88Å; V555-R557 VanDerWaalsContact C-N 3.33Å; V555-R557 PolarHBondContact O-N 3.27Å; R557-T559 PolarHBondContact O-N 3.38Å; R557-D560 PolarHBondContact O-N 2.92Å
558S92.6Very high94.5Very high82 Ų8232.8 Ų32.857%0.57317%0.168SC*.Hα-helixtrans-67.3-20.2-18073.60000113.5E554 V555 D560E554-S558 PolarHBondContact O-N 3.16Å; V555-S558 PolarHBondContact O-N 3.19Å; V555-S558 PolarHBondContact O-OG 3.02Å; S558-D560 VanDerWaalsContact C-N 3.33Å
559T90.2Very high94.4Very high21 Ų2132.8 Ų32.813%0.12917%0.168CC..THydrogen-bonded Turntrans-907.2173.870.70000113.8I488 V555 T556 R557 G561 K562 W563I488-T559 HydrophobicContact CD1-CG2 4.31Å; I488-T559 HydrophobicContact CG2-CG2 4.01Å; V555-T559 WeakPolarHBondContact O-CG2 3.29Å; V555-T559 PolarHBondContact O-N 3.5Å; T556-T559 PolarHBondContact O-N 3.27Å; T556-T559 PolarHBondContact O-OG1 3.25Å; R557-T559 PolarHBondContact O-N 3.38Å; T559-G561 PolarHBondContact O-N 2.97Å; T559-K562 VanDerWaalsContact O-CB 3.25Å; T559-K562 WeakPolarHBondContact O-CB 3.37Å; T559-K562 WeakPolarHBondContact O-CD 3.42Å; T559-K562 WeakPolarHBondContact O-CG 3.26Å; T559-K562 PolarHBondContact O-N 3.27Å; T559-K562 PolarHBondContact OG1-N 2.8Å; T559-W563 HydrophobicContact CG2-CB 4.21Å; T559-W563 PolarHBondContact OG1-N 2.92Å; T559-W563 VanDerWaalsContact OG1-N 3.13Å; T559-W563 PolarHBondContact OG1-O 2.9Å
560D86.9Confident94.2Very high137 Ų13732.8 Ų32.873%0.73317%0.169SC*.THydrogen-bonded Turntrans53.831.6-170.5-57.4-49.9000112.8R557 S558 K562R557-D560 PolarHBondContact O-N 2.92Å; S558-D560 VanDerWaalsContact C-N 3.33Å; D560-K562 VanDerWaalsContact C-N 3.27Å; D560-K562 PolarHBondContact O-N 2.58Å
561G80.9Confident94.1Very high38 Ų3832.7 Ų32.739%0.39217%0.169SC..THydrogen-bonded Turntrans71.814.1-176.700000114.9T556 T559 W563T556-G561 PolarHBondContact O-N 2.99Å; T559-G561 PolarHBondContact O-N 2.97Å; G561-W563 VanDerWaalsContact C-N 3.29Å
562K87.8Confident94.1Very high141 Ų14134.3 Ų34.361%0.61318%0.177SC*.SBendtrans-69.1-30172.2-68.2169.9-1731580112.3G533 P534 T559 D560G533-K562 WeakPolarHBondContact CA-O 3.12Å; P534-K562 WeakPolarHBondContact CD-O 2.81Å; T559-K562 VanDerWaalsContact O-CB 3.25Å; T559-K562 WeakPolarHBondContact O-CB 3.37Å; T559-K562 WeakPolarHBondContact O-CD 3.42Å; T559-K562 WeakPolarHBondContact O-CG 3.26Å; T559-K562 PolarHBondContact O-N 3.27Å; T559-K562 PolarHBondContact OG1-N 2.8Å; D560-K562 VanDerWaalsContact C-N 3.27Å; D560-K562 PolarHBondContact O-N 2.58Å
