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Flavin-containing monooxygenase

Acts as a Baeyer-Villiger monooxygenase on a broad range of substrates. Catalyzes the insertion of an oxygen atom into a carbon-carbon bond adjacent to a carbonyl, which converts ketones to esters. Active on diverse carbonyl compounds, whereas soft nucleophiles are mostly non- or poorly reactive. In contrast with other forms of FMO it is non- or poorly active on 'classical' substrates such as drugs, pesticides, and dietary components containing soft nucleophilic heteroatoms. Able to oxidize drug molecules bearing a carbonyl group on an aliphatic chain, such as nabumetone and pentoxifylline. Also, in the absence of substrates, shows slow but yet significant NADPH oxidase activity. Acts as a positive modulator of cholesterol biosynthesis as well as glucose homeostasis, promoting metabolic aging via pleiotropic effects. Broad spectrum monooxygenase that catalyzes the oxygenation of a wide variety of nitrogen- and sulfur-containing compounds including xenobiotics. Catalyzes the S-oxygenation of hypotaurine to produce taurine, an organic osmolyte involved in cell volume regulation as well as a variety of cytoprotective and developmental processes. In vitro, catalyzes the N-oxygenation of trimethylamine (TMA) to produce trimethylamine N-oxide (TMAO) and could therefore participate to the detoxification of this compound that is generated by the action of gut microbiota from dietary precursors such as choline, choline containing compounds, betaine or L-carnitine.

AlphaFold DB , UniProt , Accession A0A077YYU9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 542 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
1M48.9Very low91Very high244 Ų24464.5 Ų64.5100%1.20231%0.313SS*.  0132.30-73.5178.9-167.100106.5
2D78.1Confident91.6Very high163 Ų16359.8 Ų59.887%0.87229%0.294SS*.  trans-61.2146.7171.9-68.5-29000109.6
3K88.9Confident92.1Very high133 Ų13356.6 Ų56.658%0.57828%0.28SS*.  trans-67.5142.5177.4-69.2-176.9178.4-179.10109.3R5 E28K3-R5 PolarHBondContact O-N 3.18Å; K3-R5 VanDerWaalsContact O-N 3.12Å; K3-E28 HydrophobicContact CB-CB 4.06Å; K3-E28 HydrophobicContact CD-CB 4.49Å
4M95.8Very high92.6Very high57 Ų5753.5 Ų53.528%0.28127%0.266SS..  trans-58.8112.3170.9-175.972.278.400109.2V6 F27 E28 Q144 L395M4-V6 HydrophobicContact CG-CG2 4.13Å; M4-F27 HydrophobicContact CB-CB 4.35Å; M4-F27 HydrophobicContact CB-CD1 3.55Å; M4-F27 HydrophobicContact CB-CE1 3.94Å; M4-F27 HydrophobicContact CB-CG 3.99Å; M4-F27 HydrophobicContact CG-CD1 4.13Å; M4-F27 HydrophobicContact CG-CE1 4.26Å; M4-F27 HydrophobicContact CG-CG 4.26Å; M4-F27 WeakPolarHBondContact O-CB 3.38Å; M4-E28 PolarHBondContact O-N 2.94Å; M4-Q144 HydrophobicContact CG-CB 4.36Å; M4-Q144 HydrophobicContact SD-CB 3.18Å; M4-Q144 WeakPolarHBondContact SD-CB 3.33Å; M4-Q144 HydrophobicContact SD-CG 3.76Å; M4-L395 HydrophobicContact CE-CD1 4.18Å; M4-L395 HydrophobicContact CE-CG 4.1Å; M4-L395 HydrophobicContact CG-CD2 3.93Å; M4-L395 HydrophobicContact CG-CG 4.22Å; M4-L395 HydrophobicContact SD-CD1 4.36Å; M4-L395 HydrophobicContact SD-CD2 4.47Å; M4-L395 HydrophobicContact SD-CG 4.35Å
5R98.3Very high93Very high95 Ų9549.9 Ų49.936%0.35825%0.249SC..EExtended strand (participates in β ladder)trans-86.8128.1176.8-61-172.6-62.8-159.6-0.9109.7K3 E28 V142 V143 Q144 A145K3-R5 PolarHBondContact O-N 3.18Å; K3-R5 VanDerWaalsContact O-N 3.12Å; R5-E28 WeakPolarHBondContact CA-O 3.47Å; R5-E28 HydrophobicContact CG-CB 4.28Å; R5-V142 PolarHBondContact NH2-O 2.96Å; R5-V143 HydrophobicContact CB-CB 4.5Å; R5-V143 HydrophobicContact CB-CG1 4.26Å; R5-Q144 VanDerWaalsContact CB-OE1 3.31Å; R5-Q144 PolarHBondContact O-N 3.17Å; R5-Q144 VanDerWaalsContact O-N 3.08Å; R5-Q144 PolarHBondContact O-OE1 3.13Å; R5-A145 PolarHBondContact O-N 2.74Å
6V98.8Very high93.4Very high0 Ų046.8 Ų46.80%023%0.233CC..EExtended strand (participates in β ladder)trans-123.9116.2-176.7-175.20000109.1M4 I8 F27 E28 P29 I30 A145 F147 L395M4-V6 HydrophobicContact CG-CG2 4.13Å; V6-I8 HydrophobicContact CG1-CG1 4.22Å; V6-F27 HydrophobicContact CG2-CB 4.25Å; V6-F27 HydrophobicContact CG2-CD2 4.17Å; V6-F27 HydrophobicContact CG2-CG 4.49Å; V6-E28 PolarHBondContact N-O 2.93Å; V6-P29 CarbonylContact O-C 3.49Å; V6-P29 WeakPolarHBondContact O-CA 3.27Å; V6-I30 PolarHBondContact O-N 3.38Å; V6-A145 WeakPolarHBondContact CA-O 3.38Å; V6-A145 HydrophobicContact CG1-CB 4.28Å; V6-A145 HydrophobicContact CG2-CB 4.33Å; V6-F147 HydrophobicContact CG1-CD1 3.56Å; V6-F147 HydrophobicContact CG1-CE1 3.71Å; V6-F147 HydrophobicContact CG1-CG 4.04Å; V6-F147 HydrophobicContact CG1-CZ 4.28Å; V6-L395 HydrophobicContact CG2-CD2 3.9Å
7A98.9Very high93.7Very high0 Ų044.1 Ų44.10%022%0.219CC..EExtended strand (participates in β ladder)trans-78.9134.8168.600000109.6I9 I30 F32 V128 V143 A145 V146 F147A7-I9 HydrophobicContact CB-CD1 4.28Å; A7-I30 CarbonylContact C-O 3.47Å; A7-I30 WeakPolarHBondContact CA-O 3.44Å; A7-F32 HydrophobicContact CB-CE2 4.11Å; A7-V128 HydrophobicContact CB-CG2 3.83Å; A7-V143 HydrophobicContact CB-CG1 4.23Å; A7-V143 HydrophobicContact CB-CG2 3.91Å; A7-A145 PolarHBondContact N-O 3.41Å; A7-V146 HydrophobicContact CB-CG2 4.34Å; A7-V146 CarbonylContact O-C 3.59Å; A7-V146 VanDerWaalsContact O-CA 3.3Å; A7-V146 WeakPolarHBondContact O-CA 3.31Å; A7-F147 PolarHBondContact O-N 2.83Å
8I98.9Very high94Very high0 Ų041.6 Ų41.60%021%0.207CC..EExtended strand (participates in β ladder)trans-121.3125177.9-62.6164000107.7V6 A18 V19 P29 I30 C31 F32 F147 C149V6-I8 HydrophobicContact CG1-CG1 4.22Å; I8-A18 HydrophobicContact CD1-CB 3.79Å; I8-A18 HydrophobicContact CG1-CB 4.13Å; I8-A18 HydrophobicContact CG2-CB 3.93Å; I8-V19 HydrophobicContact CD1-CB 4.24Å; I8-V19 HydrophobicContact CD1-CG2 3.57Å; I8-P29 HydrophobicContact CD1-CB 3.67Å; I8-I30 PolarHBondContact N-O 3.4Å; I8-C31 HydrophobicContact CB-CB 4.06Å; I8-C31 HydrophobicContact CG2-CB 4.34Å; I8-C31 CarbonylContact O-C 3.52Å; I8-C31 VanDerWaalsContact O-CA 3.29Å; I8-C31 WeakPolarHBondContact O-CA 3.44Å; I8-F32 PolarHBondContact O-N 2.79Å; I8-F147 HydrophobicContact CG1-CB 4.15Å; I8-C149 HydrophobicContact CG2-CB 4.24Å
9I98.6Very high94.2Very high7 Ų739.4 Ų39.44%0.03620%0.196CC..EExtended strand (participates in β ladder)trans-102105.9-174.1-41.8-42.9000110.2A7 F32 V111 I114 V146 F147 L148 C149 T150 Y338A7-I9 HydrophobicContact CB-CD1 4.28Å; I9-F32 HydrophobicContact CD1-CD2 4.11Å; I9-V111 HydrophobicContact CD1-CB 4.46Å; I9-V111 HydrophobicContact CD1-CG1 4.4Å; I9-V111 HydrophobicContact CD1-CG2 3.7Å; I9-V111 HydrophobicContact CG1-CG2 4.47Å; I9-V111 HydrophobicContact CG2-CB 4.1Å; I9-V111 HydrophobicContact CG2-CG2 3.96Å; I9-I114 HydrophobicContact CD1-CD1 4.26Å; I9-I114 HydrophobicContact CG1-CD1 3.98Å; I9-V146 HydrophobicContact CD1-CG1 4.12Å; I9-V146 HydrophobicContact CG1-CG1 3.98Å; I9-F147 PolarHBondContact N-O 2.83Å; I9-L148 HydrophobicContact CG1-CD2 4.16Å; I9-C149 CarbonylContact O-C 3.42Å; I9-C149 VanDerWaalsContact O-CA 3.22Å; I9-C149 WeakPolarHBondContact O-CA 3.39Å; I9-C149 VanDerWaalsContact O-CB 3.23Å; I9-C149 WeakPolarHBondContact O-CB 3.4Å; I9-C149 PolarHBondContact O-N 3.36Å; I9-T150 HydrophobicContact CB-CG2 4.06Å; I9-T150 HydrophobicContact CG2-CG2 3.58Å; I9-T150 WeakPolarHBondContact O-CG2 3.48Å; I9-T150 PolarHBondContact O-N 3.18Å; I9-Y338 HydrophobicContact CG2-CE1 4.23Å
10G98.1Very high94.4Very high11 Ų1137.9 Ų37.911%0.11319%0.188CC..  trans98.7128.5179.600000113.5G12 G15 F32G10-G12 VanDerWaalsContact C-N 3.34Å; G10-G12 PolarHBondContact O-N 3.43Å; G10-G15 VanDerWaalsContact O-CA 3.26Å; G10-G15 WeakPolarHBondContact O-CA 3.48Å; G10-F32 WeakPolarHBondContact CA-O 3.23Å; G10-F32 PolarHBondContact N-O 2.99Å
11A98.3Very high94.7Very high0 Ų036 Ų360%018%0.179CC..  trans-96.133.7178.800000113.1L16 E33 I38 G39 I105A11-L16 HydrophobicContact CB-CD2 4.47Å; A11-E33 WeakPolarHBondContact CA-OE2 3.41Å; A11-E33 HydrophobicContact CB-CB 3.68Å; A11-E33 HydrophobicContact CB-CG 3.88Å; A11-E33 PolarHBondContact N-OE2 2.96Å; A11-I38 HydrophobicContact CB-CG2 4.49Å; A11-G39 PolarHBondContact O-N 3.24Å; A11-I105 HydrophobicContact CB-CD1 4.09Å; A11-I105 HydrophobicContact CB-CG2 4.05Å
12G97.9Very high97Very high8 Ų824.4 Ų24.48%0.08212%0.122CC..SBendtrans-72.3-176.8165.200000112.5G10 S14 G15 L16G10-G12 VanDerWaalsContact C-N 3.34Å; G10-G12 PolarHBondContact O-N 3.43Å; G12-S14 PolarHBondContact O-N 2.98Å; G12-S14 VanDerWaalsContact O-N 3.11Å; G12-G15 PolarHBondContact O-N 2.92Å; G12-L16 WeakPolarHBondContact O-CG 3.28Å; G12-L16 PolarHBondContact O-N 3.36Å
13P98.1Very high98Very high18 Ų1819.4 Ų19.412%0.11710%0.095CC..Hα-helixtrans-53.5-36.3-179.1-26.335000114T17 F70 F92 M381P13-T17 WeakPolarHBondContact O-CG2 3.5Å; P13-T17 PolarHBondContact O-N 3.44Å; P13-T17 PolarHBondContact O-OG1 3.35Å; P13-F70 HydrophobicContact CB-CZ 4.26Å; P13-F92 HydrophobicContact CB-CE1 4.37Å; P13-F92 HydrophobicContact CB-CZ 4.12Å; P13-F92 HydrophobicContact CG-CE1 4.22Å; P13-F92 HydrophobicContact CG-CE2 3.81Å; P13-F92 HydrophobicContact CG-CZ 3.5Å; P13-M381 HydrophobicContact CB-CG 4.01Å; P13-M381 HydrophobicContact CG-CG 4.47Å
14S98.7Very high98.4Very high13 Ų1315.7 Ų15.79%0.0918%0.081CC..Hα-helixtrans-62.1-48.7172.4-62.20000112.3G12 T17 A18 I371 S384G12-S14 PolarHBondContact O-N 2.98Å; G12-S14 VanDerWaalsContact O-N 3.11Å; S14-T17 PolarHBondContact O-N 3.44Å; S14-T17 PolarHBondContact O-OG1 3.36Å; S14-A18 WeakPolarHBondContact O-CB 3.43Å; S14-A18 PolarHBondContact O-N 2.86Å; S14-I371 PolarHBondContact OG-O 3.16Å; S14-S384 WeakPolarHBondContact OG-CB 3.31Å; S14-S384 PolarHBondContact OG-OG 3.43Å
15G98.7Very high98.5Very high0 Ų014.5 Ų14.50%07%0.074CC..Hα-helixtrans-67-40.1179.100000113.6G10 G12 T17 A18 V19G10-G15 VanDerWaalsContact O-CA 3.26Å; G10-G15 WeakPolarHBondContact O-CA 3.48Å; G12-G15 PolarHBondContact O-N 2.92Å; G15-T17 VanDerWaalsContact C-N 3.3Å; G15-T17 PolarHBondContact O-N 3.11Å; G15-A18 WeakPolarHBondContact O-CB 3.33Å; G15-A18 PolarHBondContact O-N 3.38Å; G15-V19 WeakPolarHBondContact O-CG2 3.38Å; G15-V19 PolarHBondContact O-N 3.3Å
16L98.9Very high98.5Very high0 Ų012 Ų120%08%0.077CC..Hα-helixtrans-60.2-42.6176.7-61.5-176.9000111.3A11 G12 K20 I38 F92 Y95 V96 I101 I105A11-L16 HydrophobicContact CB-CD2 4.47Å; G12-L16 WeakPolarHBondContact O-CG 3.28Å; G12-L16 PolarHBondContact O-N 3.36Å; L16-K20 PolarHBondContact O-N 3.08Å; L16-I38 HydrophobicContact CD1-CD1 4.29Å; L16-I38 HydrophobicContact CD2-CB 4.22Å; L16-I38 HydrophobicContact CD2-CG2 4.12Å; L16-F92 HydrophobicContact CD1-CB 4.04Å; L16-F92 HydrophobicContact CD1-CG 4.27Å; L16-Y95 HydrophobicContact CB-CE1 4.42Å; L16-V96 HydrophobicContact CD1-CG2 3.96Å; L16-V96 HydrophobicContact CD2-CG2 3.69Å; L16-V96 HydrophobicContact CG-CG2 4.33Å; L16-I101 HydrophobicContact CD2-CG2 4.07Å; L16-I105 HydrophobicContact CD2-CD1 3.92Å
17T98.8Very high98.5Very high0 Ų013 Ų130%08%0.082CC..Hα-helixtrans-70.9-38.4174.953.30000111.9P13 S14 G15 V19 K20 I21 F70 E385P13-T17 WeakPolarHBondContact O-CG2 3.5Å; P13-T17 PolarHBondContact O-N 3.44Å; P13-T17 PolarHBondContact O-OG1 3.35Å; S14-T17 PolarHBondContact O-N 3.44Å; S14-T17 PolarHBondContact O-OG1 3.36Å; G15-T17 VanDerWaalsContact C-N 3.3Å; G15-T17 PolarHBondContact O-N 3.11Å; T17-V19 PolarHBondContact O-N 2.75Å; T17-K20 PolarHBondContact O-N 3.48Å; T17-I21 VanDerWaalsContact O-CG1 3.28Å; T17-I21 WeakPolarHBondContact O-CG1 2.99Å; T17-I21 PolarHBondContact O-N 3.06Å; T17-F70 HydrophobicContact CG2-CD1 3.3Å; T17-F70 HydrophobicContact CG2-CE1 3.19Å; T17-F70 HydrophobicContact CG2-CE2 4.44Å; T17-F70 HydrophobicContact CG2-CG 4.01Å; T17-F70 HydrophobicContact CG2-CZ 3.81Å; T17-E385 HydrophobicContact CG2-CB 3.85Å; T17-E385 HydrophobicContact CG2-CG 3.94Å
18A98.9Very high98.4Very high0 Ų017 Ų170%010%0.101CC..Hα-helixtrans-57-46.8174.900000112.1I8 S14 G15 I21 C22 F147 C388I8-A18 HydrophobicContact CD1-CB 3.79Å; I8-A18 HydrophobicContact CG1-CB 4.13Å; I8-A18 HydrophobicContact CG2-CB 3.93Å; S14-A18 WeakPolarHBondContact O-CB 3.43Å; S14-A18 PolarHBondContact O-N 2.86Å; G15-A18 WeakPolarHBondContact O-CB 3.33Å; G15-A18 PolarHBondContact O-N 3.38Å; A18-I21 PolarHBondContact O-N 3.38Å; A18-C22 WeakPolarHBondContact O-CB 3.42Å; A18-C22 PolarHBondContact O-N 2.78Å; A18-C22 PolarHBondContact O-SG 2.73Å; A18-F147 HydrophobicContact CB-CD2 3.94Å; A18-C388 WeakPolarHBondContact CA-SG 3.41Å; A18-C388 PolarHBondContact N-SG 3.37Å; A18-C388 VanDerWaalsContact N-SG 3.45Å
19V98.9Very high98.4Very high0 Ų017.1 Ų17.10%010%0.101CC..Hα-helixtrans-59.2-52.1176.5173.80000109.8I8 G15 T17 I21 C22 L23 P29 C31 I101 H104I8-V19 HydrophobicContact CD1-CB 4.24Å; I8-V19 HydrophobicContact CD1-CG2 3.57Å; G15-V19 WeakPolarHBondContact O-CG2 3.38Å; G15-V19 PolarHBondContact O-N 3.3Å; T17-V19 PolarHBondContact O-N 2.75Å; V19-I21 PolarHBondContact O-N 2.82Å; V19-C22 WeakPolarHBondContact O-CB 3.34Å; V19-C22 PolarHBondContact O-N 3.13Å; V19-L23 HydrophobicContact CG1-CD1 4.17Å; V19-L23 WeakPolarHBondContact O-CG 3.49Å; V19-L23 PolarHBondContact O-N 3.22Å; V19-P29 HydrophobicContact CG1-CB 4.33Å; V19-P29 HydrophobicContact CG1-CG 3.91Å; V19-P29 HydrophobicContact CG2-CB 4.43Å; V19-C31 HydrophobicContact CG2-CB 3.64Å; V19-I101 HydrophobicContact CB-CG2 3.96Å; V19-I101 HydrophobicContact CG1-CB 4.3Å; V19-I101 HydrophobicContact CG1-CG1 4.28Å; V19-I101 HydrophobicContact CG1-CG2 3.81Å; V19-I101 HydrophobicContact CG2-CG2 4.37Å; V19-H104 HydrophobicContact CG1-CB 3.75Å
20K98.8Very high98.4Very high8 Ų818.5 Ų18.54%0.03511%0.109CC..Hα-helixtrans-57.8-47.2-178.1-170-85.3-168.4-151.90112.1L16 T17 L23 D24 D72 Y95 F99 I101L16-K20 PolarHBondContact O-N 3.08Å; T17-K20 PolarHBondContact O-N 3.48Å; K20-L23 WeakPolarHBondContact O-CB 3.24Å; K20-L23 PolarHBondContact O-N 3.09Å; K20-D24 IonicContact NZ-OD1 2.75Å; K20-D24 PolarHBondContact NZ-OD1 3.44Å; K20-D24 IonicContact NZ-OD2 3.33Å; K20-D24 PolarHBondContact NZ-OD2 3.32Å; K20-D24 PolarHBondContact O-N 2.53Å; K20-D72 WeakPolarHBondContact CE-OD2 3.11Å; K20-D72 IonicContact NZ-OD2 3.06Å; K20-D72 PolarHBondContact NZ-OD2 2.9Å; K20-Y95 HydrophobicContact CB-CE1 4.22Å; K20-Y95 VanDerWaalsContact CB-OH 3.26Å; K20-Y95 WeakPolarHBondContact CB-OH 3.14Å; K20-Y95 WeakPolarHBondContact CD-OH 3.39Å; K20-Y95 HydrophobicContact CG-CE1 4.46Å; K20-Y95 WeakPolarHBondContact CG-OH 3.22Å; K20-F99 HydrophobicContact CG-CB 3.96Å; K20-F99 HydrophobicContact CG-CD1 4.17Å; K20-F99 HydrophobicContact CG-CD2 4.18Å; K20-F99 HydrophobicContact CG-CG 3.84Å; K20-I101 HydrophobicContact CB-CD1 3.89Å; K20-I101 HydrophobicContact CB-CG1 4.34Å; K20-I101 HydrophobicContact CG-CD1 4.42Å
21I98.8Very high98.5Very high0 Ų018 Ų180%010%0.103CC..Hα-helixtrans-69.4-36.7-179.5-59.5-52.8000111.3T17 A18 V19 L23 D24 Y25 E385 C388 R389 C392T17-I21 VanDerWaalsContact O-CG1 3.28Å; T17-I21 WeakPolarHBondContact O-CG1 2.99Å; T17-I21 PolarHBondContact O-N 3.06Å; A18-I21 PolarHBondContact O-N 3.38Å; V19-I21 PolarHBondContact O-N 2.82Å; I21-L23 PolarHBondContact O-N 3.11Å; I21-D24 WeakPolarHBondContact CD1-OD2 3.31Å; I21-D24 WeakPolarHBondContact O-CB 3.46Å; I21-D24 PolarHBondContact O-N 2.73Å; I21-D24 VanDerWaalsContact O-N 3.12Å; I21-Y25 HydrophobicContact CG2-CD2 3.92Å; I21-Y25 HydrophobicContact CG2-CE2 3.94Å; I21-Y25 WeakPolarHBondContact O-CD2 3.18Å; I21-Y25 PolarHBondContact O-N 3.22Å; I21-Y25 VanDerWaalsContact O-N 3.16Å; I21-E385 HydrophobicContact CD1-CG 4.47Å; I21-C388 HydrophobicContact CB-CB 4.1Å; I21-C388 HydrophobicContact CG1-CB 3.89Å; I21-C388 HydrophobicContact CG2-CB 4.48Å; I21-R389 HydrophobicContact CD1-CG 3.67Å; I21-R389 HydrophobicContact CG1-CG 3.96Å; I21-R389 HydrophobicContact CG2-CG 4.14Å; I21-C392 HydrophobicContact CG2-CB 3.8Å
22C98.8Very high98.5Very high0 Ų018.7 Ų18.70%011%0.106CC..Hα-helixtrans-56.2-42.4171.3-74.20000111.4A18 V19 Y25 G26 F27 P29A18-C22 WeakPolarHBondContact O-CB 3.42Å; A18-C22 PolarHBondContact O-N 2.78Å; A18-C22 PolarHBondContact O-SG 2.73Å; V19-C22 WeakPolarHBondContact O-CB 3.34Å; V19-C22 PolarHBondContact O-N 3.13Å; C22-Y25 CarbonylContact O-C 3.02Å; C22-Y25 PolarHBondContact O-N 2.8Å; C22-G26 PolarHBondContact O-N 2.92Å; C22-G26 VanDerWaalsContact O-N 3.15Å; C22-F27 HydrophobicContact CB-CB 4.05Å; C22-F27 HydrophobicContact CB-CD2 4.4Å; C22-F27 WeakPolarHBondContact O-CB 3.26Å; C22-F27 PolarHBondContact O-N 3.14Å; C22-P29 HydrophobicContact CB-CB 3.81Å; C22-P29 HydrophobicContact CB-CG 3.88Å
23L98.4Very high98.5Very high58 Ų5818.9 Ų18.930%0.30411%0.105SC..Hα-helixtrans-65-39.4175.4-62.3173.2000112.5V19 K20 I21 Y25 G26 P29V19-L23 HydrophobicContact CG1-CD1 4.17Å; V19-L23 WeakPolarHBondContact O-CG 3.49Å; V19-L23 PolarHBondContact O-N 3.22Å; K20-L23 WeakPolarHBondContact O-CB 3.24Å; K20-L23 PolarHBondContact O-N 3.09Å; I21-L23 PolarHBondContact O-N 3.11Å; L23-Y25 PolarHBondContact O-N 3.39Å; L23-G26 PolarHBondContact O-N 3.39Å; L23-P29 HydrophobicContact CD2-CG 3.9Å; L23-P29 HydrophobicContact CG-CG 4.1Å
24D98Very high98.4Very high54 Ų5421.5 Ų21.529%0.28911%0.113SC..Hα-helixtrans-58.2-32.4174.9-73.7-16.3000112.2K20 I21 R476 H481K20-D24 IonicContact NZ-OD1 2.75Å; K20-D24 PolarHBondContact NZ-OD1 3.44Å; K20-D24 IonicContact NZ-OD2 3.33Å; K20-D24 PolarHBondContact NZ-OD2 3.32Å; K20-D24 PolarHBondContact O-N 2.53Å; I21-D24 WeakPolarHBondContact CD1-OD2 3.31Å; I21-D24 WeakPolarHBondContact O-CB 3.46Å; I21-D24 PolarHBondContact O-N 2.73Å; I21-D24 VanDerWaalsContact O-N 3.12Å; D24-R476 IonicContact OD2-NH1 2.74Å; D24-H481 PolarHBondContact O-CE1 3.46Å; D24-H481 VanDerWaalsContact O-CE1 3.22Å
25Y97.8Very high98.2Very high32 Ų3220.9 Ų20.913%0.12511%0.108CC..THydrogen-bonded Turntrans-91.4-0177.2-80.8-90000113.9I21 C22 L23 F27 C392 H393 A396 F398 H481I21-Y25 HydrophobicContact CG2-CD2 3.92Å; I21-Y25 HydrophobicContact CG2-CE2 3.94Å; I21-Y25 WeakPolarHBondContact O-CD2 3.18Å; I21-Y25 PolarHBondContact O-N 3.22Å; I21-Y25 VanDerWaalsContact O-N 3.16Å; C22-Y25 CarbonylContact O-C 3.02Å; C22-Y25 PolarHBondContact O-N 2.8Å; L23-Y25 PolarHBondContact O-N 3.39Å; Y25-F27 VanDerWaalsContact C-N 3.32Å; Y25-F27 PolarHBondContact O-N 2.78Å; Y25-C392 HydrophobicContact CD1-CB 4.46Å; Y25-C392 HydrophobicContact CD2-CB 3.27Å; Y25-C392 HydrophobicContact CE2-CB 3.53Å; Y25-C392 HydrophobicContact CG-CB 3.79Å; Y25-H393 HydrophobicContact CE1-CB 4.49Å; Y25-H393 WeakPolarHBondContact OH-CA 3.49Å; Y25-H393 VanDerWaalsContact OH-CB 3.29Å; Y25-H393 WeakPolarHBondContact OH-CB 3.3Å; Y25-H393 PolarHBondContact OH-ND1 2.93Å; Y25-H393 VanDerWaalsContact OH-ND1 3.08Å; Y25-A396 HydrophobicContact CD1-CB 3.7Å; Y25-A396 HydrophobicContact CE1-CB 4.04Å; Y25-F398 HydrophobicContact CD1-CD2 4.38Å; Y25-F398 AromaticContact CD1-CE2 3.95Å; Y25-F398 HydrophobicContact CD1-CE2 3.95Å; Y25-F398 AromaticContact CE1-CD2 3.74Å; Y25-F398 HydrophobicContact CE1-CD2 3.74Å; Y25-F398 AromaticContact CE1-CE2 3.65Å; Y25-F398 HydrophobicContact CE1-CE2 3.65Å; Y25-H481 AromaticContact CD2-NE2 3.43Å; Y25-H481 WeakPolarHBondContact CD2-NE2 3.5Å; Y25-H481 AromaticContact CE1-NE2 3.67Å; Y25-H481 AromaticContact CE2-CD2 3.56Å; Y25-H481 AromaticContact CE2-NE2 3.09Å; Y25-H481 WeakPolarHBondContact CE2-NE2 3.5Å; Y25-H481 AromaticContact CG-NE2 3.89Å; Y25-H481 AromaticContact CZ-CD2 3.83Å; Y25-H481 AromaticContact CZ-NE2 3.2Å
26G97.5Very high98.1Very high42 Ų4225.8 Ų25.843%0.43313%0.134SC..THydrogen-bonded Turntrans76.114.8179.800000115C22 L23C22-G26 PolarHBondContact O-N 2.92Å; C22-G26 VanDerWaalsContact O-N 3.15Å; L23-G26 PolarHBondContact O-N 3.39Å
27F98.4Very high98Very high21 Ų2127.9 Ų27.99%0.09215%0.146CC..  trans-74.5168.4174.3-57.6-19.8000111.5M4 V6 C22 Y25 P29 C392 L395 A396M4-F27 HydrophobicContact CB-CB 4.35Å; M4-F27 HydrophobicContact CB-CD1 3.55Å; M4-F27 HydrophobicContact CB-CE1 3.94Å; M4-F27 HydrophobicContact CB-CG 3.99Å; M4-F27 HydrophobicContact CG-CD1 4.13Å; M4-F27 HydrophobicContact CG-CE1 4.26Å; M4-F27 HydrophobicContact CG-CG 4.26Å; M4-F27 WeakPolarHBondContact O-CB 3.38Å; V6-F27 HydrophobicContact CG2-CB 4.25Å; V6-F27 HydrophobicContact CG2-CD2 4.17Å; V6-F27 HydrophobicContact CG2-CG 4.49Å; C22-F27 HydrophobicContact CB-CB 4.05Å; C22-F27 HydrophobicContact CB-CD2 4.4Å; C22-F27 WeakPolarHBondContact O-CB 3.26Å; C22-F27 PolarHBondContact O-N 3.14Å; Y25-F27 VanDerWaalsContact C-N 3.32Å; Y25-F27 PolarHBondContact O-N 2.78Å; F27-P29 WeakPolarHBondContact O-CD 3.28Å; F27-C392 HydrophobicContact CD2-CB 4.48Å; F27-C392 HydrophobicContact CE2-CB 3.91Å; F27-L395 HydrophobicContact CD2-CD2 4.22Å; F27-L395 HydrophobicContact CE2-CB 4.07Å; F27-L395 HydrophobicContact CE2-CD2 3.77Å; F27-L395 HydrophobicContact CE2-CG 4.11Å; F27-L395 HydrophobicContact CZ-CB 4.22Å; F27-L395 HydrophobicContact CZ-CD2 4.33Å; F27-L395 HydrophobicContact CZ-CG 4.23Å; F27-A396 HydrophobicContact CE1-CB 4.36Å; F27-A396 HydrophobicContact CZ-CB 3.82Å
28E98.3Very high97.9Very high86 Ų8628.2 Ų28.240%0.40215%0.147SC..EExtended strand (participates in β ladder)trans-108.890.3176-173.7177.3168.300110K3 M4 R5 V6K3-E28 HydrophobicContact CB-CB 4.06Å; K3-E28 HydrophobicContact CD-CB 4.49Å; M4-E28 PolarHBondContact O-N 2.94Å; R5-E28 WeakPolarHBondContact CA-O 3.47Å; R5-E28 HydrophobicContact CG-CB 4.28Å; V6-E28 PolarHBondContact N-O 2.93Å
29P98.6Very high97.9Very high1 Ų128.2 Ų28.21%0.00615%0.147CC..EExtended strand (participates in β ladder)trans-79.2139.8178.430.3-33.6000112.1V6 I8 V19 C22 L23 F27 H104V6-P29 CarbonylContact O-C 3.49Å; V6-P29 WeakPolarHBondContact O-CA 3.27Å; I8-P29 HydrophobicContact CD1-CB 3.67Å; V19-P29 HydrophobicContact CG1-CB 4.33Å; V19-P29 HydrophobicContact CG1-CG 3.91Å; V19-P29 HydrophobicContact CG2-CB 4.43Å; C22-P29 HydrophobicContact CB-CB 3.81Å; C22-P29 HydrophobicContact CB-CG 3.88Å; L23-P29 HydrophobicContact CD2-CG 3.9Å; L23-P29 HydrophobicContact CG-CG 4.1Å; F27-P29 WeakPolarHBondContact O-CD 3.28Å; P29-H104 HydrophobicContact CG-CB 4.38Å; P29-H104 PolarHBondContact O-ND1 3.11Å
30I98.7Very high97.7Very high37 Ų3729.1 Ų29.119%0.1916%0.157CC..EExtended strand (participates in β ladder)trans-126110.8166.1-61158.4000107.6V6 A7 I8 F32 V106 M141V6-I30 PolarHBondContact O-N 3.38Å; A7-I30 CarbonylContact C-O 3.47Å; A7-I30 WeakPolarHBondContact CA-O 3.44Å; I8-I30 PolarHBondContact N-O 3.4Å; I30-F32 HydrophobicContact CB-CZ 4.49Å; I30-F32 HydrophobicContact CG2-CD1 4.5Å; I30-F32 HydrophobicContact CG2-CE1 3.83Å; I30-F32 HydrophobicContact CG2-CE2 3.92Å; I30-F32 HydrophobicContact CG2-CZ 3.51Å; I30-V106 HydrophobicContact CG2-CG2 3.99Å; I30-M141 HydrophobicContact CD1-CE 3.45Å; I30-M141 VanDerWaalsContact CD1-CE 3.45Å; I30-M141 HydrophobicContact CD1-SD 4.13Å
31C98.9Very high97.6Very high0 Ų031.3 Ų31.30%017%0.169CC..EExtended strand (participates in β ladder)trans-99.2117.8-177.6-177.60000110.5I8 V19 H104 I105 V106I8-C31 HydrophobicContact CB-CB 4.06Å; I8-C31 HydrophobicContact CG2-CB 4.34Å; I8-C31 CarbonylContact O-C 3.52Å; I8-C31 VanDerWaalsContact O-CA 3.29Å; I8-C31 WeakPolarHBondContact O-CA 3.44Å; V19-C31 HydrophobicContact CG2-CB 3.64Å; C31-H104 WeakPolarHBondContact CB-O 3.44Å; C31-H104 PolarHBondContact N-O 3.15Å; C31-I105 HydrophobicContact CB-CG1 4.05Å; C31-I105 CarbonylContact O-C 3.58Å; C31-I105 VanDerWaalsContact O-CA 3.3Å; C31-I105 WeakPolarHBondContact O-CA 3.15Å; C31-V106 PolarHBondContact O-N 2.76Å
32F98.7Very high97.5Very high14 Ų1432.8 Ų32.86%0.06117%0.174CC..EExtended strand (participates in β ladder)trans-92.4124.6176.9-60.8-72.1000110.2A7 I8 I9 G10 I30 V106 T109 V111 V128 T130 M141A7-F32 HydrophobicContact CB-CE2 4.11Å; I8-F32 PolarHBondContact O-N 2.79Å; I9-F32 HydrophobicContact CD1-CD2 4.11Å; G10-F32 WeakPolarHBondContact CA-O 3.23Å; G10-F32 PolarHBondContact N-O 2.99Å; I30-F32 HydrophobicContact CB-CZ 4.49Å; I30-F32 HydrophobicContact CG2-CD1 4.5Å; I30-F32 HydrophobicContact CG2-CE1 3.83Å; I30-F32 HydrophobicContact CG2-CE2 3.92Å; I30-F32 HydrophobicContact CG2-CZ 3.51Å; F32-V106 HydrophobicContact CD1-CB 4.11Å; F32-V106 HydrophobicContact CD1-CG2 4.43Å; F32-V106 HydrophobicContact CE1-CB 4.4Å; F32-V106 HydrophobicContact CE1-CG2 4.32Å; F32-T109 HydrophobicContact CD1-CG2 3.62Å; F32-T109 HydrophobicContact CE1-CG2 4.23Å; F32-T109 HydrophobicContact CG-CG2 4.48Å; F32-V111 HydrophobicContact CB-CG2 3.66Å; F32-V111 HydrophobicContact CD2-CG2 3.91Å; F32-V111 HydrophobicContact CG-CG2 3.91Å; F32-V128 HydrophobicContact CD2-CG1 4.45Å; F32-V128 HydrophobicContact CE2-CG1 4.09Å; F32-T130 HydrophobicContact CD1-CG2 3.98Å; F32-T130 HydrophobicContact CD2-CG2 4.41Å; F32-T130 HydrophobicContact CE1-CG2 3.83Å; F32-T130 HydrophobicContact CE2-CG2 4.28Å; F32-T130 HydrophobicContact CG-CG2 4.26Å; F32-T130 HydrophobicContact CZ-CG2 3.97Å; F32-M141 HydrophobicContact CE2-SD 4.26Å; F32-M141 HydrophobicContact CZ-SD 3.73Å
33E98.1Very high97.4Very high12 Ų1233.9 Ų33.96%0.05618%0.181CC..EExtended strand (participates in β ladder)trans-124.7120.5175.817552-118.800109.7A11 G35 I105 V106 F107 N108 T109A11-E33 WeakPolarHBondContact CA-OE2 3.41Å; A11-E33 HydrophobicContact CB-CB 3.68Å; A11-E33 HydrophobicContact CB-CG 3.88Å; A11-E33 PolarHBondContact N-OE2 2.96Å; E33-G35 PolarHBondContact O-N 3.36Å; E33-G35 WeakPolarHBondContact OE1-CA 3.39Å; E33-G35 PolarHBondContact OE1-N 3.31Å; E33-I105 HydrophobicContact CB-CG2 4.03Å; E33-V106 PolarHBondContact N-O 2.9Å; E33-F107 HydrophobicContact CB-CD1 4Å; E33-F107 HydrophobicContact CB-CE1 4.39Å; E33-F107 HydrophobicContact CG-CD1 3.88Å; E33-F107 HydrophobicContact CG-CE1 4.2Å; E33-F107 CarbonylContact O-C 3.56Å; E33-F107 VanDerWaalsContact O-C 3.29Å; E33-F107 WeakPolarHBondContact O-CA 3.15Å; E33-N108 PolarHBondContact O-N 3.33Å; E33-T109 CarbonylContact C-O 3.57Å; E33-T109 VanDerWaalsContact C-O 3.27Å; E33-T109 PolarHBondContact O-N 2.91Å
34R95.9Very high97.3Very high74 Ų7433.5 Ų33.528%0.27918%0.176SC..SBendtrans-65.1-27.1176.660.7-173.5-77-167-1.5112.8E50 G51 R52 T109 L133R34-E50 PolarHBondContact NH2-O 3.49Å; R34-G51 PolarHBondContact NH1-O 3.35Å; R34-R52 VanDerWaalsContact NE-CG 3.33Å; R34-T109 WeakPolarHBondContact CA-O 3.27Å; R34-T109 PolarHBondContact N-O 3.2Å; R34-L133 HydrophobicContact CB-CD1 4.13Å; R34-L133 WeakPolarHBondContact O-CD1 3.29Å
35G94.7Very high97.1Very high0 Ų032.9 Ų32.90%017%0.173CC..SBendtrans-78.4175.4173.100000114.1E33 R52 F107 N108E33-G35 PolarHBondContact O-N 3.36Å; E33-G35 WeakPolarHBondContact OE1-CA 3.39Å; E33-G35 PolarHBondContact OE1-N 3.31Å; G35-R52 VanDerWaalsContact CA-NH2 3.33Å; G35-F107 WeakPolarHBondContact O-CB 2.9Å; G35-N108 PolarHBondContact O-N 3.09Å
36D95.5Very high96.9Very high103 Ų10337.3 Ų37.355%0.55120%0.195SC*.SBendtrans-98.8-2.9176.461.1-25.2000114N108D36-N108 WeakPolarHBondContact CA-ND2 3.47Å
37D97Very high96.7Very high44 Ų4442 Ų4224%0.23521%0.206CC..SBendtrans-140.1164.4174.8-1604000110.4R93 F107D37-R93 IonicContact OD2-CZ 2.66Å; D37-R93 IonicContact OD2-NE 3.37Å; D37-R93 IonicContact OD2-NH2 2.84Å; D37-R93 PolarHBondContact OD2-NH2 3.28Å; D37-F107 VanDerWaalsContact C-CE1 3.49Å
38I98.2Very high96.4Very high6 Ų644.5 Ų44.53%0.03122%0.222CC..SBendtrans-75175.7176.463.9173.7000111.9A11 L16 C43 M89 F92 R93 V96 I105 F107A11-I38 HydrophobicContact CB-CG2 4.49Å; L16-I38 HydrophobicContact CD1-CD1 4.29Å; L16-I38 HydrophobicContact CD2-CB 4.22Å; L16-I38 HydrophobicContact CD2-CG2 4.12Å; I38-C43 VanDerWaalsContact O-CB 3.31Å; I38-C43 WeakPolarHBondContact O-CB 3.34Å; I38-M89 HydrophobicContact CG1-CE 4.18Å; I38-M89 VanDerWaalsContact O-CE 3.28Å; I38-M89 WeakPolarHBondContact O-CE 3.43Å; I38-F92 HydrophobicContact CD1-CB 4.23Å; I38-R93 HydrophobicContact CD1-CG 4.04Å; I38-V96 HydrophobicContact CD1-CB 4.2Å; I38-V96 HydrophobicContact CD1-CG2 3.65Å; I38-I105 HydrophobicContact CG2-CD1 3.64Å; I38-F107 HydrophobicContact CG2-CE1 3.83Å; I38-F107 HydrophobicContact CG2-CZ 3.64Å
39G97.1Very high96.1Very high0 Ų042.9 Ų42.90%022%0.216CC..  trans101.6-12.2165.700000114.5A11 L41 W42A11-G39 PolarHBondContact O-N 3.24Å; G39-L41 PolarHBondContact O-N 2.97Å; G39-W42 PolarHBondContact O-N 2.97Å
40G95.8Very high95.5Very high20 Ų2051.5 Ų51.521%0.20626%0.256CS..G310 helixtrans53.6-123.5176.500000111.2W42 C43G40-W42 PolarHBondContact O-N 3.08Å; G40-C43 WeakPolarHBondContact O-CB 3.22Å; G40-C43 PolarHBondContact O-N 2.86Å
41L96Very high94.9Very high54 Ų5451 Ų5128%0.28326%0.26SS..G310 helixtrans-48.4-37.2177.4178.666.2000113.5G39 C43 S54 V55 H153G39-L41 PolarHBondContact O-N 2.97Å; L41-C43 VanDerWaalsContact C-N 3.32Å; L41-C43 PolarHBondContact O-N 3.1Å; L41-S54 CarbonylContact O-C 3.59Å; L41-S54 WeakPolarHBondContact O-CA 3.42Å; L41-V55 HydrophobicContact CG-CG1 4.18Å; L41-V55 WeakPolarHBondContact O-CG1 3.39Å; L41-V55 PolarHBondContact O-N 3.06Å; L41-H153 HydrophobicContact CD1-CB 4.2Å
42W97.3Very high94.4Very high31 Ų3153.1 Ų53.112%0.11727%0.268CS..G310 helixtrans-81.4-10.5-174.5-68.195.8000114.1G39 G40 Y44 V55 T59 I61 N85 L88 M89 F92 M381G39-W42 PolarHBondContact O-N 2.97Å; G40-W42 PolarHBondContact O-N 3.08Å; W42-Y44 PolarHBondContact O-N 2.88Å; W42-Y44 VanDerWaalsContact O-N 3.15Å; W42-V55 HydrophobicContact CD2-CG1 4.11Å; W42-V55 HydrophobicContact CE3-CG1 3.76Å; W42-V55 HydrophobicContact CZ3-CG1 4.1Å; W42-T59 HydrophobicContact CH2-CG2 4.49Å; W42-T59 HydrophobicContact CZ3-CG2 4.09Å; W42-I61 HydrophobicContact CH2-CB 3.57Å; W42-I61 HydrophobicContact CH2-CD1 4.09Å; W42-I61 HydrophobicContact CH2-CG1 3.58Å; W42-I61 HydrophobicContact CZ2-CB 4.34Å; W42-I61 HydrophobicContact CZ2-CD1 4Å; W42-I61 HydrophobicContact CZ2-CG1 3.87Å; W42-I61 HydrophobicContact CZ3-CB 4.07Å; W42-I61 HydrophobicContact CZ3-CG1 4.5Å; W42-N85 HydrophobicContact CE3-CB 4.13Å; W42-L88 HydrophobicContact CB-CD2 4.34Å; W42-L88 HydrophobicContact CD2-CD2 3.26Å; W42-L88 HydrophobicContact CE3-CD2 3.36Å; W42-L88 HydrophobicContact CG-CD2 3.71Å; W42-L88 HydrophobicContact CH2-CD2 4.17Å; W42-L88 HydrophobicContact CZ2-CD2 4.08Å; W42-L88 HydrophobicContact CZ3-CD2 3.82Å; W42-M89 HydrophobicContact CB-SD 4.37Å; W42-M89 WeakPolarHBondContact O-CG 3.34Å; W42-F92 HydrophobicContact CB-CE2 3.95Å; W42-F92 HydrophobicContact CG-CE2 4.13Å; W42-M381 HydrophobicContact CZ2-CE 3.78Å; W42-M381 VanDerWaalsContact NE1-CE 3.25Å
43C96.5Very high94Very high22 Ų2253.3 Ų53.315%0.14927%0.274CS..SBendtrans-79.394.5171-173.10000109.1I38 G40 L41 N45 M89I38-C43 VanDerWaalsContact O-CB 3.31Å; I38-C43 WeakPolarHBondContact O-CB 3.34Å; G40-C43 WeakPolarHBondContact O-CB 3.22Å; G40-C43 PolarHBondContact O-N 2.86Å; L41-C43 VanDerWaalsContact C-N 3.32Å; L41-C43 PolarHBondContact O-N 3.1Å; C43-N45 PolarHBondContact O-N 2.62Å; C43-M89 HydrophobicContact CB-CE 4.19Å; C43-M89 HydrophobicContact CB-SD 4.25Å
44Y96.7Very high93.9Very high50 Ų5053.4 Ų53.420%0.19628%0.276CS..  trans-56.1126.3176.2173.7-97.5000110.8W42 E46 V55 R57 R179W42-Y44 PolarHBondContact O-N 2.88Å; W42-Y44 VanDerWaalsContact O-N 3.15Å; Y44-E46 HydrophobicContact CE1-CB 4.21Å; Y44-V55 WeakPolarHBondContact CD2-O 3.21Å; Y44-R57 HydrophobicContact CD2-CB 4.26Å; Y44-R57 VanDerWaalsContact CE2-CA 3.43Å; Y44-R57 HydrophobicContact CE2-CB 3.6Å; Y44-R57 HydrophobicContact CE2-CG 4.42Å; Y44-R57 VanDerWaalsContact CE2-N 3.28Å; Y44-R57 PolarHBondContact OH-NE 3.38Å; Y44-R57 PolarHBondContact OH-NH2 3.35Å; Y44-R179 HydrophobicContact CE2-CB 4.34Å
45N93.7Very high93.9Very high42 Ų4250.4 Ų50.423%0.22527%0.266CS..  trans-122.9130.4169.8-167.4-31.3000109.5C43 Q47 I49 S54 R179C43-N45 PolarHBondContact O-N 2.62Å; N45-Q47 VanDerWaalsContact C-N 3.33Å; N45-Q47 PolarHBondContact OD1-N 2.78Å; N45-I49 WeakPolarHBondContact ND2-CD1 3.33Å; N45-S54 PolarHBondContact N-OG 3.47Å; N45-R179 WeakPolarHBondContact O-CD 3.45Å; N45-R179 PolarHBondContact O-NE 2.92Å
46E93.4Very high94Very high124 Ų12450.9 Ų50.958%0.57927%0.268SS*.SBendtrans-69.4-31.3178.3-175.4151.4-12700112.6Y44 R57Y44-E46 HydrophobicContact CE1-CB 4.21Å; E46-R57 IonicContact OE1-NH2 3.53Å; E46-R57 PolarHBondContact OE1-NH2 3.48Å; E46-R57 IonicContact OE2-NH2 2.83Å
47Q93.7Very high94.1Very high142 Ų14251.4 Ų51.466%0.66426%0.263SS*.SBendtrans-81.4140174.8-65.4-179.6-10.500110.7N45N45-Q47 VanDerWaalsContact C-N 3.33Å; N45-Q47 PolarHBondContact OD1-N 2.78Å
48V91.9Very high94.1Very high72 Ų7251.6 Ų51.644%0.43627%0.267SS..  trans-82.5117.6171.2-177.10000107.6S177V48-S177 WeakPolarHBondContact CG2-O 3.22Å
49I91Very high94Very high52 Ų5252 Ų5227%0.26727%0.27SS..  trans-115.4120.8178.4-56.7170.1000107.1N45 G51 R52N45-I49 WeakPolarHBondContact ND2-CD1 3.33Å; I49-G51 PolarHBondContact O-N 3.35Å; I49-R52 HydrophobicContact CB-CB 4.15Å; I49-R52 HydrophobicContact CB-CG 4.06Å; I49-R52 HydrophobicContact CG2-CB 4.42Å; I49-R52 HydrophobicContact CG2-CG 3.82Å; I49-R52 PolarHBondContact O-N 2.81Å
50E86.5Confident94.1Very high183 Ų18353.6 Ų53.686%0.85528%0.28SS*.THydrogen-bonded Turntrans-56.4136.7-177.6-170.8170.7-174.400111.5R34 R52R34-E50 PolarHBondContact NH2-O 3.49Å; E50-R52 PolarHBondContact O-N 3.47Å
51G85.9Confident94.1Very high26 Ų2652.9 Ų52.927%0.26827%0.271SS..THydrogen-bonded Turntrans74.6-7.7-175.600000115.2R34 I49 G154R34-G51 PolarHBondContact NH1-O 3.35Å; I49-G51 PolarHBondContact O-N 3.35Å; G51-G154 CarbonylContact C-O 3.52Å; G51-G154 VanDerWaalsContact CA-O 3.32Å; G51-G154 WeakPolarHBondContact CA-O 3.29Å; G51-G154 WeakPolarHBondContact O-CA 3.4Å
52R89.5Confident94.2Very high44 Ų4452 Ų5217%0.16627%0.266CS..  trans-99.3111.6177.1-62.4-171.365.7-169.6-6.1111.4R34 G35 I49 E50 S54 H176R34-R52 VanDerWaalsContact NE-CG 3.33Å; G35-R52 VanDerWaalsContact CA-NH2 3.33Å; I49-R52 HydrophobicContact CB-CB 4.15Å; I49-R52 HydrophobicContact CB-CG 4.06Å; I49-R52 HydrophobicContact CG2-CB 4.42Å; I49-R52 HydrophobicContact CG2-CG 3.82Å; I49-R52 PolarHBondContact O-N 2.81Å; E50-R52 PolarHBondContact O-N 3.47Å; R52-S54 PolarHBondContact O-N 3.34Å; R52-H176 VanDerWaalsContact C-CE1 3.45Å; R52-H176 PolarHBondContact O-CE1 3.24Å
53G90.3Very high94.2Very high18 Ų1851 Ų5119%0.18626%0.264CS..  trans-61136.9165.700000110.9H153G53-H153 VanDerWaalsContact CA-O 3.32Å; G53-H153 WeakPolarHBondContact CA-O 3.39Å
54S95.2Very high94.3Very high15 Ų1550 Ų5011%0.10526%0.257CS..  trans-139.6141.6168.9175.80000108.6L41 N45 R52L41-S54 CarbonylContact O-C 3.59Å; L41-S54 WeakPolarHBondContact O-CA 3.42Å; N45-S54 PolarHBondContact N-OG 3.47Å; R52-S54 PolarHBondContact O-N 3.34Å
55V96.6Very high94.4Very high11 Ų1147.6 Ų47.67%0.06725%0.248CC..  trans-61.9164.5162.5-71.20000111L41 W42 Y44 T59 N85L41-V55 HydrophobicContact CG-CG1 4.18Å; L41-V55 WeakPolarHBondContact O-CG1 3.39Å; L41-V55 PolarHBondContact O-N 3.06Å; W42-V55 HydrophobicContact CD2-CG1 4.11Å; W42-V55 HydrophobicContact CE3-CG1 3.76Å; W42-V55 HydrophobicContact CZ3-CG1 4.1Å; Y44-V55 WeakPolarHBondContact CD2-O 3.21Å; V55-T59 HydrophobicContact CB-CG2 4.04Å; V55-T59 HydrophobicContact CG1-CG2 3.84Å; V55-N85 HydrophobicContact CG2-CB 3.84Å
56M96.6Very high94.6Very high10 Ų1045.6 Ų45.65%0.04924%0.237CC..  trans-82.9161.5170.8-51.4165.6-162.800109.1S58 T59 N85 Y178 D200 I201M56-S58 PolarHBondContact O-N 2.76Å; M56-S58 VanDerWaalsContact O-N 3.16Å; M56-T59 WeakPolarHBondContact CA-OG1 3.29Å; M56-T59 WeakPolarHBondContact CB-OG1 3.28Å; M56-T59 PolarHBondContact N-OG1 3.32Å; M56-T59 WeakPolarHBondContact O-CB 3.23Å; M56-T59 PolarHBondContact O-N 3.46Å; M56-T59 VanDerWaalsContact O-N 3.1Å; M56-T59 PolarHBondContact O-OG1 2.82Å; M56-N85 PolarHBondContact O-ND2 3.25Å; M56-Y178 HydrophobicContact CB-CD1 4.45Å; M56-Y178 HydrophobicContact CE-CD1 4.35Å; M56-Y178 HydrophobicContact CG-CD1 3.82Å; M56-Y178 HydrophobicContact CG-CE1 4.27Å; M56-Y178 HydrophobicContact SD-CD1 3.63Å; M56-Y178 HydrophobicContact SD-CE1 3.88Å; M56-D200 HydrophobicContact SD-CB 4.1Å; M56-I201 HydrophobicContact CE-CD1 3.5Å; M56-I201 VanDerWaalsContact CE-CD1 3.5Å; M56-I201 HydrophobicContact CE-CG1 3.44Å; M56-I201 VanDerWaalsContact CE-CG1 3.44Å; M56-I201 HydrophobicContact SD-CD1 4.17Å; M56-I201 HydrophobicContact SD-CG1 3.52Å; M56-I201 VanDerWaalsContact SD-CG1 3.52Å
57R97.2Very high94.8Very high114 Ų11439.8 Ų39.843%0.4321%0.21SC..THydrogen-bonded Turntrans-57.2-37.3-175.6-175.5177.8-74.4-91.67.7112.3Y44 E46 H84 N85 R179 T180Y44-R57 HydrophobicContact CD2-CB 4.26Å; Y44-R57 VanDerWaalsContact CE2-CA 3.43Å; Y44-R57 HydrophobicContact CE2-CB 3.6Å; Y44-R57 HydrophobicContact CE2-CG 4.42Å; Y44-R57 VanDerWaalsContact CE2-N 3.28Å; Y44-R57 PolarHBondContact OH-NE 3.38Å; Y44-R57 PolarHBondContact OH-NH2 3.35Å; E46-R57 IonicContact OE1-NH2 3.53Å; E46-R57 PolarHBondContact OE1-NH2 3.48Å; E46-R57 IonicContact OE2-NH2 2.83Å; R57-H84 PolarHBondContact O-CE1 3.1Å; R57-H84 VanDerWaalsContact O-CE1 3.26Å; R57-H84 PolarHBondContact O-NE2 2.89Å; R57-N85 PolarHBondContact O-ND2 2.74Å; R57-R179 WeakPolarHBondContact CB-O 3.35Å; R57-R179 PolarHBondContact N-O 3.03Å; R57-T180 HydrophobicContact CB-CG2 3.93Å
58S96.4Very high95Very high48 Ų4833 Ų3334%0.33618%0.179SC..THydrogen-bonded Turntrans-92.2-2.7-176.852.80000114.5M56 T60 E204M56-S58 PolarHBondContact O-N 2.76Å; M56-S58 VanDerWaalsContact O-N 3.16Å; S58-T60 PolarHBondContact O-N 2.97Å; S58-E204 WeakPolarHBondContact CB-OE1 3.42Å; S58-E204 VanDerWaalsContact OG-CD 3.31Å; S58-E204 PolarHBondContact OG-OE1 2.8Å
59T97.7Very high95.4Very high15 Ų1529.7 Ų29.79%0.09216%0.158CC..  trans-58.7126.4-173.6-62.60000111.1W42 V55 M56 N85W42-T59 HydrophobicContact CH2-CG2 4.49Å; W42-T59 HydrophobicContact CZ3-CG2 4.09Å; V55-T59 HydrophobicContact CB-CG2 4.04Å; V55-T59 HydrophobicContact CG1-CG2 3.84Å; M56-T59 WeakPolarHBondContact CA-OG1 3.29Å; M56-T59 WeakPolarHBondContact CB-OG1 3.28Å; M56-T59 PolarHBondContact N-OG1 3.32Å; M56-T59 WeakPolarHBondContact O-CB 3.23Å; M56-T59 PolarHBondContact O-N 3.46Å; M56-T59 VanDerWaalsContact O-N 3.1Å; M56-T59 PolarHBondContact O-OG1 2.82Å; T59-N85 PolarHBondContact O-N 2.82Å; T59-N85 PolarHBondContact O-ND2 3.41Å
60T97.8Very high95.7Very high33 Ų3327.2 Ų27.220%0.20215%0.146CC..BIsolated β-bridgetrans-115.4139.8171.4-60.70000108.6S58 F82 M83S58-T60 PolarHBondContact O-N 2.97Å; T60-F82 HydrophobicContact CG2-CB 3.85Å; T60-F82 WeakPolarHBondContact CG2-O 3.39Å; T60-M83 WeakPolarHBondContact CG2-O 3.35Å
61I97.3Very high96.3Very high5 Ų518.7 Ų18.73%0.02611%0.106CC..  trans-62.7143.9-178.8-164.7171.4000112.3W42 T63 T68 F82 M83 L88 M381W42-I61 HydrophobicContact CH2-CB 3.57Å; W42-I61 HydrophobicContact CH2-CD1 4.09Å; W42-I61 HydrophobicContact CH2-CG1 3.58Å; W42-I61 HydrophobicContact CZ2-CB 4.34Å; W42-I61 HydrophobicContact CZ2-CD1 4Å; W42-I61 HydrophobicContact CZ2-CG1 3.87Å; W42-I61 HydrophobicContact CZ3-CB 4.07Å; W42-I61 HydrophobicContact CZ3-CG1 4.5Å; I61-T63 WeakPolarHBondContact CG2-O 3.47Å; I61-T68 HydrophobicContact CD1-CG2 3.55Å; I61-F82 WeakPolarHBondContact O-CD1 3.27Å; I61-M83 HydrophobicContact CG2-CB 4.28Å; I61-M83 WeakPolarHBondContact CG2-O 3.21Å; I61-M83 PolarHBondContact N-O 2.9Å; I61-L88 HydrophobicContact CD1-CD2 4.21Å; I61-M381 HydrophobicContact CD1-CE 3.7Å; I61-M381 HydrophobicContact CD1-SD 4.34Å
62N97.1Very high96.9Very high34 Ų3418 Ų1818%0.18210%0.097CC..SBendtrans-81.9-14.5-178.2-78.7-24.5000114.2Y233 L285N62-Y233 WeakPolarHBondContact O-CE1 3.27Å; N62-L285 HydrophobicContact CB-CD1 3.99Å; N62-L285 HydrophobicContact CB-CD2 3.64Å; N62-L285 HydrophobicContact CB-CG 4.25Å; N62-L285 VanDerWaalsContact O-CD2 3.31Å; N62-L285 WeakPolarHBondContact O-CD2 3.36Å
63T97.8Very high97.3Very high11 Ų1117.9 Ų17.97%0.06710%0.097CC..SBendtrans-114.9144.7-178.946.80000110.8I61 T68 D234 S379I61-T63 WeakPolarHBondContact CG2-O 3.47Å; T63-T68 WeakPolarHBondContact CB-OG1 3.36Å; T63-T68 PolarHBondContact O-OG1 2.99Å; T63-T68 PolarHBondContact OG1-OG1 3.41Å; T63-D234 WeakPolarHBondContact CA-OD2 3.29Å; T63-S379 PolarHBondContact OG1-OG 3.12Å
64S98.2Very high97.7Very high1 Ų118.4 Ų18.41%0.00710%0.098CC..  trans-69.9154.4-174.465.40000112.9E66 M67 T68 N81 D234 V235S64-E66 VanDerWaalsContact C-N 3.29Å; S64-E66 PolarHBondContact O-N 3.3Å; S64-M67 CarbonylContact O-C 3.28Å; S64-M67 PolarHBondContact O-N 3.35Å; S64-M67 VanDerWaalsContact OG-CG 3.25Å; S64-M67 WeakPolarHBondContact OG-CG 3.46Å; S64-T68 WeakPolarHBondContact O-CB 3.17Å; S64-T68 PolarHBondContact O-N 2.92Å; S64-T68 PolarHBondContact O-OG1 2.77Å; S64-N81 CarbonylContact C-O 3.48Å; S64-N81 WeakPolarHBondContact CA-O 3.32Å; S64-D234 WeakPolarHBondContact CB-OD1 3.35Å; S64-D234 PolarHBondContact N-OD2 3.33Å; S64-D234 VanDerWaalsContact OG-CG 3.29Å; S64-D234 PolarHBondContact OG-OD1 3.46Å; S64-D234 PolarHBondContact OG-OD2 2.83Å; S64-V235 VanDerWaalsContact OG-CG1 3.26Å; S64-V235 WeakPolarHBondContact OG-CG1 3.21Å
65K98.2Very high97.8Very high0 Ų017.9 Ų17.90%09%0.094CC..Hα-helixtrans-57.3-38.2-171.676.3-173.3-175.7-142.60113.6T68 A69 P75 K77 A79 N81 M83 R496K65-T68 PolarHBondContact O-N 3.32Å; K65-A69 WeakPolarHBondContact O-CB 3.26Å; K65-A69 PolarHBondContact O-N 3.35Å; K65-P75 HydrophobicContact CB-CG 4.24Å; K65-K77 PolarHBondContact NZ-O 3.11Å; K65-A79 HydrophobicContact CD-CB 4.33Å; K65-A79 WeakPolarHBondContact CD-O 3.12Å; K65-A79 PolarHBondContact NZ-O 3.03Å; K65-N81 WeakPolarHBondContact CE-OD1 3.26Å; K65-N81 PolarHBondContact N-O 3.05Å; K65-N81 PolarHBondContact NZ-OD1 3.3Å; K65-M83 HydrophobicContact CB-CE 3.94Å; K65-M83 HydrophobicContact CB-SD 4.44Å; K65-R496 PolarHBondContact NZ-O 3.33Å
66E98.3Very high97.9Very high0 Ų023.2 Ų23.20%011%0.113CC..Hα-helixtrans-76-29.4-179.7-54.4-63.9137.400111.3S64 T471 P472 Y473 V493 R496 I497S64-E66 VanDerWaalsContact C-N 3.29Å; S64-E66 PolarHBondContact O-N 3.3Å; E66-T471 HydrophobicContact CB-CG2 4.36Å; E66-P472 WeakPolarHBondContact O-CD 3.18Å; E66-Y473 HydrophobicContact CB-CE2 4.48Å; E66-Y473 WeakPolarHBondContact OE2-CE2 3.42Å; E66-Y473 PolarHBondContact OE2-OH 2.71Å; E66-Y473 VanDerWaalsContact OE2-OH 3.09Å; E66-V493 HydrophobicContact CB-CG2 4.02Å; E66-V493 HydrophobicContact CG-CG2 4.04Å; E66-R496 VanDerWaalsContact CD-NE 3.34Å; E66-R496 IonicContact OE1-CZ 3.74Å; E66-R496 IonicContact OE1-NE 3.39Å; E66-R496 PolarHBondContact OE1-NE 3.22Å; E66-R496 IonicContact OE1-NH2 3.93Å; E66-R496 PolarHBondContact OE1-NH2 3Å; E66-R496 IonicContact OE2-CZ 3.85Å; E66-R496 IonicContact OE2-NE 2.74Å; E66-R496 PolarHBondContact OE2-NE 3.44Å; E66-R496 IonicContact OE2-NH2 3.97Å; E66-R496 PolarHBondContact OE2-NH2 2.7Å; E66-I497 HydrophobicContact CG-CG1 4.01Å
67M98.2Very high97.9Very high1 Ų127.9 Ų27.91%0.00513%0.132CC..Hα-helixtrans-82.6-20.3175.8-58.8-56.8-63.700112.6S64 D234 V235 L238 S379 P382 Y434 P469 C470 T471S64-M67 CarbonylContact O-C 3.28Å; S64-M67 PolarHBondContact O-N 3.35Å; S64-M67 VanDerWaalsContact OG-CG 3.25Å; S64-M67 WeakPolarHBondContact OG-CG 3.46Å; M67-D234 WeakPolarHBondContact CB-OD2 3.18Å; M67-D234 HydrophobicContact CG-CB 4.48Å; M67-V235 HydrophobicContact CG-CG1 3.77Å; M67-V235 HydrophobicContact SD-CG1 4.29Å; M67-L238 HydrophobicContact CE-CB 3.77Å; M67-L238 HydrophobicContact CE-CD1 3.93Å; M67-S379 VanDerWaalsContact O-CB 3.28Å; M67-S379 WeakPolarHBondContact O-CB 3.35Å; M67-P382 WeakPolarHBondContact O-CG 3.29Å; M67-Y434 HydrophobicContact CE-CE1 4.42Å; M67-P469 HydrophobicContact SD-CB 3.84Å; M67-C470 WeakPolarHBondContact CE-O 3.33Å; M67-T471 HydrophobicContact SD-CG2 4.15Å
68T98.4Very high97.9Very high1 Ų127.8 Ų27.81%0.00614%0.137CC..Hα-helixtrans-93-19.6177.9-67.20000113.7I61 T63 S64 K65 L88 S379 M381I61-T68 HydrophobicContact CD1-CG2 3.55Å; T63-T68 WeakPolarHBondContact CB-OG1 3.36Å; T63-T68 PolarHBondContact O-OG1 2.99Å; T63-T68 PolarHBondContact OG1-OG1 3.41Å; S64-T68 WeakPolarHBondContact O-CB 3.17Å; S64-T68 PolarHBondContact O-N 2.92Å; S64-T68 PolarHBondContact O-OG1 2.77Å; K65-T68 PolarHBondContact O-N 3.32Å; T68-L88 HydrophobicContact CG2-CD1 4.28Å; T68-S379 WeakPolarHBondContact CA-OG 3.37Å; T68-S379 PolarHBondContact OG1-OG 2.99Å; T68-M381 HydrophobicContact CG2-CB 4.32Å; T68-M381 HydrophobicContact CG2-CE 4.34Å; T68-M381 HydrophobicContact CG2-CG 4.08Å; T68-M381 HydrophobicContact CG2-SD 3.94Å; T68-M381 WeakPolarHBondContact O-CB 3.42Å
69A98.6Very high97.9Very high1 Ų125.9 Ų25.91%0.00812%0.124CC..SBendtrans-54.9147.1-17500000114K65 P75 P472 Y473K65-A69 WeakPolarHBondContact O-CB 3.26Å; K65-A69 PolarHBondContact O-N 3.35Å; A69-P75 VanDerWaalsContact CB-CD 3.46Å; A69-P75 HydrophobicContact CB-CG 4.18Å; A69-P472 WeakPolarHBondContact O-CB 3.02Å; A69-P472 WeakPolarHBondContact O-CG 3.28Å; A69-Y473 HydrophobicContact CB-CE1 3.58Å; A69-Y473 WeakPolarHBondContact CB-OH 3.14Å
70F98.7Very high97.9Very high0 Ų027.6 Ų27.60%014%0.14CC..BIsolated β-bridgetrans-64.9141.2157.9-54.6-50.4000109.6P13 T17 D72 F73 Y91 F92 Y95 M381 E385P13-F70 HydrophobicContact CB-CZ 4.26Å; T17-F70 HydrophobicContact CG2-CD1 3.3Å; T17-F70 HydrophobicContact CG2-CE1 3.19Å; T17-F70 HydrophobicContact CG2-CE2 4.44Å; T17-F70 HydrophobicContact CG2-CG 4.01Å; T17-F70 HydrophobicContact CG2-CZ 3.81Å; F70-D72 VanDerWaalsContact C-N 3.25Å; F70-D72 PolarHBondContact O-N 3.22Å; F70-F73 HydrophobicContact CB-CB 4.41Å; F70-F73 CarbonylContact O-C 3.59Å; F70-F73 PolarHBondContact O-N 3.41Å; F70-Y91 AromaticContact CD2-CE1 3.81Å; F70-Y91 HydrophobicContact CD2-CE1 3.81Å; F70-Y91 AromaticContact CD2-CZ 3.92Å; F70-Y91 WeakPolarHBondContact CD2-OH 3.25Å; F70-Y91 AromaticContact CE2-CE1 3.93Å; F70-Y91 HydrophobicContact CE2-CE1 3.93Å; F70-Y91 PolarHBondContact N-OH 3.21Å; F70-F92 AromaticContact CE2-CD1 3.88Å; F70-F92 HydrophobicContact CE2-CD1 3.88Å; F70-F92 HydrophobicContact CE2-CE1 4.03Å; F70-F92 HydrophobicContact CZ-CD1 4.06Å; F70-F92 AromaticContact CZ-CE1 3.82Å; F70-F92 HydrophobicContact CZ-CE1 3.82Å; F70-Y95 HydrophobicContact CB-CD2 4.34Å; F70-Y95 HydrophobicContact CB-CE2 3.88Å; F70-Y95 AromaticContact CD2-CD1 3.88Å; F70-Y95 HydrophobicContact CD2-CD1 3.88Å; F70-Y95 AromaticContact CD2-CD2 3.48Å; F70-Y95 HydrophobicContact CD2-CD2 3.48Å; F70-Y95 VanDerWaalsContact CD2-CD2 3.48Å; F70-Y95 AromaticContact CD2-CE1 4Å; F70-Y95 HydrophobicContact CD2-CE1 4Å; F70-Y95 AromaticContact CD2-CE2 3.61Å; F70-Y95 HydrophobicContact CD2-CE2 3.61Å; F70-Y95 AromaticContact CD2-CG 3.61Å; F70-Y95 HydrophobicContact CD2-CG 3.61Å; F70-Y95 AromaticContact CD2-CZ 3.87Å; F70-Y95 AromaticContact CE2-CD1 3.77Å; F70-Y95 HydrophobicContact CE2-CD1 3.77Å; F70-Y95 HydrophobicContact CE2-CD2 4.19Å; F70-Y95 HydrophobicContact CE2-CE1 4.05Å; F70-Y95 HydrophobicContact CE2-CE2 4.44Å; F70-Y95 AromaticContact CE2-CG 3.84Å; F70-Y95 HydrophobicContact CE2-CG 3.84Å; F70-Y95 HydrophobicContact CG-CD2 4.29Å; F70-Y95 AromaticContact CG-CE2 4Å; F70-Y95 HydrophobicContact CG-CE2 4Å; F70-M381 HydrophobicContact CE1-CB 4.07Å; F70-E385 WeakPolarHBondContact CA-OE2 3.06Å
71S98.5Very high97.9Very high4 Ų426.2 Ų26.23%0.02813%0.131CC..THydrogen-bonded Turntrans-67.9-19.1-161.967.70000115E385 P472 Y473 R476S71-E385 VanDerWaalsContact CB-OE2 3.24Å; S71-E385 WeakPolarHBondContact CB-OE2 3.31Å; S71-E385 PolarHBondContact N-OE2 2.79Å; S71-E385 PolarHBondContact OG-OE1 3.48Å; S71-E385 PolarHBondContact OG-OE2 2.94Å; S71-P472 VanDerWaalsContact CB-O 3.28Å; S71-P472 WeakPolarHBondContact CB-O 3.22Å; S71-Y473 WeakPolarHBondContact O-CD1 3.27Å; S71-R476 VanDerWaalsContact OG-CG 3.26Å; S71-R476 WeakPolarHBondContact OG-CG 3.46Å; S71-R476 PolarHBondContact OG-NE 3.05Å
72D98.3Very high97.9Very high13 Ų1327.1 Ų27.17%0.0714%0.135CC..THydrogen-bonded Turntrans-116.612.3174.961.3-1.6000113.3K20 F70 R476 W483K20-D72 WeakPolarHBondContact CE-OD2 3.11Å; K20-D72 IonicContact NZ-OD2 3.06Å; K20-D72 PolarHBondContact NZ-OD2 2.9Å; F70-D72 VanDerWaalsContact C-N 3.25Å; F70-D72 PolarHBondContact O-N 3.22Å; D72-R476 HydrophobicContact CB-CG 4.45Å; D72-R476 IonicContact OD2-CZ 3.7Å; D72-R476 IonicContact OD2-NH1 3.11Å; D72-R476 IonicContact OD2-NH2 3.63Å; D72-R476 PolarHBondContact OD2-NH2 2.77Å; D72-W483 HydrophobicContact CB-CB 4Å; D72-W483 HydrophobicContact CB-CD2 4.05Å; D72-W483 HydrophobicContact CB-CE3 4.44Å; D72-W483 HydrophobicContact CB-CG 3.84Å
73F98.4Very high98Very high40 Ų4025.6 Ų25.618%0.17513%0.127CC..BIsolated β-bridgetrans-14379.7-179.5-163.6-105.8000112.3F70 Y91 E94 Y95 A98 F99F70-F73 HydrophobicContact CB-CB 4.41Å; F70-F73 CarbonylContact O-C 3.59Å; F70-F73 PolarHBondContact O-N 3.41Å; F73-Y91 HydrophobicContact CD1-CD2 4.2Å; F73-Y91 AromaticContact CD1-CE2 3.42Å; F73-Y91 HydrophobicContact CD1-CE2 3.42Å; F73-Y91 VanDerWaalsContact CD1-CE2 3.42Å; F73-Y91 AromaticContact CD1-CZ 3.92Å; F73-Y91 HydrophobicContact CE1-CD2 4.12Å; F73-Y91 AromaticContact CE1-CE2 3.79Å; F73-Y91 HydrophobicContact CE1-CE2 3.79Å; F73-Y91 WeakPolarHBondContact O-CE2 3.45Å; F73-Y91 PolarHBondContact O-OH 3Å; F73-E94 HydrophobicContact CE1-CB 3.99Å; F73-E94 HydrophobicContact CZ-CB 3.95Å; F73-Y95 HydrophobicContact CB-CD2 3.64Å; F73-Y95 HydrophobicContact CB-CE2 3.94Å; F73-Y95 AromaticContact CD1-CD2 3.63Å; F73-Y95 HydrophobicContact CD1-CD2 3.63Å; F73-Y95 HydrophobicContact CD1-CG 4.23Å; F73-Y95 HydrophobicContact CD2-CD2 4.42Å; F73-Y95 HydrophobicContact CE1-CD2 4.39Å; F73-Y95 AromaticContact CG-CD2 3.65Å; F73-Y95 HydrophobicContact CG-CD2 3.65Å; F73-Y95 HydrophobicContact CG-CE2 4.41Å; F73-A98 HydrophobicContact CD2-CB 4.32Å; F73-A98 HydrophobicContact CE2-CB 3.56Å; F73-A98 HydrophobicContact CZ-CB 4.03Å; F73-F99 HydrophobicContact CB-CE2 4.04Å; F73-F99 AromaticContact CD2-CE2 3.78Å; F73-F99 HydrophobicContact CD2-CE2 3.78Å; F73-F99 HydrophobicContact CD2-CZ 4.26Å; F73-F99 HydrophobicContact CG-CE2 4.06Å
74P98.2Very high98Very high30 Ų3027.9 Ų27.920%0.19514%0.137CC..PPolyproline II helixtrans-62.5139.4176.6-20.532.1000112Y473 W483 A489P74-Y473 HydrophobicContact CB-CE1 4.09Å; P74-Y473 HydrophobicContact CG-CD1 4.33Å; P74-Y473 HydrophobicContact CG-CE1 3.81Å; P74-W483 VanDerWaalsContact CD-CH2 3.41Å; P74-W483 HydrophobicContact CG-CH2 3.52Å; P74-W483 HydrophobicContact CG-CZ3 3.9Å; P74-A489 HydrophobicContact CG-CB 4.24Å
75P98.1Very high98Very high3 Ų328.1 Ų28.12%0.01914%0.138CC..PPolyproline II helixtrans-57.6165170.2-23.131.4000112.1K65 A69 K77 M83 Y91 R496K65-P75 HydrophobicContact CB-CG 4.24Å; A69-P75 VanDerWaalsContact CB-CD 3.46Å; A69-P75 HydrophobicContact CB-CG 4.18Å; P75-K77 PolarHBondContact O-N 2.93Å; P75-M83 HydrophobicContact CG-CE 4.39Å; P75-Y91 HydrophobicContact CB-CD2 3.9Å; P75-Y91 HydrophobicContact CB-CE2 4.02Å; P75-Y91 HydrophobicContact CG-CD2 3.9Å; P75-Y91 HydrophobicContact CG-CE2 3.63Å; P75-Y91 HydrophobicContact CG-CG 4.47Å; P75-R496 PolarHBondContact O-NH2 3.2Å
76R97.8Very high98Very high124 Ų12432.2 Ų32.247%0.46816%0.163SC..PPolyproline II helixtrans-55.8136.3171.3-59.2-178.6-172.2-157.30.1110.1E78 A79 E94R76-E78 PolarHBondContact O-N 3.07Å; R76-A79 HydrophobicContact CB-CB 4.49Å; R76-A79 VanDerWaalsContact O-CB 3.29Å; R76-A79 WeakPolarHBondContact O-CB 3.34Å; R76-A79 PolarHBondContact O-N 2.59Å; R76-E94 IonicContact CZ-OE1 2.72Å; R76-E94 IonicContact NE-OE1 3.77Å; R76-E94 PolarHBondContact NE-OE1 3.27Å; R76-E94 IonicContact NE-OE2 2.75Å; R76-E94 PolarHBondContact NE-OE2 2.99Å; R76-E94 IonicContact NH2-OE1 2.65Å; R76-E94 PolarHBondContact NH2-OE1 3.43Å; R76-E94 IonicContact NH2-OE2 3.24Å
77K96.6Very high98Very high107 Ų10734.8 Ų34.847%0.46518%0.175SC..THydrogen-bonded Turntrans-63.3-29.1-176.764.2-179-178.5-176.50111.8K65 P75 A79 R496 C499K65-K77 PolarHBondContact NZ-O 3.11Å; P75-K77 PolarHBondContact O-N 2.93Å; K77-A79 VanDerWaalsContact C-N 3.33Å; K77-R496 HydrophobicContact CB-CG 4.33Å; K77-C499 HydrophobicContact CB-CB 4.45Å; K77-C499 WeakPolarHBondContact O-CB 3.34Å
78E96.2Very high98Very high113 Ų11334.8 Ų34.853%0.52818%0.175SC..THydrogen-bonded Turntrans-75-19178.1-59.675.7-163.600113.3R76R76-E78 PolarHBondContact O-N 3.07Å
79A97.2Very high98Very high8 Ų835.1 Ų35.17%0.06618%0.177CC..SBendtrans-59.6146.6178.900000110.5K65 R76 K77 M83 E87K65-A79 HydrophobicContact CD-CB 4.33Å; K65-A79 WeakPolarHBondContact CD-O 3.12Å; K65-A79 PolarHBondContact NZ-O 3.03Å; R76-A79 HydrophobicContact CB-CB 4.49Å; R76-A79 VanDerWaalsContact O-CB 3.29Å; R76-A79 WeakPolarHBondContact O-CB 3.34Å; R76-A79 PolarHBondContact O-N 2.59Å; K77-A79 VanDerWaalsContact C-N 3.33Å; A79-M83 HydrophobicContact CB-SD 4.31Å; A79-E87 HydrophobicContact CB-CG 4.48Å
80A97.4Very high98Very high50 Ų5038.3 Ų38.341%0.41319%0.19SC..  trans-56.7142.9176.400000110.4F82 M83A80-F82 PolarHBondContact O-N 3.49Å; A80-M83 WeakPolarHBondContact O-CG 3.03Å
81N98Very high98Very high4 Ų438.6 Ų38.62%0.02119%0.191CC..SBendtrans-60.7-34.9177.5-72.1-28.8000111.1S64 K65 P232 I497 Y501S64-N81 CarbonylContact C-O 3.48Å; S64-N81 WeakPolarHBondContact CA-O 3.32Å; K65-N81 WeakPolarHBondContact CE-OD1 3.26Å; K65-N81 PolarHBondContact N-O 3.05Å; K65-N81 PolarHBondContact NZ-OD1 3.3Å; N81-P232 HydrophobicContact CB-CG 4.15Å; N81-I497 PolarHBondContact ND2-O 3.13Å; N81-I497 PolarHBondContact OD1-O 3.12Å; N81-Y501 WeakPolarHBondContact ND2-CE2 3.35Å; N81-Y501 PolarHBondContact ND2-OH 3.41Å
82F98.2Very high98Very high24 Ų2438.4 Ų38.411%0.10519%0.19CC..SBendtrans-111.3103.6170.4-59.5-81.7000108.1T60 I61 A80 R225 P232T60-F82 HydrophobicContact CG2-CB 3.85Å; T60-F82 WeakPolarHBondContact CG2-O 3.39Å; I61-F82 WeakPolarHBondContact O-CD1 3.27Å; A80-F82 PolarHBondContact O-N 3.49Å; F82-R225 HydrophobicContact CD1-CB 4.15Å; F82-R225 HydrophobicContact CD1-CG 3.86Å; F82-R225 HydrophobicContact CD2-CB 4.01Å; F82-R225 HydrophobicContact CD2-CG 4.48Å; F82-R225 HydrophobicContact CE1-CB 3.82Å; F82-R225 HydrophobicContact CE1-CG 3.81Å; F82-R225 HydrophobicContact CE2-CB 3.7Å; F82-R225 HydrophobicContact CE2-CG 4.47Å; F82-R225 HydrophobicContact CG-CB 4.23Å; F82-R225 HydrophobicContact CG-CG 4.19Å; F82-R225 HydrophobicContact CZ-CB 3.6Å; F82-R225 HydrophobicContact CZ-CG 4.14Å; F82-R225 WeakPolarHBondContact CZ-O 3.41Å; F82-P232 HydrophobicContact CE2-CB 4.07Å; F82-P232 HydrophobicContact CE2-CG 4.07Å; F82-P232 HydrophobicContact CZ-CB 3.64Å; F82-P232 HydrophobicContact CZ-CG 4.13Å
83M98.2Very high98Very high2 Ų243.9 Ų43.91%0.0121%0.21CC..  trans-78127.5-175.3-67.3-177-73.800110.9T60 I61 K65 P75 A79 A80 E87 L88T60-M83 WeakPolarHBondContact CG2-O 3.35Å; I61-M83 HydrophobicContact CG2-CB 4.28Å; I61-M83 WeakPolarHBondContact CG2-O 3.21Å; I61-M83 PolarHBondContact N-O 2.9Å; K65-M83 HydrophobicContact CB-CE 3.94Å; K65-M83 HydrophobicContact CB-SD 4.44Å; P75-M83 HydrophobicContact CG-CE 4.39Å; A79-M83 HydrophobicContact CB-SD 4.31Å; A80-M83 WeakPolarHBondContact O-CG 3.03Å; M83-E87 HydrophobicContact CB-CB 4.2Å; M83-E87 HydrophobicContact CG-CB 4.44Å; M83-E87 HydrophobicContact CG-CG 4.2Å; M83-E87 HydrophobicContact SD-CG 4.28Å; M83-L88 HydrophobicContact CB-CB 4.27Å; M83-L88 HydrophobicContact CE-CD1 3.55Å
84H98.3Very high98Very high60 Ų6044 Ų4428%0.27821%0.211SC..BIsolated β-bridgetrans-57.5153.3164.2-176.8-100.3000109.7R57 T86 E87 L88R57-H84 PolarHBondContact O-CE1 3.1Å; R57-H84 VanDerWaalsContact O-CE1 3.26Å; R57-H84 PolarHBondContact O-NE2 2.89Å; H84-T86 PolarHBondContact ND1-N 3.4Å; H84-T86 PolarHBondContact ND1-OG1 3.37Å; H84-T86 PolarHBondContact O-N 3.11Å; H84-E87 PolarHBondContact O-N 2.74Å; H84-L88 PolarHBondContact O-N 3.06Å
85N97.8Very high98Very high5 Ų542.5 Ų42.53%0.02720%0.201CC..Hα-helixtrans-50.5-37.2-178.861.767.2000113.1W42 V55 M56 R57 T59 L88 M89W42-N85 HydrophobicContact CE3-CB 4.13Å; V55-N85 HydrophobicContact CG2-CB 3.84Å; M56-N85 PolarHBondContact O-ND2 3.25Å; R57-N85 PolarHBondContact O-ND2 2.74Å; T59-N85 PolarHBondContact O-N 2.82Å; T59-N85 PolarHBondContact O-ND2 3.41Å; N85-L88 PolarHBondContact O-N 3.22Å; N85-M89 WeakPolarHBondContact O-CB 3.42Å; N85-M89 WeakPolarHBondContact O-CG 3.32Å; N85-M89 PolarHBondContact O-N 3.09Å
86T98.1Very high98.1Very high87 Ų8742.9 Ų42.953%0.53420%0.203SC..Hα-helixtrans-65.3-40.3177560000113.6H84 M89 K90H84-T86 PolarHBondContact ND1-N 3.4Å; H84-T86 PolarHBondContact ND1-OG1 3.37Å; H84-T86 PolarHBondContact O-N 3.11Å; T86-M89 PolarHBondContact O-N 3.43Å; T86-K90 PolarHBondContact O-N 3.27Å
87E98.1Very high98.1Very high54 Ų5440.2 Ų40.225%0.25221%0.208SC..Hα-helixtrans-74.3-33.9177.6-167.866-163.800110.7A79 M83 H84 K90 Y91A79-E87 HydrophobicContact CB-CG 4.48Å; M83-E87 HydrophobicContact CB-CB 4.2Å; M83-E87 HydrophobicContact CG-CB 4.44Å; M83-E87 HydrophobicContact CG-CG 4.2Å; M83-E87 HydrophobicContact SD-CG 4.28Å; H84-E87 PolarHBondContact O-N 2.74Å; E87-K90 WeakPolarHBondContact O-CB 3.45Å; E87-K90 PolarHBondContact O-N 3.08Å; E87-K90 IonicContact OE1-NZ 3.07Å; E87-K90 PolarHBondContact OE1-NZ 3.32Å; E87-K90 IonicContact OE2-NZ 2.8Å; E87-Y91 PolarHBondContact O-N 3.31Å
88L98.3Very high98.2Very high0 Ų037.8 Ų37.80%021%0.208CC..Hα-helixtrans-66.2-41.2172.3-172.870.9000111.6W42 I61 T68 M83 H84 N85 K90 Y91 F92 M381W42-L88 HydrophobicContact CB-CD2 4.34Å; W42-L88 HydrophobicContact CD2-CD2 3.26Å; W42-L88 HydrophobicContact CE3-CD2 3.36Å; W42-L88 HydrophobicContact CG-CD2 3.71Å; W42-L88 HydrophobicContact CH2-CD2 4.17Å; W42-L88 HydrophobicContact CZ2-CD2 4.08Å; W42-L88 HydrophobicContact CZ3-CD2 3.82Å; I61-L88 HydrophobicContact CD1-CD2 4.21Å; T68-L88 HydrophobicContact CG2-CD1 4.28Å; M83-L88 HydrophobicContact CB-CB 4.27Å; M83-L88 HydrophobicContact CE-CD1 3.55Å; H84-L88 PolarHBondContact O-N 3.06Å; N85-L88 PolarHBondContact O-N 3.22Å; L88-K90 VanDerWaalsContact C-N 3.3Å; L88-K90 PolarHBondContact O-N 3.31Å; L88-Y91 HydrophobicContact CD1-CD1 4.25Å; L88-Y91 WeakPolarHBondContact O-CB 3.14Å; L88-Y91 PolarHBondContact O-N 2.67Å; L88-Y91 VanDerWaalsContact O-N 3.15Å; L88-F92 HydrophobicContact CD1-CE1 4.12Å; L88-F92 HydrophobicContact CD1-CZ 3.91Å; L88-F92 HydrophobicContact CD2-CE2 3.94Å; L88-F92 HydrophobicContact CD2-CZ 3.78Å; L88-F92 HydrophobicContact CG-CD2 4.48Å; L88-F92 HydrophobicContact CG-CE1 4.22Å; L88-F92 HydrophobicContact CG-CE2 3.78Å; L88-F92 HydrophobicContact CG-CZ 3.62Å; L88-F92 WeakPolarHBondContact O-CG 3.11Å; L88-F92 PolarHBondContact O-N 2.8Å; L88-M381 HydrophobicContact CD2-CE 4.23Å
89M98.5Very high98.3Very high9 Ų935.1 Ų35.14%0.04419%0.194CC..Hα-helixtrans-61.6-38.6173.7-82.5-59.8-65.100112.2I38 W42 C43 N85 T86 F92 R93I38-M89 HydrophobicContact CG1-CE 4.18Å; I38-M89 VanDerWaalsContact O-CE 3.28Å; I38-M89 WeakPolarHBondContact O-CE 3.43Å; W42-M89 HydrophobicContact CB-SD 4.37Å; W42-M89 WeakPolarHBondContact O-CG 3.34Å; C43-M89 HydrophobicContact CB-CE 4.19Å; C43-M89 HydrophobicContact CB-SD 4.25Å; N85-M89 WeakPolarHBondContact O-CB 3.42Å; N85-M89 WeakPolarHBondContact O-CG 3.32Å; N85-M89 PolarHBondContact O-N 3.09Å; T86-M89 PolarHBondContact O-N 3.43Å; M89-F92 PolarHBondContact O-N 2.82Å; M89-F92 HydrophobicContact SD-CD2 3.97Å; M89-R93 WeakPolarHBondContact O-CG 3.27Å; M89-R93 PolarHBondContact O-N 3.43Å
90K98.4Very high98.3Very high68 Ų6839.8 Ų39.830%0.29622%0.218SC..Hα-helixtrans-62-43.6172.4178.2-175.5164.9-157.50111.6T86 E87 L88 F92 R93 E94T86-K90 PolarHBondContact O-N 3.27Å; E87-K90 WeakPolarHBondContact O-CB 3.45Å; E87-K90 PolarHBondContact O-N 3.08Å; E87-K90 IonicContact OE1-NZ 3.07Å; E87-K90 PolarHBondContact OE1-NZ 3.32Å; E87-K90 IonicContact OE2-NZ 2.8Å; L88-K90 VanDerWaalsContact C-N 3.3Å; L88-K90 PolarHBondContact O-N 3.31Å; K90-F92 VanDerWaalsContact C-N 3.33Å; K90-F92 PolarHBondContact O-N 3.37Å; K90-R93 PolarHBondContact O-N 3.46Å; K90-E94 WeakPolarHBondContact CE-OE1 3.33Å; K90-E94 WeakPolarHBondContact CG-OE1 3.35Å; K90-E94 WeakPolarHBondContact O-CG 3.42Å; K90-E94 PolarHBondContact O-N 2.76Å
91Y98.7Very high98.4Very high6 Ų637.4 Ų37.42%0.02420%0.199CC..Hα-helixtrans-58.6-42.3173.2170.5-108.1000112.3F70 F73 P75 E87 L88 E94 Y95F70-Y91 AromaticContact CD2-CE1 3.81Å; F70-Y91 HydrophobicContact CD2-CE1 3.81Å; F70-Y91 AromaticContact CD2-CZ 3.92Å; F70-Y91 WeakPolarHBondContact CD2-OH 3.25Å; F70-Y91 AromaticContact CE2-CE1 3.93Å; F70-Y91 HydrophobicContact CE2-CE1 3.93Å; F70-Y91 PolarHBondContact N-OH 3.21Å; F73-Y91 HydrophobicContact CD1-CD2 4.2Å; F73-Y91 AromaticContact CD1-CE2 3.42Å; F73-Y91 HydrophobicContact CD1-CE2 3.42Å; F73-Y91 VanDerWaalsContact CD1-CE2 3.42Å; F73-Y91 AromaticContact CD1-CZ 3.92Å; F73-Y91 HydrophobicContact CE1-CD2 4.12Å; F73-Y91 AromaticContact CE1-CE2 3.79Å; F73-Y91 HydrophobicContact CE1-CE2 3.79Å; F73-Y91 WeakPolarHBondContact O-CE2 3.45Å; F73-Y91 PolarHBondContact O-OH 3Å; P75-Y91 HydrophobicContact CB-CD2 3.9Å; P75-Y91 HydrophobicContact CB-CE2 4.02Å; P75-Y91 HydrophobicContact CG-CD2 3.9Å; P75-Y91 HydrophobicContact CG-CE2 3.63Å; P75-Y91 HydrophobicContact CG-CG 4.47Å; E87-Y91 PolarHBondContact O-N 3.31Å; L88-Y91 HydrophobicContact CD1-CD1 4.25Å; L88-Y91 WeakPolarHBondContact O-CB 3.14Å; L88-Y91 PolarHBondContact O-N 2.67Å; L88-Y91 VanDerWaalsContact O-N 3.15Å; Y91-E94 PolarHBondContact O-N 3.39Å; Y91-Y95 PolarHBondContact O-N 2.79Å
92F98.7Very high98.4Very high0 Ų043.9 Ų43.90%023%0.227CC..Hα-helixtrans-64-40.5174.9-63.5-27.8000112.9P13 L16 I38 W42 F70 L88 M89 K90 E94 Y95 V96P13-F92 HydrophobicContact CB-CE1 4.37Å; P13-F92 HydrophobicContact CB-CZ 4.12Å; P13-F92 HydrophobicContact CG-CE1 4.22Å; P13-F92 HydrophobicContact CG-CE2 3.81Å; P13-F92 HydrophobicContact CG-CZ 3.5Å; L16-F92 HydrophobicContact CD1-CB 4.04Å; L16-F92 HydrophobicContact CD1-CG 4.27Å; I38-F92 HydrophobicContact CD1-CB 4.23Å; W42-F92 HydrophobicContact CB-CE2 3.95Å; W42-F92 HydrophobicContact CG-CE2 4.13Å; F70-F92 AromaticContact CE2-CD1 3.88Å; F70-F92 HydrophobicContact CE2-CD1 3.88Å; F70-F92 HydrophobicContact CE2-CE1 4.03Å; F70-F92 HydrophobicContact CZ-CD1 4.06Å; F70-F92 AromaticContact CZ-CE1 3.82Å; F70-F92 HydrophobicContact CZ-CE1 3.82Å; L88-F92 HydrophobicContact CD1-CE1 4.12Å; L88-F92 HydrophobicContact CD1-CZ 3.91Å; L88-F92 HydrophobicContact CD2-CE2 3.94Å; L88-F92 HydrophobicContact CD2-CZ 3.78Å; L88-F92 HydrophobicContact CG-CD2 4.48Å; L88-F92 HydrophobicContact CG-CE1 4.22Å; L88-F92 HydrophobicContact CG-CE2 3.78Å; L88-F92 HydrophobicContact CG-CZ 3.62Å; L88-F92 WeakPolarHBondContact O-CG 3.11Å; L88-F92 PolarHBondContact O-N 2.8Å; M89-F92 PolarHBondContact O-N 2.82Å; M89-F92 HydrophobicContact SD-CD2 3.97Å; K90-F92 VanDerWaalsContact C-N 3.33Å; K90-F92 PolarHBondContact O-N 3.37Å; F92-E94 VanDerWaalsContact C-N 3.33Å; F92-E94 PolarHBondContact O-N 3.12Å; F92-Y95 PolarHBondContact O-N 3.05Å; F92-V96 WeakPolarHBondContact O-CB 3.04Å; F92-V96 WeakPolarHBondContact O-CG2 3.2Å; F92-V96 PolarHBondContact O-N 3.25Å
93R98.7Very high98.4Very high127 Ų12749.6 Ų49.648%0.47925%0.254SS..Hα-helixtrans-64.2-38.9175.5-70.8175.2-177.7144.40.5112D37 I38 M89 K90 V96 A97D37-R93 IonicContact OD2-CZ 2.66Å; D37-R93 IonicContact OD2-NE 3.37Å; D37-R93 IonicContact OD2-NH2 2.84Å; D37-R93 PolarHBondContact OD2-NH2 3.28Å; I38-R93 HydrophobicContact CD1-CG 4.04Å; M89-R93 WeakPolarHBondContact O-CG 3.27Å; M89-R93 PolarHBondContact O-N 3.43Å; K90-R93 PolarHBondContact O-N 3.46Å; R93-V96 PolarHBondContact O-N 3.07Å; R93-A97 WeakPolarHBondContact O-CB 3.45Å; R93-A97 PolarHBondContact O-N 2.78Å
94E98.7Very high98.4Very high42 Ų4251.4 Ų51.420%0.19626%0.262CS..Hα-helixtrans-62.9-44.1173.9-72.7171-164.600111.7F73 R76 K90 Y91 F92 A97 A98F73-E94 HydrophobicContact CE1-CB 3.99Å; F73-E94 HydrophobicContact CZ-CB 3.95Å; R76-E94 IonicContact CZ-OE1 2.72Å; R76-E94 IonicContact NE-OE1 3.77Å; R76-E94 PolarHBondContact NE-OE1 3.27Å; R76-E94 IonicContact NE-OE2 2.75Å; R76-E94 PolarHBondContact NE-OE2 2.99Å; R76-E94 IonicContact NH2-OE1 2.65Å; R76-E94 PolarHBondContact NH2-OE1 3.43Å; R76-E94 IonicContact NH2-OE2 3.24Å; K90-E94 WeakPolarHBondContact CE-OE1 3.33Å; K90-E94 WeakPolarHBondContact CG-OE1 3.35Å; K90-E94 WeakPolarHBondContact O-CG 3.42Å; K90-E94 PolarHBondContact O-N 2.76Å; Y91-E94 PolarHBondContact O-N 3.39Å; F92-E94 VanDerWaalsContact C-N 3.33Å; F92-E94 PolarHBondContact O-N 3.12Å; E94-A97 PolarHBondContact O-N 2.84Å; E94-A98 VanDerWaalsContact O-CB 3.27Å; E94-A98 WeakPolarHBondContact O-CB 3.34Å; E94-A98 PolarHBondContact O-N 3.39Å
95Y98.8Very high98.5Very high0 Ų049.3 Ų49.30%025%0.253CS..Hα-helixtrans-62-47175-178.1-102.9000111.8L16 K20 F70 F73 Y91 F92 A97 A98 F99 I101L16-Y95 HydrophobicContact CB-CE1 4.42Å; K20-Y95 HydrophobicContact CB-CE1 4.22Å; K20-Y95 VanDerWaalsContact CB-OH 3.26Å; K20-Y95 WeakPolarHBondContact CB-OH 3.14Å; K20-Y95 WeakPolarHBondContact CD-OH 3.39Å; K20-Y95 HydrophobicContact CG-CE1 4.46Å; K20-Y95 WeakPolarHBondContact CG-OH 3.22Å; F70-Y95 HydrophobicContact CB-CD2 4.34Å; F70-Y95 HydrophobicContact CB-CE2 3.88Å; F70-Y95 AromaticContact CD2-CD1 3.88Å; F70-Y95 HydrophobicContact CD2-CD1 3.88Å; F70-Y95 AromaticContact CD2-CD2 3.48Å; F70-Y95 HydrophobicContact CD2-CD2 3.48Å; F70-Y95 VanDerWaalsContact CD2-CD2 3.48Å; F70-Y95 AromaticContact CD2-CE1 4Å; F70-Y95 HydrophobicContact CD2-CE1 4Å; F70-Y95 AromaticContact CD2-CE2 3.61Å; F70-Y95 HydrophobicContact CD2-CE2 3.61Å; F70-Y95 AromaticContact CD2-CG 3.61Å; F70-Y95 HydrophobicContact CD2-CG 3.61Å; F70-Y95 AromaticContact CD2-CZ 3.87Å; F70-Y95 AromaticContact CE2-CD1 3.77Å; F70-Y95 HydrophobicContact CE2-CD1 3.77Å; F70-Y95 HydrophobicContact CE2-CD2 4.19Å; F70-Y95 HydrophobicContact CE2-CE1 4.05Å; F70-Y95 HydrophobicContact CE2-CE2 4.44Å; F70-Y95 AromaticContact CE2-CG 3.84Å; F70-Y95 HydrophobicContact CE2-CG 3.84Å; F70-Y95 HydrophobicContact CG-CD2 4.29Å; F70-Y95 AromaticContact CG-CE2 4Å; F70-Y95 HydrophobicContact CG-CE2 4Å; F73-Y95 HydrophobicContact CB-CD2 3.64Å; F73-Y95 HydrophobicContact CB-CE2 3.94Å; F73-Y95 AromaticContact CD1-CD2 3.63Å; F73-Y95 HydrophobicContact CD1-CD2 3.63Å; F73-Y95 HydrophobicContact CD1-CG 4.23Å; F73-Y95 HydrophobicContact CD2-CD2 4.42Å; F73-Y95 HydrophobicContact CE1-CD2 4.39Å; F73-Y95 AromaticContact CG-CD2 3.65Å; F73-Y95 HydrophobicContact CG-CD2 3.65Å; F73-Y95 HydrophobicContact CG-CE2 4.41Å; Y91-Y95 PolarHBondContact O-N 2.79Å; F92-Y95 PolarHBondContact O-N 3.05Å; Y95-A97 VanDerWaalsContact C-N 3.33Å; Y95-A97 PolarHBondContact O-N 3.12Å; Y95-A98 PolarHBondContact O-N 3.05Å; Y95-F99 AromaticContact CD2-CD2 3.54Å; Y95-F99 HydrophobicContact CD2-CD2 3.54Å; Y95-F99 AromaticContact CD2-CE2 3.43Å; Y95-F99 HydrophobicContact CD2-CE2 3.43Å; Y95-F99 VanDerWaalsContact CD2-CE2 3.43Å; Y95-F99 HydrophobicContact CE1-CD2 4.44Å; Y95-F99 AromaticContact CE2-CD2 3.45Å; Y95-F99 HydrophobicContact CE2-CD2 3.45Å; Y95-F99 VanDerWaalsContact CE2-CD2 3.45Å; Y95-F99 AromaticContact CE2-CE2 3.29Å; Y95-F99 HydrophobicContact CE2-CE2 3.29Å; Y95-F99 HydrophobicContact CE2-CZ 4.35Å; Y95-F99 HydrophobicContact CG-CD2 4.11Å; Y95-F99 HydrophobicContact CG-CE2 4.4Å; Y95-F99 AromaticContact CZ-CD2 3.94Å; Y95-F99 WeakPolarHBondContact O-CD2 3.47Å; Y95-F99 PolarHBondContact O-N 2.83Å; Y95-F99 VanDerWaalsContact O-N 3.14Å; Y95-I101 HydrophobicContact CD1-CD1 3.56Å; Y95-I101 HydrophobicContact CE1-CD1 3.33Å
96V98.7Very high98.5Very high10 Ų1052 Ų526%0.06127%0.269CS..Hα-helixtrans-60.9-40.6178.7164.40000112.5L16 I38 F92 R93 N100 I101 K102L16-V96 HydrophobicContact CD1-CG2 3.96Å; L16-V96 HydrophobicContact CD2-CG2 3.69Å; L16-V96 HydrophobicContact CG-CG2 4.33Å; I38-V96 HydrophobicContact CD1-CB 4.2Å; I38-V96 HydrophobicContact CD1-CG2 3.65Å; F92-V96 WeakPolarHBondContact O-CB 3.04Å; F92-V96 WeakPolarHBondContact O-CG2 3.2Å; F92-V96 PolarHBondContact O-N 3.25Å; R93-V96 PolarHBondContact O-N 3.07Å; V96-N100 PolarHBondContact O-N 3.24Å; V96-N100 VanDerWaalsContact O-N 3.16Å; V96-I101 HydrophobicContact CB-CB 4.33Å; V96-I101 HydrophobicContact CG1-CB 4.13Å; V96-I101 HydrophobicContact CG2-CB 4.13Å; V96-I101 HydrophobicContact CG2-CD1 4.33Å; V96-I101 HydrophobicContact CG2-CG2 4.1Å; V96-I101 PolarHBondContact O-N 3.05Å; V96-K102 HydrophobicContact CG1-CB 3.7Å
97A98.6Very high98.5Very high68 Ų6849.7 Ų49.756%0.56225%0.252SS*.Hα-helixtrans-69.4-44.2175.400000111.9R93 E94 Y95 F99 N100R93-A97 WeakPolarHBondContact O-CB 3.45Å; R93-A97 PolarHBondContact O-N 2.78Å; E94-A97 PolarHBondContact O-N 2.84Å; Y95-A97 VanDerWaalsContact C-N 3.33Å; Y95-A97 PolarHBondContact O-N 3.12Å; A97-F99 VanDerWaalsContact C-N 3.25Å; A97-F99 PolarHBondContact O-N 3.22Å; A97-N100 PolarHBondContact O-N 2.88Å
98A98.4Very high98.5Very high56 Ų5648.3 Ų48.346%0.46325%0.246SC..Hα-helixtrans-62-32-177.400000113.4F73 E94 Y95F73-A98 HydrophobicContact CD2-CB 4.32Å; F73-A98 HydrophobicContact CE2-CB 3.56Å; F73-A98 HydrophobicContact CZ-CB 4.03Å; E94-A98 VanDerWaalsContact O-CB 3.27Å; E94-A98 WeakPolarHBondContact O-CB 3.34Å; E94-A98 PolarHBondContact O-N 3.39Å; Y95-A98 PolarHBondContact O-N 3.05Å