563W92.2Very high94Very high16 Ų1634.4 Ų34.46%0.06118%0.178CC..SBendtrans-119.6142.6168.5-79.380.5000108.8R226 I488 P534 L536 T559 G561R226-W563 HydrophobicContact CB-CH2 4.39Å; R226-W563 VanDerWaalsContact O-CH2 3.3Å; R226-W563 WeakPolarHBondContact O-CH2 3.44Å; I488-W563 HydrophobicContact CB-CD2 4.4Å; I488-W563 HydrophobicContact CB-CG 4.46Å; I488-W563 HydrophobicContact CD1-CB 3.99Å; I488-W563 HydrophobicContact CD1-CG 4.3Å; I488-W563 HydrophobicContact CG1-CB 4.14Å; I488-W563 HydrophobicContact CG1-CD2 3.78Å; I488-W563 HydrophobicContact CG1-CE3 3.93Å; I488-W563 HydrophobicContact CG1-CG 3.91Å; I488-W563 HydrophobicContact CG2-CB 4.47Å; I488-W563 HydrophobicContact CG2-CD2 4.17Å; I488-W563 HydrophobicContact CG2-CG 3.86Å; P534-W563 HydrophobicContact CB-CD2 3.97Å; P534-W563 HydrophobicContact CB-CE3 3.75Å; P534-W563 HydrophobicContact CB-CH2 3.75Å; P534-W563 HydrophobicContact CB-CZ2 3.97Å; P534-W563 HydrophobicContact CB-CZ3 3.64Å; P534-W563 HydrophobicContact CG-CD2 3.49Å; P534-W563 VanDerWaalsContact CG-CD2 3.49Å; P534-W563 HydrophobicContact CG-CE3 3.83Å; P534-W563 HydrophobicContact CG-CG 4.01Å; P534-W563 HydrophobicContact CG-CH2 4Å; P534-W563 HydrophobicContact CG-CZ2 3.68Å; P534-W563 HydrophobicContact CG-CZ3 4.08Å; P534-W563 WeakPolarHBondContact O-CA 3.26Å; P534-W563 VanDerWaalsContact O-CE3 3.31Å; L536-W563 HydrophobicContact CB-CE3 4.24Å; L536-W563 HydrophobicContact CB-CZ3 4.39Å; T559-W563 HydrophobicContact CG2-CB 4.21Å; T559-W563 PolarHBondContact OG1-N 2.92Å; T559-W563 VanDerWaalsContact OG1-N 3.13Å; T559-W563 PolarHBondContact OG1-O 2.9Å; G561-W563 VanDerWaalsContact C-N 3.29Å
564E93.9Very high94Very high6 Ų634.8 Ų34.83%0.02818%0.182CC..EExtended strand (participates in β ladder)trans-109.6120.5171.7177.4177.4-145.500108.8P534 R535 L536 L566P534-E564 PolarHBondContact O-N 2.99Å; P534-E564 VanDerWaalsContact O-N 3.16Å; R535-E564 CarbonylContact C-O 3.54Å; R535-E564 VanDerWaalsContact CA-O 3.3Å; R535-E564 WeakPolarHBondContact CA-O 3.23Å; R535-E564 HydrophobicContact CG-CB 4.2Å; R535-E564 IonicContact CZ-OE2 3.62Å; R535-E564 IonicContact NE-OE2 2.76Å; R535-E564 PolarHBondContact NE-OE2 3.23Å; R535-E564 IonicContact NH2-OE2 2.92Å; R535-E564 PolarHBondContact NH2-OE2 2.73Å; L536-E564 PolarHBondContact N-O 3.48Å; E564-L566 HydrophobicContact CG-CD2 4.11Å; E564-L566 HydrophobicContact CG-CG 4.46Å
565V97.1Very high94.1Very high0 Ų033.2 Ų33.20%018%0.175CC..EExtended strand (participates in β ladder)trans-96.1121.6176.4-173.60000109Q142 M484 I488 L536 V538 A552 V555 T556Q142-V565 PolarHBondContact NE2-O 3.23Å; M484-V565 HydrophobicContact CE-CG1 4.09Å; M484-V565 HydrophobicContact CG-CG1 4.1Å; M484-V565 HydrophobicContact SD-CG1 3.91Å; I488-V565 HydrophobicContact CD1-CG2 3.81Å; L536-V565 