99F98.3Very high98.5Very high57 Ų5748.7 Ų48.725%0.2525%0.248CC..THydrogen-bonded Turntrans-111.914.3-177.6-61.8-70.9000114K20 F73 Y95 A97 I101K20-F99 HydrophobicContact CG-CB 3.96Å; K20-F99 HydrophobicContact CG-CD1 4.17Å; K20-F99 HydrophobicContact CG-CD2 4.18Å; K20-F99 HydrophobicContact CG-CG 3.84Å; F73-F99 HydrophobicContact CB-CE2 4.04Å; F73-F99 AromaticContact CD2-CE2 3.78Å; F73-F99 HydrophobicContact CD2-CE2 3.78Å; F73-F99 HydrophobicContact CD2-CZ 4.26Å; F73-F99 HydrophobicContact CG-CE2 4.06Å; Y95-F99 AromaticContact CD2-CD2 3.54Å; Y95-F99 HydrophobicContact CD2-CD2 3.54Å; Y95-F99 AromaticContact CD2-CE2 3.43Å; Y95-F99 HydrophobicContact CD2-CE2 3.43Å; Y95-F99 VanDerWaalsContact CD2-CE2 3.43Å; Y95-F99 HydrophobicContact CE1-CD2 4.44Å; Y95-F99 AromaticContact CE2-CD2 3.45Å; Y95-F99 HydrophobicContact CE2-CD2 3.45Å; Y95-F99 VanDerWaalsContact CE2-CD2 3.45Å; Y95-F99 AromaticContact CE2-CE2 3.29Å; Y95-F99 HydrophobicContact CE2-CE2 3.29Å; Y95-F99 HydrophobicContact CE2-CZ 4.35Å; Y95-F99 HydrophobicContact CG-CD2 4.11Å; Y95-F99 HydrophobicContact CG-CE2 4.4Å; Y95-F99 AromaticContact CZ-CD2 3.94Å; Y95-F99 WeakPolarHBondContact O-CD2 3.47Å; Y95-F99 PolarHBondContact O-N 2.83Å; Y95-F99 VanDerWaalsContact O-N 3.14Å; A97-F99 VanDerWaalsContact C-N 3.25Å; A97-F99 PolarHBondContact O-N 3.22Å; F99-I101 HydrophobicContact CB-CD1 4.03Å; F99-I101 HydrophobicContact CB-CG1 3.94Å; F99-I101 PolarHBondContact O-N 3.06Å; F99-I101 VanDerWaalsContact O-N 3.14Å
100N98Very high98.4Very high107 Ų10751.7 Ų51.757%0.57226%0.262SS*.THydrogen-bonded Turntrans50.736.5179.3-62.3-44.5000114.3V96 A97 K102 Q103V96-N100 PolarHBondContact O-N 3.24Å; V96-N100 VanDerWaalsContact O-N 3.16Å; A97-N100 PolarHBondContact O-N 2.88Å; N100-K102 VanDerWaalsContact C-N 3.35Å; N100-K102 PolarHBondContact O-N 2.65Å; N100-Q103 WeakPolarHBondContact O-CG 3.4Å
101I98.7Very high98.4Very high0 Ų048.9 Ų48.90%025%0.251CS..G310 helixtrans-70.1-33.8-173.8-68.6169.1000111.5L16 V19 K20 Y95 V96 F99 Q103 H104 I105L16-I101 HydrophobicContact CD2-CG2 4.07Å; V19-I101 HydrophobicContact CB-CG2 3.96Å; V19-I101 HydrophobicContact CG1-CB 4.3Å; V19-I101 HydrophobicContact CG1-CG1 4.28Å; V19-I101 HydrophobicContact CG1-CG2 3.81Å; V19-I101 HydrophobicContact CG2-CG2 4.37Å; K20-I101 HydrophobicContact CB-CD1 3.89Å; K20-I101 HydrophobicContact CB-CG1 4.34Å; K20-I101 HydrophobicContact CG-CD1 4.42Å; Y95-I101 HydrophobicContact CD1-CD1 3.56Å; Y95-I101 HydrophobicContact CE1-CD1 3.33Å; V96-I101 HydrophobicContact CB-CB 4.33Å; V96-I101 HydrophobicContact CG1-CB 4.13Å; V96-I101 HydrophobicContact CG2-CB 4.13Å; V96-I101 HydrophobicContact CG2-CD1 4.33Å; V96-I101 HydrophobicContact CG2-CG2 4.1Å; V96-I101 PolarHBondContact O-N 3.05Å; F99-I101 HydrophobicContact CB-CD1 4.03Å; F99-I101 HydrophobicContact CB-CG1 3.94Å; F99-I101 PolarHBondContact O-N 3.06Å; F99-I101 VanDerWaalsContact O-N 3.14Å; I101-Q103 PolarHBondContact O-N 3.34Å; I101-Q103 VanDerWaalsContact O-N 3.13Å; I101-H104 WeakPolarHBondContact O-CB 3.49Å; I101-H104 PolarHBondContact O-N 2.87Å; I101-I105 HydrophobicContact CG2-CD1 4.04Å; I101-I105 HydrophobicContact CG2-CG1 4.44Å
102K98.4Very high98.4Very high139 Ų13951.2 Ų51.260%0.60427%0.266SS*.G310 helixtrans-56.6-36.2-168.8-172.1175.3179.2179.30113.5V96 N100 H104 I105 F107V96-K102 HydrophobicContact CG1-CB 3.7Å; N100-K102 VanDerWaalsContact C-N 3.35Å; N100-K102 PolarHBondContact O-N 2.65Å; K102-H104 PolarHBondContact O-N 3.49Å; K102-I105 PolarHBondContact O-N 2.9Å; K102-I105 VanDerWaalsContact O-N 3.14Å; K102-F107 HydrophobicContact CG-CE2 4.47Å
103Q98.2Very high98.4Very high144 Ų14455.6 Ų55.667%0.67329%0.285SS*.G310 helixtrans-68.1-13.7-178.472.7-163.28.300113.7N100 I101N100-Q103 WeakPolarHBondContact O-CG 3.4Å; I101-Q103 PolarHBondContact O-N 3.34Å; I101-Q103 VanDerWaalsContact O-N 3.13Å
104H98.6Very high98.3Very high41 Ų4149.8 Ų49.819%0.1926%0.263CS..G310 helixtrans-97.84.7177.3-60.1-77.5000112.4V19 P29 C31 I101 K102V19-H104 HydrophobicContact CG1-CB 3.75Å; P29-H104 HydrophobicContact CG-CB 4.38Å; P29-H104 PolarHBondContact O-ND1 3.11Å; C31-H104 WeakPolarHBondContact CB-O 3.44Å; C31-H104 PolarHBondContact N-O 3.15Å; I101-H104 WeakPolarHBondContact O-CB 3.49Å; I101-H104 PolarHBondContact O-N 2.87Å; K102-H104 PolarHBondContact O-N 3.49Å
105I98.8Very high98.3Very high15 Ų1551 Ų518%0.07727%0.269CS..EExtended strand (participates in β ladder)trans-107125.9-179.2-53.7174.6000109.8A11 L16 C31 E33 I38 I101 K102 F107A11-I105 HydrophobicContact CB-CD1 4.09Å; A11-I105 HydrophobicContact CB-CG2 4.05Å; L16-I105 HydrophobicContact CD2-CD1 3.92Å; C31-I105 HydrophobicContact CB-CG1 4.05Å; C31-I105 CarbonylContact O-C 3.58Å; C31-I105 VanDerWaalsContact O-CA 3.3Å; C31-I105 WeakPolarHBondContact O-CA 3.15Å; E33-I105 HydrophobicContact CB-CG2 4.03Å; I38-I105 HydrophobicContact CG2-CD1 3.64Å; I101-I105 HydrophobicContact CG2-CD1 4.04Å; I101-I105 HydrophobicContact CG2-CG1 4.44Å; K102-I105 PolarHBondContact O-N 2.9Å; K102-I105 VanDerWaalsContact O-N 3.14Å; I105-F107 HydrophobicContact CB-CE2 3.99Å; I105-F107 HydrophobicContact CB-CZ 3.98Å; I105-F107 HydrophobicContact CD1-CZ 4.19Å; I105-F107 HydrophobicContact CG2-CD1 3.94Å; I105-F107 HydrophobicContact CG2-CD2 4.1Å; I105-F107 HydrophobicContact CG2-CE1 3.61Å; I105-F107 HydrophobicContact CG2-CE2 3.8Å; I105-F107 HydrophobicContact CG2-CG 4.17Å; I105-F107 HydrophobicContact CG2-CZ 3.55Å
106V98.6Very high98.2Very high63 Ų6355 Ų5538%0.38229%0.286SS..EExtended strand (participates in β ladder)trans-101.8106.5170.5-164.70000107.7I30 C31 F32 E33 T109I30-V106 HydrophobicContact CG2-CG2 3.99Å; C31-V106 PolarHBondContact O-N 2.76Å; F32-V106 HydrophobicContact CD1-CB 4.11Å; F32-V106 HydrophobicContact CD1-CG2 4.43Å; F32-V106 HydrophobicContact CE1-CB 4.4Å; F32-V106 HydrophobicContact CE1-CG2 4.32Å; E33-V106 PolarHBondContact N-O 2.9Å; V106-T109 VanDerWaalsContact CG1-OG1 3.29Å; V106-T109 WeakPolarHBondContact CG1-OG1 3.43Å
107F98.2Very high98.2Very high37 Ų3755.3 Ų55.316%0.16229%0.288CS..EExtended strand (participates in β ladder)trans-85.3160.1-178.2-67-76.6000111.9E33 G35 D37 I38 K102 I105 T109E33-F107 HydrophobicContact CB-CD1 4Å; E33-F107 HydrophobicContact CB-CE1 4.39Å; E33-F107 HydrophobicContact CG-CD1 3.88Å; E33-F107 HydrophobicContact CG-CE1 4.2Å; E33-F107 CarbonylContact O-C 3.56Å; E33-F107 VanDerWaalsContact O-C 3.29Å; E33-F107 WeakPolarHBondContact O-CA 3.15Å; G35-F107 WeakPolarHBondContact O-CB 2.9Å; D37-F107 VanDerWaalsContact C-CE1 3.49Å; I38-F107 HydrophobicContact CG2-CE1 3.83Å; I38-F107 HydrophobicContact CG2-CZ 3.64Å; K102-F107 HydrophobicContact CG-CE2 4.47Å; I105-F107 HydrophobicContact CB-CE2 3.99Å; I105-F107 HydrophobicContact CB-CZ 3.98Å; I105-F107 HydrophobicContact CD1-CZ 4.19Å; I105-F107 HydrophobicContact CG2-CD1 3.94Å; I105-F107 HydrophobicContact CG2-CD2 4.1Å; I105-F107 HydrophobicContact CG2-CE1 3.61Å; I105-F107 HydrophobicContact CG2-CE2 3.8Å; I105-F107 HydrophobicContact CG2-CG 4.17Å; I105-F107 HydrophobicContact CG2-CZ 3.55Å; F107-T109 PolarHBondContact O-N 3.16Å; F107-T109 PolarHBondContact O-OG1 2.8Å
108N97.5Very high98.1Very high26 Ų2660.8 Ų60.814%0.13931%0.308CS..SBendtrans56.635.7-177.2-56.3-111000111E33 G35 D36 D132 L133 R134E33-N108 PolarHBondContact O-N 3.33Å; G35-N108 PolarHBondContact O-N 3.09Å; D36-N108 WeakPolarHBondContact CA-ND2 3.47Å; N108-D132 CarbonylContact O-C 3.53Å; N108-D132 WeakPolarHBondContact O-CA 3.34Å; N108-L133 PolarHBondContact O-N 3.4Å; N108-R134 HydrophobicContact CB-CG 3.89Å; N108-R134 VanDerWaalsContact CG-CZ 3.47Å; N108-R134 PolarHBondContact ND2-NE 3.39Å; N108-R134 PolarHBondContact ND2-NH2 2.95Å; N108-R134 PolarHBondContact OD1-NE 3.15Å
109T98.2Very high97.9Very high7 Ų760.8 Ų60.84%0.04331%0.305CS..EExtended strand (participates in β ladder)trans-126114.6-178.2-540000108.8F32 E33 R34 V106 F107 T130 E131F32-T109 HydrophobicContact CD1-CG2 3.62Å; F32-T109 HydrophobicContact CE1-CG2 4.23Å; F32-T109 HydrophobicContact CG-CG2 4.48Å; E33-T109 CarbonylContact C-O 3.57Å; E33-T109 VanDerWaalsContact C-O 3.27Å; E33-T109 PolarHBondContact O-N 2.91Å; R34-T109 WeakPolarHBondContact CA-O 3.27Å; R34-T109 PolarHBondContact N-O 3.2Å; V106-T109 VanDerWaalsContact CG1-OG1 3.29Å; V106-T109 WeakPolarHBondContact CG1-OG1 3.43Å; F107-T109 PolarHBondContact O-N 3.16Å; F107-T109 PolarHBondContact O-OG1 2.8Å; T109-T130 HydrophobicContact CG2-CG2 4.11Å; T109-E131 WeakPolarHBondContact CA-O 3.36Å
110E97.4Very high97.8Very high72 Ų7258.1 Ų58.134%0.33629%0.293SS..EExtended strand (participates in β ladder)trans-90.5133.4174.5-179.3157.7-134.200109.8T112 T130 E131 L133E110-T112 HydrophobicContact CG-CG2 4.28Å; E110-T112 PolarHBondContact O-N 3.3Å; E110-T130 CarbonylContact O-C 3.56Å; E110-T130 WeakPolarHBondContact O-CA 3.45Å; E110-E131 PolarHBondContact N-O 3.18Å; E110-E131 PolarHBondContact O-N 3.36Å; E110-L133 HydrophobicContact CB-CD1 4.26Å; E110-L133 HydrophobicContact CB-CD2 3.92Å; E110-L133 HydrophobicContact CB-CG 4.2Å
111V98.4Very high97.7Very high10 Ų1058.5 Ų58.56%0.06130%0.295CS..EExtended strand (participates in β ladder)trans-83.8111.5166.5179.90000107.5I9 F32 I114 V128 M129 T130 Y338I9-V111 HydrophobicContact CD1-CB 4.46Å; I9-V111 HydrophobicContact CD1-CG1 4.4Å; I9-V111 HydrophobicContact CD1-CG2 3.7Å; I9-V111 HydrophobicContact CG1-CG2 4.47Å; I9-V111 HydrophobicContact CG2-CB 4.1Å; I9-V111 HydrophobicContact CG2-CG2 3.96Å; F32-V111 HydrophobicContact CB-CG2 3.66Å; F32-V111 HydrophobicContact CD2-CG2 3.91Å; F32-V111 HydrophobicContact CG-CG2 3.91Å; V111-I114 HydrophobicContact CG1-CD1 3.81Å; V111-I114 HydrophobicContact CG1-CG1 3.67Å; V111-V128 HydrophobicContact CG1-CG1 3.87Å; V111-V128 HydrophobicContact CG2-CG1 4.27Å; V111-M129 WeakPolarHBondContact CA-O 3.4Å; V111-T130 HydrophobicContact CG2-CG2 4.11Å; V111-Y338 HydrophobicContact CG1-CG 4.43Å; V111-Y338 WeakPolarHBondContact O-CB 3.31Å
112T97.8Very high97.6Very high54 Ų5462.5 Ų62.533%0.33133%0.328SS..EExtended strand (participates in β ladder)trans-91-29.5-174.454.10000111.8E110 M129 E131E110-T112 HydrophobicContact CG-CG2 4.28Å; E110-T112 PolarHBondContact O-N 3.3Å; T112-M129 PolarHBondContact N-O 3.26Å; T112-M129 PolarHBondContact OG1-O 2.9Å; T112-E131 HydrophobicContact CG2-CB 3.81Å
113K98.4Very high97.5Very high93 Ų9358.9 Ų58.940%0.40432%0.318SS..EExtended strand (participates in β ladder)trans-155.5145178-151.2178.9-169.1-174.20112E115 M129 Y338K113-E115 HydrophobicContact CD-CG 3.84Å; K113-E115 WeakPolarHBondContact CE-OE1 3.46Å; K113-E115 HydrophobicContact CG-CG 3.99Å; K113-E115 IonicContact NZ-OE1 2.86Å; K113-E115 PolarHBondContact NZ-OE1 3.28Å; K113-M129 HydrophobicContact CB-CB 4.11Å; K113-M129 HydrophobicContact CB-CG 4.3Å; K113-M129 HydrophobicContact CB-SD 3.97Å; K113-M129 HydrophobicContact CD-SD 4.26Å; K113-M129 PolarHBondContact N-O 3.44Å; K113-M129 PolarHBondContact O-N 3.41Å; K113-Y338 CarbonylContact C-O 3.55Å; K113-Y338 WeakPolarHBondContact CA-O 3.44Å
114I98.6Very high97.4Very high4 Ų452 Ų522%0.02129%0.286CS..EExtended strand (participates in β ladder)trans-127.4125.5168.1-65.3161000107.6I9 V111 W126 I127 V128 V146 L148 Y338 L339I9-I114 HydrophobicContact CD1-CD1 4.26Å; I9-I114 HydrophobicContact CG1-CD1 3.98Å; V111-I114 HydrophobicContact CG1-CD1 3.81Å; V111-I114 HydrophobicContact CG1-CG1 3.67Å; I114-W126 HydrophobicContact CG2-CB 4.36Å; I114-W126 HydrophobicContact CG2-CD2 4.34Å; I114-W126 HydrophobicContact CG2-CE3 3.79Å; I114-I127 VanDerWaalsContact CA-O 3.31Å; I114-I127 WeakPolarHBondContact CA-O 3.26Å; I114-V128 HydrophobicContact CG1-CG1 4.32Å; I114-V128 HydrophobicContact CG1-CG2 4.32Å; I114-V146 HydrophobicContact CD1-CG1 3.62Å; I114-V146 HydrophobicContact CG1-CG1 4.49Å; I114-V146 HydrophobicContact CG2-CG2 4.23Å; I114-L148 HydrophobicContact CD1-CD2 4.22Å; I114-Y338 HydrophobicContact CD1-CD2 3.61Å; I114-Y338 HydrophobicContact CD1-CE2 3.95Å; I114-Y338 HydrophobicContact CD1-CG 4.5Å; I114-Y338 HydrophobicContact CG1-CD2 4.36Å; I114-Y338 PolarHBondContact N-O 3Å; I114-L339 HydrophobicContact CB-CD2 3.7Å; I114-L339 HydrophobicContact CD1-CD2 4.38Å; I114-L339 HydrophobicContact CG2-CD2 3.94Å
115E97.6Very high97.4Very high67 Ų6752.1 Ų52.131%0.31329%0.286SS..EExtended strand (participates in β ladder)trans-130.2154.8-177.8-65.6-172.6131.300111.2K113 W126 I127 M129K113-E115 HydrophobicContact CD-CG 3.84Å; K113-E115 WeakPolarHBondContact CE-OE1 3.46Å; K113-E115 HydrophobicContact CG-CG 3.99Å; K113-E115 IonicContact NZ-OE1 2.86Å; K113-E115 PolarHBondContact NZ-OE1 3.28Å; E115-W126 CarbonylContact O-C 3.6Å; E115-W126 WeakPolarHBondContact O-CA 3.48Å; E115-I127 PolarHBondContact N-O 3.25Å; E115-I127 PolarHBondContact O-N 3.37Å; E115-M129 WeakPolarHBondContact OE2-CE 3.47Å
116K97.3Very high97.3Very high85 Ų8551.4 Ų51.437%0.3728%0.283SS..EExtended strand (participates in β ladder)trans-65.3140.8168-68.1179.7176.8178.80109.3H120 W126K116-H120 HydrophobicContact CB-CB 3.66Å; K116-H120 HydrophobicContact CD-CB 4.43Å; K116-H120 HydrophobicContact CG-CB 4.12Å; K116-W126 HydrophobicContact CG-CE3 4.19Å; K116-W126 HydrophobicContact CG-CH2 4.08Å; K116-W126 HydrophobicContact CG-CZ3 3.65Å
117T97.4Very high97.3Very high17 Ų1750.6 Ų50.610%0.10428%0.276CS..  trans-69.3161.9163.359.20000110.2S119 H120 E125 I127 V142T117-S119 PolarHBondContact O-N 2.68Å; T117-S119 VanDerWaalsContact O-N 3.15Å; T117-S119 PolarHBondContact OG1-OG 3.25Å; T117-H120 WeakPolarHBondContact O-CB 3.09Å; T117-H120 PolarHBondContact O-N 3.13Å; T117-H120 WeakPolarHBondContact OG1-CA 3.42Å; T117-H120 PolarHBondContact OG1-N 3.27Å; T117-H120 VanDerWaalsContact OG1-N 3.12Å; T117-E125 HydrophobicContact CG2-CB 3.96Å; T117-E125 PolarHBondContact N-O 3.25Å; T117-E125 PolarHBondContact OG1-O 3.32Å; T117-I127 HydrophobicContact CG2-CD1 4.38Å; T117-I127 HydrophobicContact CG2-CG1 3.69Å; T117-V142 HydrophobicContact CG2-CG1 3.94Å; T117-V142 HydrophobicContact CG2-CG2 4.4Å
118D96.5Very high97.4Very high183 Ų18348.8 Ų48.898%0.97927%0.268SS*.THydrogen-bonded Turntrans-58.8-27.4173.8-64.6-29.5000112.5
119S95.7Very high97.4Very high56 Ų5650.2 Ų50.239%0.39227%0.274SS..THydrogen-bonded Turntrans-96.89.5177.465.20000113.8T117 D121 A122 T123T117-S119 PolarHBondContact O-N 2.68Å; T117-S119 VanDerWaalsContact O-N 3.15Å; T117-S119 PolarHBondContact OG1-OG 3.25Å; S119-D121 VanDerWaalsContact C-N 3.27Å; S119-D121 PolarHBondContact O-N 3.32Å; S119-A122 WeakPolarHBondContact O-CA 3.41Å; S119-A122 PolarHBondContact O-N 2.85Å; S119-T123 PolarHBondContact O-N 3.42Å; S119-T123 PolarHBondContact O-OG1 2.86Å; S119-T123 PolarHBondContact OG-OG1 3.43Å
120H96.2Very high97.5Very high1 Ų150.6 Ų50.61%0.00528%0.276CS..Hα-helixtrans-54.7-40.8-172.417583.7000112.9K116 T117 A122 T123 G124 E125 W126 H364K116-H120 HydrophobicContact CB-CB 3.66Å; K116-H120 HydrophobicContact CD-CB 4.43Å; K116-H120 HydrophobicContact CG-CB 4.12Å; T117-H120 WeakPolarHBondContact O-CB 3.09Å; T117-H120 PolarHBondContact O-N 3.13Å; T117-H120 WeakPolarHBondContact OG1-CA 3.42Å; T117-H120 PolarHBondContact OG1-N 3.27Å; T117-H120 VanDerWaalsContact OG1-N 3.12Å; H120-A122 PolarHBondContact O-N 3.07Å; H120-A122 VanDerWaalsContact O-N 3.12Å; H120-T123 PolarHBondContact O-N 2.77Å; H120-G124 WeakPolarHBondContact O-CA 3.43Å; H120-G124 PolarHBondContact O-N 3Å; H120-E125 PolarHBondContact ND1-O 3.44Å; H120-W126 AromaticContact CE1-CE2 3.4Å; H120-W126 AromaticContact CE1-CH2 3.81Å; H120-W126 AromaticContact CE1-CZ2 3.27Å; H120-W126 WeakPolarHBondContact CE1-CZ2 3.28Å; H120-W126 AromaticContact CE1-NE1 3.75Å; H120-W126 AromaticContact ND1-CE2 3.93Å; H120-W126 AromaticContact NE2-CZ2 3.93Å; H120-H364 PolarHBondContact O-CD2 2.98Å; H120-H364 PolarHBondContact O-NE2 2.95Å
121D95.7Very high97.5Very high114 Ų11449 Ų4961%0.6127%0.269SS*.Hα-helixtrans-61.2-24.6179.7-71.78.9000112.5S119 P363 H364S119-D121 VanDerWaalsContact C-N 3.27Å; S119-D121 PolarHBondContact O-N 3.32Å; D121-P363 WeakPolarHBondContact OD1-CG 3.47Å; D121-H364 PolarHBondContact O-NE2 3.24Å
122A96.5Very high97.5Very high84 Ų8450.6 Ų50.669%0.69428%0.277SS*.Hα-helixtrans-97.3-35.4175.400000113.6S119 H120S119-A122 WeakPolarHBondContact O-CA 3.41Å; S119-A122 PolarHBondContact O-N 2.85Å; H120-A122 PolarHBondContact O-N 3.07Å; H120-A122 VanDerWaalsContact O-N 3.12Å
123T95.5Very high97.4Very high64 Ų6451.4 Ų51.439%0.39328%0.279SS..Hα-helixtrans-107.7-18.9-17068.20000114.8S119 H120 E125S119-T123 PolarHBondContact O-N 3.42Å; S119-T123 PolarHBondContact O-OG1 2.86Å; S119-T123 PolarHBondContact OG-OG1 3.43Å; H120-T123 PolarHBondContact O-N 2.77Å; T123-E125 WeakPolarHBondContact CB-OE2 3.48Å; T123-E125 PolarHBondContact O-N 3.28Å; T123-E125 WeakPolarHBondContact OG1-CB 3.25Å; T123-E125 WeakPolarHBondContact OG1-CG 3.41Å; T123-E125 PolarHBondContact OG1-N 2.87Å; T123-E125 PolarHBondContact OG1-OE2 2.95Å
124G96.4Very high97.3Very high0 Ų054.8 Ų54.80%029%0.289CS..  trans69.96.9-172.900000114.5H120 W126 H364 T367H120-G124 WeakPolarHBondContact O-CA 3.43Å; H120-G124 PolarHBondContact O-N 3Å; G124-W126 PolarHBondContact O-NE1 2.9Å; G124-W126 VanDerWaalsContact O-NE1 3.13Å; G124-H364 VanDerWaalsContact CA-CD2 3.43Å; G124-H364 WeakPolarHBondContact CA-CD2 3.44Å; G124-H364 PolarHBondContact N-CD2 3.22Å; G124-T367 PolarHBondContact O-OG1 2.95Å
125E98.1Very high97.3Very high43 Ų4358.5 Ų58.520%0.20131%0.312CS..  trans-77.4155.9-173.9-68.8171.9136.900113.3T117 H120 T123 V142 V143 Q144T117-E125 HydrophobicContact CG2-CB 3.96Å; T117-E125 PolarHBondContact N-O 3.25Å; T117-E125 PolarHBondContact OG1-O 3.32Å; H120-E125 PolarHBondContact ND1-O 3.44Å; T123-E125 WeakPolarHBondContact CB-OE2 3.48Å; T123-E125 PolarHBondContact O-N 3.28Å; T123-E125 WeakPolarHBondContact OG1-CB 3.25Å; T123-E125 WeakPolarHBondContact OG1-CG 3.41Å; T123-E125 PolarHBondContact OG1-N 2.87Å; T123-E125 PolarHBondContact OG1-OE2 2.95Å; E125-V142 HydrophobicContact CB-CG1 4.05Å; E125-V142 HydrophobicContact CG-CG1 4.48Å; E125-V143 WeakPolarHBondContact CA-O 3.07Å; E125-Q144 HydrophobicContact CG-CG 4.18Å; E125-Q144 PolarHBondContact OE1-NE2 3.5Å
126W98.5Very high97.2Very high0 Ų060.4 Ų60.40%033%0.325CS..EExtended strand (participates in β ladder)trans-130.5144.9-175.9-60.588.6000111.1I114 E115 K116 H120 G124 V142 V143 V146 T343 L362 T367 M368I114-W126 HydrophobicContact CG2-CB 4.36Å; I114-W126 HydrophobicContact CG2-CD2 4.34Å; I114-W126 HydrophobicContact CG2-CE3 3.79Å; E115-W126 CarbonylContact O-C 3.6Å; E115-W126 WeakPolarHBondContact O-CA 3.48Å; K116-W126 HydrophobicContact CG-CE3 4.19Å; K116-W126 HydrophobicContact CG-CH2 4.08Å; K116-W126 HydrophobicContact CG-CZ3 3.65Å; H120-W126 AromaticContact CE1-CE2 3.4Å; H120-W126 AromaticContact CE1-CH2 3.81Å; H120-W126 AromaticContact CE1-CZ2 3.27Å; H120-W126 WeakPolarHBondContact CE1-CZ2 3.28Å; H120-W126 AromaticContact CE1-NE1 3.75Å; H120-W126 AromaticContact ND1-CE2 3.93Å; H120-W126 AromaticContact NE2-CZ2 3.93Å; G124-W126 PolarHBondContact O-NE1 2.9Å; G124-W126 VanDerWaalsContact O-NE1 3.13Å; W126-V142 WeakPolarHBondContact O-CA 3.48Å; W126-V143 HydrophobicContact CB-CG2 4.3Å; W126-V143 PolarHBondContact N-O 3.18Å; W126-V143 PolarHBondContact O-N 2.85Å; W126-V146 HydrophobicContact CB-CG2 3.6Å; W126-V146 HydrophobicContact CG-CG2 3.74Å; W126-T343 HydrophobicContact CH2-CG2 4.11Å; W126-T343 HydrophobicContact CZ3-CG2 4.29Å; W126-L362 HydrophobicContact CH2-CD1 4.34Å; W126-L362 HydrophobicContact CH2-CD2 4.41Å; W126-L362 HydrophobicContact CZ2-CD1 4.37Å; W126-T367 PolarHBondContact NE1-OG1 2.81Å; W126-M368 HydrophobicContact CH2-CE 4.13Å; W126-M368 HydrophobicContact CH2-SD 3.91Å; W126-M368 HydrophobicContact CZ2-CB 3.83Å; W126-M368 HydrophobicContact CZ2-CE 4.33Å; W126-M368 HydrophobicContact CZ2-CG 4.41Å; W126-M368 HydrophobicContact CZ2-SD 4.03Å; W126-M368 HydrophobicContact CZ3-SD 4.3Å
127I98.5Very high97.3Very high45 Ų4562.2 Ų62.223%0.23134%0.335CS..EExtended strand (participates in β ladder)trans-92.5121.9167.3-53.7175.6000107.4I114 E115 T117 M129 M141 V142I114-I127 VanDerWaalsContact CA-O 3.31Å; I114-I127 WeakPolarHBondContact CA-O 3.26Å; E115-I127 PolarHBondContact N-O 3.25Å; E115-I127 PolarHBondContact O-N 3.37Å; T117-I127 HydrophobicContact CG2-CD1 4.38Å; T117-I127 HydrophobicContact CG2-CG1 3.69Å; I127-M129 HydrophobicContact CG2-CE 4.09Å; I127-M129 HydrophobicContact CG2-CG 4.29Å; I127-M141 WeakPolarHBondContact CA-O 3.12Å; I127-V142 HydrophobicContact CG1-CG2 4.36Å
128V98.7Very high97.3Very high0 Ų068.7 Ų68.70%036%0.361CS..EExtended strand (participates in β ladder)trans-108119.6174.6-176.80000108.1A7 F32 V111 I114 T130 S140 M141 V143 V146A7-V128 HydrophobicContact CB-CG2 3.83Å; F32-V128 HydrophobicContact CD2-CG1 4.45Å; F32-V128 HydrophobicContact CE2-CG1 4.09Å; V111-V128 HydrophobicContact CG1-CG1 3.87Å; V111-V128 HydrophobicContact CG2-CG1 4.27Å; I114-V128 HydrophobicContact CG1-CG1 4.32Å; I114-V128 HydrophobicContact CG1-CG2 4.32Å; V128-T130 HydrophobicContact CG1-CG2 4.06Å; V128-S140 CarbonylContact O-C 3.49Å; V128-S140 VanDerWaalsContact O-CA 3.27Å; V128-S140 WeakPolarHBondContact O-CA 3.26Å; V128-M141 HydrophobicContact CB-CG 4.26Å; V128-M141 PolarHBondContact N-O 2.91Å; V128-M141 PolarHBondContact O-N 2.92Å; V128-V143 HydrophobicContact CG2-CG2 3.71Å; V128-V146 HydrophobicContact CG2-CG2 3.88Å
129M98.8Very high97.4Very high56 Ų5663 Ų6328%0.27634%0.336SS..EExtended strand (participates in β ladder)trans-103.1131.6176.8-56.7-177.7-16600109.7V111 T112 K113 E115 I127 S139V111-M129 WeakPolarHBondContact CA-O 3.4Å; T112-M129 PolarHBondContact N-O 3.26Å; T112-M129 PolarHBondContact OG1-O 2.9Å; K113-M129 HydrophobicContact CB-CB 4.11Å; K113-M129 HydrophobicContact CB-CG 4.3Å; K113-M129 HydrophobicContact CB-SD 3.97Å; K113-M129 HydrophobicContact CD-SD 4.26Å; K113-M129 PolarHBondContact N-O 3.44Å; K113-M129 PolarHBondContact O-N 3.41Å; E115-M129 WeakPolarHBondContact OE2-CE 3.47Å; I127-M129 HydrophobicContact CG2-CE 4.09Å; I127-M129 HydrophobicContact CG2-CG 4.29Å; M129-S139 WeakPolarHBondContact CA-O 3.29Å
130T98.6Very high97.5Very high14 Ų1464.5 Ų64.59%0.08635%0.346CS..EExtended strand (participates in β ladder)trans-130.7153.3-174.965.40000112F32 T109 E110 V111 V128 K138 S139F32-T130 HydrophobicContact CD1-CG2 3.98Å; F32-T130 HydrophobicContact CD2-CG2 4.41Å; F32-T130 HydrophobicContact CE1-CG2 3.83Å; F32-T130 HydrophobicContact CE2-CG2 4.28Å; F32-T130 HydrophobicContact CG-CG2 4.26Å; F32-T130 HydrophobicContact CZ-CG2 3.97Å; T109-T130 HydrophobicContact CG2-CG2 4.11Å; E110-T130 CarbonylContact O-C 3.56Å; E110-T130 WeakPolarHBondContact O-CA 3.45Å; V111-T130 HydrophobicContact CG2-CG2 4.11Å; V128-T130 HydrophobicContact CG1-CG2 4.06Å; T130-K138 CarbonylContact O-C 3.12Å; T130-K138 WeakPolarHBondContact O-CA 3.26Å; T130-S139 PolarHBondContact N-O 3.46Å; T130-S139 PolarHBondContact O-N 3Å
131E98.5Very high97.6Very high40 Ų4066.7 Ų66.719%0.18736%0.357CS..EExtended strand (participates in β ladder)trans-127124.6172.8-175.1163.8179.700109.5T109 E110 T112 L133 E137 K138T109-E131 WeakPolarHBondContact CA-O 3.36Å; E110-E131 PolarHBondContact N-O 3.18Å; E110-E131 PolarHBondContact O-N 3.36Å; T112-E131 HydrophobicContact CG2-CB 3.81Å; E131-L133 PolarHBondContact O-N 3.18Å; E131-E137 WeakPolarHBondContact CA-O 3.5Å; E131-K138 HydrophobicContact CB-CG 4.47Å; E131-K138 HydrophobicContact CG-CG 4.32Å; E131-K138 WeakPolarHBondContact OE2-CE 3.48Å; E131-K138 IonicContact OE2-NZ 2.64Å
132D98.3Very high97.8Very high43 Ų4363.9 Ų63.923%0.2334%0.344CS..EExtended strand (participates in β ladder)trans-73.9117170.2-177.6-52.1000108.6N108 R134 T135 N136 E137N108-D132 CarbonylContact O-C 3.53Å; N108-D132 WeakPolarHBondContact O-CA 3.34Å; D132-R134 PolarHBondContact O-N 2.99Å; D132-R134 WeakPolarHBondContact OD1-CA 3.49Å; D132-R134 VanDerWaalsContact OD1-CB 3.24Å; D132-R134 WeakPolarHBondContact OD1-CB 3.48Å; D132-R134 PolarHBondContact OD1-N 2.95Å; D132-T135 WeakPolarHBondContact CB-OG1 3.5Å; D132-T135 PolarHBondContact O-N 3.28Å; D132-T135 PolarHBondContact OD1-N 2.96Å; D132-N136 WeakPolarHBondContact O-CA 3.35Å; D132-N136 PolarHBondContact O-N 3.09Å; D132-E137 PolarHBondContact N-O 2.88Å
133L96.3Very high97.9Very high70 Ų7059.9 Ų59.937%0.36631%0.311SS..THydrogen-bonded Turntrans-74.5-6.5-174.4-61.2179.1000113.8R34 N108 E110 E131R34-L133 HydrophobicContact CB-CD1 4.13Å; R34-L133 WeakPolarHBondContact O-CD1 3.29Å; N108-L133 PolarHBondContact O-N 3.4Å; E110-L133 HydrophobicContact CB-CD1 4.26Å; E110-L133 HydrophobicContact CB-CD2 3.92Å; E110-L133 HydrophobicContact CB-CG 4.2Å; E131-L133 PolarHBondContact O-N 3.18Å
134R96.5Very high98Very high164 Ų16458.9 Ų58.962%0.61930%0.302SS*.THydrogen-bonded Turntrans-94.7-37.5174.7-57.7165.9174.2168.3-7111N108 D132N108-R134 HydrophobicContact CB-CG 3.89Å; N108-R134 VanDerWaalsContact CG-CZ 3.47Å; N108-R134 PolarHBondContact ND2-NE 3.39Å; N108-R134 PolarHBondContact ND2-NH2 2.95Å; N108-R134 PolarHBondContact OD1-NE 3.15Å; D132-R134 PolarHBondContact O-N 2.99Å; D132-R134 WeakPolarHBondContact OD1-CA 3.49Å; D132-R134 VanDerWaalsContact OD1-CB 3.24Å; D132-R134 WeakPolarHBondContact OD1-CB 3.48Å; D132-R134 PolarHBondContact OD1-N 2.95Å
135T97.4Very high98.1Very high82 Ų8258.9 Ų58.950%0.50330%0.302SS..THydrogen-bonded Turntrans-106.6-15.1-175.565.40000113.8D132 E137D132-T135 WeakPolarHBondContact CB-OG1 3.5Å; D132-T135 PolarHBondContact O-N 3.28Å; D132-T135 PolarHBondContact OD1-N 2.96Å; T135-E137 PolarHBondContact O-N 3.44Å; T135-E137 VanDerWaalsContact OG1-CB 3.26Å; T135-E137 WeakPolarHBondContact OG1-CB 3.42Å; T135-E137 PolarHBondContact OG1-N 3.48Å
136N97Very high98.1Very high108 Ų10856.9 Ų56.958%0.57829%0.292SS*.  trans57.520.7-166.3-50.2-68000113.5D132 K138D132-N136 WeakPolarHBondContact O-CA 3.35Å; D132-N136 PolarHBondContact O-N 3.09Å; N136-K138 PolarHBondContact O-N 3.44Å
137E98.2Very high98.1Very high123 Ų12356.9 Ų56.958%0.57529%0.292SS*.  trans-72.3127.7176.2-175.6176.617500110E131 D132 T135E131-E137 WeakPolarHBondContact CA-O 3.5Å; D132-E137 PolarHBondContact N-O 2.88Å; T135-E137 PolarHBondContact O-N 3.44Å; T135-E137 VanDerWaalsContact OG1-CB 3.26Å; T135-E137 WeakPolarHBondContact OG1-CB 3.42Å; T135-E137 PolarHBondContact OG1-N 3.48Å
138K98.5Very high98.1Very high153 Ų15354.8 Ų54.867%0.66528%0.281SS*.EExtended strand (participates in β ladder)trans-95.9133.9177-64.8-175.7178.2-175.20110T130 E131 N136T130-K138 CarbonylContact O-C 3.12Å; T130-K138 WeakPolarHBondContact O-CA 3.26Å; E131-K138 HydrophobicContact CB-CG 4.47Å; E131-K138 HydrophobicContact CG-CG 4.32Å; E131-K138 WeakPolarHBondContact OE2-CE 3.48Å; E131-K138 IonicContact OE2-NZ 2.64Å; N136-K138 PolarHBondContact O-N 3.44Å
139S98.3Very high98.1Very high63 Ų6355 Ų5544%0.44128%0.283SS..EExtended strand (participates in β ladder)trans-131.9159.1178.1-76.60000110.2M129 T130M129-S139 WeakPolarHBondContact CA-O 3.29Å; T130-S139 PolarHBondContact N-O 3.46Å; T130-S139 PolarHBondContact O-N 3Å
140S98.2Very high98Very high88 Ų8855.2 Ų55.262%0.61529%0.288SS*.EExtended strand (participates in β ladder)trans-140.6151172.165.40000110.4V128V128-S140 CarbonylContact O-C 3.49Å; V128-S140 VanDerWaalsContact O-CA 3.27Å; V128-S140 WeakPolarHBondContact O-CA 3.26Å
141M98.1Very high97.7Very high46 Ų4656.1 Ų56.123%0.22730%0.299CS..EExtended strand (participates in β ladder)trans-149.6152.5176.565.6176.6-57.600111.6I30 F32 I127 V128 V143I30-M141 HydrophobicContact CD1-CE 3.45Å; I30-M141 VanDerWaalsContact CD1-CE 3.45Å; I30-M141 HydrophobicContact CD1-SD 4.13Å; F32-M141 HydrophobicContact CE2-SD 4.26Å; F32-M141 HydrophobicContact CZ-SD 3.73Å; I127-M141 WeakPolarHBondContact CA-O 3.12Å; V128-M141 HydrophobicContact CB-CG 4.26Å; V128-M141 PolarHBondContact N-O 2.91Å; V128-M141 PolarHBondContact O-N 2.92Å; M141-V143 HydrophobicContact CE-CG1 3.43Å; M141-V143 VanDerWaalsContact CE-CG1 3.43Å; M141-V143 HydrophobicContact CG-CG1 4.26Å; M141-V143 HydrophobicContact SD-CG1 4.16Å
142V98.3Very high97.4Very high55 Ų5555.5 Ų55.533%0.33330%0.296SS..EExtended strand (participates in β ladder)trans-98.2128.1173.7-179.60000109.8R5 T117 E125 W126 I127R5-V142 PolarHBondContact NH2-O 2.96Å; T117-V142 HydrophobicContact CG2-CG1 3.94Å; T117-V142 HydrophobicContact CG2-CG2 4.4Å; E125-V142 HydrophobicContact CB-CG1 4.05Å; E125-V142 HydrophobicContact CG-CG1 4.48Å; W126-V142 WeakPolarHBondContact O-CA 3.48Å; I127-V142 HydrophobicContact CG1-CG2 4.36Å
143V98.5Very high97Very high0 Ų056.3 Ų56.30%030%0.299CS..EExtended strand (participates in β ladder)trans-129.1155.5178.1-64.20000110.5R5 A7 E125 W126 V128 M141 A145 V146R5-V143 HydrophobicContact CB-CB 4.5Å; R5-V143 HydrophobicContact CB-CG1 4.26Å; A7-V143 HydrophobicContact CB-CG1 4.23Å; A7-V143 HydrophobicContact CB-CG2 3.91Å; E125-V143 WeakPolarHBondContact CA-O 3.07Å; W126-V143 HydrophobicContact CB-CG2 4.3Å; W126-V143 PolarHBondContact N-O 3.18Å; W126-V143 PolarHBondContact O-N 2.85Å; V128-V143 HydrophobicContact CG2-CG2 3.71Å; M141-V143 HydrophobicContact CE-CG1 3.43Å; M141-V143 VanDerWaalsContact CE-CG1 3.43Å; M141-V143 HydrophobicContact CG-CG1 4.26Å; M141-V143 HydrophobicContact SD-CG1 4.16Å; V143-A145 WeakPolarHBondContact CG2-O 3.29Å; V143-V146 HydrophobicContact CG2-CG2 3.74Å
144Q98.2Very high96.7Very high44 Ų4453.8 Ų53.821%0.20629%0.289CS..SBendtrans-82.3-19.6179.5-69.680.418.600113.3M4 R5 E125 T367M4-Q144 HydrophobicContact CG-CB 4.36Å; M4-Q144 HydrophobicContact SD-CB 3.18Å; M4-Q144 WeakPolarHBondContact SD-CB 3.33Å; M4-Q144 HydrophobicContact SD-CG 3.76Å; R5-Q144 VanDerWaalsContact CB-OE1 3.31Å; R5-Q144 PolarHBondContact O-N 3.17Å; R5-Q144 VanDerWaalsContact O-N 3.08Å; R5-Q144 PolarHBondContact O-OE1 3.13Å; E125-Q144 HydrophobicContact CG-CG 4.18Å; E125-Q144 PolarHBondContact OE1-NE2 3.5Å; Q144-T367 WeakPolarHBondContact O-CB 3.22Å; Q144-T367 WeakPolarHBondContact O-CG2 3.38Å
145A98.6Very high96.5Very high0 Ų047.5 Ų47.50%027%0.271CS..EExtended strand (participates in β ladder)trans-151.9156.3174.500000112.4R5 V6 A7 V143 F147 T367 L395R5-A145 PolarHBondContact O-N 2.74Å; V6-A145 WeakPolarHBondContact CA-O 3.38Å; V6-A145 HydrophobicContact CG1-CB 4.28Å; V6-A145 HydrophobicContact CG2-CB 4.33Å; A7-A145 PolarHBondContact N-O 3.41Å; V143-A145 WeakPolarHBondContact CG2-O 3.29Å; A145-F147 HydrophobicContact CB-CE1 4.25Å; A145-T367 CarbonylContact C-O 3.57Å; A145-T367 WeakPolarHBondContact CA-O 3.41Å; A145-T367 WeakPolarHBondContact CB-O 3.25Å; A145-L395 HydrophobicContact CB-CD1 4.01Å; A145-L395 HydrophobicContact CB-CD2 3.63Å
146V98.8Very high96.4Very high0 Ų045.7 Ų45.70%026%0.26CS..EExtended strand (participates in β ladder)trans-132.4114.9179.4-176.30000110.3A7 I9 I114 W126 V128 V143 L148 T367 M368A7-V146 HydrophobicContact CB-CG2 4.34Å; A7-V146 CarbonylContact O-C 3.59Å; A7-V146 VanDerWaalsContact O-CA 3.3Å; A7-V146 WeakPolarHBondContact O-CA 3.31Å; I9-V146 HydrophobicContact CD1-CG1 4.12Å; I9-V146 HydrophobicContact CG1-CG1 3.98Å; I114-V146 HydrophobicContact CD1-CG1 3.62Å; I114-V146 HydrophobicContact CG1-CG1 4.49Å; I114-V146 HydrophobicContact CG2-CG2 4.23Å; W126-V146 HydrophobicContact CB-CG2 3.6Å; W126-V146 HydrophobicContact CG-CG2 3.74Å; V128-V146 HydrophobicContact CG2-CG2 3.88Å; V143-V146 HydrophobicContact CG2-CG2 3.74Å; V146-L148 HydrophobicContact CG1-CD2 3.92Å; V146-T367 PolarHBondContact N-O 3.26Å; V146-M368 HydrophobicContact CB-CG 4.39Å; V146-M368 VanDerWaalsContact O-CA 3.28Å; V146-M368 WeakPolarHBondContact O-CA 3.27Å
147F98.9Very high96.3Very high0 Ų045.1 Ų45.10%025%0.251CS..EExtended strand (participates in β ladder)trans-96.2121178.6-7427.2000109.6V6 A7 I8 I9 A18 A145 C149 P369 I371 A391 L395V6-F147 HydrophobicContact CG1-CD1 3.56Å; V6-F147 HydrophobicContact CG1-CE1 3.71Å; V6-F147 HydrophobicContact CG1-CG 4.04Å; V6-F147 HydrophobicContact CG1-CZ 4.28Å; A7-F147 PolarHBondContact O-N 2.83Å; I8-F147 HydrophobicContact CG1-CB 4.15Å; I9-F147 PolarHBondContact N-O 2.83Å; A18-F147 HydrophobicContact CB-CD2 3.94Å; A145-F147 HydrophobicContact CB-CE1 4.25Å; F147-C149 PolarHBondContact O-N 2.93Å; F147-P369 HydrophobicContact CB-CG 4.4Å; F147-P369 HydrophobicContact CD1-CG 3.34Å; F147-P369 HydrophobicContact CD2-CG 4.14Å; F147-P369 HydrophobicContact CE1-CG 3.5Å; F147-P369 HydrophobicContact CE2-CG 4.28Å; F147-P369 HydrophobicContact CG-CG 3.7Å; F147-P369 HydrophobicContact CZ-CG 3.99Å; F147-I371 HydrophobicContact CD2-CG1 4.38Å; F147-A391 HydrophobicContact CE1-CB 4.43Å; F147-A391 HydrophobicContact CE2-CB 3.74Å; F147-A391 HydrophobicContact CZ-CB 3.64Å; F147-L395 HydrophobicContact CE1-CD2 4.23Å; F147-L395 HydrophobicContact CZ-CD2 4.47Å
148L98.6Very high96.2Very high1 Ų143.2 Ų43.21%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-90.596.6-176.7-54.2178.2000109.9I9 I114 V146 F336 Y338 L339 I344 M368 P369 V370 I371I9-L148 HydrophobicContact CG1-CD2 4.16Å; I114-L148 HydrophobicContact CD1-CD2 4.22Å; V146-L148 HydrophobicContact CG1-CD2 3.92Å; L148-F336 HydrophobicContact CB-CE1 4.24Å; L148-F336 HydrophobicContact CD1-CD1 4.19Å; L148-F336 HydrophobicContact CD1-CE1 4.09Å; L148-Y338 HydrophobicContact CD2-CE2 3.76Å; L148-L339 HydrophobicContact CD1-CD1 3.63Å; L148-L339 HydrophobicContact CD2-CD1 4.47Å; L148-I344 HydrophobicContact CD1-CD1 3.45Å; L148-I344 VanDerWaalsContact CD1-CD1 3.45Å; L148-M368 HydrophobicContact CD1-CG 3.95Å; L148-M368 HydrophobicContact CD1-SD 3.98Å; L148-M368 HydrophobicContact CG-CG 4.13Å; L148-P369 PolarHBondContact N-O 3.4Å; L148-V370 HydrophobicContact CB-CG2 4.31Å; L148-V370 HydrophobicContact CD1-CG2 3.9Å; L148-I371 PolarHBondContact O-N 3.19Å
149C98.4Very high95.9Very high6 Ų636.8 Ų36.84%0.04122%0.218CC..  trans-112.722.8-171.4-66.30000113.4I8 I9 F147I8-C149 HydrophobicContact CG2-CB 4.24Å; I9-C149 CarbonylContact O-C 3.42Å; I9-C149 VanDerWaalsContact O-CA 3.22Å; I9-C149 WeakPolarHBondContact O-CA 3.39Å; I9-C149 VanDerWaalsContact O-CB 3.23Å; I9-C149 WeakPolarHBondContact O-CB 3.4Å; I9-C149 PolarHBondContact O-N 3.36Å; F147-C149 PolarHBondContact O-N 2.93Å
150T95.5Very high95.7Very high60 Ų6042.8 Ų42.837%0.36824%0.239SC..  trans-81.2-13.9-169.648.30000114.8I9 Y338I9-T150 HydrophobicContact CB-CG2 4.06Å; I9-T150 HydrophobicContact CG2-CG2 3.58Å; I9-T150 WeakPolarHBondContact O-CG2 3.48Å; I9-T150 PolarHBondContact O-N 3.18Å; T150-Y338 HydrophobicContact CG2-CE1 3.95Å; T150-Y338 WeakPolarHBondContact CG2-OH 3.04Å; T150-Y338 PolarHBondContact OG1-OH 3.25Å
151G92.7Very high95.6Very high32 Ų3240 Ų4033%0.3322%0.217SC..  trans66.1-164.5-173.500000112.2
152H92.1Very high95.6Very high27 Ų2745.4 Ų45.413%0.12524%0.239CC..SBendtrans-136.517.5-174.465.6-77.4000113.9Y332 I334 L373H152-Y332 WeakPolarHBondContact O-CB 3.43Å; H152-I334 HydrophobicContact CB-CG1 3.94Å; H152-L373 HydrophobicContact CB-CD1 3.6Å
153H90.1Very high95.5Very high61 Ų6143.2 Ų43.228%0.28223%0.228SC..  trans-101.718.8-177.4-62.1-54.5000113.2L41 G53 Y332L41-H153 HydrophobicContact CD1-CB 4.2Å; G53-H153 VanDerWaalsContact CA-O 3.32Å; G53-H153 WeakPolarHBondContact CA-O 3.39Å; H153-Y332 VanDerWaalsContact C-CD1 3.48Å; H153-Y332 HydrophobicContact CB-CD1 4.49Å; H153-Y332 HydrophobicContact CB-CD2 4.44Å; H153-Y332 HydrophobicContact CB-CE1 4.41Å; H153-Y332 HydrophobicContact CB-CE2 4.37Å; H153-Y332 AromaticContact ND1-CD2 3.41Å; H153-Y332 WeakPolarHBondContact ND1-CD2 3.49Å; H153-Y332 AromaticContact ND1-CE2 3.7Å; H153-Y332 WeakPolarHBondContact O-CD1 3.36Å; H153-Y332 WeakPolarHBondContact O-CE1 3.31Å