HydrophobicContact CB-CG2 4.34Å; L536-V565 HydrophobicContact CD2-CG1 4.38Å; L536-V565 HydrophobicContact CD2-CG2 4.39Å; L536-V565 CarbonylContact O-C 3.5Å; L536-V565 VanDerWaalsContact O-CA 3.32Å; L536-V565 WeakPolarHBondContact O-CA 3.44Å; V538-V565 HydrophobicContact CG2-CG1 4.46Å; A552-V565 HydrophobicContact CB-CB 4.2Å; A552-V565 HydrophobicContact CB-CG1 3.84Å; V555-V565 HydrophobicContact CB-CG2 4.2Å; V555-V565 HydrophobicContact CG1-CG2 3.87Å; T556-V565 WeakPolarHBondContact OG1-CB 3.46Å; T556-V565 PolarHBondContact OG1-N 3.35Å
566L98Very high94.1Very high0 Ų035.9 Ų35.90%019%0.192CC..EExtended strand (participates in β ladder)trans-108.2127.9170.9-58.3-179.5000108.1L6 Q142 L182 L536 I537 V538 E564L6-L566 HydrophobicContact CD1-CD1 4.47Å; L6-L566 HydrophobicContact CD1-CD2 3.99Å; L6-L566 HydrophobicContact CD2-CD1 4.21Å; L6-L566 HydrophobicContact CG-CD1 4.48Å; L6-L566 HydrophobicContact CG-CD2 4.18Å; Q142-L566 HydrophobicContact CB-CD2 4.1Å; Q142-L566 HydrophobicContact CG-CD2 4.34Å; Q142-L566 WeakPolarHBondContact O-CA 3.36Å; L182-L566 HydrophobicContact CD1-CD1 3.37Å; L536-L566 PolarHBondContact O-N 2.94Å; I537-L566 CarbonylContact C-O 3.59Å; I537-L566 WeakPolarHBondContact CA-O 3.34Å; V538-L566 PolarHBondContact N-O 2.92Å; E564-L566 HydrophobicContact CG-CD2 4.11Å; E564-L566 HydrophobicContact CG-CG 4.46Å
567I98.5Very high94.1Very high0 Ų037.8 Ų37.80%020%0.203CC..EExtended strand (participates in β ladder)trans-118.1139.6177.1-170.8175.8000109.8Q142 V143 F144 M484 V538 V544 E548 A552Q142-I567 PolarHBondContact O-N 3.33Å; V143-I567 VanDerWaalsContact CA-O 3.24Å; V143-I567 WeakPolarHBondContact CA-O 3.28Å; V143-I567 HydrophobicContact CG2-CG2 4.02Å; F144-I567 WeakPolarHBondContact CD1-O 3.32Å; F144-I567 PolarHBondContact N-O 3.07Å; M484-I567 HydrophobicContact CE-CB 4.33Å; M484-I567 HydrophobicContact CE-CD1 3.69Å; M484-I567 HydrophobicContact CE-CG1 4.3Å; V538-I567 HydrophobicContact CB-CG1 4.22Å; V538-I567 HydrophobicContact CG1-CG1 4.35Å; V538-I567 CarbonylContact O-C 3.51Å; V538-I567 WeakPolarHBondContact O-CA 3.41Å; V544-I567 HydrophobicContact CG2-CD1 3.46Å; V544-I567 VanDerWaalsContact CG2-CD1 3.46Å; V544-I567 HydrophobicContact CG2-CG1 3.97Å; E548-I567 HydrophobicContact CB-CD1 4.01Å; A552-I567 HydrophobicContact CB-CB 4.07Å; A552-I567 HydrophobicContact CB-CG2 3.58Å
568G98Very high94.2Very high0 Ų030.4 Ų30.40%018%0.176CC..EExtended strand (participates in β ladder)trans-157.4175.8174.700000112.7F144 V538 F539 V540F144-G568 VanDerWaalsContact CE1-N 3.32Å; F144-G568 WeakPolarHBondContact O-CA 3.12Å; V538-G568 PolarHBondContact O-N 3.01Å; F539-G568 WeakPolarHBondContact CA-O 3.44Å; V540-G568 PolarHBondContact N-O 3.38Å