154G89.3Confident95.5Very high16 Ų1643.3 Ų43.317%0.16523%0.228CC..SBendtrans-90.5-35.1-178.200000114.2G51 P156G51-G154 CarbonylContact C-O 3.52Å; G51-G154 VanDerWaalsContact CA-O 3.32Å; G51-G154 WeakPolarHBondContact CA-O 3.29Å; G51-G154 WeakPolarHBondContact O-CA 3.4Å; G154-P156 WeakPolarHBondContact O-CD 3.37Å
155S93.8Very high95.4Very high33 Ų3345.1 Ų45.123%0.23124%0.237CC..EExtended strand (participates in β ladder)trans-108.2101.2-173.5-60.40000111.3Y332 E333 T335S155-Y332 CarbonylContact O-C 3.47Å; S155-Y332 WeakPolarHBondContact O-CA 3.38Å; S155-Y332 WeakPolarHBondContact O-CB 3.26Å; S155-Y332 WeakPolarHBondContact O-CD1 3.43Å; S155-E333 PolarHBondContact O-N 3.48Å; S155-T335 PolarHBondContact OG-OG1 2.88Å; S155-T335 VanDerWaalsContact OG-OG1 3.05Å
156P95.2Very high95.3Very high43 Ų4351.2 Ų51.228%0.27927%0.274SS..EExtended strand (participates in β ladder)trans-60.2137.2179.2-26.438.1000113.1G154 H174 H176G154-P156 WeakPolarHBondContact O-CD 3.37Å; P156-H174 HydrophobicContact CB-CB 4.03Å; P156-H176 HydrophobicContact CB-CB 4.44Å; P156-H176 HydrophobicContact CG-CB 3.69Å
157Y94.6Very high95.1Very high96 Ų9653.2 Ų53.238%0.37629%0.288SS..  trans-92.6111.6168.9175.6-109.6000110.1P159 T330 G331 E333Y157-P159 HydrophobicContact CE1-CB 4Å; Y157-P159 HydrophobicContact CE1-CG 4.44Å; Y157-P159 WeakPolarHBondContact O-CD 3.46Å; Y157-T330 WeakPolarHBondContact O-CB 3.4Å; Y157-T330 PolarHBondContact O-OG1 3.19Å; Y157-G331 PolarHBondContact N-O 3.41Å; Y157-E333 HydrophobicContact CD2-CG 4.15Å
158I94.8Very high95Very high84 Ų8454.1 Ų54.143%0.43129%0.292SS..  trans-105.2104.2178.8-58.8179.2000108.8L328I158-L328 HydrophobicContact CG2-CD1 3.87Å
159P93.5Very high95Very high18 Ų1859.8 Ų59.812%0.11732%0.318CS..  trans-70.1151.4177.528.3-34.9000112.3Y157 L161 Q165 T330Y157-P159 HydrophobicContact CE1-CB 4Å; Y157-P159 HydrophobicContact CE1-CG 4.44Å; Y157-P159 WeakPolarHBondContact O-CD 3.46Å; P159-L161 HydrophobicContact CB-CD2 4.45Å; P159-L161 HydrophobicContact CB-CG 4.44Å; P159-L161 HydrophobicContact CG-CD1 4.33Å; P159-L161 HydrophobicContact CG-CD2 4.38Å; P159-L161 HydrophobicContact CG-CG 4.12Å; P159-L161 PolarHBondContact O-N 2.78Å; P159-Q165 PolarHBondContact O-NE2 2.81Å; P159-T330 WeakPolarHBondContact CD-OG1 3.46Å; P159-T330 HydrophobicContact CG-CG2 3.78Å
160E94Very high94.9Very high188 Ų18860.6 Ų60.688%0.87933%0.328SS*.  trans-74.5101.9167.3-65.8-172.5173.500109.4
161L96.1Very high95Very high31 Ų3164 Ų6416%0.16234%0.34CS..  trans-104.1125.8176.6-63.5177.7000108.7P159 G163 L164 Q165 I304 F307 L328P159-L161 HydrophobicContact CB-CD2 4.45Å; P159-L161 HydrophobicContact CB-CG 4.44Å; P159-L161 HydrophobicContact CG-CD1 4.33Å; P159-L161 HydrophobicContact CG-CD2 4.38Å; P159-L161 HydrophobicContact CG-CG 4.12Å; P159-L161 PolarHBondContact O-N 2.78Å; L161-G163 PolarHBondContact O-N 3.49Å; L161-L164 HydrophobicContact CB-CB 3.97Å; L161-L164 HydrophobicContact CB-CD2 4.18Å; L161-L164 HydrophobicContact CD1-CD2 3.98Å; L161-L164 HydrophobicContact CG-CD2 4.5Å; L161-L164 WeakPolarHBondContact O-CB 3.25Å; L161-L164 PolarHBondContact O-N 3.02Å; L161-Q165 PolarHBondContact O-OE1 2.62Å; L161-I304 HydrophobicContact CD1-CD1 4.22Å; L161-F307 HydrophobicContact CB-CD2 4.33Å; L161-F307 HydrophobicContact CB-CE2 3.95Å; L161-F307 HydrophobicContact CD1-CE2 4.04Å; L161-L328 HydrophobicContact CD1-CD2 3.89Å
162K97.6Very high95.2Very high158 Ų15866.4 Ų66.469%0.68734%0.341SS*.THydrogen-bonded Turntrans-52.9116.3-174.4-178.1175.3173.8-171.90111S306 F307K162-S306 CarbonylContact O-C 3.53Å; K162-S306 WeakPolarHBondContact O-CA 3.32Å; K162-F307 PolarHBondContact O-N 3.19Å
163G97.3Very high95.5Very high10 Ų1067.2 Ų67.210%0.10335%0.346CS..THydrogen-bonded Turntrans88.1-12.9177.400000115.8L161 T166 S167 F168L161-G163 PolarHBondContact O-N 3.49Å; G163-T166 WeakPolarHBondContact CA-OG1 3.42Å; G163-S167 VanDerWaalsContact CA-OG 3.26Å; G163-S167 WeakPolarHBondContact CA-OG 3.29Å; G163-S167 PolarHBondContact O-N 2.64Å; G163-S167 PolarHBondContact O-OG 3.26Å; G163-F168 PolarHBondContact O-N 2.72Å
164L97.4Very high95.8Very high1 Ų164.6 Ų64.61%0.00533%0.333CS..THydrogen-bonded Turntrans-67.3-54.4-176.2-179.860.5000111.7L161 T166 F168 F172 F307 V326 L328L161-L164 HydrophobicContact CB-CB 3.97Å; L161-L164 HydrophobicContact CB-CD2 4.18Å; L161-L164 HydrophobicContact CD1-CD2 3.98Å; L161-L164 HydrophobicContact CG-CD2 4.5Å; L161-L164 WeakPolarHBondContact O-CB 3.25Å; L161-L164 PolarHBondContact O-N 3.02Å; L164-T166 VanDerWaalsContact C-N 3.33Å; L164-F168 HydrophobicContact CD1-CB 4.38Å; L164-F168 HydrophobicContact CD1-CD1 3.84Å; L164-F168 HydrophobicContact CD1-CE1 4.46Å; L164-F168 HydrophobicContact CD1-CG 4.28Å; L164-F168 WeakPolarHBondContact O-CB 3.46Å; L164-F172 HydrophobicContact CD1-CB 3.82Å; L164-F172 HydrophobicContact CD1-CD1 4.27Å; L164-F172 HydrophobicContact CD1-CG 4.05Å; L164-F172 HydrophobicContact CD2-CD2 4.29Å; L164-F172 HydrophobicContact CD2-CG 4.36Å; L164-F172 HydrophobicContact CG-CB 4.38Å; L164-F172 HydrophobicContact CG-CD1 4.32Å; L164-F172 HydrophobicContact CG-CD2 4.45Å; L164-F172 HydrophobicContact CG-CG 4.13Å; L164-F307 HydrophobicContact CB-CD2 3.58Å; L164-F307 HydrophobicContact CB-CE2 3.77Å; L164-F307 HydrophobicContact CB-CG 4.15Å; L164-F307 HydrophobicContact CD1-CD1 4.11Å; L164-F307 HydrophobicContact CD1-CD2 4.19Å; L164-F307 HydrophobicContact CD1-CE1 3.94Å; L164-F307 HydrophobicContact CD1-CE2 3.98Å; L164-F307 HydrophobicContact CD1-CG 4.23Å; L164-F307 HydrophobicContact CD1-CZ 3.85Å; L164-F307 HydrophobicContact CD2-CE2 4.2Å; L164-F307 HydrophobicContact CD2-CZ 4.44Å; L164-F307 HydrophobicContact CG-CD2 4.39Å; L164-F307 HydrophobicContact CG-CE2 4.21Å; L164-V326 HydrophobicContact CD1-CB 4.24Å; L164-V326 HydrophobicContact CD1-CG1 4.28Å; L164-V326 HydrophobicContact CD1-CG2 4.12Å; L164-L328 HydrophobicContact CD2-CD1 4.17Å; L164-L328 HydrophobicContact CD2-CD2 4.06Å
165Q96Very high96.2Very high83 Ų8364.1 Ų64.139%0.38833%0.328SS..THydrogen-bonded Turntrans-79.5-15.7-178.9-64.488.4-17.800113.3P159 L161 F172P159-Q165 PolarHBondContact O-NE2 2.81Å; L161-Q165 PolarHBondContact O-OE1 2.62Å; Q165-F172 HydrophobicContact CG-CE1 4.49Å; Q165-F172 HydrophobicContact CG-CZ 3.98Å
166T95.8Very high96.3Very high127 Ų12763 Ų6378%0.77932%0.319SS*.THydrogen-bonded Turntrans-111.1-31.6-169.154.60000114.8G163 L164G163-T166 WeakPolarHBondContact CA-OG1 3.42Å; L164-T166 VanDerWaalsContact C-N 3.33Å
167S94.7Very high96.3Very high43 Ų4363.2 Ų63.230%0.30132%0.322SS..THydrogen-bonded Turntrans-131-26.9-169.767.40000115G163 E169 K309G163-S167 VanDerWaalsContact CA-OG 3.26Å; G163-S167 WeakPolarHBondContact CA-OG 3.29Å; G163-S167 PolarHBondContact O-N 2.64Å; G163-S167 PolarHBondContact O-OG 3.26Å; S167-E169 PolarHBondContact O-N 3.25Å; S167-K309 WeakPolarHBondContact O-CA 3.38Å
168F98.1Very high96.5Very high19 Ų1958.8 Ų58.88%0.08330%0.304CS..  trans-66.8122.4180-177.9-112.3000110.4G163 L164 G170 F307 I323 V326G163-F168 PolarHBondContact O-N 2.72Å; L164-F168 HydrophobicContact CD1-CB 4.38Å; L164-F168 HydrophobicContact CD1-CD1 3.84Å; L164-F168 HydrophobicContact CD1-CE1 4.46Å; L164-F168 HydrophobicContact CD1-CG 4.28Å; L164-F168 WeakPolarHBondContact O-CB 3.46Å; F168-G170 WeakPolarHBondContact CD1-O 3.2Å; F168-G170 WeakPolarHBondContact CE1-O 3.22Å; F168-F307 HydrophobicContact CB-CB 4.22Å; F168-F307 AromaticContact CD2-CD1 3.93Å; F168-F307 HydrophobicContact CD2-CD1 3.93Å; F168-F307 HydrophobicContact CE2-CD1 4.35Å; F168-F307 HydrophobicContact CG-CD1 4.18Å; F168-I323 HydrophobicContact CE2-CB 4.08Å; F168-I323 HydrophobicContact CE2-CG2 4.31Å; F168-I323 WeakPolarHBondContact CE2-O 3.29Å; F168-I323 HydrophobicContact CZ-CB 4.16Å; F168-I323 HydrophobicContact CZ-CG2 3.93Å; F168-I323 VanDerWaalsContact CZ-O 3.22Å; F168-I323 WeakPolarHBondContact CZ-O 3.48Å; F168-V326 HydrophobicContact CD1-CG2 4.34Å; F168-V326 HydrophobicContact CE1-CB 4.48Å; F168-V326 HydrophobicContact CE1-CG2 3.59Å; F168-V326 HydrophobicContact CE2-CG2 4.47Å; F168-V326 HydrophobicContact CZ-CG2 3.68Å
169E97.6Very high96.5Very high119 Ų11955.6 Ų55.656%0.55629%0.287SS*.  trans-86.9-11.8-177.1-62.7176.1174.500112.4S167 K309 K310S167-E169 PolarHBondContact O-N 3.25Å; E169-K309 VanDerWaalsContact CB-O 3.31Å; E169-K309 WeakPolarHBondContact CB-O 3.47Å; E169-K309 HydrophobicContact CG-CB 4.22Å; E169-K309 WeakPolarHBondContact CG-O 3.39Å; E169-K309 PolarHBondContact N-O 2.93Å; E169-K310 WeakPolarHBondContact OE2-CE 3.36Å
170G97.2Very high96.7Very high23 Ų2356 Ų5624%0.23729%0.289CS..SBendtrans-77.9175.317500000112.8F168F168-G170 WeakPolarHBondContact CD1-O 3.2Å; F168-G170 WeakPolarHBondContact CE1-O 3.22Å
171Q97.3Very high96.9Very high133 Ų13348 Ų4862%0.62125%0.253SS*.EExtended strand (participates in β ladder)trans-81.2143.9176.6-63-1802.100110.3D324 V325 V326Q171-D324 PolarHBondContact N-O 3.34Å; Q171-V325 HydrophobicContact CB-CG1 4.33Å; Q171-V325 HydrophobicContact CB-CG2 4.38Å; Q171-V325 CarbonylContact O-C 3.47Å; Q171-V325 WeakPolarHBondContact O-CA 3.41Å; Q171-V326 PolarHBondContact O-N 3.18Å
172F97.3Very high96.9Very high82 Ų8254.7 Ų54.736%0.3628%0.281SS..EExtended strand (participates in β ladder)trans-130.9150.1165.178.4-87.7000110.9L164 Q165 V326 L328L164-F172 HydrophobicContact CD1-CB 3.82Å; L164-F172 HydrophobicContact CD1-CD1 4.27Å; L164-F172 HydrophobicContact CD1-CG 4.05Å; L164-F172 HydrophobicContact CD2-CD2 4.29Å; L164-F172 HydrophobicContact CD2-CG 4.36Å; L164-F172 HydrophobicContact CG-CB 4.38Å; L164-F172 HydrophobicContact CG-CD1 4.32Å; L164-F172 HydrophobicContact CG-CD2 4.45Å; L164-F172 HydrophobicContact CG-CG 4.13Å; Q165-F172 HydrophobicContact CG-CE1 4.49Å; Q165-F172 HydrophobicContact CG-CZ 3.98Å; F172-V326 CarbonylContact C-O 3.57Å; F172-V326 VanDerWaalsContact CA-O 3.22Å; F172-V326 WeakPolarHBondContact CA-O 3.48Å; F172-V326 HydrophobicContact CB-CB 3.9Å; F172-L328 HydrophobicContact CD2-CD1 4.29Å
173M97Very high96.9Very high44 Ų4449.7 Ų49.722%0.21727%0.274CS..EExtended strand (participates in β ladder)trans-152.3162.5179.663.5-17870.200110.8F184 V325 V326 I327 L328M173-F184 HydrophobicContact CE-CZ 4.1Å; M173-F184 HydrophobicContact SD-CZ 4.05Å; M173-V325 HydrophobicContact CE-CG1 4.04Å; M173-V326 PolarHBondContact N-O 2.9Å; M173-I327 HydrophobicContact CG-CG1 4.09Å; M173-I327 HydrophobicContact CG-CG2 4.48Å; M173-I327 CarbonylContact O-C 3.53Å; M173-I327 WeakPolarHBondContact O-CA 3.46Å; M173-I327 HydrophobicContact SD-CG1 4.44Å; M173-L328 PolarHBondContact O-N 2.78Å
174H97.5Very high96.9Very high5 Ų550 Ų502%0.02327%0.273CS..EExtended strand (participates in β ladder)trans-88.7155.8167.6-170.5-99.6000110.9P156 H176 S177 L328 T330 G331 Y332P156-H174 HydrophobicContact CB-CB 4.03Å; H174-H176 HydrophobicContact CB-CB 4.5Å; H174-H176 VanDerWaalsContact ND1-CB 3.34Å; H174-H176 WeakPolarHBondContact ND1-CB 3.3Å; H174-H176 PolarHBondContact ND1-N 3.16Å; H174-H176 VanDerWaalsContact ND1-N 3.12Å; H174-H176 PolarHBondContact O-N 3.12Å; H174-S177 PolarHBondContact O-N 3.02Å; H174-L328 CarbonylContact C-O 3.08Å; H174-L328 WeakPolarHBondContact CA-O 3.39Å; H174-L328 PolarHBondContact CD2-O 2.91Å; H174-L328 PolarHBondContact NE2-O 2.97Å; H174-T330 PolarHBondContact CD2-OG1 2.88Å; H174-G331 PolarHBondContact CE1-O 3.21Å; H174-G331 PolarHBondContact NE2-N 3.43Å; H174-G331 PolarHBondContact NE2-O 3.16Å; H174-Y332 AromaticContact CE1-CE1 3.97Å; H174-Y332 AromaticContact CE1-CZ 3.81Å
175S97.2Very high96.9Very high7 Ų754.2 Ų54.25%0.04929%0.292CS..G310 helixtrans-56.6-22.4175.965.40000113.2S177 Y178 L328S175-S177 PolarHBondContact O-N 3.33Å; S175-Y178 PolarHBondContact O-N 3.24Å; S175-L328 PolarHBondContact N-O 3.38Å
176H96.1Very high97Very high8 Ų856.9 Ų56.94%0.03731%0.309CS..G310 helixtrans-60-28.7172.1178.195.9000113.2R52 P156 H174 R179 Y332R52-H176 VanDerWaalsContact C-CE1 3.45Å; R52-H176 PolarHBondContact O-CE1 3.24Å; P156-H176 HydrophobicContact CB-CB 4.44Å; P156-H176 HydrophobicContact CG-CB 3.69Å; H174-H176 HydrophobicContact CB-CB 4.5Å; H174-H176 VanDerWaalsContact ND1-CB 3.34Å; H174-H176 WeakPolarHBondContact ND1-CB 3.3Å; H174-H176 PolarHBondContact ND1-N 3.16Å; H174-H176 VanDerWaalsContact ND1-N 3.12Å; H174-H176 PolarHBondContact O-N 3.12Å; H176-R179 PolarHBondContact O-NH1 3.01Å; H176-Y332 HydrophobicContact CB-CE1 3.93Å; H176-Y332 AromaticContact ND1-CE1 3.78Å
177S96.1Very high97.1Very high49 Ų4954.4 Ų54.434%0.34329%0.288SS..G310 helixtrans-93.3-11.6-179.8-52.80000113V48 H174 S175V48-S177 WeakPolarHBondContact CG2-O 3.22Å; H174-S177 PolarHBondContact O-N 3.02Å; S175-S177 PolarHBondContact O-N 3.33Å
178Y97.2Very high97.3Very high3 Ų354.9 Ų54.91%0.01228%0.283CS..  trans-76.4140.2178-178.4-91.4000111.2M56 S175 T180 P181 F184 I201 E204 L205 I327M56-Y178 HydrophobicContact CB-CD1 4.45Å; M56-Y178 HydrophobicContact CE-CD1 4.35Å; M56-Y178 HydrophobicContact CG-CD1 3.82Å; M56-Y178 HydrophobicContact CG-CE1 4.27Å; M56-Y178 HydrophobicContact SD-CD1 3.63Å; M56-Y178 HydrophobicContact SD-CE1 3.88Å; S175-Y178 PolarHBondContact O-N 3.24Å; Y178-T180 WeakPolarHBondContact CE2-O 3.11Å; Y178-P181 WeakPolarHBondContact OH-CA 3.25Å; Y178-F184 AromaticContact CD2-CE2 3.81Å; Y178-F184 HydrophobicContact CD2-CE2 3.81Å; Y178-F184 AromaticContact CD2-CZ 3.89Å; Y178-F184 HydrophobicContact CD2-CZ 3.89Å; Y178-F184 HydrophobicContact CE2-CD2 4.14Å; Y178-F184 AromaticContact CE2-CE2 3.64Å; Y178-F184 HydrophobicContact CE2-CE2 3.64Å; Y178-F184 HydrophobicContact CE2-CZ 4.04Å; Y178-I201 HydrophobicContact CD1-CD1 3.86Å; Y178-I201 HydrophobicContact CD1-CG1 3.64Å; Y178-I201 HydrophobicContact CD2-CG2 4.48Å; Y178-I201 HydrophobicContact CE1-CG1 3.91Å; Y178-I201 HydrophobicContact CE2-CG2 4.42Å; Y178-I201 HydrophobicContact CG-CD1 3.88Å; Y178-I201 HydrophobicContact CG-CG1 4.06Å; Y178-E204 VanDerWaalsContact CE1-OE2 3.23Å; Y178-E204 WeakPolarHBondContact CE1-OE2 3.47Å; Y178-E204 VanDerWaalsContact CZ-OE2 3.29Å; Y178-E204 PolarHBondContact OH-OE2 3.33Å; Y178-L205 HydrophobicContact CE2-CD1 4.08Å; Y178-L205 HydrophobicContact CE2-CD2 3.95Å; Y178-L205 HydrophobicContact CE2-CG 4.1Å; Y178-I327 HydrophobicContact CD2-CD1 4.13Å
179R96.5Very high97.3Very high17 Ų1754 Ų546%0.06428%0.279CS..  trans-133.5-44.3-179.7-68.4-64.9-178.5-84.4-3.7114.1Y44 N45 R57 H176Y44-R179 HydrophobicContact CE2-CB 4.34Å; N45-R179 WeakPolarHBondContact O-CD 3.45Å; N45-R179 PolarHBondContact O-NE 2.92Å; R57-R179 WeakPolarHBondContact CB-O 3.35Å; R57-R179 PolarHBondContact N-O 3.03Å; H176-R179 PolarHBondContact O-NH1 3.01Å
180T97.6Very high97.3Very high27 Ų2748.3 Ų48.317%0.16625%0.253CS..  trans-148.8161.3-174.476.40000109.5R57 Y178 K182R57-T180 HydrophobicContact CB-CG2 3.93Å; Y178-T180 WeakPolarHBondContact CE2-O 3.11Å; T180-K182 PolarHBondContact O-N 3.02Å; T180-K182 WeakPolarHBondContact OG1-CB 3.46Å; T180-K182 PolarHBondContact OG1-N 3.09Å
181P97.6Very high97.4Very high20 Ų2047.2 Ų47.213%0.1324%0.241CC..SBendtrans-73.4-6.2176.529.3-36.3000114.2Y178 G183 F184 E204 L205 H208Y178-P181 WeakPolarHBondContact OH-CA 3.25Å; P181-G183 PolarHBondContact O-N 3.15Å; P181-F184 WeakPolarHBondContact O-CB 3.4Å; P181-F184 PolarHBondContact O-N 3.06Å; P181-F184 VanDerWaalsContact O-N 3.16Å; P181-E204 HydrophobicContact CB-CG 4.36Å; P181-E204 HydrophobicContact CG-CG 4.28Å; P181-L205 HydrophobicContact CB-CD2 3.92Å; P181-H208 HydrophobicContact CB-CB 3.86Å; P181-H208 WeakPolarHBondContact CB-CD2 3.33Å
182K96.5Very high97.5Very high170 Ų17041.4 Ų41.474%0.73922%0.215SC*.THydrogen-bonded Turntrans-62131.5179.8-175.1-178.2177.8-176.70110.6T180T180-K182 PolarHBondContact O-N 3.02Å; T180-K182 WeakPolarHBondContact OG1-CB 3.46Å; T180-K182 PolarHBondContact OG1-N 3.09Å
183G95.9Very high97.4Very high53 Ų5338.4 Ų38.455%0.54621%0.207SC..THydrogen-bonded Turntrans93.8-6-177.200000113.7P181 E185P181-G183 PolarHBondContact O-N 3.15Å; G183-E185 WeakPolarHBondContact CA-OE2 3.4Å; G183-E185 PolarHBondContact N-OE2 3.03Å
184F98.1Very high97.4Very high17 Ų1737.1 Ų37.18%0.07520%0.2CC..  trans-100.1-0.1175.6-65.5-92.7000112.9M173 Y178 P181 N186 K187 V189 L205 A209 V325 I327M173-F184 HydrophobicContact CE-CZ 4.1Å; M173-F184 HydrophobicContact SD-CZ 4.05Å; Y178-F184 AromaticContact CD2-CE2 3.81Å; Y178-F184 HydrophobicContact CD2-CE2 3.81Å; Y178-F184 AromaticContact CD2-CZ 3.89Å; Y178-F184 HydrophobicContact CD2-CZ 3.89Å; Y178-F184 HydrophobicContact CE2-CD2 4.14Å; Y178-F184 AromaticContact CE2-CE2 3.64Å; Y178-F184 HydrophobicContact CE2-CE2 3.64Å; Y178-F184 HydrophobicContact CE2-CZ 4.04Å; P181-F184 WeakPolarHBondContact O-CB 3.4Å; P181-F184 PolarHBondContact O-N 3.06Å; P181-F184 VanDerWaalsContact O-N 3.16Å; F184-N186 PolarHBondContact O-N 3.18Å; F184-K187 VanDerWaalsContact O-CB 3.26Å; F184-K187 WeakPolarHBondContact O-CB 3.17Å; F184-K187 WeakPolarHBondContact O-CG 3.49Å; F184-K187 PolarHBondContact O-N 3.05Å; F184-K187 VanDerWaalsContact O-N 3.09Å; F184-V189 HydrophobicContact CD1-CG2 3.79Å; F184-L205 HydrophobicContact CB-CD2 3.57Å; F184-L205 HydrophobicContact CD1-CD1 4.02Å; F184-L205 HydrophobicContact CD1-CD2 4.13Å; F184-L205 HydrophobicContact CD2-CD2 3.87Å; F184-L205 HydrophobicContact CE1-CD1 4.22Å; F184-L205 HydrophobicContact CG-CD1 4.32Å; F184-L205 HydrophobicContact CG-CD2 3.59Å; F184-A209 VanDerWaalsContact O-CA 3.32Å; F184-A209 WeakPolarHBondContact O-CA 3.34Å; F184-V325 HydrophobicContact CD1-CB 4.5Å; F184-V325 HydrophobicContact CD1-CG2 4.34Å; F184-V325 HydrophobicContact CE1-CB 4.11Å; F184-V325 HydrophobicContact CE1-CG1 3.76Å; F184-V325 HydrophobicContact CE1-CG2 4.19Å; F184-I327 HydrophobicContact CE1-CD1 3.72Å; F184-I327 HydrophobicContact CE1-CG1 4.36Å; F184-I327 HydrophobicContact CZ-CD1 3.96Å
185E97.9Very high97.3Very high89 Ų8937.4 Ų37.442%0.41621%0.205SC..THydrogen-bonded Turntrans-57.3136.6175.9-62.182.1179.200110.7G183 K187G183-E185 WeakPolarHBondContact CA-OE2 3.4Å; G183-E185 PolarHBondContact N-OE2 3.03Å; E185-K187 PolarHBondContact O-N 2.66Å; E185-K187 VanDerWaalsContact O-N 3.09Å
186N96.7Very high97.2Very high139 Ų13938.8 Ų38.874%0.74321%0.211SC*.THydrogen-bonded Turntrans62.26.7-176.5-53.6-51.5000115.7F184F184-N186 PolarHBondContact O-N 3.18Å
187K98.3Very high97.2Very high76 Ų7640.3 Ų40.333%0.3322%0.223SC..  trans-87.8148.1179.9-58.6-54-165.7167.80112.8F184 E185 V189 A209 N210 K211 D324F184-K187 VanDerWaalsContact O-CB 3.26Å; F184-K187 WeakPolarHBondContact O-CB 3.17Å; F184-K187 WeakPolarHBondContact O-CG 3.49Å; F184-K187 PolarHBondContact O-N 3.05Å; F184-K187 VanDerWaalsContact O-N 3.09Å; E185-K187 PolarHBondContact O-N 2.66Å; E185-K187 VanDerWaalsContact O-N 3.09Å; K187-V189 HydrophobicContact CB-CG2 4.05Å; K187-A209 WeakPolarHBondContact O-CB 3.38Å; K187-N210 WeakPolarHBondContact O-CB 3.18Å; K187-N210 PolarHBondContact O-N 2.84Å; K187-K211 PolarHBondContact O-N 2.86Å; K187-D324 WeakPolarHBondContact CA-OD2 3.28Å; K187-D324 HydrophobicContact CB-CB 4.03Å; K187-D324 HydrophobicContact CD-CB 3.71Å; K187-D324 HydrophobicContact CG-CB 4.32Å; K187-D324 IonicContact NZ-OD1 3.15Å; K187-D324 PolarHBondContact NZ-OD1 2.91Å; K187-D324 VanDerWaalsContact NZ-OD1 3.15Å
188R98.6Very high97.3Very high52 Ų5238 Ų3820%0.19621%0.206CC..EExtended strand (participates in β ladder)trans-94.4116.5163.5-70173.856.285.2-3.3108.4K211 E320 D321 N322 I323 D324 V325R188-K211 WeakPolarHBondContact CA-O 3.47Å; R188-K211 HydrophobicContact CG-CB 4.14Å; R188-E320 IonicContact NH2-OE2 2.91Å; R188-E320 PolarHBondContact NH2-OE2 3.08Å; R188-D321 VanDerWaalsContact CZ-O 3.29Å; R188-D321 PolarHBondContact NE-O 3.44Å; R188-D321 PolarHBondContact NH2-O 3.39Å; R188-N322 VanDerWaalsContact CB-O 3.25Å; R188-N322 WeakPolarHBondContact CB-O 3.34Å; R188-N322 WeakPolarHBondContact CD-O 3.5Å; R188-N322 PolarHBondContact NE-O 3.07Å; R188-I323 HydrophobicContact CB-CD1 4.39Å; R188-D324 PolarHBondContact N-OD2 3.38Å; R188-D324 PolarHBondContact O-N 3.46Å; R188-V325 PolarHBondContact O-N 3.15Å
189V98.8Very high97.3Very high0 Ų037.8 Ų37.80%021%0.206CC..EExtended strand (participates in β ladder)trans-115.9133.8-170.6-174.40000110.4F184 K187 V191 L205 A209 K211 V212 F213 V325 I327F184-V189 HydrophobicContact CD1-CG2 3.79Å; K187-V189 HydrophobicContact CB-CG2 4.05Å; V189-V191 HydrophobicContact CG1-CG2 4.35Å; V189-L205 HydrophobicContact CG1-CD1 3.93Å; V189-L205 HydrophobicContact CG2-CD1 4.47Å; V189-A209 HydrophobicContact CG2-CB 4.01Å; V189-K211 PolarHBondContact N-O 3.35Å; V189-V212 CarbonylContact O-C 3.5Å; V189-V212 WeakPolarHBondContact O-CA 3.19Å; V189-F213 PolarHBondContact O-N 2.73Å; V189-V325 CarbonylContact C-O 3.54Å; V189-V325 VanDerWaalsContact CA-O 3.32Å; V189-V325 WeakPolarHBondContact CA-O 3.37Å; V189-V325 HydrophobicContact CG1-CB 4.45Å; V189-V325 HydrophobicContact CG2-CB 4.46Å; V189-I327 HydrophobicContact CG1-CD1 3.9Å; V189-I327 HydrophobicContact CG1-CG1 4.09Å
190L98.8Very high97.4Very high0 Ų038.9 Ų38.90%021%0.213CC..EExtended strand (participates in β ladder)trans-105.1117.8168.817866.6000109.9V192 F213 I304 F307 V312 F314 I323 V325 V326 I327L190-V192 HydrophobicContact CD2-CG2 4.08Å; L190-V192 HydrophobicContact CG-CG2 3.99Å; L190-F213 HydrophobicContact CD1-CB 3.67Å; L190-I304 HydrophobicContact CD2-CD1 3.99Å; L190-F307 HydrophobicContact CD2-CE1 3.85Å; L190-F307 HydrophobicContact CD2-CZ 3.92Å; L190-V312 HydrophobicContact CD2-CB 4.27Å; L190-V312 HydrophobicContact CD2-CG1 4.02Å; L190-V312 HydrophobicContact CD2-CG2 4.16Å; L190-F314 HydrophobicContact CD1-CE1 4.14Å; L190-F314 HydrophobicContact CD1-CZ 4Å; L190-I323 HydrophobicContact CB-CG2 3.96Å; L190-V325 PolarHBondContact N-O 2.94Å; L190-V326 HydrophobicContact CB-CG2 4.34Å; L190-V326 HydrophobicContact CD2-CG1 4.39Å; L190-V326 HydrophobicContact CD2-CG2 4.37Å; L190-V326 CarbonylContact O-C 3.53Å; L190-V326 WeakPolarHBondContact O-CA 3.38Å; L190-I327 PolarHBondContact O-N 3.37Å
191V98.8Very high97.4Very high0 Ų037.6 Ų37.60%021%0.205CC..EExtended strand (participates in β ladder)trans-97.2124.5171-178.50000108.7V189 A198 I201 A202 V212 F213 L214 S215 I327V189-V191 HydrophobicContact CG1-CG2 4.35Å; V191-A198 HydrophobicContact CG1-CB 4.12Å; V191-I201 HydrophobicContact CG2-CG2 4.01Å; V191-A202 HydrophobicContact CB-CB 4.32Å; V191-A202 HydrophobicContact CG1-CB 4.38Å; V191-A202 HydrophobicContact CG2-CB 4.15Å; V191-V212 HydrophobicContact CG2-CG1 4.03Å; V191-F213 PolarHBondContact N-O 3.4Å; V191-L214 HydrophobicContact CB-CD1 4.18Å; V191-L214 HydrophobicContact CG1-CD1 4.05Å; V191-L214 WeakPolarHBondContact O-CA 3.35Å; V191-S215 PolarHBondContact O-N 3.04Å; V191-I327 WeakPolarHBondContact CA-O 3.34Å
192V98.5Very high97.5Very high12 Ų1236.6 Ų36.67%0.07320%0.199CC..EExtended strand (participates in β ladder)trans-109113.5-176-173.10000110L190 I304 V326 I327 L328 C329 T330L190-V192 HydrophobicContact CD2-CG2 4.08Å; L190-V192 HydrophobicContact CG-CG2 3.99Å; V192-I304 HydrophobicContact CB-CD1 4.38Å; V192-I304 HydrophobicContact CG1-CD1 3.86Å; V192-I304 HydrophobicContact CG2-CD1 3.57Å; V192-V326 HydrophobicContact CG2-CG1 3.88Å; V192-I327 PolarHBondContact N-O 2.83Å; V192-L328 HydrophobicContact CB-CD2 4Å; V192-L328 HydrophobicContact CG1-CD2 4.46Å; V192-L328 HydrophobicContact CG2-CD2 4.01Å; V192-C329 CarbonylContact O-C 3.52Å; V192-C329 WeakPolarHBondContact O-CA 3.48Å; V192-C329 WeakPolarHBondContact O-CB 3.37Å; V192-C329 PolarHBondContact O-N 2.71Å; V192-T330 HydrophobicContact CG1-CG2 4.48Å
193G96.7Very high97.5Very high18 Ų1829 Ų2919%0.18617%0.167CC..  trans127.6171.7-179.800000112.7A198 L214 S215G193-A198 WeakPolarHBondContact O-CB 3.5Å; G193-L214 VanDerWaalsContact O-CD1 3.28Å; G193-L214 WeakPolarHBondContact O-CD1 3.29Å; G193-S215 PolarHBondContact N-O 3.47Å
194F95.9Very high97.6Very high18 Ų1828 Ų288%0.07915%0.147CC..  trans-14338.7-173.1-150.1-97.2000111.5M199 L214 T216 G220 T222 I272 T284 R427F194-M199 HydrophobicContact CD2-CE 3.93Å; F194-M199 HydrophobicContact CE2-CE 4.02Å; F194-M199 HydrophobicContact CG-CE 4.31Å; F194-M199 HydrophobicContact CZ-CE 4.42Å; F194-L214 HydrophobicContact CD2-CD2 4.06Å; F194-L214 HydrophobicContact CD2-CG 4.47Å; F194-L214 HydrophobicContact CE2-CD2 3.86Å; F194-T216 WeakPolarHBondContact CB-OG1 3.27Å; F194-T216 HydrophobicContact CD2-CG2 3.85Å; F194-T216 HydrophobicContact CE2-CG2 4.1Å; F194-G220 VanDerWaalsContact CE1-N 3.34Å; F194-T222 HydrophobicContact CE1-CG2 3.74Å; F194-T222 HydrophobicContact CZ-CG2 3.87Å; F194-I272 HydrophobicContact CE2-CB 4.38Å; F194-I272 HydrophobicContact CE2-CG2 3.9Å; F194-I272 HydrophobicContact CZ-CB 3.91Å; F194-I272 HydrophobicContact CZ-CD1 4.08Å; F194-I272 HydrophobicContact CZ-CG2 3.89Å; F194-T284 HydrophobicContact CD1-CG2 4.48Å; F194-T284 PolarHBondContact O-OG1 2.59Å; F194-R427 PolarHBondContact O-NH1 3.24Å; F194-R427 VanDerWaalsContact O-NH1 3.15Å
195G94.7Very high97.7Very high11 Ų1127.1 Ų27.111%0.11314%0.144CC..SBendtrans-99.7-177.417300000112.5S197 A198 M199G195-S197 VanDerWaalsContact C-N 3.33Å; G195-S197 PolarHBondContact O-N 3.14Å; G195-A198 WeakPolarHBondContact O-CB 3.24Å; G195-A198 PolarHBondContact O-N 3.28Å; G195-M199 PolarHBondContact O-N 3.46Å
196N95.7Very high97.7Very high35 Ų3523.5 Ų23.519%0.18713%0.128CC..Hα-helixtrans-57.2-44.5179.7-66.2-40.6000111.9A198 M199 D200 T284 L285N196-A198 VanDerWaalsContact C-N 3.3Å; N196-A198 PolarHBondContact O-N 3.01Å; N196-M199 WeakPolarHBondContact O-CB 3.46Å; N196-M199 PolarHBondContact O-N 3.45Å; N196-M199 VanDerWaalsContact O-N 3.14Å; N196-D200 PolarHBondContact O-N 2.81Å; N196-T284 WeakPolarHBondContact OD1-CA 3.4Å; N196-L285 PolarHBondContact OD1-N 2.93Å
197S96.9Very high97.7Very high40 Ų4023.4 Ų23.428%0.2812%0.117SC..Hα-helixtrans-61.7-35.6175.5-52.30000113.2G195 M199 I201G195-S197 VanDerWaalsContact C-N 3.33Å; G195-S197 PolarHBondContact O-N 3.14Å; S197-M199 VanDerWaalsContact C-N 3.34Å; S197-I201 WeakPolarHBondContact O-CB 3.43Å; S197-I201 VanDerWaalsContact O-CG1 3.25Å; S197-I201 WeakPolarHBondContact O-CG1 3.25Å; S197-I201 PolarHBondContact O-N 3.37Å
198A97.8Very high97.6Very high0 Ų023.8 Ų23.80%012%0.12CC..Hα-helixtrans-65.7-40.1176.300000111V191 G193 G195 N196 A202 L214 C329V191-A198 HydrophobicContact CG1-CB 4.12Å; G193-A198 WeakPolarHBondContact O-CB 3.5Å; G195-A198 WeakPolarHBondContact O-CB 3.24Å; G195-A198 PolarHBondContact O-N 3.28Å; N196-A198 VanDerWaalsContact C-N 3.3Å; N196-A198 PolarHBondContact O-N 3.01Å; A198-A202 WeakPolarHBondContact O-CB 3.07Å; A198-A202 PolarHBondContact O-N 3.22Å; A198-L214 HydrophobicContact CB-CD1 4.37Å; A198-C329 HydrophobicContact CB-CB 3.65Å
199M97.8Very high97.6Very high0 Ų022 Ų220%012%0.116CC..Hα-helixtrans-64.7-48.3176.4-63.5-57.594.500111.9F194 G195 N196 S197 T203 L214 T284 L285 L289F194-M199 HydrophobicContact CD2-CE 3.93Å; F194-M199 HydrophobicContact CE2-CE 4.02Å; F194-M199 HydrophobicContact CG-CE 4.31Å; F194-M199 HydrophobicContact CZ-CE 4.42Å; G195-M199 PolarHBondContact O-N 3.46Å; N196-M199 WeakPolarHBondContact O-CB 3.46Å; N196-M199 PolarHBondContact O-N 3.45Å; N196-M199 VanDerWaalsContact O-N 3.14Å; S197-M199 VanDerWaalsContact C-N 3.34Å; M199-T203 WeakPolarHBondContact O-CB 3.28Å; M199-T203 VanDerWaalsContact O-CG2 3.3Å; M199-T203 WeakPolarHBondContact O-CG2 3.41Å; M199-T203 PolarHBondContact O-N 2.9Å; M199-T203 PolarHBondContact O-OG1 2.91Å; M199-L214 HydrophobicContact CE-CD1 4.28Å; M199-L214 HydrophobicContact CE-CD2 3.7Å; M199-T284 HydrophobicContact CE-CG2 4.48Å; M199-T284 HydrophobicContact CG-CG2 3.29Å; M199-T284 HydrophobicContact SD-CG2 3.95Å; M199-L285 WeakPolarHBondContact CB-O 3.34Å; M199-L289 HydrophobicContact SD-CD1 4.07Å; M199-L289 HydrophobicContact SD-CD2 3.86Å; M199-L289 HydrophobicContact SD-CG 4.41Å
200D97.6Very high97.6Very high39 Ų3927 Ų2721%0.20914%0.143CC..Hα-helixtrans-59-52.6179.5-73.5-5000110.5M56 N196 T203 E204M56-D200 HydrophobicContact SD-CB 4.1Å; N196-D200 PolarHBondContact O-N 2.81Å; D200-T203 PolarHBondContact O-OG1 3.22Å; D200-E204 WeakPolarHBondContact O-CB 3.1Å; D200-E204 PolarHBondContact O-N 3.44Å
201I98.5Very high97.5Very high0 Ų029.5 Ų29.50%015%0.154CC..Hα-helixtrans-64.9-49.7-178.5-65.7176.5000111.4M56 Y178 V191 S197 T203 E204 L205 I327M56-I201 HydrophobicContact CE-CD1 3.5Å; M56-I201 VanDerWaalsContact CE-CD1 3.5Å; M56-I201 HydrophobicContact CE-CG1 3.44Å; M56-I201 VanDerWaalsContact CE-CG1 3.44Å; M56-I201 HydrophobicContact SD-CD1 4.17Å; M56-I201 HydrophobicContact SD-CG1 3.52Å; M56-I201 VanDerWaalsContact SD-CG1 3.52Å; Y178-I201 HydrophobicContact CD1-CD1 3.86Å; Y178-I201 HydrophobicContact CD1-CG1 3.64Å; Y178-I201 HydrophobicContact CD2-CG2 4.48Å; Y178-I201 HydrophobicContact CE1-CG1 3.91Å; Y178-I201 HydrophobicContact CE2-CG2 4.42Å; Y178-I201 HydrophobicContact CG-CD1 3.88Å; Y178-I201 HydrophobicContact CG-CG1 4.06Å; V191-I201 HydrophobicContact CG2-CG2 4.01Å; S197-I201 WeakPolarHBondContact O-CB 3.43Å; S197-I201 VanDerWaalsContact O-CG1 3.25Å; S197-I201 WeakPolarHBondContact O-CG1 3.25Å; S197-I201 PolarHBondContact O-N 3.37Å; I201-T203 VanDerWaalsContact C-N 3.34Å; I201-T203 PolarHBondContact O-N 3.37Å; I201-E204 PolarHBondContact O-N 2.96Å; I201-L205 HydrophobicContact CG2-CD1 3.64Å; I201-L205 HydrophobicContact CG2-CG 4.16Å; I201-L205 VanDerWaalsContact O-CB 3.27Å; I201-L205 WeakPolarHBondContact O-CB 3.29Å; I201-L205 WeakPolarHBondContact O-CG 3.26Å; I201-L205 PolarHBondContact O-N 3.06Å; I201-I327 HydrophobicContact CD1-CG2 3.93Å; I201-I327 HydrophobicContact CG2-CD1 3.66Å; I201-I327 HydrophobicContact CG2-CG2 4.35Å
202A98.6Very high97.5Very high0 Ų029.5 Ų29.50%015%0.154CC..Hα-helixtrans-64.1-41.2-175.400000111.7V191 A198 S206 V212 L214 L298V191-A202 HydrophobicContact CB-CB 4.32Å; V191-A202 HydrophobicContact CG1-CB 4.38Å; V191-A202 HydrophobicContact CG2-CB 4.15Å; A198-A202 WeakPolarHBondContact O-CB 3.07Å; A198-A202 PolarHBondContact O-N 3.22Å; A202-S206 VanDerWaalsContact O-CB 3.28Å; A202-S206 WeakPolarHBondContact O-CB 3.49Å; A202-S206 PolarHBondContact O-N 3.14Å; A202-V212 HydrophobicContact CB-CG1 4.4Å; A202-L214 HydrophobicContact CB-CD1 4.24Å; A202-L298 HydrophobicContact CB-CD1 3.88Å; A202-L298 HydrophobicContact CB-CD2 4.2Å
203T98.1Very high97.5Very high11 Ų1129 Ų297%0.06715%0.151CC..Hα-helixtrans-75-36.5179.360.30000112.7M199 D200 I201 S206 D288 L289 R292M199-T203 WeakPolarHBondContact O-CB 3.28Å; M199-T203 VanDerWaalsContact O-CG2 3.3Å; M199-T203 WeakPolarHBondContact O-CG2 3.41Å; M199-T203 PolarHBondContact O-N 2.9Å; M199-T203 PolarHBondContact O-OG1 2.91Å; D200-T203 PolarHBondContact O-OG1 3.22Å; I201-T203 VanDerWaalsContact C-N 3.34Å; I201-T203 PolarHBondContact O-N 3.37Å; T203-S206 PolarHBondContact O-OG 3.38Å; T203-D288 HydrophobicContact CG2-CB 4.13Å; T203-L289 HydrophobicContact CG2-CB 4.23Å; T203-L289 HydrophobicContact CG2-CD1 4.37Å; T203-R292 HydrophobicContact CG2-CG 4.09Å
204E97.9Very high97.6Very high30 Ų3028.2 Ų28.214%0.1414%0.142CC..Hα-helixtrans-64.5-54.7172.8-176174.3-120.300110.9S58 Y178 P181 D200 I201 S206 R207 H208S58-E204 WeakPolarHBondContact CB-OE1 3.42Å; S58-E204 VanDerWaalsContact OG-CD 3.31Å; S58-E204 PolarHBondContact OG-OE1 2.8Å; Y178-E204 VanDerWaalsContact CE1-OE2 3.23Å; Y178-E204 WeakPolarHBondContact CE1-OE2 3.47Å; Y178-E204 VanDerWaalsContact CZ-OE2 3.29Å; Y178-E204 PolarHBondContact OH-OE2 3.33Å; P181-E204 HydrophobicContact CB-CG 4.36Å; P181-E204 HydrophobicContact CG-CG 4.28Å; D200-E204 WeakPolarHBondContact O-CB 3.1Å; D200-E204 PolarHBondContact O-N 3.44Å; I201-E204 PolarHBondContact O-N 2.96Å; E204-S206 PolarHBondContact O-N 3.07Å; E204-R207 WeakPolarHBondContact O-CB 3.43Å; E204-R207 PolarHBondContact O-N 3.47Å; E204-H208 PolarHBondContact O-CD2 2.97Å
205L98.4Very high97.7Very high0 Ų027.4 Ų27.40%014%0.139CC..Hα-helixtrans-62.4-29-178.8-73.1-177.6000112.9Y178 P181 F184 V189 I201 R207 H208 A209 V212 I327Y178-L205 HydrophobicContact CE2-CD1 4.08Å; Y178-L205 HydrophobicContact CE2-CD2 3.95Å; Y178-L205 HydrophobicContact CE2-CG 4.1Å; P181-L205 HydrophobicContact CB-CD2 3.92Å; F184-L205 HydrophobicContact CB-CD2 3.57Å; F184-L205 HydrophobicContact CD1-CD1 4.02Å; F184-L205 HydrophobicContact CD1-CD2 4.13Å; F184-L205 HydrophobicContact CD2-CD2 3.87Å; F184-L205 HydrophobicContact CE1-CD1 4.22Å; F184-L205 HydrophobicContact CG-CD1 4.32Å; F184-L205 HydrophobicContact CG-CD2 3.59Å; V189-L205 HydrophobicContact CG1-CD1 3.93Å; V189-L205 HydrophobicContact CG2-CD1 4.47Å; I201-L205 HydrophobicContact CG2-CD1 3.64Å; I201-L205 HydrophobicContact CG2-CG 4.16Å; I201-L205 VanDerWaalsContact O-CB 3.27Å; I201-L205 WeakPolarHBondContact O-CB 3.29Å; I201-L205 WeakPolarHBondContact O-CG 3.26Å; I201-L205 PolarHBondContact O-N 3.06Å; L205-R207 PolarHBondContact O-N 3.23Å; L205-H208 PolarHBondContact O-N 2.64Å; L205-A209 HydrophobicContact CB-CB 4.47Å; L205-A209 WeakPolarHBondContact O-CB 3.2Å; L205-A209 PolarHBondContact O-N 3.43Å; L205-V212 HydrophobicContact CB-CG2 3.82Å; L205-I327 HydrophobicContact CD1-CD1 3.49Å; L205-I327 VanDerWaalsContact CD1-CD1 3.49Å
206S98.1Very high97.8Very high12 Ų1227.5 Ų27.58%0.08414%0.137CC..THydrogen-bonded Turntrans-61.7-10.8174.974.30000114A202 T203 E204 R292A202-S206 VanDerWaalsContact O-CB 3.28Å; A202-S206 WeakPolarHBondContact O-CB 3.49Å; A202-S206 PolarHBondContact O-N 3.14Å; T203-S206 PolarHBondContact O-OG 3.38Å; E204-S206 PolarHBondContact O-N 3.07Å; S206-R292 WeakPolarHBondContact OG-CD 3.47Å; S206-R292 VanDerWaalsContact OG-CG 3.22Å; S206-R292 WeakPolarHBondContact OG-CG 3.44Å
207R97.2Very high97.8Very high137 Ų13732.8 Ų32.852%0.51716%0.155SC..THydrogen-bonded Turntrans-95.2-12.4174.4-59.4171175.7-106.45.4113.6E204 L205 D288E204-R207 WeakPolarHBondContact O-CB 3.43Å; E204-R207 PolarHBondContact O-N 3.47Å; L205-R207 PolarHBondContact O-N 3.23Å; R207-D288 IonicContact CZ-OD2 2.59Å; R207-D288 IonicContact NE-OD2 2.81Å; R207-D288 IonicContact NH2-OD1 3.99Å; R207-D288 IonicContact NH2-OD2 3.58Å; R207-D288 PolarHBondContact NH2-OD2 2.89Å
208H97.4Very high97.6Very high84 Ų8435.3 Ų35.339%0.38916%0.158SC..THydrogen-bonded Turntrans-128.4-40.6-168.8-64.6-77.9000113.4P181 E204 L205P181-H208 HydrophobicContact CB-CB 3.86Å; P181-H208 WeakPolarHBondContact CB-CD2 3.33Å; E204-H208 PolarHBondContact O-CD2 2.97Å; L205-H208 PolarHBondContact O-N 2.64Å
209A98Very high97.5Very high14 Ų1435.7 Ų35.712%0.11616%0.162CC..SBendtrans-73.8158.1176.700000111.2F184 K187 V189 L205 K211 V212F184-A209 VanDerWaalsContact O-CA 3.32Å; F184-A209 WeakPolarHBondContact O-CA 3.34Å; K187-A209 WeakPolarHBondContact O-CB 3.38Å; V189-A209 HydrophobicContact CG2-CB 4.01Å; L205-A209 HydrophobicContact CB-CB 4.47Å; L205-A209 WeakPolarHBondContact O-CB 3.2Å; L205-A209 PolarHBondContact O-N 3.43Å; A209-K211 VanDerWaalsContact C-N 3.32Å; A209-V212 HydrophobicContact CB-CG2 3.89Å
210N97.3Very high97.4Very high107 Ų10735.7 Ų35.757%0.57216%0.162SC*.SBendtrans-64.6-40.6175.3-178.834.8000111.3K187K187-N210 WeakPolarHBondContact O-CB 3.18Å; K187-N210 PolarHBondContact O-N 2.84Å
211K97.9Very high97.3Very high52 Ų5234.4 Ų34.423%0.22615%0.154CC..EExtended strand (participates in β ladder)trans-154.9139.6177.7-165.367.1169.9-1740110.3K187 R188 V189 A209 F213 A296 V299K187-K211 PolarHBondContact O-N 2.86Å; R188-K211 WeakPolarHBondContact CA-O 3.47Å; R188-K211 HydrophobicContact CG-CB 4.14Å; V189-K211 PolarHBondContact N-O 3.35Å; A209-K211 VanDerWaalsContact C-N 3.32Å; K211-F213 HydrophobicContact CB-CE2 4.24Å; K211-F213 HydrophobicContact CG-CD2 4.46Å; K211-F213 HydrophobicContact CG-CE1 4.24Å; K211-F213 HydrophobicContact CG-CE2 3.69Å; K211-F213 HydrophobicContact CG-CZ 3.55Å; K211-A296 PolarHBondContact NZ-O 2.99Å; K211-V299 VanDerWaalsContact CE-CG2 3.44Å
212V98.7Very high97.3Very high0 Ų034.4 Ų34.40%015%0.154CC..EExtended strand (participates in β ladder)trans-120133.5172.7-172.60000110.2V189 V191 A202 L205 A209 A297 L298 V299V189-V212 CarbonylContact O-C 3.5Å; V189-V212 WeakPolarHBondContact O-CA 3.19Å; V191-V212 HydrophobicContact CG2-CG1 4.03Å; A202-V212 HydrophobicContact CB-CG1 4.4Å; L205-V212 HydrophobicContact CB-CG2 3.82Å; A209-V212 HydrophobicContact CB-CG2 3.89Å; V212-A297 PolarHBondContact N-O 3.08Å; V212-L298 HydrophobicContact CB-CD1 3.66Å; V212-L298 HydrophobicContact CG1-CD1 3.37Å; V212-L298 WeakPolarHBondContact O-CA 3.4Å; V212-V299 PolarHBondContact O-N 2.69Å
213F98.7Very high97.2Very high2 Ų234.5 Ų34.51%0.00916%0.155CC..EExtended strand (participates in β ladder)trans-110136170.5-57.8-83000108.8V189 L190 V191 K211 V299 K301 E320 I323V189-F213 PolarHBondContact O-N 2.73Å; L190-F213 HydrophobicContact CD1-CB 3.67Å; V191-F213 PolarHBondContact N-O 3.4Å; K211-F213 HydrophobicContact CB-CE2 4.24Å; K211-F213 HydrophobicContact CG-CD2 4.46Å; K211-F213 HydrophobicContact CG-CE1 4.24Å; K211-F213 HydrophobicContact CG-CE2 3.69Å; K211-F213 HydrophobicContact CG-CZ 3.55Å; F213-V299 CarbonylContact C-O 3.51Å; F213-V299 VanDerWaalsContact CA-O 3.3Å; F213-V299 WeakPolarHBondContact CA-O 3.29Å; F213-V299 HydrophobicContact CD1-CB 3.87Å; F213-V299 HydrophobicContact CD1-CG1 4.22Å; F213-V299 HydrophobicContact CE1-CB 4.15Å; F213-V299 HydrophobicContact CE1-CG1 4.43Å; F213-V299 HydrophobicContact CE1-CG2 4.49Å; F213-K301 HydrophobicContact CB-CG 4.32Å; F213-K301 HydrophobicContact CD1-CD 4.3Å; F213-K301 HydrophobicContact CD1-CG 4.11Å; F213-E320 HydrophobicContact CD1-CG 3.92Å; F213-E320 HydrophobicContact CE1-CG 3.66Å; F213-E320 WeakPolarHBondContact CE1-OE1 3.18Å; F213-E320 VanDerWaalsContact CE1-OE2 3.25Å; F213-E320 WeakPolarHBondContact CE1-OE2 3.38Å; F213-E320 HydrophobicContact CE2-CG 4.44Å; F213-E320 HydrophobicContact CG-CG 4.43Å; F213-E320 HydrophobicContact CZ-CB 4.39Å; F213-E320 VanDerWaalsContact CZ-CD 3.45Å; F213-E320 HydrophobicContact CZ-CG 3.94Å; F213-E320 WeakPolarHBondContact CZ-OE2 3.43Å; F213-I323 HydrophobicContact CD2-CD1 3.73Å; F213-I323 HydrophobicContact CE2-CD1 3.77Å
214L98.6Very high97.1Very high0 Ų034.3 Ų34.30%015%0.154CC..EExtended strand (participates in β ladder)trans-114.3108175.2176.166.4000108.7V191 G193 F194 A198 M199 A202 L289 L298 V299 V300 K301V191-L214 HydrophobicContact CB-CD1 4.18Å; V191-L214 HydrophobicContact CG1-CD1 4.05Å; V191-L214 WeakPolarHBondContact O-CA 3.35Å; G193-L214 VanDerWaalsContact O-CD1 3.28Å; G193-L214 WeakPolarHBondContact O-CD1 3.29Å; F194-L214 HydrophobicContact CD2-CD2 4.06Å; F194-L214 HydrophobicContact CD2-CG 4.47Å; F194-L214 HydrophobicContact CE2-CD2 3.86Å; A198-L214 HydrophobicContact CB-CD1 4.37Å; M199-L214 HydrophobicContact CE-CD1 4.28Å; M199-L214 HydrophobicContact CE-CD2 3.7Å; A202-L214 HydrophobicContact CB-CD1 4.24Å; L214-L289 HydrophobicContact CD2-CD1 4.2Å; L214-L298 HydrophobicContact CB-CD1 4Å; L214-L298 HydrophobicContact CB-CD2 4.43Å; L214-L298 HydrophobicContact CB-CG 4.31Å; L214-L298 HydrophobicContact CD2-CD2 4.26Å; L214-V299 PolarHBondContact N-O 3.04Å; L214-V300 CarbonylContact O-C 3.56Å; L214-V300 WeakPolarHBondContact O-CA 3.43Å; L214-K301 PolarHBondContact O-N 3.38Å
215S98.5Very high97Very high1 Ų136.1 Ų36.11%0.00716%0.16CC..EExtended strand (participates in β ladder)trans-89.3129.4175.1175.60000110.8V191 G193 K301 T302V191-S215 PolarHBondContact O-N 3.04Å; G193-S215 PolarHBondContact N-O 3.47Å; S215-K301 WeakPolarHBondContact CA-O 3.33Å; S215-T302 PolarHBondContact OG-O 2.84Å
216T96.8Very high96.8Very high13 Ų1339 Ų398%0.0818%0.177CC..  trans-138.8139.5174.5-178.90000111.2F194 R218 G219 V300 K301 T302 D303F194-T216 WeakPolarHBondContact CB-OG1 3.27Å; F194-T216 HydrophobicContact CD2-CG2 3.85Å; F194-T216 HydrophobicContact CE2-CG2 4.1Å; T216-R218 VanDerWaalsContact C-N 3.35Å; T216-G219 WeakPolarHBondContact OG1-CA 3.24Å; T216-G219 PolarHBondContact OG1-N 3.08Å; T216-G219 VanDerWaalsContact OG1-N 3.09Å; T216-V300 HydrophobicContact CG2-CG1 4.13Å; T216-K301 PolarHBondContact N-O 2.83Å; T216-K301 VanDerWaalsContact N-O 3.12Å; T216-T302 CarbonylContact O-C 3.56Å; T216-D303 PolarHBondContact O-N 2.94Å
217R94Very high96.5Very high146 Ų14638.6 Ų38.655%0.55117%0.174SC*.SBendtrans-73.7-27.2-177.8-51.6-163.8-84.1135.5-8.2113.8D303R217-D303 HydrophobicContact CB-CB 4.35Å; R217-D303 WeakPolarHBondContact CD-OD2 3.37Å; R217-D303 HydrophobicContact CG-CB 4.1Å; R217-D303 WeakPolarHBondContact CG-OD1 3.43Å; R217-D303 VanDerWaalsContact CG-OD2 3.24Å; R217-D303 WeakPolarHBondContact CG-OD2 2.91Å
218R93.2Very high96.1Very high94 Ų9434.4 Ų34.436%0.35516%0.16SC..SBendtrans-153.76.9-16762.4-178.6128.6-128.99.3114.3T216 P274 Y276T216-R218 VanDerWaalsContact C-N 3.35Å; R218-P274 WeakPolarHBondContact O-CA 3.36Å; R218-P274 WeakPolarHBondContact O-CB 3.37Å; R218-Y276 HydrophobicContact CG-CE1 4.4Å
219G95.3Very high95.6Very high7 Ų733.3 Ų33.37%0.07216%0.162CC..  trans59.7-156.7-170.700000113.3T216 I272 Y276T216-G219 WeakPolarHBondContact OG1-CA 3.24Å; T216-G219 PolarHBondContact OG1-N 3.08Å; T216-G219 VanDerWaalsContact OG1-N 3.09Å; G219-I272 CarbonylContact C-O 3.47Å; G219-I272 VanDerWaalsContact CA-O 3.31Å; G219-I272 WeakPolarHBondContact CA-O 3.38Å; G219-Y276 PolarHBondContact O-OH 3.44Å
220G96Very high95.3Very high1 Ų134.3 Ų34.31%0.0117%0.174CC..  trans172.7159.9177.600000112.7F194 I272 Y276F194-G220 VanDerWaalsContact CE1-N 3.34Å; G220-I272 PolarHBondContact N-O 2.93Å; G220-Y276 VanDerWaalsContact CA-OH 3.25Å; G220-Y276 WeakPolarHBondContact CA-OH 3.47Å
221W96.8Very high95.1Very high12 Ų1230.1 Ų30.15%0.04515%0.15CC..  trans-73.7125.8173.1-63105000110.2F223 E258 L261 N262 H267 R273 P274 Y276 V278W221-F223 HydrophobicContact CB-CE2 4.47Å; W221-E258 HydrophobicContact CD2-CG 4.43Å; W221-E258 HydrophobicContact CH2-CB 4.31Å; W221-E258 HydrophobicContact CH2-CG 4.01Å; W221-E258 HydrophobicContact CZ2-CG 3.83Å; W221-E258 HydrophobicContact CZ3-CG 4.4Å; W221-L261 HydrophobicContact CB-CD1 4.03Å; W221-L261 HydrophobicContact CE3-CD1 4.31Å; W221-N262 WeakPolarHBondContact CZ3-ND2 3.36Å; W221-H267 HydrophobicContact CE3-CB 4.33Å; W221-H267 AromaticContact CE3-CD2 3.72Å; W221-H267 AromaticContact CE3-CG 3.82Å; W221-H267 HydrophobicContact CZ3-CB 3.98Å; W221-H267 AromaticContact CZ3-CG 3.84Å; W221-R273 HydrophobicContact CH2-CG 4.3Å; W221-P274 HydrophobicContact CD2-CG 4.27Å; W221-P274 HydrophobicContact CG-CG 4.13Å; W221-P274 HydrophobicContact CZ2-CG 4.48Å; W221-P274 VanDerWaalsContact NE1-CG 3.34Å; W221-Y276 AromaticContact CD1-CE2 3.97Å; W221-Y276 PolarHBondContact NE1-O 3.43Å; W221-V278 HydrophobicContact CB-CG2 3.88Å; W221-V278 VanDerWaalsContact CD1-CA 3.41Å; W221-V278 HydrophobicContact CD2-CB 4.49Å; W221-V278 HydrophobicContact CG-CB 4.07Å; W221-V278 HydrophobicContact CG-CG2 3.95Å
222T97Very high95Very high0 Ų027.7 Ų27.70%014%0.139CC..EExtended strand (participates in β ladder)trans-110.6126.9-178.470.40000111.2F194 F265 H267 I272 T284 L289F194-T222 HydrophobicContact CE1-CG2 3.74Å; F194-T222 HydrophobicContact CZ-CG2 3.87Å; T222-F265 WeakPolarHBondContact OG1-CE1 3.48Å; T222-F265 WeakPolarHBondContact OG1-CZ 3.48Å; T222-H267 PolarHBondContact N-NE2 2.99Å; T222-H267 PolarHBondContact OG1-NE2 3.07Å; T222-I272 HydrophobicContact CG2-CD1 3.96Å; T222-T284 CarbonylContact C-O 3.32Å; T222-T284 VanDerWaalsContact CA-O 3.24Å; T222-T284 WeakPolarHBondContact CA-O 3.4Å; T222-L289 HydrophobicContact CG2-CD2 3.78Å
223F96.4Very high94.8Very high2 Ų228 Ų281%0.00914%0.14CC..EExtended strand (participates in β ladder)trans-96.5145.1-179-75.2-105.3000110.1W221 Y233 V257 L261 V278 P283 T284 L285 S286W221-F223 HydrophobicContact CB-CE2 4.47Å; F223-Y233 HydrophobicContact CD1-CD2 4.2Å; F223-V257 HydrophobicContact CE1-CG1 3.78Å; F223-V257 HydrophobicContact CZ-CG1 3.83Å; F223-L261 HydrophobicContact CD1-CD1 4.49Å; F223-L261 HydrophobicContact CD1-CD2 3.9Å; F223-L261 HydrophobicContact CD2-CD1 4.13Å; F223-L261 HydrophobicContact CE1-CD1 4.2Å; F223-L261 HydrophobicContact CE1-CD2 4.2Å; F223-L261 HydrophobicContact CE2-CD1 3.83Å; F223-L261 HydrophobicContact CG-CD1 4.46Å; F223-L261 HydrophobicContact CG-CD2 4.1Å; F223-L261 HydrophobicContact CZ-CD1 3.88Å; F223-V278 HydrophobicContact CE2-CG2 3.61Å; F223-V278 HydrophobicContact CZ-CG2 3.41Å; F223-V278 VanDerWaalsContact CZ-CG2 3.41Å; F223-P283 HydrophobicContact CD2-CB 3.98Å; F223-P283 HydrophobicContact CE2-CB 4.12Å; F223-P283 HydrophobicContact CE2-CG 4.49Å; F223-T284 PolarHBondContact N-O 3.39Å; F223-L285 HydrophobicContact CB-CG 4.16Å; F223-L285 CarbonylContact O-C 3.59Å; F223-L285 WeakPolarHBondContact O-CA 3.44Å; F223-S286 PolarHBondContact O-N 3.41Å
224G96.1Very high94.7Very high6 Ų627.9 Ų27.96%0.06214%0.14CC..  trans-80.7158.7157.200000109.4T226 R264 D287G224-T226 PolarHBondContact O-N 2.99Å; G224-R264 VanDerWaalsContact CA-NH1 3.31Å; G224-R264 VanDerWaalsContact N-NH1 3.11Å; G224-D287 VanDerWaalsContact CA-OD1 3.31Å; G224-D287 WeakPolarHBondContact CA-OD1 3.38Å
225R96.8Very high94.5Very high69 Ų6928 Ų2826%0.2614%0.14SC..SBendtrans-65.2-26.4169.3-83.4-179-71167.7-3.6111.4F82 P232 Y233 L285 D287F82-R225 HydrophobicContact CD1-CB 4.15Å; F82-R225 HydrophobicContact CD1-CG 3.86Å; F82-R225 HydrophobicContact CD2-CB 4.01Å; F82-R225 HydrophobicContact CD2-CG 4.48Å; F82-R225 HydrophobicContact CE1-CB 3.82Å; F82-R225 HydrophobicContact CE1-CG 3.81Å; F82-R225 HydrophobicContact CE2-CB 3.7Å; F82-R225 HydrophobicContact CE2-CG 4.47Å; F82-R225 HydrophobicContact CG-CB 4.23Å; F82-R225 HydrophobicContact CG-CG 4.19Å; F82-R225 HydrophobicContact CZ-CB 3.6Å; F82-R225 HydrophobicContact CZ-CG 4.14Å; F82-R225 WeakPolarHBondContact CZ-O 3.41Å; R225-P232 WeakPolarHBondContact O-CA 3.45Å; R225-Y233 PolarHBondContact O-N 3.1Å; R225-L285 HydrophobicContact CG-CD2 3.97Å; R225-D287 IonicContact CZ-OD2 2.76Å; R225-D287 PolarHBondContact N-OD1 3.35Å; R225-D287 IonicContact NE-OD2 3.8Å; R225-D287 PolarHBondContact NE-OD2 2.92Å; R225-D287 IonicContact NH2-OD2 3.82Å; R225-D287 PolarHBondContact NH2-OD2 3.48Å
226T94.7Very high94.3Very high59 Ų5929.1 Ų29.136%0.36215%0.146SC..BIsolated β-bridgetrans-104.2155.2175.2640000112.3G224 G230 Y231G224-T226 PolarHBondContact O-N 2.99Å; T226-G230 VanDerWaalsContact CG2-O 3.27Å; T226-G230 WeakPolarHBondContact CG2-O 3.35Å; T226-Y231 CarbonylContact C-O 3.55Å; T226-Y231 VanDerWaalsContact CA-O 3.28Å; T226-Y231 WeakPolarHBondContact CA-O 3.35Å
227F91.8Very high94.1Very high5 Ų529.1 Ų29.12%0.02215%0.146CC..  trans-129.5-135.2178.2-153.8-107.8000108.8C229 G230 Y231 L236 L237 Y256 Y260F227-C229 PolarHBondContact O-N 2.9Å; F227-G230 PolarHBondContact O-N 3.35Å; F227-Y231 PolarHBondContact N-O 2.85Å; F227-L236 HydrophobicContact CB-CD1 4.08Å; F227-L236 HydrophobicContact CD1-CD1 4.35Å; F227-L237 HydrophobicContact CE1-CD2 4.14Å; F227-L237 HydrophobicContact CE2-CD1 4.36Å; F227-L237 HydrophobicContact CZ-CD1 4.39Å; F227-L237 HydrophobicContact CZ-CD2 4.39Å; F227-Y256 HydrophobicContact CE1-CE1 4.3Å; F227-Y260 WeakPolarHBondContact CA-OH 3.11Å; F227-Y260 HydrophobicContact CB-CE1 4.38Å; F227-Y260 HydrophobicContact CD1-CD2 4.25Å; F227-Y260 HydrophobicContact CD1-CE1 4.49Å; F227-Y260 HydrophobicContact CD1-CE2 4.2Å; F227-Y260 HydrophobicContact CD1-CG 4.41Å; F227-Y260 AromaticContact CD2-CD1 3.27Å; F227-Y260 HydrophobicContact CD2-CD1 3.27Å; F227-Y260 HydrophobicContact CD2-CD2 4.37Å; F227-Y260 AromaticContact CD2-CE1 3.19Å; F227-Y260 HydrophobicContact CD2-CE1 3.19Å; F227-Y260 HydrophobicContact CD2-CE2 4.31Å; F227-Y260 AromaticContact CD2-CG 3.89Å; F227-Y260 HydrophobicContact CD2-CG 3.89Å; F227-Y260 AromaticContact CD2-CZ 3.78Å; F227-Y260 HydrophobicContact CE1-CD1 4.27Å; F227-Y260 AromaticContact CE1-CD2 3.92Å; F227-Y260 HydrophobicContact CE1-CD2 3.92Å; F227-Y260 HydrophobicContact CE1-CE2 4.34Å; F227-Y260 AromaticContact CE1-CG 3.88Å; F227-Y260 HydrophobicContact CE1-CG 3.88Å; F227-Y260 AromaticContact CE2-CD1 2.95Å; F227-Y260 HydrophobicContact CE2-CD1 2.95Å; F227-Y260 HydrophobicContact CE2-CD2 4.08Å; F227-Y260 AromaticContact CE2-CE1 3.48Å; F227-Y260 HydrophobicContact CE2-CE1 3.48Å; F227-Y260 VanDerWaalsContact CE2-CE1 3.48Å; F227-Y260 HydrophobicContact CE2-CE2 4.48Å; F227-Y260 AromaticContact CE2-CG 3.32Å; F227-Y260 HydrophobicContact CE2-CG 3.32Å; F227-Y260 HydrophobicContact CG-CD1 4.07Å; F227-Y260 HydrophobicContact CG-CD2 4.44Å; F227-Y260 AromaticContact CG-CE1 3.77Å; F227-Y260 HydrophobicContact CG-CE1 3.77Å; F227-Y260 HydrophobicContact CG-CE2 4.17Å; F227-Y260 HydrophobicContact CG-CG 4.4Å; F227-Y260 AromaticContact CG-CZ 3.84Å; F227-Y260 AromaticContact CZ-CD1 3.51Å; F227-Y260 HydrophobicContact CZ-CD1 3.51Å; F227-Y260 AromaticContact CZ-CD2 3.83Å; F227-Y260 HydrophobicContact CZ-CD2 3.83Å; F227-Y260 HydrophobicContact CZ-CE1 4.21Å; F227-Y260 HydrophobicContact CZ-CE2 4.48Å; F227-Y260 AromaticContact CZ-CG 3.29Å; F227-Y260 HydrophobicContact CZ-CG 3.29Å; F227-Y260 PolarHBondContact O-OH 3.16Å
228H87.6Confident94.1Very high48 Ų4822.4 Ų22.422%0.22212%0.121CC..G310 helixtrans-51.1132.5180-72.1-54.6000113.2G230 Y231 L236 Y256 Y260H228-G230 PolarHBondContact O-N 3.15Å; H228-Y231 PolarHBondContact O-N 3.33Å; H228-L236 HydrophobicContact CB-CD1 3.93Å; H228-Y256 PolarHBondContact CD2-OH 2.71Å; H228-Y256 AromaticContact NE2-CZ 3.61Å; H228-Y256 PolarHBondContact NE2-OH 3.41Å; H228-Y260 AromaticContact CE1-CD2 3.49Å; H228-Y260 VanDerWaalsContact CE1-CD2 3.49Å; H228-Y260 WeakPolarHBondContact CE1-CD2 3.29Å; H228-Y260 AromaticContact CE1-CE2 3.71Å; H228-Y260 AromaticContact ND1-CD2 3.87Å; H228-Y260 AromaticContact ND1-CE2 3.59Å; H228-Y260 AromaticContact NE2-CD2 3.99Å
229C87.9Confident94.1Very high62 Ų6218.5 Ų18.542%0.41911%0.107SC..G310 helixtrans53.425.1176.4-54.80000114.2F227 Y231F227-C229 PolarHBondContact O-N 2.9Å; C229-Y231 VanDerWaalsContact C-N 3.27Å; C229-Y231 HydrophobicContact CB-CD2 3.93Å; C229-Y231 HydrophobicContact CB-CE2 4.09Å; C229-Y231 PolarHBondContact O-N 2.86Å
230G90Very high94Very high35 Ų3519.4 Ų19.436%0.36111%0.108SC..G310 helixtrans767.6179.800000115T226 F227 H228T226-G230 VanDerWaalsContact CG2-O 3.27Å; T226-G230 WeakPolarHBondContact CG2-O 3.35Å; F227-G230 PolarHBondContact O-N 3.35Å; H228-G230 PolarHBondContact O-N 3.15Å
231Y93.8Very high93.7Very high19 Ų1922.6 Ų22.68%0.07513%0.125CC..  trans-74.5153.6174.1-74.5-95.8000110.9T226 F227 H228 C229 Y233 W494 I497 R498 I515T226-Y231 CarbonylContact C-O 3.55Å; T226-Y231 VanDerWaalsContact CA-O 3.28Å; T226-Y231 WeakPolarHBondContact CA-O 3.35Å; F227-Y231 PolarHBondContact N-O 2.85Å; H228-Y231 PolarHBondContact O-N 3.33Å; C229-Y231 VanDerWaalsContact C-N 3.27Å; C229-Y231 HydrophobicContact CB-CD2 3.93Å; C229-Y231 HydrophobicContact CB-CE2 4.09Å; C229-Y231 PolarHBondContact O-N 2.86Å; Y231-Y233 PolarHBondContact O-N 3.43Å; Y231-W494 HydrophobicContact CD1-CE3 4.27Å; Y231-W494 HydrophobicContact CD1-CZ3 4.01Å; Y231-W494 HydrophobicContact CE1-CE3 4.21Å; Y231-W494 HydrophobicContact CE1-CZ3 4.37Å; Y231-I497 HydrophobicContact CD1-CG2 3.94Å; Y231-I497 HydrophobicContact CE1-CG2 4.3Å; Y231-R498 HydrophobicContact CE1-CG 4.11Å; Y231-R498 PolarHBondContact OH-NE 2.98Å; Y231-I515 HydrophobicContact CD2-CG2 3.53Å; Y231-I515 HydrophobicContact CE2-CG2 3.76Å; Y231-I515 HydrophobicContact CG-CG2 3.97Å
232P96.4Very high93.5Very high0 Ų023.9 Ų23.90%014%0.135CC..BIsolated β-bridgetrans-51.9137.9173.7-2634.4000112.3N81 F82 R225 D234 V235 I497N81-P232 HydrophobicContact CB-CG 4.15Å; F82-P232 HydrophobicContact CE2-CB 4.07Å; F82-P232 HydrophobicContact CE2-CG 4.07Å; F82-P232 HydrophobicContact CZ-CB 3.64Å; F82-P232 HydrophobicContact CZ-CG 4.13Å; R225-P232 WeakPolarHBondContact O-CA 3.45Å; P232-D234 VanDerWaalsContact C-N 3.29Å; P232-D234 WeakPolarHBondContact CB-OD1 3.24Å; P232-D234 PolarHBondContact O-N 2.87Å; P232-V235 HydrophobicContact CB-CG1 4.07Å; P232-V235 HydrophobicContact CB-CG2 3.89Å; P232-V235 HydrophobicContact CG-CG1 4.39Å; P232-V235 HydrophobicContact CG-CG2 4.19Å; P232-V235 VanDerWaalsContact O-CG2 3.29Å; P232-V235 WeakPolarHBondContact O-CG2 3.23Å; P232-I497 HydrophobicContact CG-CG2 4.35Å
233Y95Very high93.2Very high7 Ų726.1 Ų26.13%0.02715%0.145CC..Hα-helixtrans-64.5-37.9-178.481.2-79.9000112.1N62 F223 R225 Y231 L236 L237 L285 W377N62-Y233 WeakPolarHBondContact O-CE1 3.27Å; F223-Y233 HydrophobicContact CD1-CD2 4.2Å; R225-Y233 PolarHBondContact O-N 3.1Å; Y231-Y233 PolarHBondContact O-N 3.43Å; Y233-L236 PolarHBondContact O-N 3.09Å; Y233-L237 HydrophobicContact CD2-CD1 4.26Å; Y233-L237 WeakPolarHBondContact O-CB 3.49Å; Y233-L237 WeakPolarHBondContact O-CG 3.36Å; Y233-L237 PolarHBondContact O-N 3.4Å; Y233-L285 HydrophobicContact CD1-CD2 4.37Å; Y233-L285 HydrophobicContact CE1-CD2 3.62Å; Y233-W377 HydrophobicContact CE2-CH2 4.47Å; Y233-W377 HydrophobicContact CE2-CZ2 4.39Å
234D96Very high92.9Very high0 Ų030 Ų300%016%0.164CC..Hα-helixtrans-68.5-42.6-175.959.3-15.8000111.5T63 S64 M67 P232 L236 L237 L238T63-D234 WeakPolarHBondContact CA-OD2 3.29Å; S64-D234 WeakPolarHBondContact CB-OD1 3.35Å; S64-D234 PolarHBondContact N-OD2 3.33Å; S64-D234 VanDerWaalsContact OG-CG 3.29Å; S64-D234 PolarHBondContact OG-OD1 3.46Å; S64-D234 PolarHBondContact OG-OD2 2.83Å; M67-D234 WeakPolarHBondContact CB-OD2 3.18Å; M67-D234 HydrophobicContact CG-CB 4.48Å; P232-D234 VanDerWaalsContact C-N 3.29Å; P232-D234 WeakPolarHBondContact CB-OD1 3.24Å; P232-D234 PolarHBondContact O-N 2.87Å; D234-L236 PolarHBondContact O-N 3.21Å; D234-L237 PolarHBondContact O-N 3.5Å; D234-L238 HydrophobicContact CB-CD1 4.09Å; D234-L238 WeakPolarHBondContact O-CA 3.39Å; D234-L238 WeakPolarHBondContact O-CB 3.1Å; D234-L238 PolarHBondContact O-N 3.32Å
235V95.3Very high92.6Very high1 Ų131.7 Ų31.71%0.00617%0.173CC..Hα-helixtrans-63.3-25.1175.9-53.50000112.8S64 M67 P232 P469 W494 I497S64-V235 VanDerWaalsContact OG-CG1 3.26Å; S64-V235 WeakPolarHBondContact OG-CG1 3.21Å; M67-V235 HydrophobicContact CG-CG1 3.77Å; M67-V235 HydrophobicContact SD-CG1 4.29Å; P232-V235 HydrophobicContact CB-CG1 4.07Å; P232-V235 HydrophobicContact CB-CG2 3.89Å; P232-V235 HydrophobicContact CG-CG1 4.39Å; P232-V235 HydrophobicContact CG-CG2 4.19Å; P232-V235 VanDerWaalsContact O-CG2 3.29Å; P232-V235 WeakPolarHBondContact O-CG2 3.23Å; V235-P469 HydrophobicContact CB-CB 4.01Å; V235-P469 HydrophobicContact CB-CG 3.87Å; V235-P469 HydrophobicContact CG1-CB 4.48Å; V235-W494 HydrophobicContact CB-CH2 4.45Å; V235-W494 HydrophobicContact CB-CZ3 4.43Å; V235-W494 HydrophobicContact CG2-CH2 4.09Å; V235-W494 HydrophobicContact CG2-CZ3 3.8Å; V235-I497 HydrophobicContact CB-CD1 4.07Å; V235-I497 HydrophobicContact CG1-CD1 3.78Å; V235-I497 HydrophobicContact CG1-CG1 4.49Å; V235-I497 HydrophobicContact CG2-CD1 4.13Å
236L92.6Very high92.3Very high26 Ų2630 Ų3014%0.13617%0.169CC..Hα-helixtrans-88.9-34.8180-66179.9000113.1F227 H228 Y233 D234 N239 W494 I515F227-L236 HydrophobicContact CB-CD1 4.08Å; F227-L236 HydrophobicContact CD1-CD1 4.35Å; H228-L236 HydrophobicContact CB-CD1 3.93Å; Y233-L236 PolarHBondContact O-N 3.09Å; D234-L236 PolarHBondContact O-N 3.21Å; L236-N239 PolarHBondContact O-ND2 2.94Å; L236-W494 HydrophobicContact CD2-CH2 3.93Å; L236-W494 HydrophobicContact CD2-CZ3 4.39Å; L236-I515 HydrophobicContact CD2-CB 4.29Å; L236-I515 HydrophobicContact CD2-CD1 4.44Å; L236-I515 HydrophobicContact CD2-CG2 3.72Å
237L92.9Very high92.1Very high12 Ų1233.3 Ų33.36%0.06318%0.178CC..Hα-helixtrans-98.2-27.2-175.3-61.7179.4000113.2F227 Y233 D234 N239 C242 V257 W377F227-L237 HydrophobicContact CE1-CD2 4.14Å; F227-L237 HydrophobicContact CE2-CD1 4.36Å; F227-L237 HydrophobicContact CZ-CD1 4.39Å; F227-L237 HydrophobicContact CZ-CD2 4.39Å; Y233-L237 HydrophobicContact CD2-CD1 4.26Å; Y233-L237 WeakPolarHBondContact O-CB 3.49Å; Y233-L237 WeakPolarHBondContact O-CG 3.36Å; Y233-L237 PolarHBondContact O-N 3.4Å; D234-L237 PolarHBondContact O-N 3.5Å; L237-N239 VanDerWaalsContact C-N 3.31Å; L237-N239 PolarHBondContact O-N 3.2Å; L237-N239 VanDerWaalsContact O-N 3.17Å; L237-C242 WeakPolarHBondContact O-CB 3.48Å; L237-V257 HydrophobicContact CD1-CG2 4.36Å; L237-V257 HydrophobicContact CD2-CG2 4.34Å; L237-W377 HydrophobicContact CB-CH2 3.47Å; L237-W377 VanDerWaalsContact CB-CH2 3.47Å; L237-W377 HydrophobicContact CB-CZ3 3.95Å; L237-W377 HydrophobicContact CD1-CH2 3.72Å; L237-W377 HydrophobicContact CD1-CZ2 4.16Å; L237-W377 HydrophobicContact CG-CH2 4.24Å
238L94.5Very high92.1Very high5 Ų540.1 Ų40.13%0.02620%0.204CC..SBendtrans-88.665.2175.4-67175.1000111.5M67 D234 W377 Y434 C470M67-L238 HydrophobicContact CE-CB 3.77Å; M67-L238 HydrophobicContact CE-CD1 3.93Å; D234-L238 HydrophobicContact CB-CD1 4.09Å; D234-L238 WeakPolarHBondContact O-CA 3.39Å; D234-L238 WeakPolarHBondContact O-CB 3.1Å; D234-L238 PolarHBondContact O-N 3.32Å; L238-W377 HydrophobicContact CD2-CE3 3.35Å; L238-W377 HydrophobicContact CD2-CZ3 3.39Å; L238-W377 HydrophobicContact CG-CE3 4Å; L238-W377 HydrophobicContact CG-CZ3 3.64Å; L238-Y434 HydrophobicContact CD1-CG 4.44Å; L238-C470 VanDerWaalsContact O-CB 3.3Å; L238-C470 WeakPolarHBondContact O-CB 3.42Å; L238-C470 PolarHBondContact O-N 3.03Å
239N93.7Very high92.3Very high13 Ų1344.1 Ų44.17%0.0722%0.221CC..SBendtrans-127.4164.4166.168.874.1000110.6L236 L237 L241 C242 F243 I435 G468L236-N239 PolarHBondContact O-ND2 2.94Å; L237-N239 VanDerWaalsContact C-N 3.31Å; L237-N239 PolarHBondContact O-N 3.2Å; L237-N239 VanDerWaalsContact O-N 3.17Å; N239-L241 PolarHBondContact O-N 2.92Å; N239-L241 WeakPolarHBondContact OD1-CB 3.49Å; N239-L241 PolarHBondContact OD1-N 3.18Å; N239-L241 VanDerWaalsContact OD1-N 3.12Å; N239-C242 PolarHBondContact ND2-SG 3.41Å; N239-C242 PolarHBondContact O-N 2.83Å; N239-C242 PolarHBondContact OD1-N 3.12Å; N239-F243 WeakPolarHBondContact O-CB 3.42Å; N239-F243 PolarHBondContact O-N 3.46Å; N239-I435 WeakPolarHBondContact O-CD1 3.48Å; N239-G468 WeakPolarHBondContact CB-O 3.26Å
240R93.4Very high92.5Very high26 Ų2644.8 Ų44.810%0.09823%0.225CC..Hα-helixtrans-68.7-32.9-172.3-61-172.5174.5-77-6.8112.7M244 D439 P449 I465 F466R240-M244 WeakPolarHBondContact O-CB 3.36Å; R240-M244 PolarHBondContact O-N 3.04Å; R240-D439 IonicContact CZ-OD1 2.63Å; R240-D439 IonicContact CZ-OD2 2.96Å; R240-D439 VanDerWaalsContact NH1-CG 3.3Å; R240-D439 IonicContact NH1-OD1 2.88Å; R240-D439 PolarHBondContact NH1-OD1 3.49Å; R240-D439 VanDerWaalsContact NH1-OD1 3.11Å; R240-D439 IonicContact NH1-OD2 3.16Å; R240-D439 PolarHBondContact NH1-OD2 2.96Å; R240-D439 IonicContact NH2-OD1 3.02Å; R240-D439 PolarHBondContact NH2-OD1 2.82Å; R240-D439 IonicContact NH2-OD2 3.21Å; R240-P449 VanDerWaalsContact NH2-CG 3.29Å; R240-I465 WeakPolarHBondContact CD-O 3.38Å; R240-I465 WeakPolarHBondContact CG-O 3.4Å; R240-F466 HydrophobicContact CB-CD2 4.1Å; R240-F466 HydrophobicContact CB-CE2 4.49Å; R240-F466 WeakPolarHBondContact CB-O 3.47Å; R240-F466 PolarHBondContact N-O 3.26Å
241L90.1Very high92.5Very high68 Ų6847.5 Ų47.536%0.35624%0.239SC..Hα-helixtrans-65.7-50.1173.5174.767.2000111.5N239 F243 M244 V245 F466 L467N239-L241 PolarHBondContact O-N 2.92Å; N239-L241 WeakPolarHBondContact OD1-CB 3.49Å; N239-L241 PolarHBondContact OD1-N 3.18Å; N239-L241 VanDerWaalsContact OD1-N 3.12Å; L241-F243 VanDerWaalsContact C-N 3.27Å; L241-F243 PolarHBondContact O-N 2.93Å; L241-M244 WeakPolarHBondContact O-CB 3.38Å; L241-M244 PolarHBondContact O-N 3.45Å; L241-M244 VanDerWaalsContact O-N 3.1Å; L241-V245 HydrophobicContact CD1-CG2 4.43Å; L241-V245 WeakPolarHBondContact O-CG2 3.43Å; L241-V245 PolarHBondContact O-N 3.43Å; L241-F466 HydrophobicContact CB-CE1 4.42Å; L241-F466 HydrophobicContact CB-CZ 4.37Å; L241-F466 HydrophobicContact CD1-CE1 4.45Å; L241-F466 HydrophobicContact CD1-CZ 4.28Å; L241-F466 PolarHBondContact N-O 3.15Å; L241-L467 HydrophobicContact CB-CD2 3.76Å; L241-L467 HydrophobicContact CD2-CD2 3.42Å; L241-L467 VanDerWaalsContact CD2-CD2 3.42Å; L241-L467 HydrophobicContact CG-CD2 4.15Å
242C90.8Very high92.3Very high39 Ų3953.2 Ų53.226%0.26426%0.264SS..Hα-helixtrans-59.5-40.9177.2-77.20000111.3L237 N239 V245 M246L237-C242 WeakPolarHBondContact O-CB 3.48Å; N239-C242 PolarHBondContact ND2-SG 3.41Å; N239-C242 PolarHBondContact O-N 2.83Å; N239-C242 PolarHBondContact OD1-N 3.12Å; C242-V245 PolarHBondContact O-N 3.15Å; C242-M246 WeakPolarHBondContact O-CG 3.48Å; C242-M246 PolarHBondContact O-N 2.91Å
243F90.9Very high92Very high46 Ų4653.6 Ų53.620%0.20227%0.267CS..Hα-helixtrans-63.1-42.3173.4178.7-101.9000112.7N239 L241 V245 M246 K247 I435 P436N239-F243 WeakPolarHBondContact O-CB 3.42Å; N239-F243 PolarHBondContact O-N 3.46Å; L241-F243 VanDerWaalsContact C-N 3.27Å; L241-F243 PolarHBondContact O-N 2.93Å; F243-V245 VanDerWaalsContact C-N 3.32Å; F243-V245 PolarHBondContact O-N 3.01Å; F243-M246 HydrophobicContact CB-CE 4.37Å; F243-M246 HydrophobicContact CD2-CE 4.26Å; F243-M246 PolarHBondContact O-N 3.45Å; F243-K247 HydrophobicContact CE1-CB 4.4Å; F243-K247 HydrophobicContact CE1-CD 4.22Å; F243-K247 HydrophobicContact CZ-CB 4.28Å; F243-K247 HydrophobicContact CZ-CD 4.36Å; F243-K247 WeakPolarHBondContact O-CB 3.47Å; F243-K247 PolarHBondContact O-N 2.87Å; F243-I435 HydrophobicContact CB-CD1 4.05Å; F243-P436 HydrophobicContact CD2-CG 3.95Å; F243-P436 HydrophobicContact CE1-CG 3.84Å; F243-P436 HydrophobicContact CE2-CG 3.18Å; F243-P436 HydrophobicContact CZ-CB 4.33Å; F243-P436 HydrophobicContact CZ-CG 3.14Å
244M91Very high91.9Very high83 Ų8354.2 Ų54.241%0.40927%0.272SS..Hα-helixtrans-58.7-44.2174.6-176.8-176.6-63.400111.5R240 L241 K247 Y248 F466R240-M244 WeakPolarHBondContact O-CB 3.36Å; R240-M244 PolarHBondContact O-N 3.04Å; L241-M244 WeakPolarHBondContact O-CB 3.38Å; L241-M244 PolarHBondContact O-N 3.45Å; L241-M244 VanDerWaalsContact O-N 3.1Å; M244-K247 PolarHBondContact O-N 3.49Å; M244-Y248 HydrophobicContact CG-CD2 3.61Å; M244-Y248 HydrophobicContact CG-CE2 3.72Å; M244-Y248 WeakPolarHBondContact O-CD2 3.19Å; M244-Y248 PolarHBondContact O-N 3.43Å; M244-F466 HydrophobicContact CE-CE2 3.7Å; M244-F466 HydrophobicContact CE-CZ 3.9Å
245V89.6Confident91.8Very high42 Ų4263 Ų6326%0.25531%0.305SS..Hα-helixtrans-64.1-43.9175.7175.70000111.1L241 C242 F243 K247 F249 F252 A253L241-V245 HydrophobicContact CD1-CG2 4.43Å; L241-V245 WeakPolarHBondContact O-CG2 3.43Å; L241-V245 PolarHBondContact O-N 3.43Å; C242-V245 PolarHBondContact O-N 3.15Å; F243-V245 VanDerWaalsContact C-N 3.32Å; F243-V245 PolarHBondContact O-N 3.01Å; V245-K247 VanDerWaalsContact C-N 3.31Å; V245-K247 PolarHBondContact O-N 3.38Å; V245-F249 HydrophobicContact CG1-CB 4.48Å; V245-F249 CarbonylContact O-C 3.29Å; V245-F249 VanDerWaalsContact O-C 3.28Å; V245-F249 VanDerWaalsContact O-CA 3.26Å; V245-F249 WeakPolarHBondContact O-CA 3.28Å; V245-F249 WeakPolarHBondContact O-CB 3.46Å; V245-F249 PolarHBondContact O-N 2.91Å; V245-F252 HydrophobicContact CG1-CD1 4.07Å; V245-A253 HydrophobicContact CG1-CB 4.43Å
246M90Very high91.7Very high35 Ų3567.8 Ų67.817%0.17232%0.324CS..Hα-helixtrans-60.9-39.8175.2-75.3-172.3-65.500112.3C242 F243 P250 A253 F279C242-M246 WeakPolarHBondContact O-CG 3.48Å; C242-M246 PolarHBondContact O-N 2.91Å; F243-M246 HydrophobicContact CB-CE 4.37Å; F243-M246 HydrophobicContact CD2-CE 4.26Å; F243-M246 PolarHBondContact O-N 3.45Å; M246-P250 VanDerWaalsContact O-CA 3.29Å; M246-P250 WeakPolarHBondContact O-CA 3.37Å; M246-P250 WeakPolarHBondContact O-CB 3.46Å; M246-A253 HydrophobicContact CB-CB 4.34Å; M246-A253 HydrophobicContact CG-CB 3.61Å; M246-F279 HydrophobicContact CG-CE2 4.2Å; M246-F279 HydrophobicContact CG-CZ 4.28Å; M246-F279 HydrophobicContact SD-CD1 4.32Å; M246-F279 HydrophobicContact SD-CD2 4.48Å; M246-F279 HydrophobicContact SD-CE1 3.76Å; M246-F279 HydrophobicContact SD-CE2 3.93Å; M246-F279 HydrophobicContact SD-CZ 3.53Å; M246-F279 VanDerWaalsContact SD-CZ 3.53Å
247K90.3Very high91.8Very high128 Ų12866.7 Ų66.756%0.55732%0.319SS*.Hα-helixtrans-68.2-46.1-179.6-179.1176.2179.3177.80112.5F243 M244 V245F243-K247 HydrophobicContact CE1-CB 4.4Å; F243-K247 HydrophobicContact CE1-CD 4.22Å; F243-K247 HydrophobicContact CZ-CB 4.28Å; F243-K247 HydrophobicContact CZ-CD 4.36Å; F243-K247 WeakPolarHBondContact O-CB 3.47Å; F243-K247 PolarHBondContact O-N 2.87Å; M244-K247 PolarHBondContact O-N 3.49Å; V245-K247 VanDerWaalsContact C-N 3.31Å; V245-K247 PolarHBondContact O-N 3.38Å
248Y92.1Very high91.9Very high147 Ų14767.9 Ų67.958%0.57632%0.324SS*.Hα-helixtrans-93.7-22.4-174.2-64.5-63.7000113.7M244M244-Y248 HydrophobicContact CG-CD2 3.61Å; M244-Y248 HydrophobicContact CG-CE2 3.72Å; M244-Y248 WeakPolarHBondContact O-CD2 3.19Å; M244-Y248 PolarHBondContact O-N 3.43Å
249F92.7Very high91.9Very high132 Ų13274.8 Ų74.858%0.57935%0.354SS*.  trans-136.158.4-178.2-51.8-75.7000111.9V245 S251 F252 A253V245-F249 HydrophobicContact CG1-CB 4.48Å; V245-F249 CarbonylContact O-C 3.29Å; V245-F249 VanDerWaalsContact O-C 3.28Å; V245-F249 VanDerWaalsContact O-CA 3.26Å; V245-F249 WeakPolarHBondContact O-CA 3.28Å; V245-F249 WeakPolarHBondContact O-CB 3.46Å; V245-F249 PolarHBondContact O-N 2.91Å; F249-S251 PolarHBondContact O-N 3.18Å; F249-F252 HydrophobicContact CB-CB 4.08Å; F249-F252 PolarHBondContact O-N 2.91Å; F249-F252 VanDerWaalsContact O-N 3.13Å; F249-A253 PolarHBondContact O-N 3.17Å
250P90.9Very high91.9Very high76 Ų7676.7 Ų76.749%0.49436%0.361SS..Hα-helixtrans-58.3-41.5-171.921.8-33.6000113.5M246 F252 A253 S254M246-P250 VanDerWaalsContact O-CA 3.29Å; M246-P250 WeakPolarHBondContact O-CA 3.37Å; M246-P250 WeakPolarHBondContact O-CB 3.46Å; P250-F252 VanDerWaalsContact C-N 3.34Å; P250-F252 PolarHBondContact O-N 3.23Å; P250-A253 PolarHBondContact O-N 2.88Å; P250-S254 WeakPolarHBondContact O-CB 3.35Å; P250-S254 PolarHBondContact O-N 3.26Å
251S91.3Very high92Very high93 Ų9375.5 Ų75.565%0.6536%0.356SS*.Hα-helixtrans-65.5-35.9179.6-50.60000112.8F249 R255F249-S251 PolarHBondContact O-N 3.18Å; S251-R255 WeakPolarHBondContact O-CB 3.12Å; S251-R255 PolarHBondContact O-N 2.72Å
252F88.6Confident92.3Very high139 Ų13974.4 Ų74.461%0.6135%0.351SS*.Hα-helixtrans-68-46.9175.9177.4-98.2000110.7V245 F249 P250 S254 R255 Y256V245-F252 HydrophobicContact CG1-CD1 4.07Å; F249-F252 HydrophobicContact CB-CB 4.08Å; F249-F252 PolarHBondContact O-N 2.91Å; F249-F252 VanDerWaalsContact O-N 3.13Å; P250-F252 VanDerWaalsContact C-N 3.34Å; P250-F252 PolarHBondContact O-N 3.23Å; F252-S254 PolarHBondContact O-N 2.79Å; F252-R255 PolarHBondContact O-N 3.22Å; F252-Y256 WeakPolarHBondContact O-CB 3.19Å; F252-Y256 PolarHBondContact O-N 2.87Å
253A90.5Very high92.5Very high8 Ų876.1 Ų76.17%0.06637%0.368CS..Hα-helixtrans-60.9-44.2176.900000111.9V245 M246 F249 P250 Y256 V257 F279V245-A253 HydrophobicContact CG1-CB 4.43Å; M246-A253 HydrophobicContact CB-CB 4.34Å; M246-A253 HydrophobicContact CG-CB 3.61Å; F249-A253 PolarHBondContact O-N 3.17Å; P250-A253 PolarHBondContact O-N 2.88Å; A253-Y256 PolarHBondContact O-N 3.2Å; A253-V257 PolarHBondContact O-N 3.32Å; A253-V257 VanDerWaalsContact O-N 3.08Å; A253-F279 HydrophobicContact CB-CE2 3.99Å
254S93.5Very high92.6Very high19 Ų1978.1 Ų78.113%0.13337%0.374CS..Hα-helixtrans-58.8-51.8177.8-157.70000110.4P250 F252 Y256 V257 E258 V278P250-S254 WeakPolarHBondContact O-CB 3.35Å; P250-S254 PolarHBondContact O-N 3.26Å; F252-S254 PolarHBondContact O-N 2.79Å; S254-Y256 VanDerWaalsContact C-N 3.3Å; S254-Y256 PolarHBondContact O-N 3.44Å; S254-V257 PolarHBondContact O-N 2.99Å; S254-E258 WeakPolarHBondContact O-CB 3.15Å; S254-E258 WeakPolarHBondContact O-CG 3.28Å; S254-E258 PolarHBondContact O-N 3.05Å; S254-E258 PolarHBondContact OG-OE1 2.96Å; S254-V278 PolarHBondContact OG-N 2.93Å
255R93.8Very high92.8Very high184 Ų18474.6 Ų74.669%0.69436%0.357SS*.Hα-helixtrans-60.8-37.9180-175.1175.2-65.2160.41.2112.7S251 F252 F259S251-R255 WeakPolarHBondContact O-CB 3.12Å; S251-R255 PolarHBondContact O-N 2.72Å; F252-R255 PolarHBondContact O-N 3.22Å; R255-F259 WeakPolarHBondContact O-CB 3.4Å; R255-F259 PolarHBondContact O-N 3.19Å
256Y92.3Very high93.2Very high102 Ų10276 Ų7640%0.436%0.362SS..Hα-helixtrans-64.8-47.1177.3169.8-103.6000112.2F227 H228 F252 A253 S254 F259 Y260F227-Y256 HydrophobicContact CE1-CE1 4.3Å; H228-Y256 PolarHBondContact CD2-OH 2.71Å; H228-Y256 AromaticContact NE2-CZ 3.61Å; H228-Y256 PolarHBondContact NE2-OH 3.41Å; F252-Y256 WeakPolarHBondContact O-CB 3.19Å; F252-Y256 PolarHBondContact O-N 2.87Å; A253-Y256 PolarHBondContact O-N 3.2Å; S254-Y256 VanDerWaalsContact C-N 3.3Å; S254-Y256 PolarHBondContact O-N 3.44Å; Y256-F259 PolarHBondContact O-N 2.88Å; Y256-Y260 PolarHBondContact O-N 3.05Å; Y256-Y260 VanDerWaalsContact O-N 3.1Å