569S97.8Very high94.4Very high0 Ų026.6 Ų26.60%015%0.149CC..EExtended strand (participates in β ladder)trans-161.4175-171167.60000109.6F144 S145 L146 V540 G543 V544 H571F144-S569 PolarHBondContact O-N 2.98Å; S145-S569 WeakPolarHBondContact CA-O 3.2Å; L146-S569 PolarHBondContact N-O 3.33Å; V540-S569 VanDerWaalsContact O-CA 3.32Å; V540-S569 WeakPolarHBondContact O-CA 3.49Å; V540-S569 VanDerWaalsContact O-CB 3.25Å; V540-S569 WeakPolarHBondContact O-CB 3.33Å; V540-S569 PolarHBondContact O-OG 2.94Å; V540-S569 VanDerWaalsContact O-OG 3.05Å; G543-S569 WeakPolarHBondContact CA-OG 3.43Å; G543-S569 PolarHBondContact N-OG 2.96Å; V544-S569 PolarHBondContact N-OG 3.07Å; S569-H571 VanDerWaalsContact C-N 3.26Å; S569-H571 WeakPolarHBondContact CB-O 3.4Å; S569-H571 PolarHBondContact O-N 2.81Å; S569-H571 PolarHBondContact OG-N 3.37Å; S569-H571 PolarHBondContact OG-O 3.38Å
570S93.9Very high94.7Very high1 Ų129 Ų291%0.00716%0.161CC..SBendtrans-55.6-40.2166.655.70000112.8S145 D147 D148 S151S145-S570 PolarHBondContact OG-O 3.41Å; D147-S570 PolarHBondContact N-O 3.19Å; D148-S570 PolarHBondContact N-O 3.48Å; D148-S570 VanDerWaalsContact O-CB 3.31Å; D148-S570 WeakPolarHBondContact O-CB 3.46Å; S151-S570 WeakPolarHBondContact OG-CB 3.25Å
571H95.3Very high95Very high15 Ų1524.3 Ų24.37%0.06914%0.136CC..SBendtrans-158.8169178.456.8-88.3000111.2D148 P149 G543 V544 S569 L573 D581D148-H571 PolarHBondContact O-ND1 3.24Å; D148-H571 VanDerWaalsContact O-ND1 3.16Å; P149-H571 WeakPolarHBondContact CA-ND1 3.43Å; G543-H571 WeakPolarHBondContact CA-O 3.24Å; V544-H571 PolarHBondContact N-O 3.21Å; S569-H571 VanDerWaalsContact C-N 3.26Å; S569-H571 WeakPolarHBondContact CB-O 3.4Å; S569-H571 PolarHBondContact O-N 2.81Å; S569-H571 PolarHBondContact OG-N 3.37Å; S569-H571 PolarHBondContact OG-O 3.38Å; H571-L573 VanDerWaalsContact NE2-CD2 3.29Å; H571-L573 WeakPolarHBondContact NE2-CD2 3.28Å; H571-D581 IonicContact NE2-OD2 3.85Å; H571-D581 PolarHBondContact NE2-OD2 3.36Å
572I96.8Very high95.6Very high34 Ų3422.5 Ų22.517%0.17412%0.117CC..EExtended strand (participates in β ladder)trans-93.5133.4177.6-49.9-56.8000109.4Y139 V143 V544 M549Y139-I572 HydrophobicContact CD1-CD1 4.17Å; Y139-I572 HydrophobicContact CD1-CG1 4.04Å; Y139-I572 HydrophobicContact CE1-CG1 4.04Å; Y139-I572 HydrophobicContact CG-CG1 4.33Å; V143-I572 HydrophobicContact CG1-CD1 4.01Å; V544-I572 HydrophobicContact CG1-CD1 3.57Å; M549-I572 HydrophobicContact SD-CD1 4.11Å; M549-I572 HydrophobicContact SD-CG2 3.76Å