257V93.9Very high93.5Very high3 Ų374.3 Ų74.32%0.01835%0.354CS..Hα-helixtrans-67.9-43.3178175.10000110.5F223 L237 A253 S254 F259 Y260 L261 V278 F279F223-V257 HydrophobicContact CE1-CG1 3.78Å; F223-V257 HydrophobicContact CZ-CG1 3.83Å; L237-V257 HydrophobicContact CD1-CG2 4.36Å; L237-V257 HydrophobicContact CD2-CG2 4.34Å; A253-V257 PolarHBondContact O-N 3.32Å; A253-V257 VanDerWaalsContact O-N 3.08Å; S254-V257 PolarHBondContact O-N 2.99Å; V257-F259 VanDerWaalsContact C-N 3.33Å; V257-F259 PolarHBondContact O-N 3.32Å; V257-Y260 WeakPolarHBondContact O-CB 3.4Å; V257-Y260 PolarHBondContact O-N 3.49Å; V257-Y260 VanDerWaalsContact O-N 3.15Å; V257-L261 HydrophobicContact CG1-CD1 4.23Å; V257-L261 HydrophobicContact CG1-CG 4.26Å; V257-L261 WeakPolarHBondContact O-CG 3.42Å; V257-L261 PolarHBondContact O-N 2.87Å; V257-V278 HydrophobicContact CB-CG1 3.97Å; V257-V278 HydrophobicContact CG1-CG1 4.01Å; V257-V278 HydrophobicContact CG1-CG2 3.91Å; V257-F279 HydrophobicContact CB-CZ 4.21Å; V257-F279 HydrophobicContact CG2-CE2 4.36Å; V257-F279 HydrophobicContact CG2-CZ 3.68Å
258E95.8Very high93.9Very high38 Ų3870.5 Ų70.518%0.17835%0.347CS..Hα-helixtrans-58.8-42.4174.5-71.9164.8-15400112.1W221 S254 Y260 L261 N262 G277 V278W221-E258 HydrophobicContact CD2-CG 4.43Å; W221-E258 HydrophobicContact CH2-CB 4.31Å; W221-E258 HydrophobicContact CH2-CG 4.01Å; W221-E258 HydrophobicContact CZ2-CG 3.83Å; W221-E258 HydrophobicContact CZ3-CG 4.4Å; S254-E258 WeakPolarHBondContact O-CB 3.15Å; S254-E258 WeakPolarHBondContact O-CG 3.28Å; S254-E258 PolarHBondContact O-N 3.05Å; S254-E258 PolarHBondContact OG-OE1 2.96Å; E258-Y260 VanDerWaalsContact C-N 3.33Å; E258-Y260 PolarHBondContact O-N 3.22Å; E258-L261 PolarHBondContact O-N 2.94Å; E258-N262 WeakPolarHBondContact O-CB 3.48Å; E258-N262 PolarHBondContact O-N 2.8Å; E258-N262 PolarHBondContact O-ND2 2.73Å; E258-G277 WeakPolarHBondContact OE1-CA 3.48Å; E258-V278 HydrophobicContact CG-CB 3.84Å; E258-V278 HydrophobicContact CG-CG1 4.02Å; E258-V278 PolarHBondContact OE1-N 3.3Å; E258-V278 VanDerWaalsContact OE1-N 3.11Å
259F95.1Very high94.1Very high150 Ų15070.1 Ų70.166%0.65835%0.354SS*.Hα-helixtrans-58.1-47174.6171.6-96.5000111.1R255 Y256 V257 N262 A263R255-F259 WeakPolarHBondContact O-CB 3.4Å; R255-F259 PolarHBondContact O-N 3.19Å; Y256-F259 PolarHBondContact O-N 2.88Å; V257-F259 VanDerWaalsContact C-N 3.33Å; V257-F259 PolarHBondContact O-N 3.32Å; F259-N262 PolarHBondContact O-N 3.25Å; F259-A263 WeakPolarHBondContact O-CB 3.26Å; F259-A263 PolarHBondContact O-N 3.21Å
260Y93.6Very high94.3Very high52 Ų5266.2 Ų66.220%0.20434%0.336CS..Hα-helixtrans-62.1-46.7177.8-177.7-81.5000112F227 H228 Y256 V257 E258 N262 A263 R264F227-Y260 WeakPolarHBondContact CA-OH 3.11Å; F227-Y260 HydrophobicContact CB-CE1 4.38Å; F227-Y260 HydrophobicContact CD1-CD2 4.25Å; F227-Y260 HydrophobicContact CD1-CE1 4.49Å; F227-Y260 HydrophobicContact CD1-CE2 4.2Å; F227-Y260 HydrophobicContact CD1-CG 4.41Å; F227-Y260 AromaticContact CD2-CD1 3.27Å; F227-Y260 HydrophobicContact CD2-CD1 3.27Å; F227-Y260 HydrophobicContact CD2-CD2 4.37Å; F227-Y260 AromaticContact CD2-CE1 3.19Å; F227-Y260 HydrophobicContact CD2-CE1 3.19Å; F227-Y260 HydrophobicContact CD2-CE2 4.31Å; F227-Y260 AromaticContact CD2-CG 3.89Å; F227-Y260 HydrophobicContact CD2-CG 3.89Å; F227-Y260 AromaticContact CD2-CZ 3.78Å; F227-Y260 HydrophobicContact CE1-CD1 4.27Å; F227-Y260 AromaticContact CE1-CD2 3.92Å; F227-Y260 HydrophobicContact CE1-CD2 3.92Å; F227-Y260 HydrophobicContact CE1-CE2 4.34Å; F227-Y260 AromaticContact CE1-CG 3.88Å; F227-Y260 HydrophobicContact CE1-CG 3.88Å; F227-Y260 AromaticContact CE2-CD1 2.95Å; F227-Y260 HydrophobicContact CE2-CD1 2.95Å; F227-Y260 HydrophobicContact CE2-CD2 4.08Å; F227-Y260 AromaticContact CE2-CE1 3.48Å; F227-Y260 HydrophobicContact CE2-CE1 3.48Å; F227-Y260 VanDerWaalsContact CE2-CE1 3.48Å; F227-Y260 HydrophobicContact CE2-CE2 4.48Å; F227-Y260 AromaticContact CE2-CG 3.32Å; F227-Y260 HydrophobicContact CE2-CG 3.32Å; F227-Y260 HydrophobicContact CG-CD1 4.07Å; F227-Y260 HydrophobicContact CG-CD2 4.44Å; F227-Y260 AromaticContact CG-CE1 3.77Å; F227-Y260 HydrophobicContact CG-CE1 3.77Å; F227-Y260 HydrophobicContact CG-CE2 4.17Å; F227-Y260 HydrophobicContact CG-CG 4.4Å; F227-Y260 AromaticContact CG-CZ 3.84Å; F227-Y260 AromaticContact CZ-CD1 3.51Å; F227-Y260 HydrophobicContact CZ-CD1 3.51Å; F227-Y260 AromaticContact CZ-CD2 3.83Å; F227-Y260 HydrophobicContact CZ-CD2 3.83Å; F227-Y260 HydrophobicContact CZ-CE1 4.21Å; F227-Y260 HydrophobicContact CZ-CE2 4.48Å; F227-Y260 AromaticContact CZ-CG 3.29Å; F227-Y260 HydrophobicContact CZ-CG 3.29Å; F227-Y260 PolarHBondContact O-OH 3.16Å; H228-Y260 AromaticContact CE1-CD2 3.49Å; H228-Y260 VanDerWaalsContact CE1-CD2 3.49Å; H228-Y260 WeakPolarHBondContact CE1-CD2 3.29Å; H228-Y260 AromaticContact CE1-CE2 3.71Å; H228-Y260 AromaticContact ND1-CD2 3.87Å; H228-Y260 AromaticContact ND1-CE2 3.59Å; H228-Y260 AromaticContact NE2-CD2 3.99Å; Y256-Y260 PolarHBondContact O-N 3.05Å; Y256-Y260 VanDerWaalsContact O-N 3.1Å; V257-Y260 WeakPolarHBondContact O-CB 3.4Å; V257-Y260 PolarHBondContact O-N 3.49Å; V257-Y260 VanDerWaalsContact O-N 3.15Å; E258-Y260 VanDerWaalsContact C-N 3.33Å; E258-Y260 PolarHBondContact O-N 3.22Å; Y260-N262 VanDerWaalsContact C-N 3.32Å; Y260-N262 PolarHBondContact O-N 3.4Å; Y260-A263 WeakPolarHBondContact O-CB 3.45Å; Y260-A263 PolarHBondContact O-N 2.91Å; Y260-R264 PolarHBondContact O-N 2.98Å
261L95.8Very high94.5Very high2 Ų265.2 Ų65.21%0.0134%0.34CS..Hα-helixtrans-61.7-42179.9-65.6-175.9000111.4W221 F223 V257 E258 A263 R264 F265 V278W221-L261 HydrophobicContact CB-CD1 4.03Å; W221-L261 HydrophobicContact CE3-CD1 4.31Å; F223-L261 HydrophobicContact CD1-CD1 4.49Å; F223-L261 HydrophobicContact CD1-CD2 3.9Å; F223-L261 HydrophobicContact CD2-CD1 4.13Å; F223-L261 HydrophobicContact CE1-CD1 4.2Å; F223-L261 HydrophobicContact CE1-CD2 4.2Å; F223-L261 HydrophobicContact CE2-CD1 3.83Å; F223-L261 HydrophobicContact CG-CD1 4.46Å; F223-L261 HydrophobicContact CG-CD2 4.1Å; F223-L261 HydrophobicContact CZ-CD1 3.88Å; V257-L261 HydrophobicContact CG1-CD1 4.23Å; V257-L261 HydrophobicContact CG1-CG 4.26Å; V257-L261 WeakPolarHBondContact O-CG 3.42Å; V257-L261 PolarHBondContact O-N 2.87Å; E258-L261 PolarHBondContact O-N 2.94Å; L261-A263 VanDerWaalsContact C-N 3.35Å; L261-R264 WeakPolarHBondContact O-CB 3.41Å; L261-R264 PolarHBondContact O-N 3.44Å; L261-F265 PolarHBondContact O-N 2.86Å; L261-V278 HydrophobicContact CD1-CG2 3.84Å
262N96.5Very high94.8Very high44 Ų4460.9 Ų60.924%0.23531%0.309CS..Hα-helixtrans-70.5-29176.4-72.3-61.3000113.3W221 E258 F259 Y260 R264 F265 D266 H267W221-N262 WeakPolarHBondContact CZ3-ND2 3.36Å; E258-N262 WeakPolarHBondContact O-CB 3.48Å; E258-N262 PolarHBondContact O-N 2.8Å; E258-N262 PolarHBondContact O-ND2 2.73Å; F259-N262 PolarHBondContact O-N 3.25Å; Y260-N262 VanDerWaalsContact C-N 3.32Å; Y260-N262 PolarHBondContact O-N 3.4Å; N262-R264 VanDerWaalsContact C-N 3.27Å; N262-R264 PolarHBondContact O-N 3.14Å; N262-F265 VanDerWaalsContact CA-O 3.31Å; N262-F265 WeakPolarHBondContact CA-O 3.27Å; N262-F265 CarbonylContact O-C 3.57Å; N262-F265 PolarHBondContact O-N 3.45Å; N262-D266 PolarHBondContact O-N 2.82Å; N262-H267 PolarHBondContact OD1-N 3.38Å
263A93.9Very high95.2Very high76 Ų7661.2 Ų61.263%0.62831%0.306SS*.Hα-helixtrans-67.2-2917400000112.3F259 Y260 L261F259-A263 WeakPolarHBondContact O-CB 3.26Å; F259-A263 PolarHBondContact O-N 3.21Å; Y260-A263 WeakPolarHBondContact O-CB 3.45Å; Y260-A263 PolarHBondContact O-N 2.91Å; L261-A263 VanDerWaalsContact C-N 3.35Å
264R93.1Very high95.5Very high87 Ų8761.2 Ų61.233%0.32831%0.306SS..Hα-helixtrans-70.2-48.1169.8-177.4-174.8166.1-148.7-6.7110.8G224 Y260 L261 N262 S286 D287G224-R264 VanDerWaalsContact CA-NH1 3.31Å; G224-R264 VanDerWaalsContact N-NH1 3.11Å; Y260-R264 PolarHBondContact O-N 2.98Å; L261-R264 WeakPolarHBondContact O-CB 3.41Å; L261-R264 PolarHBondContact O-N 3.44Å; N262-R264 VanDerWaalsContact C-N 3.27Å; N262-R264 PolarHBondContact O-N 3.14Å; R264-S286 PolarHBondContact NH1-O 3.46Å; R264-S286 PolarHBondContact NH2-O 2.93Å; R264-D287 PolarHBondContact NH2-O 2.94Å
265F95.9Very high95.5Very high10 Ų1070.3 Ų70.34%0.04435%0.346CS..SBendtrans-165.4140.5169.372.9-76.5000110.4T222 L261 N262 H267 Y270 I272 P290T222-F265 WeakPolarHBondContact OG1-CE1 3.48Å; T222-F265 WeakPolarHBondContact OG1-CZ 3.48Å; L261-F265 PolarHBondContact O-N 2.86Å; N262-F265 VanDerWaalsContact CA-O 3.31Å; N262-F265 WeakPolarHBondContact CA-O 3.27Å; N262-F265 CarbonylContact O-C 3.57Å; N262-F265 PolarHBondContact O-N 3.45Å; F265-H267 AromaticContact CE1-CE1 3.68Å; F265-H267 AromaticContact CZ-CE1 3.64Å; F265-H267 AromaticContact CZ-NE2 3.78Å; F265-H267 PolarHBondContact O-N 2.96Å; F265-H267 PolarHBondContact O-ND1 2.63Å; F265-H267 VanDerWaalsContact O-ND1 3.1Å; F265-Y270 HydrophobicContact CB-CD2 4.41Å; F265-Y270 HydrophobicContact CB-CE2 3.87Å; F265-Y270 AromaticContact CD2-CD1 3.74Å; F265-Y270 HydrophobicContact CD2-CD1 3.74Å; F265-Y270 AromaticContact CD2-CD2 3.67Å; F265-Y270 HydrophobicContact CD2-CD2 3.67Å; F265-Y270 AromaticContact CD2-CE1 3.99Å; F265-Y270 HydrophobicContact CD2-CE1 3.99Å; F265-Y270 AromaticContact CD2-CE2 3.91Å; F265-Y270 HydrophobicContact CD2-CE2 3.91Å; F265-Y270 AromaticContact CD2-CG 3.56Å; F265-Y270 HydrophobicContact CD2-CG 3.56Å; F265-Y270 HydrophobicContact CE2-CD1 4.06Å; F265-Y270 HydrophobicContact CE2-CD2 4.49Å; F265-Y270 AromaticContact CE2-CG 3.97Å; F265-Y270 HydrophobicContact CE2-CG 3.97Å; F265-Y270 HydrophobicContact CG-CE2 4.4Å; F265-I272 HydrophobicContact CE2-CD1 3.73Å; F265-I272 HydrophobicContact CE2-CG1 4.49Å; F265-I272 HydrophobicContact CZ-CD1 3.92Å; F265-P290 HydrophobicContact CB-CB 4.21Å; F265-P290 HydrophobicContact CB-CG 4.42Å; F265-P290 HydrophobicContact CD1-CB 3.98Å; F265-P290 HydrophobicContact CD1-CG 3.26Å; F265-P290 HydrophobicContact CD2-CB 4.23Å; F265-P290 HydrophobicContact CD2-CG 4.11Å; F265-P290 HydrophobicContact CE1-CB 4.38Å; F265-P290 HydrophobicContact CE1-CG 3.31Å; F265-P290 HydrophobicContact CE2-CG 4.12Å; F265-P290 HydrophobicContact CG-CB 3.87Å; F265-P290 HydrophobicContact CG-CG 3.66Å; F265-P290 HydrophobicContact CZ-CG 3.72Å
266D96.9Very high95.5Very high70 Ų7063.4 Ų63.437%0.37432%0.32SS..  trans-71.9114.5-176.7-178.7-14.2000111N262 A268 L269 Y270N262-D266 PolarHBondContact O-N 2.82Å; D266-A268 PolarHBondContact O-N 3.42Å; D266-A268 WeakPolarHBondContact OD1-CA 3.34Å; D266-A268 VanDerWaalsContact OD1-CB 3.32Å; D266-A268 WeakPolarHBondContact OD1-CB 3.36Å; D266-A268 PolarHBondContact OD1-N 2.99Å; D266-L269 HydrophobicContact CB-CB 3.8Å; D266-L269 PolarHBondContact O-N 2.96Å; D266-L269 PolarHBondContact OD1-N 3.06Å; D266-Y270 WeakPolarHBondContact O-CD2 3.4Å; D266-Y270 PolarHBondContact O-N 2.86Å; D266-Y270 VanDerWaalsContact O-N 3.07Å
267H97.7Very high95.6Very high0 Ų059.2 Ų59.20%031%0.308CS..THydrogen-bonded Turntrans-65.9-26.7-176.9-71.955.3000112.5W221 T222 N262 F265 G271 I272 R273W221-H267 HydrophobicContact CE3-CB 4.33Å; W221-H267 AromaticContact CE3-CD2 3.72Å; W221-H267 AromaticContact CE3-CG 3.82Å; W221-H267 HydrophobicContact CZ3-CB 3.98Å; W221-H267 AromaticContact CZ3-CG 3.84Å; T222-H267 PolarHBondContact N-NE2 2.99Å; T222-H267 PolarHBondContact OG1-NE2 3.07Å; N262-H267 PolarHBondContact OD1-N 3.38Å; F265-H267 AromaticContact CE1-CE1 3.68Å; F265-H267 AromaticContact CZ-CE1 3.64Å; F265-H267 AromaticContact CZ-NE2 3.78Å; F265-H267 PolarHBondContact O-N 2.96Å; F265-H267 PolarHBondContact O-ND1 2.63Å; F265-H267 VanDerWaalsContact O-ND1 3.1Å; H267-G271 PolarHBondContact O-N 2.75Å; H267-I272 HydrophobicContact CB-CG1 4.14Å; H267-I272 CarbonylContact O-C 3.47Å; H267-I272 PolarHBondContact O-N 3.43Å; H267-R273 HydrophobicContact CB-CB 4.05Å; H267-R273 PolarHBondContact O-N 3.32Å
268A97.4Very high95.6Very high49 Ų4959.2 Ų59.241%0.40531%0.308SS..THydrogen-bonded Turntrans-73.5-45.5175.800000110.6D266 Y270 G271 R273D266-A268 PolarHBondContact O-N 3.42Å; D266-A268 WeakPolarHBondContact OD1-CA 3.34Å; D266-A268 VanDerWaalsContact OD1-CB 3.32Å; D266-A268 WeakPolarHBondContact OD1-CB 3.36Å; D266-A268 PolarHBondContact OD1-N 2.99Å; A268-Y270 PolarHBondContact O-N 3.44Å; A268-G271 PolarHBondContact O-N 3.29Å; A268-R273 HydrophobicContact CB-CB 4.1Å
269L96.9Very high95.5Very high138 Ų13858.3 Ų58.372%0.72330%0.304SS*.THydrogen-bonded Turntrans-58.5-34175.7-179.662.5000112D266 G271D266-L269 HydrophobicContact CB-CB 3.8Å; D266-L269 PolarHBondContact O-N 2.96Å; D266-L269 PolarHBondContact OD1-N 3.06Å; L269-G271 VanDerWaalsContact C-N 3.33Å
270Y96.9Very high95.4Very high50 Ų5055.1 Ų55.120%0.19629%0.291CS..THydrogen-bonded Turntrans-88.44.8179.3-77.5-117.5000113.6F265 D266 A268 I272 P290 I293 T294F265-Y270 HydrophobicContact CB-CD2 4.41Å; F265-Y270 HydrophobicContact CB-CE2 3.87Å; F265-Y270 AromaticContact CD2-CD1 3.74Å; F265-Y270 HydrophobicContact CD2-CD1 3.74Å; F265-Y270 AromaticContact CD2-CD2 3.67Å; F265-Y270 HydrophobicContact CD2-CD2 3.67Å; F265-Y270 AromaticContact CD2-CE1 3.99Å; F265-Y270 HydrophobicContact CD2-CE1 3.99Å; F265-Y270 AromaticContact CD2-CE2 3.91Å; F265-Y270 HydrophobicContact CD2-CE2 3.91Å; F265-Y270 AromaticContact CD2-CG 3.56Å; F265-Y270 HydrophobicContact CD2-CG 3.56Å; F265-Y270 HydrophobicContact CE2-CD1 4.06Å; F265-Y270 HydrophobicContact CE2-CD2 4.49Å; F265-Y270 AromaticContact CE2-CG 3.97Å; F265-Y270 HydrophobicContact CE2-CG 3.97Å; F265-Y270 HydrophobicContact CG-CE2 4.4Å; D266-Y270 WeakPolarHBondContact O-CD2 3.4Å; D266-Y270 PolarHBondContact O-N 2.86Å; D266-Y270 VanDerWaalsContact O-N 3.07Å; A268-Y270 PolarHBondContact O-N 3.44Å; Y270-I272 VanDerWaalsContact C-N 3.32Å; Y270-I272 PolarHBondContact O-N 3.42Å; Y270-P290 HydrophobicContact CE1-CB 3.95Å; Y270-I293 HydrophobicContact CD1-CB 3.96Å; Y270-I293 HydrophobicContact CD1-CD1 4Å; Y270-I293 HydrophobicContact CD1-CG2 3.73Å; Y270-I293 HydrophobicContact CE1-CB 4.19Å; Y270-I293 HydrophobicContact CE1-CG2 4.17Å; Y270-T294 HydrophobicContact CE1-CG2 3.79Å; Y270-T294 WeakPolarHBondContact OH-CG2 3.41Å
271G95.8Very high95.3Very high56 Ų5652.9 Ų52.958%0.57728%0.283SS*.THydrogen-bonded Turntrans69.422.7175.100000115.1H267 A268 L269H267-G271 PolarHBondContact O-N 2.75Å; A268-G271 PolarHBondContact O-N 3.29Å; L269-G271 VanDerWaalsContact C-N 3.33Å
272I96.9Very high95Very high1 Ų154.1 Ų54.11%0.00529%0.289CS..  trans-124.65-17760.2164.9000113.8F194 G219 G220 T222 F265 H267 Y270 P274 L289 V300F194-I272 HydrophobicContact CE2-CB 4.38Å; F194-I272 HydrophobicContact CE2-CG2 3.9Å; F194-I272 HydrophobicContact CZ-CB 3.91Å; F194-I272 HydrophobicContact CZ-CD1 4.08Å; F194-I272 HydrophobicContact CZ-CG2 3.89Å; G219-I272 CarbonylContact C-O 3.47Å; G219-I272 VanDerWaalsContact CA-O 3.31Å; G219-I272 WeakPolarHBondContact CA-O 3.38Å; G220-I272 PolarHBondContact N-O 2.93Å; T222-I272 HydrophobicContact CG2-CD1 3.96Å; F265-I272 HydrophobicContact CE2-CD1 3.73Å; F265-I272 HydrophobicContact CE2-CG1 4.49Å; F265-I272 HydrophobicContact CZ-CD1 3.92Å; H267-I272 HydrophobicContact CB-CG1 4.14Å; H267-I272 CarbonylContact O-C 3.47Å; H267-I272 PolarHBondContact O-N 3.43Å; Y270-I272 VanDerWaalsContact C-N 3.32Å; Y270-I272 PolarHBondContact O-N 3.42Å; I272-P274 WeakPolarHBondContact O-CD 3.35Å; I272-L289 HydrophobicContact CD1-CD2 3.99Å; I272-V300 HydrophobicContact CG2-CB 4.45Å; I272-V300 HydrophobicContact CG2-CG1 3.8Å; I272-V300 HydrophobicContact CG2-CG2 3.94Å
273R97.2Very high94.7Very high147 Ų14752.2 Ų52.256%0.55528%0.279SS*.  trans-65.5123.5178.5178.2172.7179.3175.70.8110.5W221 H267 A268W221-R273 HydrophobicContact CH2-CG 4.3Å; H267-R273 HydrophobicContact CB-CB 4.05Å; H267-R273 PolarHBondContact O-N 3.32Å; A268-R273 HydrophobicContact CB-CB 4.1Å
274P96.2Very high94.7Very high8 Ų848.9 Ų48.95%0.05225%0.251CS..  trans-82.6167.3173.735.4-36.3000112.4R218 W221 I272 Y276R218-P274 WeakPolarHBondContact O-CA 3.36Å; R218-P274 WeakPolarHBondContact O-CB 3.37Å; W221-P274 HydrophobicContact CD2-CG 4.27Å; W221-P274 HydrophobicContact CG-CG 4.13Å; W221-P274 HydrophobicContact CZ2-CG 4.48Å; W221-P274 VanDerWaalsContact NE1-CG 3.34Å; I272-P274 WeakPolarHBondContact O-CD 3.35Å; P274-Y276 VanDerWaalsContact C-N 3.33Å; P274-Y276 HydrophobicContact CB-CD1 3.57Å; P274-Y276 HydrophobicContact CB-CD2 4.18Å; P274-Y276 HydrophobicContact CB-CE1 3.22Å; P274-Y276 HydrophobicContact CB-CE2 3.87Å; P274-Y276 HydrophobicContact CB-CG 4.05Å; P274-Y276 HydrophobicContact CG-CD1 4.36Å; P274-Y276 HydrophobicContact CG-CD2 4.1Å; P274-Y276 HydrophobicContact CG-CE1 4.05Å; P274-Y276 HydrophobicContact CG-CE2 3.74Å; P274-Y276 HydrophobicContact CG-CG 4.39Å
275E94.8Very high94.8Very high210 Ų21045 Ų4598%0.98124%0.236SC*.SBendtrans-77-17.6172.5-64.1179.8171.500113.7
276Y93.8Very high94.9Very high38 Ų3844.9 Ų44.915%0.14924%0.237CC..SBendtrans-96.2153.4-17859-97.6000112R218 G219 G220 W221 P274 Q280 A281 V423R218-Y276 HydrophobicContact CG-CE1 4.4Å; G219-Y276 PolarHBondContact O-OH 3.44Å; G220-Y276 VanDerWaalsContact CA-OH 3.25Å; G220-Y276 WeakPolarHBondContact CA-OH 3.47Å; W221-Y276 AromaticContact CD1-CE2 3.97Å; W221-Y276 PolarHBondContact NE1-O 3.43Å; P274-Y276 VanDerWaalsContact C-N 3.33Å; P274-Y276 HydrophobicContact CB-CD1 3.57Å; P274-Y276 HydrophobicContact CB-CD2 4.18Å; P274-Y276 HydrophobicContact CB-CE1 3.22Å; P274-Y276 HydrophobicContact CB-CE2 3.87Å; P274-Y276 HydrophobicContact CB-CG 4.05Å; P274-Y276 HydrophobicContact CG-CD1 4.36Å; P274-Y276 HydrophobicContact CG-CD2 4.1Å; P274-Y276 HydrophobicContact CG-CE1 4.05Å; P274-Y276 HydrophobicContact CG-CE2 3.74Å; P274-Y276 HydrophobicContact CG-CG 4.39Å; Y276-Q280 HydrophobicContact CD2-CB 4.29Å; Y276-A281 HydrophobicContact CD2-CB 3.92Å; Y276-A281 HydrophobicContact CE2-CB 3.27Å; Y276-V423 HydrophobicContact CD1-CG2 3.31Å; Y276-V423 HydrophobicContact CD2-CG2 4.2Å; Y276-V423 HydrophobicContact CE1-CG2 3.82Å; Y276-V423 HydrophobicContact CG-CG2 3.53Å
277G94.1Very high94.8Very high14 Ų1444 Ų4414%0.14423%0.232CC..  trans-72.6160.7175.600000113.4E258 F279 Q280E258-G277 WeakPolarHBondContact OE1-CA 3.48Å; G277-F279 PolarHBondContact O-N 3.05Å; G277-Q280 WeakPolarHBondContact O-CB 3.23Å; G277-Q280 PolarHBondContact O-N 3.03Å
278V94.1Very high94.8Very high3 Ų346.7 Ų46.72%0.01825%0.247CC..G310 helixtrans-58.3-28-168.870.10000115.8W221 F223 S254 V257 E258 L261W221-V278 HydrophobicContact CB-CG2 3.88Å; W221-V278 VanDerWaalsContact CD1-CA 3.41Å; W221-V278 HydrophobicContact CD2-CB 4.49Å; W221-V278 HydrophobicContact CG-CB 4.07Å; W221-V278 HydrophobicContact CG-CG2 3.95Å; F223-V278 HydrophobicContact CE2-CG2 3.61Å; F223-V278 HydrophobicContact CZ-CG2 3.41Å; F223-V278 VanDerWaalsContact CZ-CG2 3.41Å; S254-V278 PolarHBondContact OG-N 2.93Å; V257-V278 HydrophobicContact CB-CG1 3.97Å; V257-V278 HydrophobicContact CG1-CG1 4.01Å; V257-V278 HydrophobicContact CG1-CG2 3.91Å; E258-V278 HydrophobicContact CG-CB 3.84Å; E258-V278 HydrophobicContact CG-CG1 4.02Å; E258-V278 PolarHBondContact OE1-N 3.3Å; E258-V278 VanDerWaalsContact OE1-N 3.11Å; L261-V278 HydrophobicContact CD1-CG2 3.84Å
279F92.4Very high94.8Very high20 Ų2044.4 Ų44.49%0.08823%0.227CC..G310 helixtrans-95.59.2179.6-58.3-58.2000114.6M246 A253 V257 G277 W377 R421M246-F279 HydrophobicContact CG-CE2 4.2Å; M246-F279 HydrophobicContact CG-CZ 4.28Å; M246-F279 HydrophobicContact SD-CD1 4.32Å; M246-F279 HydrophobicContact SD-CD2 4.48Å; M246-F279 HydrophobicContact SD-CE1 3.76Å; M246-F279 HydrophobicContact SD-CE2 3.93Å; M246-F279 HydrophobicContact SD-CZ 3.53Å; M246-F279 VanDerWaalsContact SD-CZ 3.53Å; A253-F279 HydrophobicContact CB-CE2 3.99Å; V257-F279 HydrophobicContact CB-CZ 4.21Å; V257-F279 HydrophobicContact CG2-CE2 4.36Å; V257-F279 HydrophobicContact CG2-CZ 3.68Å; G277-F279 PolarHBondContact O-N 3.05Å; F279-W377 AromaticContact CE1-CZ2 3.94Å; F279-W377 HydrophobicContact CE1-CZ2 3.94Å; F279-R421 PolarHBondContact O-NE 3.36Å
280Q92.8Very high94.8Very high82 Ų8238.5 Ų38.538%0.38320%0.197SC..G310 helixtrans-1014.3179.5-59.8-172.5-8000113.1Y276 G277 R421 Y422 V423Y276-Q280 HydrophobicContact CD2-CB 4.29Å; G277-Q280 WeakPolarHBondContact O-CB 3.23Å; G277-Q280 PolarHBondContact O-N 3.03Å; Q280-R421 WeakPolarHBondContact CA-O 3.34Å; Q280-R421 WeakPolarHBondContact CB-O 3.46Å; Q280-R421 WeakPolarHBondContact CG-O 3.48Å; Q280-Y422 CarbonylContact O-C 3.51Å; Q280-Y422 WeakPolarHBondContact O-CA 3.29Å; Q280-V423 PolarHBondContact O-N 2.99Å
281A92.5Very high94.8Very high6 Ų638.6 Ų38.65%0.0521%0.205CC..SBendtrans-143164169.200000109.8Y276Y276-A281 HydrophobicContact CD2-CB 3.92Å; Y276-A281 HydrophobicContact CE2-CB 3.27Å
282H90.1Very high94.9Very high27 Ų2738.2 Ų38.213%0.12519%0.186CC..  trans-68.7137.1174.3-17276.2000110.8T284 Q375 P376 Q431H282-T284 PolarHBondContact O-N 3.39Å; H282-Q375 WeakPolarHBondContact CE1-CG 3.39Å; H282-Q375 VanDerWaalsContact CG-OE1 3.25Å; H282-Q375 VanDerWaalsContact ND1-CG 3.29Å; H282-Q375 WeakPolarHBondContact ND1-CG 3.5Å; H282-P376 PolarHBondContact CE1-O 3.23Å; H282-Q431 PolarHBondContact ND1-OE1 3.07Å
283P89.1Confident94.9Very high5 Ų539.7 Ų39.73%0.03219%0.194CC..  trans-54.8138.5177.9-2836.5000112.2F223 L285 W377F223-P283 HydrophobicContact CD2-CB 3.98Å; F223-P283 HydrophobicContact CE2-CB 4.12Å; F223-P283 HydrophobicContact CE2-CG 4.49Å; P283-L285 HydrophobicContact CB-CD1 4.11Å; P283-W377 VanDerWaalsContact CD-CD1 3.48Å; P283-W377 HydrophobicContact CG-CG 4.26Å
284T94.9Very high94.9Very high5 Ų537.1 Ų37.13%0.03120%0.195CC..EExtended strand (participates in β ladder)trans-113.4119.5170.9-63.70000107.3F194 N196 M199 T222 F223 H282 R427F194-T284 HydrophobicContact CD1-CG2 4.48Å; F194-T284 PolarHBondContact O-OG1 2.59Å; N196-T284 WeakPolarHBondContact OD1-CA 3.4Å; M199-T284 HydrophobicContact CE-CG2 4.48Å; M199-T284 HydrophobicContact CG-CG2 3.29Å; M199-T284 HydrophobicContact SD-CG2 3.95Å; T222-T284 CarbonylContact C-O 3.32Å; T222-T284 VanDerWaalsContact CA-O 3.24Å; T222-T284 WeakPolarHBondContact CA-O 3.4Å; F223-T284 PolarHBondContact N-O 3.39Å; H282-T284 PolarHBondContact O-N 3.39Å; T284-R427 PolarHBondContact OG1-NH2 2.98Å
285L95.7Very high94.8Very high6 Ų640 Ų403%0.03122%0.215CC..EExtended strand (participates in β ladder)trans-99.2133.5-175.2-71.985.6000110.7N62 N196 M199 F223 R225 Y233 P283N62-L285 HydrophobicContact CB-CD1 3.99Å; N62-L285 HydrophobicContact CB-CD2 3.64Å; N62-L285 HydrophobicContact CB-CG 4.25Å; N62-L285 VanDerWaalsContact O-CD2 3.31Å; N62-L285 WeakPolarHBondContact O-CD2 3.36Å; N196-L285 PolarHBondContact OD1-N 2.93Å; M199-L285 WeakPolarHBondContact CB-O 3.34Å; F223-L285 HydrophobicContact CB-CG 4.16Å; F223-L285 CarbonylContact O-C 3.59Å; F223-L285 WeakPolarHBondContact O-CA 3.44Å; R225-L285 HydrophobicContact CG-CD2 3.97Å; Y233-L285 HydrophobicContact CD1-CD2 4.37Å; Y233-L285 HydrophobicContact CE1-CD2 3.62Å; P283-L285 HydrophobicContact CB-CD1 4.11Å
286S96.7Very high94.9Very high8 Ų832.6 Ų32.66%0.05619%0.19CC..  trans-159.2121.6168.2-167.50000111.1F223 R264 L289F223-S286 PolarHBondContact O-N 3.41Å; R264-S286 PolarHBondContact NH1-O 3.46Å; R264-S286 PolarHBondContact NH2-O 2.93Å; S286-L289 WeakPolarHBondContact OG-CB 3.42Å; S286-L289 PolarHBondContact OG-N 2.92Å
287D95.9Very high95Very high51 Ų5132 Ų3227%0.27319%0.192SC..SBendtrans-81.2-28.3172.2-63-49.1000112.4G224 R225 R264G224-D287 VanDerWaalsContact CA-OD1 3.31Å; G224-D287 WeakPolarHBondContact CA-OD1 3.38Å; R225-D287 IonicContact CZ-OD2 2.76Å; R225-D287 PolarHBondContact N-OD1 3.35Å; R225-D287 IonicContact NE-OD2 3.8Å; R225-D287 PolarHBondContact NE-OD2 2.92Å; R225-D287 IonicContact NH2-OD2 3.82Å; R225-D287 PolarHBondContact NH2-OD2 3.48Å; R264-D287 PolarHBondContact NH2-O 2.94Å
288D96.5Very high95.2Very high57 Ų5731.3 Ų31.331%0.30519%0.186SC..SBendtrans-97.7-21.8-169.6-77.9-10.3000113.7T203 R207 P290 S291 R292T203-D288 HydrophobicContact CG2-CB 4.13Å; R207-D288 IonicContact CZ-OD2 2.59Å; R207-D288 IonicContact NE-OD2 2.81Å; R207-D288 IonicContact NH2-OD1 3.99Å; R207-D288 IonicContact NH2-OD2 3.58Å; R207-D288 PolarHBondContact NH2-OD2 2.89Å; D288-P290 VanDerWaalsContact C-CD 3.47Å; D288-S291 WeakPolarHBondContact O-CB 3.46Å; D288-S291 PolarHBondContact O-N 2.82Å; D288-R292 HydrophobicContact CB-CG 4.34Å; D288-R292 WeakPolarHBondContact O-CG 3.5Å; D288-R292 PolarHBondContact O-N 3.27Å; D288-R292 VanDerWaalsContact O-N 3.07Å
289L97.3Very high95.4Very high0 Ų033.2 Ų33.20%020%0.197CC..Hα-helixtrans-46.2-50.9-172.8-178.475.6000113.8M199 T203 L214 T222 I272 S286 S291 R292 I293 L298M199-L289 HydrophobicContact SD-CD1 4.07Å; M199-L289 HydrophobicContact SD-CD2 3.86Å; M199-L289 HydrophobicContact SD-CG 4.41Å; T203-L289 HydrophobicContact CG2-CB 4.23Å; T203-L289 HydrophobicContact CG2-CD1 4.37Å; L214-L289 HydrophobicContact CD2-CD1 4.2Å; T222-L289 HydrophobicContact CG2-CD2 3.78Å; I272-L289 HydrophobicContact CD1-CD2 3.99Å; S286-L289 WeakPolarHBondContact OG-CB 3.42Å; S286-L289 PolarHBondContact OG-N 2.92Å; L289-S291 VanDerWaalsContact C-N 3.32Å; L289-S291 PolarHBondContact O-N 3.16Å; L289-R292 PolarHBondContact O-N 3.5Å; L289-I293 HydrophobicContact CD1-CD1 3.99Å; L289-I293 HydrophobicContact CD1-CG1 4.42Å; L289-I293 HydrophobicContact CD2-CD1 4.43Å; L289-I293 HydrophobicContact CG-CD1 3.86Å; L289-I293 WeakPolarHBondContact O-CG1 3.36Å; L289-I293 PolarHBondContact O-N 3.29Å; L289-L298 HydrophobicContact CD1-CD2 3.44Å; L289-L298 VanDerWaalsContact CD1-CD2 3.44Å
290P96.8Very high95.7Very high14 Ų1433.9 Ų33.99%0.09120%0.203CC..Hα-helixtrans-61.8-42.3-177-22.636.1000111.8F265 Y270 D288 R292 I293 T294F265-P290 HydrophobicContact CB-CB 4.21Å; F265-P290 HydrophobicContact CB-CG 4.42Å; F265-P290 HydrophobicContact CD1-CB 3.98Å; F265-P290 HydrophobicContact CD1-CG 3.26Å; F265-P290 HydrophobicContact CD2-CB 4.23Å; F265-P290 HydrophobicContact CD2-CG 4.11Å; F265-P290 HydrophobicContact CE1-CB 4.38Å; F265-P290 HydrophobicContact CE1-CG 3.31Å; F265-P290 HydrophobicContact CE2-CG 4.12Å; F265-P290 HydrophobicContact CG-CB 3.87Å; F265-P290 HydrophobicContact CG-CG 3.66Å; F265-P290 HydrophobicContact CZ-CG 3.72Å; Y270-P290 HydrophobicContact CE1-CB 3.95Å; D288-P290 VanDerWaalsContact C-CD 3.47Å; P290-R292 VanDerWaalsContact C-N 3.31Å; P290-R292 PolarHBondContact O-N 3.25Å; P290-I293 PolarHBondContact O-N 2.93Å; P290-T294 WeakPolarHBondContact O-CG2 3.35Å; P290-T294 PolarHBondContact O-N 3.47Å; P290-T294 PolarHBondContact O-OG1 2.89Å; P290-T294 VanDerWaalsContact O-OG1 3.07Å
291S97Very high96Very high52 Ų5231 Ų3136%0.36419%0.189SC..Hα-helixtrans-62.6-40.5179.3177.70000111.4D288 L289 T294 S295D288-S291 WeakPolarHBondContact O-CB 3.46Å; D288-S291 PolarHBondContact O-N 2.82Å; L289-S291 VanDerWaalsContact C-N 3.32Å; L289-S291 PolarHBondContact O-N 3.16Å; S291-T294 WeakPolarHBondContact CA-OG1 3.27Å; S291-T294 PolarHBondContact O-OG1 2.92Å; S291-S295 PolarHBondContact O-N 2.67Å; S291-S295 VanDerWaalsContact O-N 3.15Å; S291-S295 PolarHBondContact O-OG 3.29Å
292R97.6Very high96.2Very high48 Ų4833 Ų3318%0.18120%0.201CC..Hα-helixtrans-69.3-35.8-179.9-57.8-52.392.91802.2112.6T203 S206 D288 L289 P290 S295 A297 L298T203-R292 HydrophobicContact CG2-CG 4.09Å; S206-R292 WeakPolarHBondContact OG-CD 3.47Å; S206-R292 VanDerWaalsContact OG-CG 3.22Å; S206-R292 WeakPolarHBondContact OG-CG 3.44Å; D288-R292 HydrophobicContact CB-CG 4.34Å; D288-R292 WeakPolarHBondContact O-CG 3.5Å; D288-R292 PolarHBondContact O-N 3.27Å; D288-R292 VanDerWaalsContact O-N 3.07Å; L289-R292 PolarHBondContact O-N 3.5Å; P290-R292 VanDerWaalsContact C-N 3.31Å; P290-R292 PolarHBondContact O-N 3.25Å; R292-S295 PolarHBondContact O-OG 3.07Å; R292-A297 PolarHBondContact O-N 3.47Å; R292-L298 HydrophobicContact CB-CB 3.87Å; R292-L298 HydrophobicContact CB-CD2 4.5Å; R292-L298 PolarHBondContact O-N 2.77Å
293I97.8Very high96.6Very high33 Ų3334.1 Ų34.117%0.16921%0.207CC..Hα-helixtrans-69.3-47.5174.8-66.2170.4000110.5Y270 L289 P290 S295 A296 L298 V300Y270-I293 HydrophobicContact CD1-CB 3.96Å; Y270-I293 HydrophobicContact CD1-CD1 4Å; Y270-I293 HydrophobicContact CD1-CG2 3.73Å; Y270-I293 HydrophobicContact CE1-CB 4.19Å; Y270-I293 HydrophobicContact CE1-CG2 4.17Å; L289-I293 HydrophobicContact CD1-CD1 3.99Å; L289-I293 HydrophobicContact CD1-CG1 4.42Å; L289-I293 HydrophobicContact CD2-CD1 4.43Å; L289-I293 HydrophobicContact CG-CD1 3.86Å; L289-I293 WeakPolarHBondContact O-CG1 3.36Å; L289-I293 PolarHBondContact O-N 3.29Å; P290-I293 PolarHBondContact O-N 2.93Å; I293-S295 VanDerWaalsContact C-N 3.26Å; I293-S295 PolarHBondContact O-N 3.48Å; I293-A296 WeakPolarHBondContact O-CA 3.41Å; I293-A296 PolarHBondContact O-N 3.29Å; I293-L298 WeakPolarHBondContact CA-O 3.48Å; I293-L298 HydrophobicContact CG1-CB 4.49Å; I293-L298 HydrophobicContact CG1-CD2 4.29Å; I293-V300 HydrophobicContact CD1-CG2 3.66Å; I293-V300 HydrophobicContact CG1-CG2 4.18Å
294T96.2Very high97Very high93 Ų9334.6 Ų34.657%0.57121%0.21SC*.Hα-helixtrans-63.2-30.7-178.549.80000113.7Y270 P290 S291 A296Y270-T294 HydrophobicContact CE1-CG2 3.79Å; Y270-T294 WeakPolarHBondContact OH-CG2 3.41Å; P290-T294 WeakPolarHBondContact O-CG2 3.35Å; P290-T294 PolarHBondContact O-N 3.47Å; P290-T294 PolarHBondContact O-OG1 2.89Å; P290-T294 VanDerWaalsContact O-OG1 3.07Å; S291-T294 WeakPolarHBondContact CA-OG1 3.27Å; S291-T294 PolarHBondContact O-OG1 2.92Å; T294-A296 PolarHBondContact O-N 3.12Å
295S95.7Very high97.2Very high69 Ų6937.4 Ų37.448%0.48323%0.229SC..THydrogen-bonded Turntrans-84.26175.272.30000113S291 R292 I293 A297S291-S295 PolarHBondContact O-N 2.67Å; S291-S295 VanDerWaalsContact O-N 3.15Å; S291-S295 PolarHBondContact O-OG 3.29Å; R292-S295 PolarHBondContact O-OG 3.07Å; I293-S295 VanDerWaalsContact C-N 3.26Å; I293-S295 PolarHBondContact O-N 3.48Å; S295-A297 PolarHBondContact O-N 2.99Å; S295-A297 WeakPolarHBondContact OG-CB 3.44Å
296A96.2Very high97.3Very high53 Ų5338 Ų3844%0.43823%0.234SC..THydrogen-bonded Turntrans53.918-172.800000114.5K211 I293 T294 L298K211-A296 PolarHBondContact NZ-O 2.99Å; I293-A296 WeakPolarHBondContact O-CA 3.41Å; I293-A296 PolarHBondContact O-N 3.29Å; T294-A296 PolarHBondContact O-N 3.12Å; A296-L298 VanDerWaalsContact C-N 3.29Å
297A96.3Very high97.4Very high25 Ų2538.1 Ų38.121%0.20723%0.234CC..SBendtrans-73.7-28.9176.300000111V212 R292 S295V212-A297 PolarHBondContact N-O 3.08Å; R292-A297 PolarHBondContact O-N 3.47Å; S295-A297 PolarHBondContact O-N 2.99Å; S295-A297 WeakPolarHBondContact OG-CB 3.44Å
298L98.3Very high97.5Very high1 Ų137.6 Ų37.61%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-121.1129172.9-174.868.6000109.9A202 V212 L214 L289 R292 I293 A296A202-L298 HydrophobicContact CB-CD1 3.88Å; A202-L298 HydrophobicContact CB-CD2 4.2Å; V212-L298 HydrophobicContact CB-CD1 3.66Å; V212-L298 HydrophobicContact CG1-CD1 3.37Å; V212-L298 WeakPolarHBondContact O-CA 3.4Å; L214-L298 HydrophobicContact CB-CD1 4Å; L214-L298 HydrophobicContact CB-CD2 4.43Å; L214-L298 HydrophobicContact CB-CG 4.31Å; L214-L298 HydrophobicContact CD2-CD2 4.26Å; L289-L298 HydrophobicContact CD1-CD2 3.44Å; L289-L298 VanDerWaalsContact CD1-CD2 3.44Å; R292-L298 HydrophobicContact CB-CB 3.87Å; R292-L298 HydrophobicContact CB-CD2 4.5Å; R292-L298 PolarHBondContact O-N 2.77Å; I293-L298 WeakPolarHBondContact CA-O 3.48Å; I293-L298 HydrophobicContact CG1-CB 4.49Å; I293-L298 HydrophobicContact CG1-CD2 4.29Å; A296-L298 VanDerWaalsContact C-N 3.29Å
299V98.2Very high97.5Very high43 Ų4341.3 Ų41.326%0.26125%0.246SC..EExtended strand (participates in β ladder)trans-114.1123.9176.9178.60000109.4K211 V212 F213 L214 K301K211-V299 VanDerWaalsContact CE-CG2 3.44Å; V212-V299 PolarHBondContact O-N 2.69Å; F213-V299 CarbonylContact C-O 3.51Å; F213-V299 VanDerWaalsContact CA-O 3.3Å; F213-V299 WeakPolarHBondContact CA-O 3.29Å; F213-V299 HydrophobicContact CD1-CB 3.87Å; F213-V299 HydrophobicContact CD1-CG1 4.22Å; F213-V299 HydrophobicContact CE1-CB 4.15Å; F213-V299 HydrophobicContact CE1-CG1 4.43Å; F213-V299 HydrophobicContact CE1-CG2 4.49Å; L214-V299 PolarHBondContact N-O 3.04Å; V299-K301 HydrophobicContact CG1-CD 4.01Å
300V98.2Very high97.5Very high33 Ų3347 Ų4720%0.227%0.271CS..EExtended strand (participates in β ladder)trans-79.3135.6175.5-177.80000109.3L214 T216 I272 I293L214-V300 CarbonylContact O-C 3.56Å; L214-V300 WeakPolarHBondContact O-CA 3.43Å; T216-V300 HydrophobicContact CG2-CG1 4.13Å; I272-V300 HydrophobicContact CG2-CB 4.45Å; I272-V300 HydrophobicContact CG2-CG1 3.8Å; I272-V300 HydrophobicContact CG2-CG2 3.94Å; I293-V300 HydrophobicContact CD1-CG2 3.66Å; I293-V300 HydrophobicContact CG1-CG2 4.18Å
301K98.4Very high97.5Very high23 Ų2346.3 Ų46.310%0.127%0.266CS..EExtended strand (participates in β ladder)trans-128.2157.9177.1-55.3-70.9-77-162.50109.7F213 L214 S215 T216 V299 F314 S318 E320F213-K301 HydrophobicContact CB-CG 4.32Å; F213-K301 HydrophobicContact CD1-CD 4.3Å; F213-K301 HydrophobicContact CD1-CG 4.11Å; L214-K301 PolarHBondContact O-N 3.38Å; S215-K301 WeakPolarHBondContact CA-O 3.33Å; T216-K301 PolarHBondContact N-O 2.83Å; T216-K301 VanDerWaalsContact N-O 3.12Å; V299-K301 HydrophobicContact CG1-CD 4.01Å; K301-F314 HydrophobicContact CB-CD1 3.67Å; K301-F314 HydrophobicContact CB-CD2 4.35Å; K301-F314 HydrophobicContact CB-CE1 3.42Å; K301-F314 VanDerWaalsContact CB-CE1 3.42Å; K301-F314 HydrophobicContact CB-CE2 4.16Å; K301-F314 HydrophobicContact CB-CG 4.12Å; K301-F314 HydrophobicContact CB-CZ 3.68Å; K301-F314 HydrophobicContact CD-CD2 4.46Å; K301-F314 HydrophobicContact CD-CE2 4.18Å; K301-F314 HydrophobicContact CD-CZ 4.39Å; K301-F314 HydrophobicContact CG-CD2 4.49Å; K301-F314 HydrophobicContact CG-CE1 4Å; K301-F314 HydrophobicContact CG-CE2 3.99Å; K301-F314 HydrophobicContact CG-CZ 3.69Å; K301-S318 WeakPolarHBondContact CE-OG 3.48Å; K301-S318 PolarHBondContact NZ-OG 2.94Å; K301-S318 VanDerWaalsContact NZ-OG 3.1Å; K301-E320 IonicContact NZ-OE1 3.67Å; K301-E320 PolarHBondContact NZ-OE1 3.09Å
302T97.9Very high97.6Very high48 Ų4843.9 Ų43.929%0.29425%0.249SC..  trans-70.1-170.1175.555.10000111.6S215 T216 F314 T315 D316S215-T302 PolarHBondContact OG-O 2.84Å; T216-T302 CarbonylContact O-C 3.56Å; T302-F314 WeakPolarHBondContact O-CD1 3.4Å; T302-T315 WeakPolarHBondContact CB-OG1 3.4Å; T302-T315 PolarHBondContact OG1-OG1 3.31Å; T302-D316 HydrophobicContact CG2-CB 4.19Å; T302-D316 WeakPolarHBondContact CG2-OD2 3.49Å; T302-D316 PolarHBondContact OG1-N 3.45Å; T302-D316 PolarHBondContact OG1-OD2 3.06Å
303D97.3Very high97.7Very high49 Ų4943.6 Ų43.626%0.26225%0.251SS..  trans-63.4160.1175.6-157.21.8000111.2T216 R217 F314 T315T216-D303 PolarHBondContact O-N 2.94Å; R217-D303 HydrophobicContact CB-CB 4.35Å; R217-D303 WeakPolarHBondContact CD-OD2 3.37Å; R217-D303 HydrophobicContact CG-CB 4.1Å; R217-D303 WeakPolarHBondContact CG-OD1 3.43Å; R217-D303 VanDerWaalsContact CG-OD2 3.24Å; R217-D303 WeakPolarHBondContact CG-OD2 2.91Å; D303-F314 CarbonylContact O-C 3.59Å; D303-F314 VanDerWaalsContact O-CA 3.31Å; D303-F314 WeakPolarHBondContact O-CA 3.31Å; D303-T315 HydrophobicContact CB-CG2 3.82Å; D303-T315 PolarHBondContact N-OG1 2.65Å; D303-T315 PolarHBondContact O-N 2.87Å; D303-T315 PolarHBondContact O-OG1 3.11Å
304I98.1Very high97.7Very high16 Ų1642.1 Ų42.18%0.08224%0.243CC..EExtended strand (participates in β ladder)trans-84127.9179.3-63.9164.6000108.9L161 L190 V192 F307 V312 F314L161-I304 HydrophobicContact CD1-CD1 4.22Å; L190-I304 HydrophobicContact CD2-CD1 3.99Å; V192-I304 HydrophobicContact CB-CD1 4.38Å; V192-I304 HydrophobicContact CG1-CD1 3.86Å; V192-I304 HydrophobicContact CG2-CD1 3.57Å; I304-F307 HydrophobicContact CD1-CE2 4.01Å; I304-F307 HydrophobicContact CD1-CZ 3.81Å; I304-F307 HydrophobicContact CG2-CD2 4.1Å; I304-F307 HydrophobicContact CG2-CE2 3.77Å; I304-F307 HydrophobicContact CG2-CZ 4.37Å; I304-V312 HydrophobicContact CB-CG2 4.42Å; I304-V312 HydrophobicContact CG1-CG2 4.04Å; I304-V312 HydrophobicContact CG2-CG2 3.73Å; I304-F314 HydrophobicContact CG1-CD1 4.4Å; I304-F314 HydrophobicContact CG1-CE1 4.27Å
305S98.1Very high97.8Very high64 Ų6441.8 Ų41.845%0.44824%0.241SC..EExtended strand (participates in β ladder)trans-84.9-52.5169.6-177.50000110.5I313S305-I313 WeakPolarHBondContact CA-O 3.31Å; S305-I313 WeakPolarHBondContact CB-O 3.42Å; S305-I313 PolarHBondContact N-O 3.14Å
306S98.1Very high97.9Very high19 Ų1942.8 Ų42.813%0.13324%0.241CC..EExtended strand (participates in β ladder)trans-164.4157.1176.4550000112.5K162 I313K162-S306 CarbonylContact O-C 3.53Å; K162-S306 WeakPolarHBondContact O-CA 3.32Å; S306-I313 PolarHBondContact N-O 3.13Å; S306-I313 PolarHBondContact O-N 3.29Å
307F98.6Very high97.9Very high9 Ų942.9 Ų42.94%0.03925%0.247CC..EExtended strand (participates in β ladder)trans-87.3142.8167.8-71.9-92.3000111.3L161 K162 L164 F168 L190 I304 V312 V326L161-F307 HydrophobicContact CB-CD2 4.33Å; L161-F307 HydrophobicContact CB-CE2 3.95Å; L161-F307 HydrophobicContact CD1-CE2 4.04Å; K162-F307 PolarHBondContact O-N 3.19Å; L164-F307 HydrophobicContact CB-CD2 3.58Å; L164-F307 HydrophobicContact CB-CE2 3.77Å; L164-F307 HydrophobicContact CB-CG 4.15Å; L164-F307 HydrophobicContact CD1-CD1 4.11Å; L164-F307 HydrophobicContact CD1-CD2 4.19Å; L164-F307 HydrophobicContact CD1-CE1 3.94Å; L164-F307 HydrophobicContact CD1-CE2 3.98Å; L164-F307 HydrophobicContact CD1-CG 4.23Å; L164-F307 HydrophobicContact CD1-CZ 3.85Å; L164-F307 HydrophobicContact CD2-CE2 4.2Å; L164-F307 HydrophobicContact CD2-CZ 4.44Å; L164-F307 HydrophobicContact CG-CD2 4.39Å; L164-F307 HydrophobicContact CG-CE2 4.21Å; F168-F307 HydrophobicContact CB-CB 4.22Å; F168-F307 AromaticContact CD2-CD1 3.93Å; F168-F307 HydrophobicContact CD2-CD1 3.93Å; F168-F307 HydrophobicContact CE2-CD1 4.35Å; F168-F307 HydrophobicContact CG-CD1 4.18Å; L190-F307 HydrophobicContact CD2-CE1 3.85Å; L190-F307 HydrophobicContact CD2-CZ 3.92Å; I304-F307 HydrophobicContact CD1-CE2 4.01Å; I304-F307 HydrophobicContact CD1-CZ 3.81Å; I304-F307 HydrophobicContact CG2-CD2 4.1Å; I304-F307 HydrophobicContact CG2-CE2 3.77Å; I304-F307 HydrophobicContact CG2-CZ 4.37Å; F307-V312 HydrophobicContact CD1-CB 4.05Å; F307-V312 HydrophobicContact CD1-CG2 4.24Å; F307-V312 HydrophobicContact CE1-CB 4.05Å; F307-V312 HydrophobicContact CE1-CG2 4.06Å; F307-V312 HydrophobicContact CZ-CG2 4.31Å; F307-V326 HydrophobicContact CD1-CG2 4.42Å; F307-V326 HydrophobicContact CE1-CG1 4.3Å; F307-V326 HydrophobicContact CE1-CG2 3.52Å; F307-V326 HydrophobicContact CZ-CG1 4.01Å; F307-V326 HydrophobicContact CZ-CG2 4.09Å
308T97.8Very high98Very high40 Ų4043.4 Ų43.425%0.24525%0.249CC..  trans-94.9178.3163.974.70000108.8K310 G311 I313T308-K310 PolarHBondContact O-N 3.04Å; T308-K310 PolarHBondContact OG1-N 3.23Å; T308-G311 PolarHBondContact N-O 3Å; T308-G311 VanDerWaalsContact OG1-CA 3.31Å; T308-G311 WeakPolarHBondContact OG1-CA 3.39Å; T308-G311 PolarHBondContact OG1-N 3.24Å; T308-G311 PolarHBondContact OG1-O 3.39Å; T308-I313 HydrophobicContact CG2-CD1 3.93Å; T308-I313 HydrophobicContact CG2-CG1 3.84Å
309K97.7Very high98Very high136 Ų13648.5 Ų48.559%0.59127%0.273SS*.SBendtrans-56.6-34.1176.5-71-173.7171-164.90113.6S167 E169S167-K309 WeakPolarHBondContact O-CA 3.38Å; E169-K309 VanDerWaalsContact CB-O 3.31Å; E169-K309 WeakPolarHBondContact CB-O 3.47Å; E169-K309 HydrophobicContact CG-CB 4.22Å; E169-K309 WeakPolarHBondContact CG-O 3.39Å; E169-K309 PolarHBondContact N-O 2.93Å
310K97.1Very high98Very high119 Ų11948.3 Ų48.352%0.51727%0.269SS..SBendtrans-129.413.9-174.5-64.3-171.8177.1-176.50113.4E169 T308 D321 N322 I323E169-K310 WeakPolarHBondContact OE2-CE 3.36Å; T308-K310 PolarHBondContact O-N 3.04Å; T308-K310 PolarHBondContact OG1-N 3.23Å; K310-D321 CarbonylContact O-C 3.58Å; K310-N322 CarbonylContact O-C 3.47Å; K310-N322 WeakPolarHBondContact O-CA 3.4Å; K310-N322 PolarHBondContact O-N 2.88Å; K310-I323 PolarHBondContact O-N 2.8Å
311G97.7Very high98Very high0 Ų050.9 Ų50.90%028%0.282CS..EExtended strand (participates in β ladder)trans-167.6-166.1-169.200000113.2T308 E320T308-G311 PolarHBondContact N-O 3Å; T308-G311 VanDerWaalsContact OG1-CA 3.31Å; T308-G311 WeakPolarHBondContact OG1-CA 3.39Å; T308-G311 PolarHBondContact OG1-N 3.24Å; T308-G311 PolarHBondContact OG1-O 3.39Å; G311-E320 CarbonylContact C-O 3.52Å; G311-E320 WeakPolarHBondContact CA-O 3.32Å
312V98.5Very high97.9Very high1 Ų154.7 Ų54.71%0.00630%0.303CS..EExtended strand (participates in β ladder)trans-143.7141.6-175.460.20000110.8L190 I304 F307 F314 E319 E320 I323L190-V312 HydrophobicContact CD2-CB 4.27Å; L190-V312 HydrophobicContact CD2-CG1 4.02Å; L190-V312 HydrophobicContact CD2-CG2 4.16Å; I304-V312 HydrophobicContact CB-CG2 4.42Å; I304-V312 HydrophobicContact CG1-CG2 4.04Å; I304-V312 HydrophobicContact CG2-CG2 3.73Å; F307-V312 HydrophobicContact CD1-CB 4.05Å; F307-V312 HydrophobicContact CD1-CG2 4.24Å; F307-V312 HydrophobicContact CE1-CB 4.05Å; F307-V312 HydrophobicContact CE1-CG2 4.06Å; F307-V312 HydrophobicContact CZ-CG2 4.31Å; V312-F314 HydrophobicContact CB-CZ 4.41Å; V312-F314 HydrophobicContact CG1-CD2 4.43Å; V312-F314 HydrophobicContact CG1-CE1 4.21Å; V312-F314 HydrophobicContact CG1-CE2 3.48Å; V312-F314 VanDerWaalsContact CG1-CE2 3.48Å; V312-F314 HydrophobicContact CG1-CZ 3.36Å; V312-F314 HydrophobicContact CG2-CE1 4.24Å; V312-F314 HydrophobicContact CG2-CE2 4.48Å; V312-F314 HydrophobicContact CG2-CZ 4.19Å; V312-E319 WeakPolarHBondContact O-CA 3.28Å; V312-E320 HydrophobicContact CG1-CB 4.1Å; V312-E320 PolarHBondContact N-O 3.41Å; V312-E320 PolarHBondContact O-N 2.8Å; V312-I323 HydrophobicContact CG1-CG1 4.18Å
313I98.5Very high98Very high41 Ų4152.7 Ų52.721%0.2129%0.291CS..EExtended strand (participates in β ladder)trans-107.9127.6172.9-52.6178.9000107.3S305 S306 T308 E319S305-I313 WeakPolarHBondContact CA-O 3.31Å; S305-I313 WeakPolarHBondContact CB-O 3.42Å; S305-I313 PolarHBondContact N-O 3.14Å; S306-I313 PolarHBondContact N-O 3.13Å; S306-I313 PolarHBondContact O-N 3.29Å; T308-I313 HydrophobicContact CG2-CD1 3.93Å; T308-I313 HydrophobicContact CG2-CG1 3.84Å; I313-E319 HydrophobicContact CB-CG 4.38Å; I313-E319 HydrophobicContact CG1-CG 3.99Å; I313-E319 HydrophobicContact CG2-CG 4.19Å
314F98.5Very high98Very high2 Ų252.9 Ų52.91%0.00929%0.292CS..EExtended strand (participates in β ladder)trans-94.9164.3179.7-61.5-82000111.6L190 K301 T302 D303 I304 V312 D316 G317 S318 E320L190-F314 HydrophobicContact CD1-CE1 4.14Å; L190-F314 HydrophobicContact CD1-CZ 4Å; K301-F314 HydrophobicContact CB-CD1 3.67Å; K301-F314 HydrophobicContact CB-CD2 4.35Å; K301-F314 HydrophobicContact CB-CE1 3.42Å; K301-F314 VanDerWaalsContact CB-CE1 3.42Å; K301-F314 HydrophobicContact CB-CE2 4.16Å; K301-F314 HydrophobicContact CB-CG 4.12Å; K301-F314 HydrophobicContact CB-CZ 3.68Å; K301-F314 HydrophobicContact CD-CD2 4.46Å; K301-F314 HydrophobicContact CD-CE2 4.18Å; K301-F314 HydrophobicContact CD-CZ 4.39Å; K301-F314 HydrophobicContact CG-CD2 4.49Å; K301-F314 HydrophobicContact CG-CE1 4Å; K301-F314 HydrophobicContact CG-CE2 3.99Å; K301-F314 HydrophobicContact CG-CZ 3.69Å; T302-F314 WeakPolarHBondContact O-CD1 3.4Å; D303-F314 CarbonylContact O-C 3.59Å; D303-F314 VanDerWaalsContact O-CA 3.31Å; D303-F314 WeakPolarHBondContact O-CA 3.31Å; I304-F314 HydrophobicContact CG1-CD1 4.4Å; I304-F314 HydrophobicContact CG1-CE1 4.27Å; V312-F314 HydrophobicContact CB-CZ 4.41Å; V312-F314 HydrophobicContact CG1-CD2 4.43Å; V312-F314 HydrophobicContact CG1-CE1 4.21Å; V312-F314 HydrophobicContact CG1-CE2 3.48Å; V312-F314 VanDerWaalsContact CG1-CE2 3.48Å; V312-F314 HydrophobicContact CG1-CZ 3.36Å; V312-F314 HydrophobicContact CG2-CE1 4.24Å; V312-F314 HydrophobicContact CG2-CE2 4.48Å; V312-F314 HydrophobicContact CG2-CZ 4.19Å; F314-D316 WeakPolarHBondContact CB-OD1 3.22Å; F314-D316 PolarHBondContact O-N 2.85Å; F314-G317 PolarHBondContact O-N 2.85Å; F314-S318 WeakPolarHBondContact CD2-O 3.21Å; F314-S318 PolarHBondContact N-O 2.94Å; F314-E320 HydrophobicContact CE2-CB 4.14Å; F314-E320 HydrophobicContact CE2-CG 3.71Å; F314-E320 HydrophobicContact CZ-CG 4.42Å
315T98.1Very high98Very high87 Ų8752.3 Ų52.353%0.53429%0.289SS..THydrogen-bonded Turntrans-65.3-21.1-178.1500000114.7T302 D303T302-T315 WeakPolarHBondContact CB-OG1 3.4Å; T302-T315 PolarHBondContact OG1-OG1 3.31Å; D303-T315 HydrophobicContact CB-CG2 3.82Å; D303-T315 PolarHBondContact N-OG1 2.65Å; D303-T315 PolarHBondContact O-N 2.87Å; D303-T315 PolarHBondContact O-OG1 3.11Å
316D97.4Very high98.1Very high90 Ų9049.2 Ų49.248%0.48127%0.268SS..THydrogen-bonded Turntrans-82.81.7172.657.921.8000113.6T302 F314 S318T302-D316 HydrophobicContact CG2-CB 4.19Å; T302-D316 WeakPolarHBondContact CG2-OD2 3.49Å; T302-D316 PolarHBondContact OG1-N 3.45Å; T302-D316 PolarHBondContact OG1-OD2 3.06Å; F314-D316 WeakPolarHBondContact CB-OD1 3.22Å; F314-D316 PolarHBondContact O-N 2.85Å; D316-S318 VanDerWaalsContact C-N 3.27Å; D316-S318 PolarHBondContact O-N 3.19Å; D316-S318 WeakPolarHBondContact OD1-CB 3.35Å; D316-S318 PolarHBondContact OD1-N 3.24Å; D316-S318 PolarHBondContact OD1-OG 3.32Å
317G97.6Very high98.1Very high55 Ų5548.3 Ų48.357%0.56726%0.261SS*.SBendtrans81.3-1.2-177.700000114.4F314F314-G317 PolarHBondContact O-N 2.85Å
318S98.1Very high98.1Very high35 Ų3547.9 Ų47.925%0.24526%0.259CS..  trans-71.1152.3170.671.70000111K301 F314 D316K301-S318 WeakPolarHBondContact CE-OG 3.48Å; K301-S318 PolarHBondContact NZ-OG 2.94Å; K301-S318 VanDerWaalsContact NZ-OG 3.1Å; F314-S318 WeakPolarHBondContact CD2-O 3.21Å; F314-S318 PolarHBondContact N-O 2.94Å; D316-S318 VanDerWaalsContact C-N 3.27Å; D316-S318 PolarHBondContact O-N 3.19Å; D316-S318 WeakPolarHBondContact OD1-CB 3.35Å; D316-S318 PolarHBondContact OD1-N 3.24Å; D316-S318 PolarHBondContact OD1-OG 3.32Å
319E98.2Very high98.1Very high108 Ų10846.7 Ų46.751%0.50525%0.252SS..EExtended strand (participates in β ladder)trans-128.7148.6-178.4-57.2-170-177.800110.2V312 I313V312-E319 WeakPolarHBondContact O-CA 3.28Å; I313-E319 HydrophobicContact CB-CG 4.38Å; I313-E319 HydrophobicContact CG1-CG 3.99Å; I313-E319 HydrophobicContact CG2-CG 4.19Å
320E98.3Very high97.9Very high39 Ų3942.1 Ų42.118%0.18224%0.236CC..EExtended strand (participates in β ladder)trans-130.8116.4169.3-65.8-67.916400109.5R188 F213 K301 G311 V312 F314 I323R188-E320 IonicContact NH2-OE2 2.91Å; R188-E320 PolarHBondContact NH2-OE2 3.08Å; F213-E320 HydrophobicContact CD1-CG 3.92Å; F213-E320 HydrophobicContact CE1-CG 3.66Å; F213-E320 WeakPolarHBondContact CE1-OE1 3.18Å; F213-E320 VanDerWaalsContact CE1-OE2 3.25Å; F213-E320 WeakPolarHBondContact CE1-OE2 3.38Å; F213-E320 HydrophobicContact CE2-CG 4.44Å; F213-E320 HydrophobicContact CG-CG 4.43Å; F213-E320 HydrophobicContact CZ-CB 4.39Å; F213-E320 VanDerWaalsContact CZ-CD 3.45Å; F213-E320 HydrophobicContact CZ-CG 3.94Å; F213-E320 WeakPolarHBondContact CZ-OE2 3.43Å; K301-E320 IonicContact NZ-OE1 3.67Å; K301-E320 PolarHBondContact NZ-OE1 3.09Å; G311-E320 CarbonylContact C-O 3.52Å; G311-E320 WeakPolarHBondContact CA-O 3.32Å; V312-E320 HydrophobicContact CG1-CB 4.1Å; V312-E320 PolarHBondContact N-O 3.41Å; V312-E320 PolarHBondContact O-N 2.8Å; F314-E320 HydrophobicContact CE2-CB 4.14Å; F314-E320 HydrophobicContact CE2-CG 3.71Å; F314-E320 HydrophobicContact CZ-CG 4.42Å; E320-I323 HydrophobicContact CB-CD1 4.05Å; E320-I323 HydrophobicContact CB-CG1 4.46Å
321D97.3Very high97.8Very high87 Ų8737.7 Ų37.747%0.46522%0.224SC..EExtended strand (participates in β ladder)trans-87.4168.5176.3-69.9-44.5000112.4R188 K310 I323R188-D321 VanDerWaalsContact CZ-O 3.29Å; R188-D321 PolarHBondContact NE-O 3.44Å; R188-D321 PolarHBondContact NH2-O 3.39Å; K310-D321 CarbonylContact O-C 3.58Å; D321-I323 VanDerWaalsContact C-N 3.3Å; D321-I323 PolarHBondContact O-N 2.9Å
322N97.5Very high97.7Very high104 Ų10439.1 Ų39.156%0.55623%0.23SC*.  trans52.145177.7-55.4-58.6000112.6R188 K310 D324R188-N322 VanDerWaalsContact CB-O 3.25Å; R188-N322 WeakPolarHBondContact CB-O 3.34Å; R188-N322 WeakPolarHBondContact CD-O 3.5Å; R188-N322 PolarHBondContact NE-O 3.07Å; K310-N322 CarbonylContact O-C 3.47Å; K310-N322 WeakPolarHBondContact O-CA 3.4Å; K310-N322 PolarHBondContact O-N 2.88Å; N322-D324 PolarHBondContact O-N 3.41Å
323I98.5Very high97.5Very high5 Ų543.2 Ų43.23%0.02625%0.249CC..  trans-77116.9171.5-58.3-59.4000108F168 R188 L190 F213 K310 V312 E320 D321 V326F168-I323 HydrophobicContact CE2-CB 4.08Å; F168-I323 HydrophobicContact CE2-CG2 4.31Å; F168-I323 WeakPolarHBondContact CE2-O 3.29Å; F168-I323 HydrophobicContact CZ-CB 4.16Å; F168-I323 HydrophobicContact CZ-CG2 3.93Å; F168-I323 VanDerWaalsContact CZ-O 3.22Å; F168-I323 WeakPolarHBondContact CZ-O 3.48Å; R188-I323 HydrophobicContact CB-CD1 4.39Å; L190-I323 HydrophobicContact CB-CG2 3.96Å; F213-I323 HydrophobicContact CD2-CD1 3.73Å; F213-I323 HydrophobicContact CE2-CD1 3.77Å; K310-I323 PolarHBondContact O-N 2.8Å; V312-I323 HydrophobicContact CG1-CG1 4.18Å; E320-I323 HydrophobicContact CB-CD1 4.05Å; E320-I323 HydrophobicContact CB-CG1 4.46Å; D321-I323 VanDerWaalsContact C-N 3.3Å; D321-I323 PolarHBondContact O-N 2.9Å; I323-V326 HydrophobicContact CG2-CG2 4.03Å
324D98.4Very high97.3Very high53 Ų5341.8 Ų41.828%0.28324%0.241SC..  trans-81.3-40.3179.7-68.2-87.4000112.2Q171 K187 R188 N322Q171-D324 PolarHBondContact N-O 3.34Å; K187-D324 WeakPolarHBondContact CA-OD2 3.28Å; K187-D324 HydrophobicContact CB-CB 4.03Å; K187-D324 HydrophobicContact CD-CB 3.71Å; K187-D324 HydrophobicContact CG-CB 4.32Å; K187-D324 IonicContact NZ-OD1 3.15Å; K187-D324 PolarHBondContact NZ-OD1 2.91Å; K187-D324 VanDerWaalsContact NZ-OD1 3.15Å; R188-D324 PolarHBondContact N-OD2 3.38Å; R188-D324 PolarHBondContact O-N 3.46Å; N322-D324 PolarHBondContact O-N 3.41Å
325V98.5Very high97Very high4 Ų444.1 Ų44.12%0.02426%0.256CS..EExtended strand (participates in β ladder)trans-138.5134.7-173.5-167.50000111.8Q171 M173 F184 R188 V189 L190 I327Q171-V325 HydrophobicContact CB-CG1 4.33Å; Q171-V325 HydrophobicContact CB-CG2 4.38Å; Q171-V325 CarbonylContact O-C 3.47Å; Q171-V325 WeakPolarHBondContact O-CA 3.41Å; M173-V325 HydrophobicContact CE-CG1 4.04Å; F184-V325 HydrophobicContact CD1-CB 4.5Å; F184-V325 HydrophobicContact CD1-CG2 4.34Å; F184-V325 HydrophobicContact CE1-CB 4.11Å; F184-V325 HydrophobicContact CE1-CG1 3.76Å; F184-V325 HydrophobicContact CE1-CG2 4.19Å; R188-V325 PolarHBondContact O-N 3.15Å; V189-V325 CarbonylContact C-O 3.54Å; V189-V325 VanDerWaalsContact CA-O 3.32Å; V189-V325 WeakPolarHBondContact CA-O 3.37Å; V189-V325 HydrophobicContact CG1-CB 4.45Å; V189-V325 HydrophobicContact CG2-CB 4.46Å; L190-V325 PolarHBondContact N-O 2.94Å; V325-I327 HydrophobicContact CG1-CG1 4.2Å
326V98.7Very high96.9Very high0 Ų041 Ų410%024%0.235CC..EExtended strand (participates in β ladder)trans-111123.3171.3-1790000109.4L164 F168 Q171 F172 M173 L190 V192 F307 I323 L328L164-V326 HydrophobicContact CD1-CB 4.24Å; L164-V326 HydrophobicContact CD1-CG1 4.28Å; L164-V326 HydrophobicContact CD1-CG2 4.12Å; F168-V326 HydrophobicContact CD1-CG2 4.34Å; F168-V326 HydrophobicContact CE1-CB 4.48Å; F168-V326 HydrophobicContact CE1-CG2 3.59Å; F168-V326 HydrophobicContact CE2-CG2 4.47Å; F168-V326 HydrophobicContact CZ-CG2 3.68Å; Q171-V326 PolarHBondContact O-N 3.18Å; F172-V326 CarbonylContact C-O 3.57Å; F172-V326 VanDerWaalsContact CA-O 3.22Å; F172-V326 WeakPolarHBondContact CA-O 3.48Å; F172-V326 HydrophobicContact CB-CB 3.9Å; M173-V326 PolarHBondContact N-O 2.9Å; L190-V326 HydrophobicContact CB-CG2 4.34Å; L190-V326 HydrophobicContact CD2-CG1 4.39Å; L190-V326 HydrophobicContact CD2-CG2 4.37Å; L190-V326 CarbonylContact O-C 3.53Å; L190-V326 WeakPolarHBondContact O-CA 3.38Å; V192-V326 HydrophobicContact CG2-CG1 3.88Å; F307-V326 HydrophobicContact CD1-CG2 4.42Å; F307-V326 HydrophobicContact CE1-CG1 4.3Å; F307-V326 HydrophobicContact CE1-CG2 3.52Å; F307-V326 HydrophobicContact CZ-CG1 4.01Å; F307-V326 HydrophobicContact CZ-CG2 4.09Å; I323-V326 HydrophobicContact CG2-CG2 4.03Å; V326-L328 HydrophobicContact CG1-CD2 3.98Å
327I98.6Very high96.7Very high0 Ų042 Ų420%025%0.247CC..EExtended strand (participates in β ladder)trans-111.3109.3176.8-53.9177.4000109.5M173 Y178 F184 V189 L190 V191 V192 I201 L205 V325 C329M173-I327 HydrophobicContact CG-CG1 4.09Å; M173-I327 HydrophobicContact CG-CG2 4.48Å; M173-I327 CarbonylContact O-C 3.53Å; M173-I327 WeakPolarHBondContact O-CA 3.46Å; M173-I327 HydrophobicContact SD-CG1 4.44Å; Y178-I327 HydrophobicContact CD2-CD1 4.13Å; F184-I327 HydrophobicContact CE1-CD1 3.72Å; F184-I327 HydrophobicContact CE1-CG1 4.36Å; F184-I327 HydrophobicContact CZ-CD1 3.96Å; V189-I327 HydrophobicContact CG1-CD1 3.9Å; V189-I327 HydrophobicContact CG1-CG1 4.09Å; L190-I327 PolarHBondContact O-N 3.37Å; V191-I327 WeakPolarHBondContact CA-O 3.34Å; V192-I327 PolarHBondContact N-O 2.83Å; I201-I327 HydrophobicContact CD1-CG2 3.93Å; I201-I327 HydrophobicContact CG2-CD1 3.66Å; I201-I327 HydrophobicContact CG2-CG2 4.35Å; L205-I327 HydrophobicContact CD1-CD1 3.49Å; L205-I327 VanDerWaalsContact CD1-CD1 3.49Å; V325-I327 HydrophobicContact CG1-CG1 4.2Å; I327-C329 PolarHBondContact O-N 2.82Å
328L98.4Very high96.6Very high0 Ų040.2 Ų40.20%022%0.223CC..EExtended strand (participates in β ladder)trans-79.3112.3177.2-54.8176.1000109.5I158 L161 L164 F172 M173 H174 S175 V192 V326 T330I158-L328 HydrophobicContact CG2-CD1 3.87Å; L161-L328 HydrophobicContact CD1-CD2 3.89Å; L164-L328 HydrophobicContact CD2-CD1 4.17Å; L164-L328 HydrophobicContact CD2-CD2 4.06Å; F172-L328 HydrophobicContact CD2-CD1 4.29Å; M173-L328 PolarHBondContact O-N 2.78Å; H174-L328 CarbonylContact C-O 3.08Å; H174-L328 WeakPolarHBondContact CA-O 3.39Å; H174-L328 PolarHBondContact CD2-O 2.91Å; H174-L328 PolarHBondContact NE2-O 2.97Å; S175-L328 PolarHBondContact N-O 3.38Å; V192-L328 HydrophobicContact CB-CD2 4Å; V192-L328 HydrophobicContact CG1-CD2 4.46Å; V192-L328 HydrophobicContact CG2-CD2 4.01Å; V326-L328 HydrophobicContact CG1-CD2 3.98Å; L328-T330 VanDerWaalsContact C-N 3.33Å; L328-T330 HydrophobicContact CB-CG2 4.15Å
329C97.5Very high96.5Very high14 Ų1439.4 Ų39.410%0.09522%0.216CC..  trans-103.650171.2-61.10000109.4V192 A198 I327V192-C329 CarbonylContact O-C 3.52Å; V192-C329 WeakPolarHBondContact O-CA 3.48Å; V192-C329 WeakPolarHBondContact O-CB 3.37Å; V192-C329 PolarHBondContact O-N 2.71Å; A198-C329 HydrophobicContact CB-CB 3.65Å; I327-C329 PolarHBondContact O-N 2.82Å
330T95.5Very high96.2Very high40 Ų4038.6 Ų38.625%0.24522%0.215CC..  trans-93.6-1.1-164.4410000113.5Y157 P159 H174 V192 L328Y157-T330 WeakPolarHBondContact O-CB 3.4Å; Y157-T330 PolarHBondContact O-OG1 3.19Å; P159-T330 WeakPolarHBondContact CD-OG1 3.46Å; P159-T330 HydrophobicContact CG-CG2 3.78Å; H174-T330 PolarHBondContact CD2-OG1 2.88Å; V192-T330 HydrophobicContact CG1-CG2 4.48Å; L328-T330 VanDerWaalsContact C-N 3.33Å; L328-T330 HydrophobicContact CB-CG2 4.15Å
331G94.4Very high95.7Very high27 Ų2741 Ų4128%0.27824%0.236SC..  trans101-160172.500000112.2Y157 H174Y157-G331 PolarHBondContact N-O 3.41Å; H174-G331 PolarHBondContact CE1-O 3.21Å; H174-G331 PolarHBondContact NE2-N 3.43Å; H174-G331 PolarHBondContact NE2-O 3.16Å
332Y94.7Very high95.3Very high30 Ų3044.4 Ų44.412%0.11825%0.249CC..EExtended strand (participates in β ladder)trans-138.4155.7-172.9-62.9-92.6000110H152 H153 S155 H174 H176 N349H152-Y332 WeakPolarHBondContact O-CB 3.43Å; H153-Y332 VanDerWaalsContact C-CD1 3.48Å; H153-Y332 HydrophobicContact CB-CD1 4.49Å; H153-Y332 HydrophobicContact CB-CD2 4.44Å; H153-Y332 HydrophobicContact CB-CE1 4.41Å; H153-Y332 HydrophobicContact CB-CE2 4.37Å; H153-Y332 AromaticContact ND1-CD2 3.41Å; H153-Y332 WeakPolarHBondContact ND1-CD2 3.49Å; H153-Y332 AromaticContact ND1-CE2 3.7Å; H153-Y332 WeakPolarHBondContact O-CD1 3.36Å; H153-Y332 WeakPolarHBondContact O-CE1 3.31Å; S155-Y332 CarbonylContact O-C 3.47Å; S155-Y332 WeakPolarHBondContact O-CA 3.38Å; S155-Y332 WeakPolarHBondContact O-CB 3.26Å; S155-Y332 WeakPolarHBondContact O-CD1 3.43Å; H174-Y332 AromaticContact CE1-CE1 3.97Å; H174-Y332 AromaticContact CE1-CZ 3.81Å; H176-Y332 HydrophobicContact CB-CE1 3.93Å; H176-Y332 AromaticContact ND1-CE1 3.78Å; Y332-N349 PolarHBondContact O-ND2 2.83Å
333E94.3Very high95.1Very high87 Ų8740.2 Ų40.241%0.40723%0.227SC..EExtended strand (participates in β ladder)trans-89.9136.4170.3-61.5-176163.400109.7S155 Y157 T335 N349S155-E333 PolarHBondContact O-N 3.48Å; Y157-E333 HydrophobicContact CD2-CG 4.15Å; E333-T335 HydrophobicContact CB-CG2 4.06Å; E333-T335 PolarHBondContact O-N 3.36Å; E333-N349 WeakPolarHBondContact CA-OD1 3.39Å
334I94.4Very high94.9Very high10 Ų1040.5 Ų40.55%0.05123%0.229CC..  trans-79.9116.9171.1-61.8175.6000107H152 F336 V346 N349 L373 V430H152-I334 HydrophobicContact CB-CG1 3.94Å; I334-F336 HydrophobicContact CG2-CE2 4.09Å; I334-V346 HydrophobicContact CB-CG1 3.96Å; I334-V346 HydrophobicContact CG2-CG1 4.15Å; I334-V346 HydrophobicContact CG2-CG2 4.05Å; I334-V346 WeakPolarHBondContact O-CG1 3.4Å; I334-N349 HydrophobicContact CD1-CB 3.85Å; I334-N349 HydrophobicContact CG1-CB 4.13Å; I334-N349 PolarHBondContact N-OD1 2.9Å; I334-L373 HydrophobicContact CD1-CD1 4.06Å; I334-L373 HydrophobicContact CG1-CD1 4.17Å; I334-L373 HydrophobicContact CG2-CD1 4.05Å; I334-L373 HydrophobicContact CG2-CD2 3.78Å; I334-V430 HydrophobicContact CD1-CG1 4.25Å
335T93.1Very high94.5Very high52 Ų5242 Ų4232%0.31924%0.243SC..  trans-137.7151.4-177.362.50000111S155 E333S155-T335 PolarHBondContact OG-OG1 2.88Å; S155-T335 VanDerWaalsContact OG-OG1 3.05Å; E333-T335 HydrophobicContact CB-CG2 4.06Å; E333-T335 PolarHBondContact O-N 3.36Å
336F94.8Very high94.1Very high21 Ų2143.9 Ų43.99%0.09225%0.254CS..  trans-131.374.9172.1-61.9-83.6000108.2L148 I334 Y338 L339 I344 V346 I351 V370 L373L148-F336 HydrophobicContact CB-CE1 4.24Å; L148-F336 HydrophobicContact CD1-CD1 4.19Å; L148-F336 HydrophobicContact CD1-CE1 4.09Å; I334-F336 HydrophobicContact CG2-CE2 4.09Å; F336-Y338 HydrophobicContact CB-CE2 4.43Å; F336-Y338 HydrophobicContact CD1-CE2 4.37Å; F336-Y338 PolarHBondContact O-N 3.18Å; F336-L339 HydrophobicContact CB-CB 4.04Å; F336-L339 HydrophobicContact CB-CD1 3.82Å; F336-L339 HydrophobicContact CB-CG 4.13Å; F336-L339 HydrophobicContact CD1-CD1 4.27Å; F336-L339 HydrophobicContact CG-CD1 4.12Å; F336-L339 PolarHBondContact O-N 3.11Å; F336-I344 HydrophobicContact CD2-CB 4.3Å; F336-I344 HydrophobicContact CD2-CG2 3.88Å; F336-I344 HydrophobicContact CE2-CD1 4.49Å; F336-I344 HydrophobicContact CE2-CG2 3.69Å; F336-I344 HydrophobicContact CZ-CD1 4.48Å; F336-V346 HydrophobicContact CD2-CG2 4.17Å; F336-V346 HydrophobicContact CE2-CG2 4.12Å; F336-I351 HydrophobicContact CE2-CD1 3.87Å; F336-I351 HydrophobicContact CZ-CD1 4.34Å; F336-V370 HydrophobicContact CE1-CG1 4.48Å; F336-V370 HydrophobicContact CE1-CG2 4.42Å; F336-V370 HydrophobicContact CZ-CG1 4.14Å; F336-V370 HydrophobicContact CZ-CG2 4.13Å; F336-L373 HydrophobicContact CE2-CD2 4.35Å; F336-L373 HydrophobicContact CZ-CD2 3.9Å
337P93.1Very high93.7Very high112 Ų11249.7 Ų49.773%0.72729%0.285SS*.THydrogen-bonded Turntrans-63.5-19.1-168.124.9-34.8000114.2
338Y95.7Very high93.3Very high16 Ų1654.7 Ų54.76%0.06331%0.312CS..THydrogen-bonded Turntrans-92.14177.148.2-102.5000113.2I9 V111 K113 I114 L148 T150 F336I9-Y338 HydrophobicContact CG2-CE1 4.23Å; V111-Y338 HydrophobicContact CG1-CG 4.43Å; V111-Y338 WeakPolarHBondContact O-CB 3.31Å; K113-Y338 CarbonylContact C-O 3.55Å; K113-Y338 WeakPolarHBondContact CA-O 3.44Å; I114-Y338 HydrophobicContact CD1-CD2 3.61Å; I114-Y338 HydrophobicContact CD1-CE2 3.95Å; I114-Y338 HydrophobicContact CD1-CG 4.5Å; I114-Y338 HydrophobicContact CG1-CD2 4.36Å; I114-Y338 PolarHBondContact N-O 3Å; L148-Y338 HydrophobicContact CD2-CE2 3.76Å; T150-Y338 HydrophobicContact CG2-CE1 3.95Å; T150-Y338 WeakPolarHBondContact CG2-OH 3.04Å; T150-Y338 PolarHBondContact OG1-OH 3.25Å; F336-Y338 HydrophobicContact CB-CE2 4.43Å; F336-Y338 HydrophobicContact CD1-CE2 4.37Å; F336-Y338 PolarHBondContact O-N 3.18Å
339L96.3Very high93Very high19 Ų1955.6 Ų55.610%0.09932%0.317CS..SBendtrans-115.7148.6175.3-67.2176.5000110.9I114 L148 F336 T343 I344 M368I114-L339 HydrophobicContact CB-CD2 3.7Å; I114-L339 HydrophobicContact CD1-CD2 4.38Å; I114-L339 HydrophobicContact CG2-CD2 3.94Å; L148-L339 HydrophobicContact CD1-CD1 3.63Å; L148-L339 HydrophobicContact CD2-CD1 4.47Å; F336-L339 HydrophobicContact CB-CB 4.04Å; F336-L339 HydrophobicContact CB-CD1 3.82Å; F336-L339 HydrophobicContact CB-CG 4.13Å; F336-L339 HydrophobicContact CD1-CD1 4.27Å; F336-L339 HydrophobicContact CG-CD1 4.12Å; F336-L339 PolarHBondContact O-N 3.11Å; L339-T343 HydrophobicContact CD1-CG2 4.35Å; L339-T343 HydrophobicContact CD2-CG2 4.08Å; L339-I344 HydrophobicContact CD1-CB 4.48Å; L339-I344 HydrophobicContact CD1-CD1 3.85Å; L339-I344 HydrophobicContact CD1-CG1 4.17Å; L339-M368 HydrophobicContact CD1-SD 4.17Å; L339-M368 HydrophobicContact CD2-SD 4.09Å
340D92.1Very high92.6Very high91 Ų9156.9 Ų56.949%0.48732%0.322SS..  trans-65.5143.5164.8-164.7-73.4000110.5E342 T343D340-E342 PolarHBondContact O-N 2.92Å; D340-E342 VanDerWaalsContact O-N 3.17Å; D340-E342 WeakPolarHBondContact OD1-CB 3.38Å; D340-E342 WeakPolarHBondContact OD1-CG 3.47Å; D340-E342 PolarHBondContact OD1-N 3.41Å; D340-T343 VanDerWaalsContact O-CB 3.31Å; D340-T343 WeakPolarHBondContact O-CB 3.46Å; D340-T343 PolarHBondContact O-N 2.89Å
341S88.4Confident92.3Very high89 Ų8955.2 Ų55.262%0.62231%0.312SS*.THydrogen-bonded Turntrans-57-25.8175.863.60000114.3T343 I344 C345S341-T343 VanDerWaalsContact C-N 3.31Å; S341-I344 CarbonylContact O-C 3.49Å; S341-C345 WeakPolarHBondContact O-CA 3.33Å; S341-C345 PolarHBondContact O-N 3.39Å
342E88.9Confident92.2Very high159 Ų15958.2 Ų58.274%0.74332%0.319SS*.THydrogen-bonded Turntrans-73.7-22.7174.7-65.2-175.517800112.5D340 H361D340-E342 PolarHBondContact O-N 2.92Å; D340-E342 VanDerWaalsContact O-N 3.17Å; D340-E342 WeakPolarHBondContact OD1-CB 3.38Å; D340-E342 WeakPolarHBondContact OD1-CG 3.47Å; D340-E342 PolarHBondContact OD1-N 3.41Å; E342-H361 PolarHBondContact O-NE2 3.49Å
343T93.3Very high92.2Very high15 Ų1557.2 Ų57.29%0.09232%0.316CS..THydrogen-bonded Turntrans-78-51.3-178.8-63.20000110.8W126 L339 D340 S341 H361 M368W126-T343 HydrophobicContact CH2-CG2 4.11Å; W126-T343 HydrophobicContact CZ3-CG2 4.29Å; L339-T343 HydrophobicContact CD1-CG2 4.35Å; L339-T343 HydrophobicContact CD2-CG2 4.08Å; D340-T343 VanDerWaalsContact O-CB 3.31Å; D340-T343 WeakPolarHBondContact O-CB 3.46Å; D340-T343 PolarHBondContact O-N 2.89Å; S341-T343 VanDerWaalsContact C-N 3.31Å; T343-H361 PolarHBondContact O-CE1 3.05Å; T343-H361 PolarHBondContact O-NE2 2.85Å; T343-M368 HydrophobicContact CG2-CE 3.41Å; T343-M368 VanDerWaalsContact CG2-CE 3.41Å; T343-M368 HydrophobicContact CG2-SD 3.91Å
344I93.1Very high92.4Very high11 Ų1154.6 Ų54.66%0.05630%0.302CS..SBendtrans-134107.7170.6-63.8-178.2000108.6L148 F336 L339 S341 V346 I351 M368 V370L148-I344 HydrophobicContact CD1-CD1 3.45Å; L148-I344 VanDerWaalsContact CD1-CD1 3.45Å; F336-I344 HydrophobicContact CD2-CB 4.3Å; F336-I344 HydrophobicContact CD2-CG2 3.88Å; F336-I344 HydrophobicContact CE2-CD1 4.49Å; F336-I344 HydrophobicContact CE2-CG2 3.69Å; F336-I344 HydrophobicContact CZ-CD1 4.48Å; L339-I344 HydrophobicContact CD1-CB 4.48Å; L339-I344 HydrophobicContact CD1-CD1 3.85Å; L339-I344 HydrophobicContact CD1-CG1 4.17Å; S341-I344 CarbonylContact O-C 3.49Å; I344-V346 HydrophobicContact CG2-CG2 4.32Å; I344-I351 HydrophobicContact CG2-CD1 3.65Å; I344-I351 HydrophobicContact CG2-CG1 4.06Å; I344-M368 HydrophobicContact CD1-CE 3.83Å; I344-M368 HydrophobicContact CG1-CE 3.87Å; I344-V370 HydrophobicContact CD1-CG2 3.68Å
345C90Very high92.5Very high85 Ų8554.4 Ų54.457%0.57430%0.301SS*.  trans-83.5125.9177.9-172.20000110.8S341S341-C345 WeakPolarHBondContact O-CA 3.33Å; S341-C345 PolarHBondContact O-N 3.39Å
346V91.6Very high92.6Very high44 Ų4452.6 Ų52.627%0.26729%0.289SS..EExtended strand (participates in β ladder)trans-120125.8172.7-174.10000109I334 F336 I344 N350 I351I334-V346 HydrophobicContact CB-CG1 3.96Å; I334-V346 HydrophobicContact CG2-CG1 4.15Å; I334-V346 HydrophobicContact CG2-CG2 4.05Å; I334-V346 WeakPolarHBondContact O-CG1 3.4Å; F336-V346 HydrophobicContact CD2-CG2 4.17Å; F336-V346 HydrophobicContact CE2-CG2 4.12Å; I344-V346 HydrophobicContact CG2-CG2 4.32Å; V346-N350 WeakPolarHBondContact CA-O 3.32Å; V346-I351 HydrophobicContact CG2-CD1 4.11Å; V346-I351 HydrophobicContact CG2-CG1 4.14Å
347N90Very high92.8Very high121 Ų12151.6 Ų51.665%0.64728%0.284SS*.EExtended strand (participates in β ladder)trans-125.6112.3174.8-179-3.5000110N349 N350N347-N349 VanDerWaalsContact C-N 3.27Å; N347-N349 PolarHBondContact O-N 3.42Å; N347-N350 PolarHBondContact N-O 3Å; N347-N350 WeakPolarHBondContact O-CA 3.49Å; N347-N350 WeakPolarHBondContact O-CB 3.48Å; N347-N350 PolarHBondContact O-N 3.14Å
348N88.9Confident93Very high105 Ų10546.3 Ų46.356%0.56125%0.25SC*.THydrogen-bonded Turntrans50.348-179.8-168.320.9000112.3N350 P426N348-N350 PolarHBondContact O-N 3.28Å; N348-P426 VanDerWaalsContact OD1-CG 3.26Å; N348-P426 WeakPolarHBondContact OD1-CG 3.41Å
349N92.1Very high93.1Very high20 Ų2045.6 Ų45.611%0.10725%0.248CC..THydrogen-bonded Turntrans60.22.6-172.2-64.3-12.1000116.1Y332 E333 I334 N347 P426 T429Y332-N349 PolarHBondContact O-ND2 2.83Å; E333-N349 WeakPolarHBondContact CA-OD1 3.39Å; I334-N349 HydrophobicContact CD1-CB 3.85Å; I334-N349 HydrophobicContact CG1-CB 4.13Å; I334-N349 PolarHBondContact N-OD1 2.9Å; N347-N349 VanDerWaalsContact C-N 3.27Å; N347-N349 PolarHBondContact O-N 3.42Å; N349-P426 PolarHBondContact ND2-O 3.01Å; N349-T429 HydrophobicContact CB-CG2 4.22Å; N349-T429 WeakPolarHBondContact O-CB 3.44Å; N349-T429 PolarHBondContact O-OG1 3.37Å
350N90.2Very high93.1Very high40 Ų4045.3 Ų45.321%0.21425%0.247CC..EExtended strand (participates in β ladder)trans-76.6128167.5-167.1-85.1000108.7V346 N347 N348 Q415V346-N350 WeakPolarHBondContact CA-O 3.32Å; N347-N350 PolarHBondContact N-O 3Å; N347-N350 WeakPolarHBondContact O-CA 3.49Å; N347-N350 WeakPolarHBondContact O-CB 3.48Å; N347-N350 PolarHBondContact O-N 3.14Å; N348-N350 PolarHBondContact O-N 3.28Å; N350-Q415 PolarHBondContact ND2-NE2 2.79Å; N350-Q415 PolarHBondContact OD1-NE2 3.27Å
351I90Very high93.2Very high5 Ų544.5 Ų44.53%0.02624%0.24CC..EExtended strand (participates in β ladder)trans-130.7137.4-179.9-160.1179.1000108.6F336 I344 V346 L353 L373 Q415 V430F336-I351 HydrophobicContact CE2-CD1 3.87Å; F336-I351 HydrophobicContact CZ-CD1 4.34Å; I344-I351 HydrophobicContact CG2-CD1 3.65Å; I344-I351 HydrophobicContact CG2-CG1 4.06Å; V346-I351 HydrophobicContact CG2-CD1 4.11Å; V346-I351 HydrophobicContact CG2-CG1 4.14Å; I351-L353 HydrophobicContact CD1-CD1 3.46Å; I351-L353 VanDerWaalsContact CD1-CD1 3.46Å; I351-L353 HydrophobicContact CD1-CG 3.88Å; I351-L353 HydrophobicContact CG1-CD1 4.05Å; I351-L353 HydrophobicContact CG1-CG 3.9Å; I351-L353 HydrophobicContact CG2-CD1 4.49Å; I351-L373 HydrophobicContact CD1-CD2 3.63Å; I351-L373 HydrophobicContact CG2-CD2 4.46Å; I351-Q415 PolarHBondContact O-NE2 2.82Å; I351-V430 HydrophobicContact CG2-CG1 3.87Å
352Q90.4Very high93.5Very high90 Ų9040.7 Ų40.742%0.42121%0.212SC..  trans-102.682.8-176.9-70.9-100.1-20.900108.8
353L96Very high93.8Very high10 Ų1036.1 Ų36.15%0.05220%0.197CC..  trans-126.8129.2178.7-62.9176.9000110.7I351 N355 Y356 Y358 A359 V370 C411I351-L353 HydrophobicContact CD1-CD1 3.46Å; I351-L353 VanDerWaalsContact CD1-CD1 3.46Å; I351-L353 HydrophobicContact CD1-CG 3.88Å; I351-L353 HydrophobicContact CG1-CD1 4.05Å; I351-L353 HydrophobicContact CG1-CG 3.9Å; I351-L353 HydrophobicContact CG2-CD1 4.49Å; L353-N355 PolarHBondContact O-N 3.15Å; L353-Y356 PolarHBondContact O-N 3.49Å; L353-Y358 CarbonylContact C-O 3.58Å; L353-Y358 VanDerWaalsContact CA-O 3.31Å; L353-Y358 WeakPolarHBondContact CA-O 3.24Å; L353-A359 HydrophobicContact CD2-CB 3.81Å; L353-V370 HydrophobicContact CD1-CB 3.83Å; L353-V370 HydrophobicContact CD1-CG1 4.33Å; L353-V370 HydrophobicContact CD1-CG2 3.64Å; L353-C411 PolarHBondContact O-SG 3.23Å
354Y97.1Very high94Very high31 Ų3137.4 Ų37.412%0.12220%0.202CC..BIsolated β-bridgetrans-63.8129.1173.1172.7-114.5000109.5Y356 M357 Y358 L401 P402 M407 D410 C411Y354-Y356 PolarHBondContact O-N 3.44Å; Y354-Y356 VanDerWaalsContact O-N 3.08Å; Y354-M357 PolarHBondContact O-N 3.28Å; Y354-Y358 HydrophobicContact CD1-CD2 4.18Å; Y354-Y358 PolarHBondContact N-O 2.98Å; Y354-Y358 PolarHBondContact O-N 3.21Å; Y354-Y358 VanDerWaalsContact O-N 3.09Å; Y354-L401 HydrophobicContact CD1-CD2 4.09Å; Y354-L401 HydrophobicContact CE1-CD2 4.02Å; Y354-P402 HydrophobicContact CE1-CG 4.04Å; Y354-M407 HydrophobicContact CD1-CG 3.79Å; Y354-M407 HydrophobicContact CD1-SD 3.77Å; Y354-M407 HydrophobicContact CD2-CB 4.2Å; Y354-M407 HydrophobicContact CD2-CG 4.01Å; Y354-M407 HydrophobicContact CE1-CG 4.32Å; Y354-M407 HydrophobicContact CG-CB 4Å; Y354-M407 HydrophobicContact CG-CG 3.6Å; Y354-M407 HydrophobicContact CG-SD 3.97Å; Y354-D410 HydrophobicContact CD2-CB 3.97Å; Y354-D410 WeakPolarHBondContact CD2-OD2 3.27Å; Y354-D410 HydrophobicContact CE2-CB 3.98Å; Y354-D410 WeakPolarHBondContact CE2-OD2 3.15Å; Y354-C411 VanDerWaalsContact CA-SG 3.52Å; Y354-C411 PolarHBondContact N-SG 2.91Å
355N96.5Very high94.2Very high6 Ų637.4 Ų37.43%0.03220%0.202CC..THydrogen-bonded Turntrans47.132.3-169.4-64.3-31.8000113.2L353 M357 Y437 Q440 L441L353-N355 PolarHBondContact O-N 3.15Å; N355-M357 WeakPolarHBondContact O-CG 3.4Å; N355-M357 PolarHBondContact O-N 3.43Å; N355-Y437 PolarHBondContact O-OH 2.95Å; N355-Q440 PolarHBondContact OD1-NE2 3.01Å; N355-L441 HydrophobicContact CB-CD2 4.06Å