573L96.4Very high95.9Very high2 Ų218.1 Ų18.11%0.0110%0.098CC..EExtended strand (participates in β ladder)trans-98.4136.9-177.1-65.1175.4000112.3P241 G543 V544 H546 H571 F578P241-L573 HydrophobicContact CB-CD1 4.1Å; P241-L573 HydrophobicContact CG-CD1 4.29Å; G543-L573 VanDerWaalsContact C-CD1 3.42Å; V544-L573 PolarHBondContact O-N 3.18Å; H546-L573 PolarHBondContact ND1-O 2.85Å; H571-L573 VanDerWaalsContact NE2-CD2 3.29Å; H571-L573 WeakPolarHBondContact NE2-CD2 3.28Å; L573-F578 HydrophobicContact CD1-CB 4.34Å; L573-F578 HydrophobicContact CD1-CD2 3.92Å; L573-F578 HydrophobicContact CD1-CG 4.31Å; L573-F578 HydrophobicContact CD2-CB 4.06Å; L573-F578 HydrophobicContact CD2-CD2 4.27Å
574T97.1Very high95.7Very high24 Ų2419.5 Ų19.515%0.14712%0.118CC..PPolyproline II helixtrans-103.4157.5147.974.50000109.5Y253 T576 T577 F578Y253-T574 WeakPolarHBondContact O-CG2 3.45Å; T574-T576 PolarHBondContact O-N 2.99Å; T574-T577 PolarHBondContact N-OG1 3.09Å; T574-T577 PolarHBondContact O-N 3.27Å; T574-T577 VanDerWaalsContact O-N 3.08Å; T574-T577 PolarHBondContact O-OG1 2.92Å; T574-T577 WeakPolarHBondContact OG1-CG2 3.46Å; T574-T577 PolarHBondContact OG1-N 3.46Å; T574-T577 PolarHBondContact OG1-OG1 2.91Å; T574-F578 PolarHBondContact O-N 3.48Å
575P97Very high95.4Very high13 Ų1319.5 Ų19.58%0.08412%0.118CC..Hα-helixtrans-52.7-42.5176.4-28.537.1000112.4P241 D254 F578 L579P241-P575 VanDerWaalsContact O-CA 3.29Å; P241-P575 WeakPolarHBondContact O-CA 3.39Å; P241-P575 WeakPolarHBondContact O-CB 3.48Å; P241-P575 WeakPolarHBondContact O-CG 3.4Å; D254-P575 HydrophobicContact CB-CG 4.4Å; D254-P575 WeakPolarHBondContact OD1-CD 3.29Å; D254-P575 WeakPolarHBondContact OD1-CG 3.26Å; P575-F578 PolarHBondContact O-N 2.96Å; P575-L579 VanDerWaalsContact O-CG 3.26Å; P575-L579 WeakPolarHBondContact O-CG 3.12Å; P575-L579 PolarHBondContact O-N 3.17Å
576T96Very high94.3Very high58 Ų5827.9 Ų27.936%0.35616%0.157SC..Hα-helixtrans-62.1-45.8176.7-62.10000112.5Y400 T574 L579 N580Y400-T576 HydrophobicContact CD2-CG2 4.22Å; Y400-T576 HydrophobicContact CE2-CG2 4.08Å; T574-T576 PolarHBondContact O-N 2.99Å; T576-L579 PolarHBondContact O-N 3.47Å; T576-N580 VanDerWaalsContact O-CG 3.24Å; T576-N580 PolarHBondContact O-N 3.38Å; T576-N580 PolarHBondContact O-ND2 3.18Å
577T95.4Very high94.1Very high51 Ų5129.3 Ų29.331%0.31317%0.165SC..Hα-helixtrans-63.2-42.1177.154.10000111.8T574 L579 N580 D581T574-T577 PolarHBondContact N-OG1 3.09Å; T574-T577 PolarHBondContact O-N 3.27Å; T574-T577 VanDerWaalsContact O-N 3.08Å; T574-T577 PolarHBondContact O-OG1 2.92Å; T574-T577 WeakPolarHBondContact OG1-CG2 3.46Å; T574-T577 PolarHBondContact OG1-N 3.46Å; T574-T577 PolarHBondContact OG1-OG1 2.91Å; T577-L579 PolarHBondContact O-N 3.44Å; T577-N580 WeakPolarHBondContact O-CB 3.38Å; T577-N580 PolarHBondContact O-N 3.41Å; T577-N580 VanDerWaalsContact O-N 3.14Å; T577-D581 PolarHBondContact O-N 2.81Å
578F96.6Very high93.8Very high0 Ų030.8 Ų30.80%017%0.173CC..Hα-helixtrans-62.4-43.9178.8-178.5-122000112.1L152 R234 P241 V242 I442 I445 L573 T574 P575 N580 D581 L582L152-F578 HydrophobicContact CD1-CD2 4.27Å; L152-F578 HydrophobicContact CD1-CE2 4.28Å; R234-F578 HydrophobicContact CG-CE2 3.73Å; R234-F578 HydrophobicContact CG-CZ 4.13Å; P241-F578 HydrophobicContact CB-CB 4.46Å; P241-F578 HydrophobicContact CB-CD1 3.76Å; P241-F578 HydrophobicContact CB-CE1 4.09Å; P241-F578 HydrophobicContact CB-CG 4.01Å; V242-F578 HydrophobicContact CG1-CD1 3.77Å; V242-F578 HydrophobicContact CG1-CE1 3.81Å; I442-F578 HydrophobicContact CD1-CE1 4.38Å; I445-F578 HydrophobicContact CD1-CZ 4.16Å; L573-F578 HydrophobicContact CD1-CB 4.34Å; L573-F578 HydrophobicContact CD1-CD2 3.92Å; L573-F578 HydrophobicContact CD1-CG 4.31Å; L573-F578 HydrophobicContact CD2-CB 4.06Å; L573-F578 HydrophobicContact CD2-CD2 4.27Å; T574-F578 PolarHBondContact O-N 3.48Å; P575-F578 PolarHBondContact O-N 2.96Å; F578-N580 VanDerWaalsContact C-N 3.32Å; F578-N580 PolarHBondContact O-N 3.23Å; F578-D581 PolarHBondContact O-N 3.21Å; F578-L582 HydrophobicContact CD1-CD1 4.13Å; F578-L582 HydrophobicContact CE1-CD1 3.72Å; F578-L582 HydrophobicContact CE1-CG 4.48Å; F578-L582 HydrophobicContact CE2-CD1 4.32Å; F578-L582 HydrophobicContact CE2-CD2 4.35Å; F578-L582 HydrophobicContact CE2-CG 4.22Å; F578-L582 HydrophobicContact CZ-CD1 3.83Å; F578-L582 HydrophobicContact CZ-CD2 4.31Å; F578-L582 HydrophobicContact CZ-CG 4.19Å; F578-L582 WeakPolarHBondContact O-CG 3.27Å; F578-L582 PolarHBondContact O-N 3.27Å
579L96.8Very high93.6Very high1 Ų132.5 Ų32.51%0.00518%0.183CC..Hα-helixtrans-63.8-37.1175.6-65.3175.8000111.9V242 Y400 I403 R404 L407 I438 P575 T576 T577 L582 K583V242-L579 HydrophobicContact CG1-CD2 4.45Å; Y400-L579 HydrophobicContact CD2-CB 4.11Å; Y400-L579 HydrophobicContact CD2-CD1 3.67Å; Y400-L579 HydrophobicContact CE2-CB 4.05Å; Y400-L579 HydrophobicContact CE2-CD1 4.43Å; Y400-L579 HydrophobicContact CG-CD1 4.01Å; I403-L579 HydrophobicContact CG2-CD2 4.05Å; R404-L579 HydrophobicContact CG-CD1 4.02Å; L407-L579 HydrophobicContact CD1-CD2 4Å; I438-L579 HydrophobicContact CD1-CB 4.34Å; I438-L579 WeakPolarHBondContact CG1-O 3.38Å; I438-L579 HydrophobicContact CG2-CB 4.23Å; I438-L579 HydrophobicContact CG2-CD2 3.65Å; P575-L579 VanDerWaalsContact O-CG 3.26Å; P575-L579 WeakPolarHBondContact O-CG 3.12Å; P575-L579 PolarHBondContact O-N 3.17Å; T576-L579 PolarHBondContact O-N 3.47Å; T577-L579 PolarHBondContact O-N 3.44Å; L579-L582 PolarHBondContact O-N 3.23Å; L579-K583 PolarHBondContact O-N 3.24Å
580N95.4Very high93.4Very high72 Ų7234.4 Ų34.439%0.38519%0.194SC..Hα-helixtrans-66.7-40.7174.7-71.2-27.6000112.3Y400 T576 T577 F578 L582 K583 G584Y400-N580 WeakPolarHBondContact CE2-OD1 3.38Å; Y400-N580 PolarHBondContact OH-OD1 3.36Å; T576-N580 VanDerWaalsContact O-CG 3.24Å; T576-N580 PolarHBondContact O-N 3.38Å; T576-N580 PolarHBondContact O-ND2 3.18Å; T577-N580 WeakPolarHBondContact O-CB 3.38Å; T577-N580 PolarHBondContact O-N 3.41Å; T577-N580 VanDerWaalsContact O-N 3.14Å; F578-N580 VanDerWaalsContact C-N 3.32Å; F578-N580 PolarHBondContact O-N 3.23Å; N580-L582 VanDerWaalsContact C-N 3.33Å; N580-L582 PolarHBondContact O-N 3.26Å; N580-K583 VanDerWaalsContact O-CB 3.25Å; N580-K583 WeakPolarHBondContact O-CB 3.33Å; N580-K583 PolarHBondContact O-N 3.04Å; N580-K583 VanDerWaalsContact O-N 3.15Å; N580-G584 PolarHBondContact O-N 3.35Å
581D93.7Very high93.3Very high39 Ų3936.5 Ų36.521%0.20921%0.205CC..Hα-helixtrans-63.9-42.2177.1-63.5-27000110.8L152 H571 T577 F578 K583 G584 L585L152-D581 HydrophobicContact CD1-CB 3.83Å; L152-D581 HydrophobicContact CD2-CB 4.21Å; L152-D581 HydrophobicContact CG-CB 4.47Å; H571-D581 IonicContact NE2-OD2 3.85Å; H571-D581 PolarHBondContact NE2-OD2 3.36Å; T577-D581 PolarHBondContact O-N 2.81Å; F578-D581 PolarHBondContact O-N 3.21Å; D581-K583 VanDerWaalsContact C-N 3.29Å; D581-K583 PolarHBondContact O-N 2.88Å; D581-G584 PolarHBondContact O-N 2.98Å; D581-L585 PolarHBondContact O-N 3.19Å
582L94Very high93.2Very high0 Ų037.9 Ų37.90%021%0.214CC..Hα-helixtrans-61.8-37172.9-70.3176.1000112.2I438 N441 I442 I445 F578 L579 N580 G584 L585I438-L582 HydrophobicContact CG2-CB 4.02Å; I438-L582 HydrophobicContact CG2-CD1 4.18Å; N441-L582 WeakPolarHBondContact CB-O 3.24Å; N441-L582 PolarHBondContact ND2-O 3.13Å; I442-L582 HydrophobicContact CB-CD1 4.35Å; I442-L582 HydrophobicContact CB-CD2 4.47Å; I442-L582 HydrophobicContact CD1-CD1 3.81Å; I442-L582 HydrophobicContact CG1-CD1 4.09Å; I442-L582 HydrophobicContact CG1-CD2 4.26Å; I445-L582 HydrophobicContact CG2-CD2 4.27Å; F578-L582 HydrophobicContact CD1-CD1 4.13Å; F578-L582 HydrophobicContact CE1-CD1 3.72Å; F578-L582 HydrophobicContact CE1-CG 4.48Å; F578-L582 HydrophobicContact CE2-CD1 4.32Å; F578-L582 HydrophobicContact CE2-CD2 4.35Å; F578-L582 HydrophobicContact CE2-CG 4.22Å; F578-L582 HydrophobicContact CZ-CD1 3.83Å; F578-L582 HydrophobicContact CZ-CD2 4.31Å; F578-L582 HydrophobicContact CZ-CG 4.19Å; F578-L582 WeakPolarHBondContact O-CG 3.27Å; F578-L582 PolarHBondContact O-N 3.27Å; L579-L582 PolarHBondContact O-N 3.23Å; N580-L582 VanDerWaalsContact C-N 3.33Å; N580-L582 PolarHBondContact O-N 3.26Å; L582-G584 PolarHBondContact O-N 2.98Å; L582-L585 HydrophobicContact CD2-CD1 3.78Å; L582-L585 PolarHBondContact O-N 3.2Å
583K93.3Very high92.9Very high48 Ų4838.2 Ų38.221%0.20922%0.217CC..Hα-helixtrans-60.7-33.7176.4-162.7174.8176176.20112.1E434 D435 I438 L579 N580 D581E434-K583 VanDerWaalsContact CG-CE 3.47Å; E434-K583 WeakPolarHBondContact OE1-CE 3.49Å; E434-K583 IonicContact OE1-NZ 2.59Å; E434-K583 PolarHBondContact OE1-NZ 3.23Å; D435-K583 WeakPolarHBondContact OD1-CE 3.45Å; D435-K583 IonicContact OD1-NZ 3.02Å; D435-K583 PolarHBondContact OD1-NZ 2.8Å; I438-K583 HydrophobicContact CD1-CB 4.2Å; I438-K583 HydrophobicContact CD1-CD 4.23Å; I438-K583 HydrophobicContact CD1-CG 4.34Å; I438-K583 HydrophobicContact CG1-CB 3.66Å; I438-K583 HydrophobicContact CG1-CD 4.37Å; I438-K583 HydrophobicContact CG1-CG 3.94Å; L579-K583 PolarHBondContact O-N 3.24Å; N580-K583 VanDerWaalsContact O-CB 3.25Å; N580-K583 WeakPolarHBondContact O-CB 3.33Å; N580-K583 PolarHBondContact O-N 3.04Å; N580-K583 VanDerWaalsContact O-N 3.15Å; D581-K583 VanDerWaalsContact C-N 3.29Å; D581-K583 PolarHBondContact O-N 2.88Å
584G87.7Confident92.7Very high46 Ų4641 Ų4147%0.47423%0.233SC..THydrogen-bonded Turntrans-85.60.3179.700000115.6N580 D581 L582N580-G584 PolarHBondContact O-N 3.35Å; D581-G584 PolarHBondContact O-N 2.98Å; L582-G584 PolarHBondContact O-N 2.98Å
585L87.9Confident92.3Very high5 Ų542.4 Ų42.43%0.02624%0.24CC..  trans-74.5140.7173.6-65.1-179.4000111.1L152 N157 N441 N444 I445 D581 L582L152-L585 HydrophobicContact CD2-CD1 4.04Å; L152-L585 HydrophobicContact CD2-CD2 3.76Å; L152-L585 HydrophobicContact CD2-CG 4.16Å; N157-L585 WeakPolarHBondContact OD1-CA 3.42Å; N157-L585 VanDerWaalsContact OD1-CD2 3.22Å; N157-L585 WeakPolarHBondContact OD1-CD2 3.48Å; N441-L585 HydrophobicContact CB-CB 4.11Å; N441-L585 PolarHBondContact ND2-O 3.18Å; N444-L585 HydrophobicContact CB-CD1 4.19Å; I445-L585 HydrophobicContact CG2-CD1 4.35Å; D581-L585 PolarHBondContact O-N 3.19Å; L582-L585 HydrophobicContact CD2-CD1 3.78Å; L582-L585 PolarHBondContact O-N 3.2Å
586E73.7Confident91.9Very high176 Ų17645.1 Ų45.182%0.82225%0.254SS*.  trans-122.60-179.7-66.7-17615600111.3N157N157-E586 PolarHBondContact OD1-N 3.16Å; N157-E586 VanDerWaalsContact OD1-N 3.1Å

Retrieved 586 of 586 residues in 181.5 ms (Link to these results)

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