356Y96.8Very high94.6Very high14 Ų1435.9 Ų35.96%0.05519%0.187CC..THydrogen-bonded Turntrans54.123.4-174.2-59.2-72.1000115.5L353 Y354 V374 T414 I418 V430 V432 Y437L353-Y356 PolarHBondContact O-N 3.49Å; Y354-Y356 PolarHBondContact O-N 3.44Å; Y354-Y356 VanDerWaalsContact O-N 3.08Å; Y356-V374 HydrophobicContact CD1-CG1 4.35Å; Y356-V374 HydrophobicContact CD2-CG1 3.7Å; Y356-V374 HydrophobicContact CG-CG1 3.55Å; Y356-T414 HydrophobicContact CE2-CG2 4.06Å; Y356-T414 VanDerWaalsContact OH-CG2 3.31Å; Y356-T414 WeakPolarHBondContact OH-CG2 3.46Å; Y356-I418 WeakPolarHBondContact OH-CD1 3.45Å; Y356-V430 HydrophobicContact CD1-CB 4.43Å; Y356-V430 HydrophobicContact CD1-CG1 4.22Å; Y356-V430 HydrophobicContact CE1-CB 4.29Å; Y356-V430 HydrophobicContact CE1-CG1 4.18Å; Y356-V432 HydrophobicContact CD2-CG1 3.74Å; Y356-V432 HydrophobicContact CE2-CG1 3.51Å; Y356-Y437 HydrophobicContact CD2-CE2 4.17Å
357M98Very high94.9Very high0 Ų034.1 Ų34.10%018%0.176CC..THydrogen-bonded Turntrans-126.5-42-176-70.6175.271.500113Y354 N355 P369 V370 I371 Q387 V390 A391 L441Y354-M357 PolarHBondContact O-N 3.28Å; N355-M357 WeakPolarHBondContact O-CG 3.4Å; N355-M357 PolarHBondContact O-N 3.43Å; M357-P369 HydrophobicContact CE-CB 4.24Å; M357-P369 CarbonylContact O-C 3.48Å; M357-P369 WeakPolarHBondContact O-CA 3.38Å; M357-V370 WeakPolarHBondContact CG-O 3.15Å; M357-V370 PolarHBondContact O-N 3.13Å; M357-I371 HydrophobicContact CE-CD1 3.96Å; M357-Q387 HydrophobicContact CE-CB 3.74Å; M357-Q387 HydrophobicContact CE-CG 4.27Å; M357-Q387 WeakPolarHBondContact CE-O 3.32Å; M357-Q387 HydrophobicContact CG-CB 4.37Å; M357-Q387 HydrophobicContact CG-CG 4.02Å; M357-Q387 VanDerWaalsContact CG-NE2 3.26Å; M357-Q387 HydrophobicContact SD-CB 3.75Å; M357-Q387 HydrophobicContact SD-CG 3.58Å; M357-Q387 VanDerWaalsContact SD-CG 3.58Å; M357-V390 HydrophobicContact CE-CB 4.41Å; M357-V390 HydrophobicContact CE-CG1 4.43Å; M357-A391 HydrophobicContact CE-CB 4.04Å; M357-L441 HydrophobicContact SD-CD2 4.12Å
358Y98.2Very high95.3Very high1 Ų128.4 Ų28.40%0.00415%0.146CC..BIsolated β-bridgetrans-119.7128.7-163.5-58-71.6000112.8L353 Y354 S360 P365 P369 A391 L394 L401L353-Y358 CarbonylContact C-O 3.58Å; L353-Y358 VanDerWaalsContact CA-O 3.31Å; L353-Y358 WeakPolarHBondContact CA-O 3.24Å; Y354-Y358 HydrophobicContact CD1-CD2 4.18Å; Y354-Y358 PolarHBondContact N-O 2.98Å; Y354-Y358 PolarHBondContact O-N 3.21Å; Y354-Y358 VanDerWaalsContact O-N 3.09Å; Y358-S360 PolarHBondContact O-N 3Å; Y358-P365 WeakPolarHBondContact CD1-O 3.33Å; Y358-P369 HydrophobicContact CD1-CB 4.35Å; Y358-P369 HydrophobicContact CE1-CB 3.69Å; Y358-A391 VanDerWaalsContact OH-CA 3.24Å; Y358-A391 WeakPolarHBondContact OH-CA 3.29Å; Y358-L394 HydrophobicContact CE2-CD1 3.92Å; Y358-L394 WeakPolarHBondContact OH-CD1 3.41Å; Y358-L401 HydrophobicContact CD1-CD1 4.08Å; Y358-L401 HydrophobicContact CD2-CD1 4.43Å; Y358-L401 HydrophobicContact CD2-CD2 3.7Å; Y358-L401 HydrophobicContact CE2-CD2 3.89Å; Y358-L401 HydrophobicContact CG-CD1 4.01Å; Y358-L401 HydrophobicContact CG-CD2 4.12Å
359A96.9Very high95.7Very high2 Ų223.4 Ų23.42%0.01712%0.119CC..  trans-82.9106.6174.200000110L353 H361 L362 P365L353-A359 HydrophobicContact CD2-CB 3.81Å; A359-H361 PolarHBondContact O-N 3.35Å; A359-H361 VanDerWaalsContact O-N 3.16Å; A359-L362 HydrophobicContact CB-CD1 3.84Å; A359-L362 HydrophobicContact CB-CG 4.08Å; A359-L362 PolarHBondContact O-N 2.96Å; A359-P365 WeakPolarHBondContact O-CB 3.48Å
360S96.2Very high96.1Very high12 Ų1222.6 Ų22.68%0.08411%0.114CC..THydrogen-bonded Turntrans-66.8-17.2-168.856.50000115.1Y358 R404 E408Y358-S360 PolarHBondContact O-N 3Å; S360-R404 WeakPolarHBondContact O-CD 3.25Å; S360-R404 WeakPolarHBondContact O-CG 3.46Å; S360-E408 WeakPolarHBondContact OG-CG 3.37Å
361H94.6Very high96.5Very high75 Ų7520.7 Ų20.735%0.34710%0.104SC..THydrogen-bonded Turntrans-85.3-10.5179.965.9-77.4000113.6E342 T343 A359E342-H361 PolarHBondContact O-NE2 3.49Å; T343-H361 PolarHBondContact O-CE1 3.05Å; T343-H361 PolarHBondContact O-NE2 2.85Å; A359-H361 PolarHBondContact O-N 3.35Å; A359-H361 VanDerWaalsContact O-N 3.16Å
362L95.8Very high96.8Very high8 Ų820.8 Ų20.84%0.04211%0.107CC..SBendtrans-72.5146.7174.5-64.3175.2000110.7W126 A359 H364 P365 M368W126-L362 HydrophobicContact CH2-CD1 4.34Å; W126-L362 HydrophobicContact CH2-CD2 4.41Å; W126-L362 HydrophobicContact CZ2-CD1 4.37Å; A359-L362 HydrophobicContact CB-CD1 3.84Å; A359-L362 HydrophobicContact CB-CG 4.08Å; A359-L362 PolarHBondContact O-N 2.96Å; L362-H364 VanDerWaalsContact C-N 3.31Å; L362-H364 PolarHBondContact O-N 3.38Å; L362-P365 HydrophobicContact CB-CG 4.29Å; L362-P365 VanDerWaalsContact O-CD 3.29Å; L362-P365 WeakPolarHBondContact O-CD 3.21Å; L362-P365 VanDerWaalsContact O-CG 3.27Å; L362-P365 WeakPolarHBondContact O-CG 3.38Å; L362-M368 HydrophobicContact CD1-CE 3.44Å; L362-M368 VanDerWaalsContact CD1-CE 3.44Å
363P95Very high97.1Very high64 Ų6416.7 Ų16.742%0.4169%0.088SC..SBendtrans-62.6-36.4174.9-24.435.1000113.4D121D121-P363 WeakPolarHBondContact OD1-CG 3.47Å
364H96.6Very high97.1Very high42 Ų4216.4 Ų16.419%0.1949%0.086CC..SBendtrans-126.371.4178.1-58.8-86.2000110.7H120 D121 G124 L362 E366 T367H120-H364 PolarHBondContact O-CD2 2.98Å; H120-H364 PolarHBondContact O-NE2 2.95Å; D121-H364 PolarHBondContact O-NE2 3.24Å; G124-H364 VanDerWaalsContact CA-CD2 3.43Å; G124-H364 WeakPolarHBondContact CA-CD2 3.44Å; G124-H364 PolarHBondContact N-CD2 3.22Å; L362-H364 VanDerWaalsContact C-N 3.31Å; L362-H364 PolarHBondContact O-N 3.38Å; H364-E366 IonicContact ND1-OE1 2.78Å; H364-E366 PolarHBondContact O-N 3.27Å; H364-T367 HydrophobicContact CB-CG2 3.99Å; H364-T367 PolarHBondContact O-N 2.99Å; H364-T367 PolarHBondContact O-OG1 3.29Å
365P97.5Very high96.9Very high10 Ų1016.3 Ų16.37%0.0659%0.087CC..G310 helixtrans-59.6-32.9-174.7-22.933.8000113.6Y358 A359 L362 T367 M368 L401 M407Y358-P365 WeakPolarHBondContact CD1-O 3.33Å; A359-P365 WeakPolarHBondContact O-CB 3.48Å; L362-P365 HydrophobicContact CB-CG 4.29Å; L362-P365 VanDerWaalsContact O-CD 3.29Å; L362-P365 WeakPolarHBondContact O-CD 3.21Å; L362-P365 VanDerWaalsContact O-CG 3.27Å; L362-P365 WeakPolarHBondContact O-CG 3.38Å; P365-T367 PolarHBondContact O-N 2.75Å; P365-M368 PolarHBondContact O-N 3.23Å; P365-M368 VanDerWaalsContact O-N 3.14Å; P365-L401 HydrophobicContact CB-CD1 3.8Å; P365-L401 HydrophobicContact CG-CD1 4.45Å; P365-M407 HydrophobicContact CG-CE 4.36Å
366E97.8Very high96.9Very high53 Ų5316.5 Ų16.525%0.2489%0.088CC..G310 helixtrans-62.5-20.3-17971-70.716700113.9H364 M368 L394 L401H364-E366 IonicContact ND1-OE1 2.78Å; H364-E366 PolarHBondContact O-N 3.27Å; E366-M368 VanDerWaalsContact C-N 3.34Å; E366-L394 HydrophobicContact CB-CB 4.4Å; E366-L401 HydrophobicContact CB-CD1 3.93Å
367T98.3Very high96.7Very high7 Ų716.2 Ų16.24%0.0439%0.087CC..G310 helixtrans-83.9-6.9178.471.40000113.3G124 W126 Q144 A145 V146 H364 P365 L395G124-T367 PolarHBondContact O-OG1 2.95Å; W126-T367 PolarHBondContact NE1-OG1 2.81Å; Q144-T367 WeakPolarHBondContact O-CB 3.22Å; Q144-T367 WeakPolarHBondContact O-CG2 3.38Å; A145-T367 CarbonylContact C-O 3.57Å; A145-T367 WeakPolarHBondContact CA-O 3.41Å; A145-T367 WeakPolarHBondContact CB-O 3.25Å; V146-T367 PolarHBondContact N-O 3.26Å; H364-T367 HydrophobicContact CB-CG2 3.99Å; H364-T367 PolarHBondContact O-N 2.99Å; H364-T367 PolarHBondContact O-OG1 3.29Å; P365-T367 PolarHBondContact O-N 2.75Å; T367-L395 HydrophobicContact CG2-CD1 4.24Å
368M98.3Very high96.5Very high2 Ų216.9 Ų16.91%0.019%0.094CC..SBendtrans-136.767.2176.5-163.4-173.456.800114.2W126 V146 L148 L339 T343 I344 L362 P365 E366W126-M368 HydrophobicContact CH2-CE 4.13Å; W126-M368 HydrophobicContact CH2-SD 3.91Å; W126-M368 HydrophobicContact CZ2-CB 3.83Å; W126-M368 HydrophobicContact CZ2-CE 4.33Å; W126-M368 HydrophobicContact CZ2-CG 4.41Å; W126-M368 HydrophobicContact CZ2-SD 4.03Å; W126-M368 HydrophobicContact CZ3-SD 4.3Å; V146-M368 HydrophobicContact CB-CG 4.39Å; V146-M368 VanDerWaalsContact O-CA 3.28Å; V146-M368 WeakPolarHBondContact O-CA 3.27Å; L148-M368 HydrophobicContact CD1-CG 3.95Å; L148-M368 HydrophobicContact CD1-SD 3.98Å; L148-M368 HydrophobicContact CG-CG 4.13Å; L339-M368 HydrophobicContact CD1-SD 4.17Å; L339-M368 HydrophobicContact CD2-SD 4.09Å; T343-M368 HydrophobicContact CG2-CE 3.41Å; T343-M368 VanDerWaalsContact CG2-CE 3.41Å; T343-M368 HydrophobicContact CG2-SD 3.91Å; I344-M368 HydrophobicContact CD1-CE 3.83Å; I344-M368 HydrophobicContact CG1-CE 3.87Å; L362-M368 HydrophobicContact CD1-CE 3.44Å; L362-M368 VanDerWaalsContact CD1-CE 3.44Å; P365-M368 PolarHBondContact O-N 3.23Å; P365-M368 VanDerWaalsContact O-N 3.14Å; E366-M368 VanDerWaalsContact C-N 3.34Å
369P98.6Very high96.5Very high0 Ų016.9 Ų16.90%09%0.094CC..  trans-72.6138.3176.430.8-35.8000112.5F147 L148 M357 Y358 I371 A391F147-P369 HydrophobicContact CB-CG 4.4Å; F147-P369 HydrophobicContact CD1-CG 3.34Å; F147-P369 HydrophobicContact CD2-CG 4.14Å; F147-P369 HydrophobicContact CE1-CG 3.5Å; F147-P369 HydrophobicContact CE2-CG 4.28Å; F147-P369 HydrophobicContact CG-CG 3.7Å; F147-P369 HydrophobicContact CZ-CG 3.99Å; L148-P369 PolarHBondContact N-O 3.4Å; M357-P369 HydrophobicContact CE-CB 4.24Å; M357-P369 CarbonylContact O-C 3.48Å; M357-P369 WeakPolarHBondContact O-CA 3.38Å; Y358-P369 HydrophobicContact CD1-CB 4.35Å; Y358-P369 HydrophobicContact CE1-CB 3.69Å; P369-I371 HydrophobicContact CB-CD1 3.93Å; P369-I371 HydrophobicContact CG-CD1 4.33Å; P369-A391 HydrophobicContact CB-CB 4.02Å; P369-A391 HydrophobicContact CG-CB 3.84Å
370V98.5Very high96.5Very high2 Ų219 Ų191%0.01211%0.105CC..BIsolated β-bridgetrans-86126.4163.5-178.30000110.1L148 F336 I344 L353 M357 L373L148-V370 HydrophobicContact CB-CG2 4.31Å; L148-V370 HydrophobicContact CD1-CG2 3.9Å; F336-V370 HydrophobicContact CE1-CG1 4.48Å; F336-V370 HydrophobicContact CE1-CG2 4.42Å; F336-V370 HydrophobicContact CZ-CG1 4.14Å; F336-V370 HydrophobicContact CZ-CG2 4.13Å; I344-V370 HydrophobicContact CD1-CG2 3.68Å; L353-V370 HydrophobicContact CD1-CB 3.83Å; L353-V370 HydrophobicContact CD1-CG1 4.33Å; L353-V370 HydrophobicContact CD1-CG2 3.64Å; M357-V370 WeakPolarHBondContact CG-O 3.15Å; M357-V370 PolarHBondContact O-N 3.13Å; V370-L373 HydrophobicContact CG1-CB 3.45Å; V370-L373 VanDerWaalsContact CG1-CB 3.45Å; V370-L373 HydrophobicContact CG1-CD2 3.88Å; V370-L373 HydrophobicContact CG1-CG 4.31Å
371I98.6Very high96.6Very high1 Ų118.7 Ų18.71%0.00510%0.102CC..  trans-118.1126.7-175.2-51.6-61.8000110.6S14 F147 L148 M357 P369 L373 Q387 C388 A391S14-I371 PolarHBondContact OG-O 3.16Å; F147-I371 HydrophobicContact CD2-CG1 4.38Å; L148-I371 PolarHBondContact O-N 3.19Å; M357-I371 HydrophobicContact CE-CD1 3.96Å; P369-I371 HydrophobicContact CB-CD1 3.93Å; P369-I371 HydrophobicContact CG-CD1 4.33Å; I371-L373 VanDerWaalsContact C-N 3.34Å; I371-Q387 HydrophobicContact CD1-CB 3.82Å; I371-Q387 HydrophobicContact CG2-CB 4.31Å; I371-C388 VanDerWaalsContact CG2-SG 3.57Å; I371-A391 HydrophobicContact CD1-CB 4.45Å
372G97.5Very high96.8Very high7 Ų715.1 Ų15.17%0.0729%0.086CC..SBendtrans77.614.9175.400000114.8V374 S384G372-V374 VanDerWaalsContact C-N 3.27Å; G372-V374 PolarHBondContact O-N 3.42Å; G372-S384 VanDerWaalsContact CA-OG 3.28Å; G372-S384 WeakPolarHBondContact CA-OG 3.41Å
373L96.2Very high96.9Very high4 Ų414.8 Ų14.82%0.0218%0.084CC..  trans-89.957.7171.9-169.964.9000111.5H152 I334 F336 I351 V370 I371H152-L373 HydrophobicContact CB-CD1 3.6Å; I334-L373 HydrophobicContact CD1-CD1 4.06Å; I334-L373 HydrophobicContact CG1-CD1 4.17Å; I334-L373 HydrophobicContact CG2-CD1 4.05Å; I334-L373 HydrophobicContact CG2-CD2 3.78Å; F336-L373 HydrophobicContact CE2-CD2 4.35Å; F336-L373 HydrophobicContact CZ-CD2 3.9Å; I351-L373 HydrophobicContact CD1-CD2 3.63Å; I351-L373 HydrophobicContact CG2-CD2 4.46Å; V370-L373 HydrophobicContact CG1-CB 3.45Å; V370-L373 VanDerWaalsContact CG1-CB 3.45Å; V370-L373 HydrophobicContact CG1-CD2 3.88Å; V370-L373 HydrophobicContact CG1-CG 4.31Å; I371-L373 VanDerWaalsContact C-N 3.34Å
374V95.6Very high97.1Very high4 Ų411.8 Ų11.82%0.0246%0.064CC..  trans-139.9154.1171.3-62.60000110.4Y356 G372 P376 I380 I383 V430 V432 Y437Y356-V374 HydrophobicContact CD1-CG1 4.35Å; Y356-V374 HydrophobicContact CD2-CG1 3.7Å; Y356-V374 HydrophobicContact CG-CG1 3.55Å; G372-V374 VanDerWaalsContact C-N 3.27Å; G372-V374 PolarHBondContact O-N 3.42Å; V374-P376 VanDerWaalsContact O-CD 3.29Å; V374-P376 WeakPolarHBondContact O-CD 3.33Å; V374-I380 HydrophobicContact CG2-CD1 3.39Å; V374-I383 HydrophobicContact CG2-CG2 3.73Å; V374-V430 WeakPolarHBondContact CA-O 3.43Å; V374-V432 HydrophobicContact CB-CG1 4.23Å; V374-V432 HydrophobicContact CB-CG2 3.98Å; V374-V432 HydrophobicContact CG1-CG1 4.12Å; V374-V432 HydrophobicContact CG2-CG2 3.93Å; V374-Y437 HydrophobicContact CG1-CE1 4.34Å; V374-Y437 HydrophobicContact CG2-CE1 4.21Å
375Q94.4Very high97.2Very high29 Ų299.9 Ų9.914%0.1366%0.055CC..EExtended strand (participates in β ladder)trans-111.192.3175.2-178.8161.210300109H282 R427 V430 Q431 V432H282-Q375 WeakPolarHBondContact CE1-CG 3.39Å; H282-Q375 VanDerWaalsContact CG-OE1 3.25Å; H282-Q375 VanDerWaalsContact ND1-CG 3.29Å; H282-Q375 WeakPolarHBondContact ND1-CG 3.5Å; Q375-R427 PolarHBondContact OE1-O 3.35Å; Q375-V430 HydrophobicContact CB-CG2 4.29Å; Q375-V430 PolarHBondContact N-O 2.92Å; Q375-Q431 WeakPolarHBondContact O-CA 3.36Å; Q375-Q431 PolarHBondContact O-OE1 2.9Å; Q375-V432 PolarHBondContact O-N 2.96Å
376P95Very high97.2Very high9 Ų99.5 Ų9.56%0.0585%0.053CC..EExtended strand (participates in β ladder)trans-81.5147.4-174.529.6-33.5000113.5H282 V374 G378 I380 I383 V432H282-P376 PolarHBondContact CE1-O 3.23Å; V374-P376 VanDerWaalsContact O-CD 3.29Å; V374-P376 WeakPolarHBondContact O-CD 3.33Å; P376-G378 PolarHBondContact O-N 3.2Å; P376-I380 HydrophobicContact CG-CB 4.07Å; P376-I380 HydrophobicContact CG-CD1 4.39Å; P376-I383 HydrophobicContact CB-CD1 3.4Å; P376-I383 HydrophobicContact CG-CD1 3.8Å; P376-V432 CarbonylContact C-O 3.51Å; P376-V432 WeakPolarHBondContact CA-O 3.5Å; P376-V432 HydrophobicContact CB-CG2 3.76Å
377W92.7Very high97.3Very high9 Ų97 Ų73%0.0344%0.041CC..EExtended strand (participates in β ladder)trans-71.879.2153.1-157.290.9000108.5Y233 L237 L238 F279 P283 V432 Y434Y233-W377 HydrophobicContact CE2-CH2 4.47Å; Y233-W377 HydrophobicContact CE2-CZ2 4.39Å; L237-W377 HydrophobicContact CB-CH2 3.47Å; L237-W377 VanDerWaalsContact CB-CH2 3.47Å; L237-W377 HydrophobicContact CB-CZ3 3.95Å; L237-W377 HydrophobicContact CD1-CH2 3.72Å; L237-W377 HydrophobicContact CD1-CZ2 4.16Å; L237-W377 HydrophobicContact CG-CH2 4.24Å; L238-W377 HydrophobicContact CD2-CE3 3.35Å; L238-W377 HydrophobicContact CD2-CZ3 3.39Å; L238-W377 HydrophobicContact CG-CE3 4Å; L238-W377 HydrophobicContact CG-CZ3 3.64Å; F279-W377 AromaticContact CE1-CZ2 3.94Å; F279-W377 HydrophobicContact CE1-CZ2 3.94Å; P283-W377 VanDerWaalsContact CD-CD1 3.48Å; P283-W377 HydrophobicContact CG-CG 4.26Å; W377-V432 PolarHBondContact N-O 3.34Å; W377-Y434 VanDerWaalsContact O-CB 3.23Å; W377-Y434 WeakPolarHBondContact O-CB 3.43Å
378G94.8Very high97.3Very high14 Ų146.7 Ų6.714%0.1444%0.039CC..SBendtrans145.9-160.1-171.800000112.3P376P376-G378 PolarHBondContact O-N 3.2Å
379S96.8Very high97.3Very high1 Ų16.6 Ų6.61%0.0074%0.039CC..  trans-90138-179.6-170.80000111.8T63 M67 T68 Y434T63-S379 PolarHBondContact OG1-OG 3.12Å; M67-S379 VanDerWaalsContact O-CB 3.28Å; M67-S379 WeakPolarHBondContact O-CB 3.35Å; T68-S379 WeakPolarHBondContact CA-OG 3.37Å; T68-S379 PolarHBondContact OG1-OG 2.99Å; S379-Y434 WeakPolarHBondContact O-CD2 3.42Å; S379-Y434 WeakPolarHBondContact O-CE2 3.46Å
380I97.3Very high97.4Very high46 Ų466.6 Ų6.624%0.2364%0.039CC..SBendtrans-78.8-30.4177.4-175.154.4000112.8V374 P376 I383 S384V374-I380 HydrophobicContact CG2-CD1 3.39Å; P376-I380 HydrophobicContact CG-CB 4.07Å; P376-I380 HydrophobicContact CG-CD1 4.39Å; I380-I383 HydrophobicContact CD1-CB 4.17Å; I380-I383 HydrophobicContact CD1-CG2 4.1Å; I380-I383 WeakPolarHBondContact O-CA 3.22Å; I380-I383 WeakPolarHBondContact O-CB 3.3Å; I380-I383 PolarHBondContact O-N 3.35Å; I380-S384 PolarHBondContact O-N 3.48Å; I380-S384 PolarHBondContact O-OG 3.24Å
381M98Very high97.4Very high5 Ų56.5 Ų6.53%0.0254%0.038CC..Hα-helixtrans-58.9-45.7-173.4-6571168.100113.3P13 W42 I61 T68 F70 L88 I383 S384 E385P13-M381 HydrophobicContact CB-CG 4.01Å; P13-M381 HydrophobicContact CG-CG 4.47Å; W42-M381 HydrophobicContact CZ2-CE 3.78Å; W42-M381 VanDerWaalsContact NE1-CE 3.25Å; I61-M381 HydrophobicContact CD1-CE 3.7Å; I61-M381 HydrophobicContact CD1-SD 4.34Å; T68-M381 HydrophobicContact CG2-CB 4.32Å; T68-M381 HydrophobicContact CG2-CE 4.34Å; T68-M381 HydrophobicContact CG2-CG 4.08Å; T68-M381 HydrophobicContact CG2-SD 3.94Å; T68-M381 WeakPolarHBondContact O-CB 3.42Å; F70-M381 HydrophobicContact CE1-CB 4.07Å; L88-M381 HydrophobicContact CD2-CE 4.23Å; M381-I383 VanDerWaalsContact C-N 3.3Å; M381-I383 PolarHBondContact O-N 2.82Å; M381-S384 PolarHBondContact O-N 2.84Å; M381-E385 PolarHBondContact O-N 3.25Å; M381-E385 VanDerWaalsContact O-N 3.15Å
382P98.6Very high97.4Very high1 Ų16.4 Ų6.41%0.0064%0.038CC..Hα-helixtrans-69.6-29.3175.8-16.630.9000113.3M67 E385 M386 Y434 M438 P472M67-P382 WeakPolarHBondContact O-CG 3.29Å; P382-E385 PolarHBondContact O-N 3.15Å; P382-M386 WeakPolarHBondContact O-CB 3.39Å; P382-M386 PolarHBondContact O-N 3Å; P382-Y434 HydrophobicContact CB-CE2 4.15Å; P382-Y434 WeakPolarHBondContact CB-OH 3.44Å; P382-Y434 HydrophobicContact CG-CE2 4.12Å; P382-M438 HydrophobicContact CB-CE 4.21Å; P382-P472 HydrophobicContact CB-CB 3.87Å; P382-P472 HydrophobicContact CB-CG 3.5Å; P382-P472 VanDerWaalsContact CB-CG 3.5Å; P382-P472 HydrophobicContact CG-CB 4.2Å; P382-P472 HydrophobicContact CG-CG 3.32Å
383I98.7Very high97.4Very high0 Ų07 Ų70%04%0.038CC..Hα-helixtrans-67.4-48.5176.4-74.3167.2000109.6V374 P376 I380 M381 E385 M386 Q387 V432 Y434 Y437 M438V374-I383 HydrophobicContact CG2-CG2 3.73Å; P376-I383 HydrophobicContact CB-CD1 3.4Å; P376-I383 HydrophobicContact CG-CD1 3.8Å; I380-I383 HydrophobicContact CD1-CB 4.17Å; I380-I383 HydrophobicContact CD1-CG2 4.1Å; I380-I383 WeakPolarHBondContact O-CA 3.22Å; I380-I383 WeakPolarHBondContact O-CB 3.3Å; I380-I383 PolarHBondContact O-N 3.35Å; M381-I383 VanDerWaalsContact C-N 3.3Å; M381-I383 PolarHBondContact O-N 2.82Å; I383-E385 VanDerWaalsContact C-N 3.26Å; I383-E385 PolarHBondContact O-N 2.87Å; I383-M386 PolarHBondContact O-N 3.41Å; I383-M386 VanDerWaalsContact O-N 3.09Å; I383-Q387 HydrophobicContact CG2-CG 4.31Å; I383-Q387 WeakPolarHBondContact O-CG 3.4Å; I383-Q387 PolarHBondContact O-N 3.31Å; I383-V432 HydrophobicContact CD1-CG2 4.22Å; I383-Y434 HydrophobicContact CD1-CD2 3.82Å; I383-Y434 HydrophobicContact CD1-CE2 4.41Å; I383-Y434 HydrophobicContact CG1-CD2 4.08Å; I383-Y434 HydrophobicContact CG1-CE2 4.21Å; I383-Y437 HydrophobicContact CD1-CD1 4.25Å; I383-Y437 HydrophobicContact CG1-CD1 4.28Å; I383-Y437 HydrophobicContact CG2-CD1 3.8Å; I383-Y437 HydrophobicContact CG2-CE1 3.44Å; I383-Y437 VanDerWaalsContact CG2-CE1 3.44Å; I383-M438 HydrophobicContact CB-SD 4.24Å; I383-M438 HydrophobicContact CG1-CG 3.98Å; I383-M438 HydrophobicContact CG1-SD 3.6Å; I383-M438 VanDerWaalsContact CG1-SD 3.6Å
384S98.7Very high97.5Very high1 Ų17.3 Ų7.31%0.0074%0.04CC..Hα-helixtrans-55.8-43.3175.1-63.40000111.4S14 G372 I380 M381 M386 Q387 C388S14-S384 WeakPolarHBondContact OG-CB 3.31Å; S14-S384 PolarHBondContact OG-OG 3.43Å; G372-S384 VanDerWaalsContact CA-OG 3.28Å; G372-S384 WeakPolarHBondContact CA-OG 3.41Å; I380-S384 PolarHBondContact O-N 3.48Å; I380-S384 PolarHBondContact O-OG 3.24Å; M381-S384 PolarHBondContact O-N 2.84Å; S384-M386 PolarHBondContact O-N 3.46Å; S384-Q387 WeakPolarHBondContact O-CB 3.24Å; S384-Q387 PolarHBondContact O-N 3.49Å; S384-C388 PolarHBondContact O-N 3.06Å; S384-C388 PolarHBondContact O-SG 2.99Å
385E98.8Very high97.6Very high2 Ų28 Ų81%0.0094%0.043CC..Hα-helixtrans-61.7-44.2175.5-168.4-162.8171.500112.3T17 I21 F70 S71 M381 P382 I383 Q387 C388 R389 R476T17-E385 HydrophobicContact CG2-CB 3.85Å; T17-E385 HydrophobicContact CG2-CG 3.94Å; I21-E385 HydrophobicContact CD1-CG 4.47Å; F70-E385 WeakPolarHBondContact CA-OE2 3.06Å; S71-E385 VanDerWaalsContact CB-OE2 3.24Å; S71-E385 WeakPolarHBondContact CB-OE2 3.31Å; S71-E385 PolarHBondContact N-OE2 2.79Å; S71-E385 PolarHBondContact OG-OE1 3.48Å; S71-E385 PolarHBondContact OG-OE2 2.94Å; M381-E385 PolarHBondContact O-N 3.25Å; M381-E385 VanDerWaalsContact O-N 3.15Å; P382-E385 PolarHBondContact O-N 3.15Å; I383-E385 VanDerWaalsContact C-N 3.26Å; I383-E385 PolarHBondContact O-N 2.87Å; E385-Q387 VanDerWaalsContact C-N 3.34Å; E385-Q387 PolarHBondContact O-N 3.26Å; E385-C388 WeakPolarHBondContact O-CB 3.48Å; E385-C388 PolarHBondContact O-N 2.93Å; E385-R389 WeakPolarHBondContact O-CG 3.23Å; E385-R389 PolarHBondContact O-N 3.49Å; E385-R476 IonicContact OE1-CZ 2.62Å; E385-R476 IonicContact OE1-NE 3.11Å; E385-R476 IonicContact OE1-NH2 3.69Å; E385-R476 PolarHBondContact OE1-NH2 3.32Å
386M98.9Very high97.8Very high3 Ų38.3 Ų8.32%0.0155%0.051CC..Hα-helixtrans-64.4-39.1177.5-176.356.364.300111.8P382 I383 S384 C388 R389 V390 M438 L441 I445 Y475P382-M386 WeakPolarHBondContact O-CB 3.39Å; P382-M386 PolarHBondContact O-N 3Å; I383-M386 PolarHBondContact O-N 3.41Å; I383-M386 VanDerWaalsContact O-N 3.09Å; S384-M386 PolarHBondContact O-N 3.46Å; M386-C388 VanDerWaalsContact C-N 3.34Å; M386-R389 PolarHBondContact O-N 3.26Å; M386-R389 HydrophobicContact SD-CB 4.46Å; M386-V390 WeakPolarHBondContact O-CG2 3.35Å; M386-V390 PolarHBondContact O-N 3.23Å; M386-M438 HydrophobicContact CB-CE 3.87Å; M386-M438 HydrophobicContact CB-SD 3.72Å; M386-M438 HydrophobicContact CE-CE 4.08Å; M386-M438 HydrophobicContact CG-CE 4.31Å; M386-M438 HydrophobicContact CG-SD 4.15Å; M386-L441 HydrophobicContact CB-CD1 4.5Å; M386-L441 HydrophobicContact CG-CB 3.57Å; M386-L441 HydrophobicContact CG-CD1 4.06Å; M386-L441 HydrophobicContact SD-CB 4.44Å; M386-I445 HydrophobicContact SD-CD1 3.94Å; M386-Y475 VanDerWaalsContact CE-CB 3.49Å; M386-Y475 HydrophobicContact CE-CD1 3.98Å; M386-Y475 HydrophobicContact CE-CG 3.79Å
387Q98.9Very high97.8Very high0 Ų010.5 Ų10.50%08%0.076CC..Hα-helixtrans-59.5-45.1172-71.1-176.8-56.600110.6M357 I371 I383 S384 E385 R389 V390 A391 Y437 L441M357-Q387 HydrophobicContact CE-CB 3.74Å; M357-Q387 HydrophobicContact CE-CG 4.27Å; M357-Q387 WeakPolarHBondContact CE-O 3.32Å; M357-Q387 HydrophobicContact CG-CB 4.37Å; M357-Q387 HydrophobicContact CG-CG 4.02Å; M357-Q387 VanDerWaalsContact CG-NE2 3.26Å; M357-Q387 HydrophobicContact SD-CB 3.75Å; M357-Q387 HydrophobicContact SD-CG 3.58Å; M357-Q387 VanDerWaalsContact SD-CG 3.58Å; I371-Q387 HydrophobicContact CD1-CB 3.82Å; I371-Q387 HydrophobicContact CG2-CB 4.31Å; I383-Q387 HydrophobicContact CG2-CG 4.31Å; I383-Q387 WeakPolarHBondContact O-CG 3.4Å; I383-Q387 PolarHBondContact O-N 3.31Å; S384-Q387 WeakPolarHBondContact O-CB 3.24Å; S384-Q387 PolarHBondContact O-N 3.49Å; E385-Q387 VanDerWaalsContact C-N 3.34Å; E385-Q387 PolarHBondContact O-N 3.26Å; Q387-R389 VanDerWaalsContact C-N 3.33Å; Q387-R389 PolarHBondContact O-N 3.34Å; Q387-V390 PolarHBondContact O-N 3.1Å; Q387-A391 WeakPolarHBondContact O-CB 3.39Å; Q387-A391 PolarHBondContact O-N 3.45Å; Q387-Y437 PolarHBondContact NE2-OH 3.1Å; Q387-L441 HydrophobicContact CG-CD1 3.67Å
388C98.9Very high98Very high0 Ų016.6 Ų16.60%010%0.103CC..Hα-helixtrans-59.2-42.3173.7-650000112.2A18 I21 I371 S384 E385 M386 A391 C392A18-C388 WeakPolarHBondContact CA-SG 3.41Å; A18-C388 PolarHBondContact N-SG 3.37Å; A18-C388 VanDerWaalsContact N-SG 3.45Å; I21-C388 HydrophobicContact CB-CB 4.1Å; I21-C388 HydrophobicContact CG1-CB 3.89Å; I21-C388 HydrophobicContact CG2-CB 4.48Å; I371-C388 VanDerWaalsContact CG2-SG 3.57Å; S384-C388 PolarHBondContact O-N 3.06Å; S384-C388 PolarHBondContact O-SG 2.99Å; E385-C388 WeakPolarHBondContact O-CB 3.48Å; E385-C388 PolarHBondContact O-N 2.93Å; M386-C388 VanDerWaalsContact C-N 3.34Å; C388-A391 PolarHBondContact O-N 3.17Å; C388-C392 PolarHBondContact O-N 2.97Å; C388-C392 PolarHBondContact O-SG 2.86Å
389R98.8Very high98.1Very high0 Ų017.1 Ų17.10%011%0.106CC..Hα-helixtrans-62.1-43.1177-70.4177.172.2-165.7-0.2112.5I21 E385 M386 Q387 H393 I445 Y475 P480I21-R389 HydrophobicContact CD1-CG 3.67Å; I21-R389 HydrophobicContact CG1-CG 3.96Å; I21-R389 HydrophobicContact CG2-CG 4.14Å; E385-R389 WeakPolarHBondContact O-CG 3.23Å; E385-R389 PolarHBondContact O-N 3.49Å; M386-R389 PolarHBondContact O-N 3.26Å; M386-R389 HydrophobicContact SD-CB 4.46Å; Q387-R389 VanDerWaalsContact C-N 3.33Å; Q387-R389 PolarHBondContact O-N 3.34Å; R389-H393 VanDerWaalsContact O-CB 3.25Å; R389-H393 WeakPolarHBondContact O-CB 3.44Å; R389-H393 PolarHBondContact O-N 3.25Å; R389-H393 VanDerWaalsContact O-N 3.09Å; R389-I445 HydrophobicContact CB-CD1 3.89Å; R389-Y475 PolarHBondContact NH1-O 2.53Å; R389-Y475 PolarHBondContact NH2-O 2.75Å; R389-P480 PolarHBondContact NH2-O 3.35Å
390V98.8Very high98.1Very high0 Ų024.1 Ų24.10%014%0.143CC..Hα-helixtrans-64.4-47.2174.6171.30000110.6M357 M386 Q387 C392 H393 L394 L441 I444 I445M357-V390 HydrophobicContact CE-CB 4.41Å; M357-V390 HydrophobicContact CE-CG1 4.43Å; M386-V390 WeakPolarHBondContact O-CG2 3.35Å; M386-V390 PolarHBondContact O-N 3.23Å; Q387-V390 PolarHBondContact O-N 3.1Å; V390-C392 PolarHBondContact O-N 3.28Å; V390-H393 WeakPolarHBondContact O-CB 3.37Å; V390-H393 PolarHBondContact O-N 3.3Å; V390-L394 HydrophobicContact CG1-CD1 3.77Å; V390-L394 HydrophobicContact CG1-CG 4.37Å; V390-L394 WeakPolarHBondContact O-CG 3.39Å; V390-L394 PolarHBondContact O-N 3.43Å; V390-L441 HydrophobicContact CG2-CB 3.89Å; V390-L441 HydrophobicContact CG2-CD2 4.32Å; V390-L441 WeakPolarHBondContact CG2-O 3.06Å; V390-I444 HydrophobicContact CG1-CD1 4.03Å; V390-I444 HydrophobicContact CG1-CG2 4.26Å; V390-I444 HydrophobicContact CG2-CB 4.49Å; V390-I444 HydrophobicContact CG2-CD1 4.49Å; V390-I445 HydrophobicContact CG2-CG2 4.04Å
391A98.8Very high98.1Very high0 Ų023.5 Ų23.50%014%0.14CC..Hα-helixtrans-58.7-49.5-179.400000112.7F147 M357 Y358 P369 I371 Q387 C388 H393 L394 L395F147-A391 HydrophobicContact CE1-CB 4.43Å; F147-A391 HydrophobicContact CE2-CB 3.74Å; F147-A391 HydrophobicContact CZ-CB 3.64Å; M357-A391 HydrophobicContact CE-CB 4.04Å; Y358-A391 VanDerWaalsContact OH-CA 3.24Å; Y358-A391 WeakPolarHBondContact OH-CA 3.29Å; P369-A391 HydrophobicContact CB-CB 4.02Å; P369-A391 HydrophobicContact CG-CB 3.84Å; I371-A391 HydrophobicContact CD1-CB 4.45Å; Q387-A391 WeakPolarHBondContact O-CB 3.39Å; Q387-A391 PolarHBondContact O-N 3.45Å; C388-A391 PolarHBondContact O-N 3.17Å; A391-H393 VanDerWaalsContact C-N 3.31Å; A391-H393 PolarHBondContact O-N 2.84Å; A391-L394 PolarHBondContact O-N 2.81Å; A391-L395 VanDerWaalsContact O-CB 3.29Å; A391-L395 WeakPolarHBondContact O-CB 3.16Å; A391-L395 PolarHBondContact O-N 2.83Å
392C98.7Very high98.1Very high0 Ų025.4 Ų25.40%015%0.153CC..Hα-helixtrans-68.7-30.6177.7-62.30000112.7I21 Y25 F27 C388 V390 A396I21-C392 HydrophobicContact CG2-CB 3.8Å; Y25-C392 HydrophobicContact CD1-CB 4.46Å; Y25-C392 HydrophobicContact CD2-CB 3.27Å; Y25-C392 HydrophobicContact CE2-CB 3.53Å; Y25-C392 HydrophobicContact CG-CB 3.79Å; F27-C392 HydrophobicContact CD2-CB 4.48Å; F27-C392 HydrophobicContact CE2-CB 3.91Å; C388-C392 PolarHBondContact O-N 2.97Å; C388-C392 PolarHBondContact O-SG 2.86Å; V390-C392 PolarHBondContact O-N 3.28Å; C392-A396 WeakPolarHBondContact O-CB 3.48Å; C392-A396 PolarHBondContact O-N 2.7Å
393H98.5Very high98Very high18 Ų1828.1 Ų28.18%0.08317%0.172CC..Hα-helixtrans-64.7-43.6175.1-165.277000112.6Y25 R389 V390 A391 F398 I445Y25-H393 HydrophobicContact CE1-CB 4.49Å; Y25-H393 WeakPolarHBondContact OH-CA 3.49Å; Y25-H393 VanDerWaalsContact OH-CB 3.29Å; Y25-H393 WeakPolarHBondContact OH-CB 3.3Å; Y25-H393 PolarHBondContact OH-ND1 2.93Å; Y25-H393 VanDerWaalsContact OH-ND1 3.08Å; R389-H393 VanDerWaalsContact O-CB 3.25Å; R389-H393 WeakPolarHBondContact O-CB 3.44Å; R389-H393 PolarHBondContact O-N 3.25Å; R389-H393 VanDerWaalsContact O-N 3.09Å; V390-H393 WeakPolarHBondContact O-CB 3.37Å; V390-H393 PolarHBondContact O-N 3.3Å; A391-H393 VanDerWaalsContact C-N 3.31Å; A391-H393 PolarHBondContact O-N 2.84Å; H393-F398 WeakPolarHBondContact CE1-CB 3.28Å; H393-F398 AromaticContact CE1-CG 3.95Å; H393-F398 AromaticContact ND1-CD2 3.86Å; H393-F398 WeakPolarHBondContact NE2-CB 3.31Å; H393-F398 PolarHBondContact O-N 2.97Å; H393-F398 VanDerWaalsContact O-N 3.12Å; H393-I445 HydrophobicContact CB-CG2 3.54Å
394L98.3Very high98Very high11 Ų1134.8 Ų34.86%0.05820%0.197CC..Hα-helixtrans-67.6-46.4175.4-68.8168.6000110.8Y358 E366 V390 A391 A396 G397 A399 L401Y358-L394 HydrophobicContact CE2-CD1 3.92Å; Y358-L394 WeakPolarHBondContact OH-CD1 3.41Å; E366-L394 HydrophobicContact CB-CB 4.4Å; V390-L394 HydrophobicContact CG1-CD1 3.77Å; V390-L394 HydrophobicContact CG1-CG 4.37Å; V390-L394 WeakPolarHBondContact O-CG 3.39Å; V390-L394 PolarHBondContact O-N 3.43Å; A391-L394 PolarHBondContact O-N 2.81Å; L394-A396 PolarHBondContact O-N 2.83Å; L394-G397 WeakPolarHBondContact O-CA 3.43Å; L394-G397 PolarHBondContact O-N 2.8Å; L394-A399 HydrophobicContact CD2-CB 3.89Å; L394-A399 WeakPolarHBondContact CD2-O 3.15Å; L394-L401 HydrophobicContact CD1-CD2 3.65Å; L394-L401 HydrophobicContact CD1-CG 4.1Å
395L97.7Very high97.9Very high18 Ų1841.2 Ų41.29%0.09423%0.227CC..Hα-helixtrans-64.2-28.7179.5-168.464.8000112.8M4 V6 F27 A145 F147 T367 A391 G397M4-L395 HydrophobicContact CE-CD1 4.18Å; M4-L395 HydrophobicContact CE-CG 4.1Å; M4-L395 HydrophobicContact CG-CD2 3.93Å; M4-L395 HydrophobicContact CG-CG 4.22Å; M4-L395 HydrophobicContact SD-CD1 4.36Å; M4-L395 HydrophobicContact SD-CD2 4.47Å; M4-L395 HydrophobicContact SD-CG 4.35Å; V6-L395 HydrophobicContact CG2-CD2 3.9Å; F27-L395 HydrophobicContact CD2-CD2 4.22Å; F27-L395 HydrophobicContact CE2-CB 4.07Å; F27-L395 HydrophobicContact CE2-CD2 3.77Å; F27-L395 HydrophobicContact CE2-CG 4.11Å; F27-L395 HydrophobicContact CZ-CB 4.22Å; F27-L395 HydrophobicContact CZ-CD2 4.33Å; F27-L395 HydrophobicContact CZ-CG 4.23Å; A145-L395 HydrophobicContact CB-CD1 4.01Å; A145-L395 HydrophobicContact CB-CD2 3.63Å; F147-L395 HydrophobicContact CE1-CD2 4.23Å; F147-L395 HydrophobicContact CZ-CD2 4.47Å; T367-L395 HydrophobicContact CG2-CD1 4.24Å; A391-L395 VanDerWaalsContact O-CB 3.29Å; A391-L395 WeakPolarHBondContact O-CB 3.16Å; A391-L395 PolarHBondContact O-N 2.83Å; L395-G397 PolarHBondContact O-N 2.86Å
396A97.2Very high97.9Very high36 Ų3646.4 Ų46.430%0.29825%0.251SS..THydrogen-bonded Turntrans-78.5-2.8172.900000113.6Y25 F27 C392 L394 F398Y25-A396 HydrophobicContact CD1-CB 3.7Å; Y25-A396 HydrophobicContact CE1-CB 4.04Å; F27-A396 HydrophobicContact CE1-CB 4.36Å; F27-A396 HydrophobicContact CZ-CB 3.82Å; C392-A396 WeakPolarHBondContact O-CB 3.48Å; C392-A396 PolarHBondContact O-N 2.7Å; L394-A396 PolarHBondContact O-N 2.83Å; A396-F398 VanDerWaalsContact C-N 3.35Å; A396-F398 HydrophobicContact CB-CD2 3.49Å; A396-F398 VanDerWaalsContact CB-CD2 3.49Å; A396-F398 HydrophobicContact CB-CE2 3.48Å; A396-F398 VanDerWaalsContact CB-CE2 3.48Å; A396-F398 HydrophobicContact CB-CG 4.47Å; A396-F398 HydrophobicContact CB-CZ 4.44Å; A396-F398 PolarHBondContact O-N 2.84Å
397G96.3Very high97.8Very high56 Ų5646.6 Ų46.658%0.57725%0.252SS*.THydrogen-bonded Turntrans75.317.4179.200000114.8L394 L395 A399L394-G397 WeakPolarHBondContact O-CA 3.43Å; L394-G397 PolarHBondContact O-N 2.8Å; L395-G397 PolarHBondContact O-N 2.86Å; G397-A399 VanDerWaalsContact C-N 3.33Å
398F97.4Very high97.7Very high136 Ų13649.8 Ų49.860%0.59627%0.267SS*.SBendtrans-80.2-16178.1-65.2-58.3000113.5Y25 H393 A396Y25-F398 HydrophobicContact CD1-CD2 4.38Å; Y25-F398 AromaticContact CD1-CE2 3.95Å; Y25-F398 HydrophobicContact CD1-CE2 3.95Å; Y25-F398 AromaticContact CE1-CD2 3.74Å; Y25-F398 HydrophobicContact CE1-CD2 3.74Å; Y25-F398 AromaticContact CE1-CE2 3.65Å; Y25-F398 HydrophobicContact CE1-CE2 3.65Å; H393-F398 WeakPolarHBondContact CE1-CB 3.28Å; H393-F398 AromaticContact CE1-CG 3.95Å; H393-F398 AromaticContact ND1-CD2 3.86Å; H393-F398 WeakPolarHBondContact NE2-CB 3.31Å; H393-F398 PolarHBondContact O-N 2.97Å; H393-F398 VanDerWaalsContact O-N 3.12Å; A396-F398 VanDerWaalsContact C-N 3.35Å; A396-F398 HydrophobicContact CB-CD2 3.49Å; A396-F398 VanDerWaalsContact CB-CD2 3.49Å; A396-F398 HydrophobicContact CB-CE2 3.48Å; A396-F398 VanDerWaalsContact CB-CE2 3.48Å; A396-F398 HydrophobicContact CB-CG 4.47Å; A396-F398 HydrophobicContact CB-CZ 4.44Å; A396-F398 PolarHBondContact O-N 2.84Å
399A96.4Very high97.6Very high26 Ų2655.5 Ų55.522%0.21530%0.295CS..SBendtrans-150.9165.6170.800000109.4L394 G397L394-A399 HydrophobicContact CD2-CB 3.89Å; L394-A399 WeakPolarHBondContact CD2-O 3.15Å; G397-A399 VanDerWaalsContact C-N 3.33Å
400N96.2Very high97.5Very high148 Ų14856.5 Ų56.579%0.79130%0.3SS*.  trans-115.7151175.8-63.7-46.5000110.5
401L97.9Very high97.2Very high33 Ų3356.8 Ų56.817%0.17330%0.302CS..PPolyproline II helixtrans-65.6152.1165.7-72173.3000110.3Y354 Y358 P365 E366 L394 M407Y354-L401 HydrophobicContact CD1-CD2 4.09Å; Y354-L401 HydrophobicContact CE1-CD2 4.02Å; Y358-L401 HydrophobicContact CD1-CD1 4.08Å; Y358-L401 HydrophobicContact CD2-CD1 4.43Å; Y358-L401 HydrophobicContact CD2-CD2 3.7Å; Y358-L401 HydrophobicContact CE2-CD2 3.89Å; Y358-L401 HydrophobicContact CG-CD1 4.01Å; Y358-L401 HydrophobicContact CG-CD2 4.12Å; P365-L401 HydrophobicContact CB-CD1 3.8Å; P365-L401 HydrophobicContact CG-CD1 4.45Å; E366-L401 HydrophobicContact CB-CD1 3.93Å; L394-L401 HydrophobicContact CD1-CD2 3.65Å; L394-L401 HydrophobicContact CD1-CG 4.1Å; L401-M407 HydrophobicContact CB-SD 4.31Å; L401-M407 HydrophobicContact CD1-SD 4.46Å
402P97.4Very high97Very high45 Ų4560 Ų6029%0.29233%0.325SS..PPolyproline II helixtrans-61170.1169.6-1932000111.8Y354 E406 M407Y354-P402 HydrophobicContact CE1-CG 4.04Å; P402-E406 HydrophobicContact CB-CB 3.81Å; P402-M407 HydrophobicContact CB-CG 4.24Å; P402-M407 HydrophobicContact CG-CG 4.44Å; P402-M407 WeakPolarHBondContact O-CE 3.31Å
403S97.5Very high96.8Very high57 Ų5766.5 Ų66.540%0.39935%0.349SS..PPolyproline II helixtrans-60.3156172.566.80000111.6Q405 E406 M407S403-Q405 PolarHBondContact O-N 3.24Å; S403-E406 WeakPolarHBondContact CB-OE2 3.32Å; S403-E406 PolarHBondContact N-OE2 2.72Å; S403-E406 PolarHBondContact O-N 3.07Å; S403-E406 VanDerWaalsContact O-N 3.07Å; S403-E406 VanDerWaalsContact OG-CD 3.29Å; S403-E406 VanDerWaalsContact OG-CG 3.24Å; S403-E406 WeakPolarHBondContact OG-CG 3.46Å; S403-E406 PolarHBondContact OG-N 2.86Å; S403-E406 PolarHBondContact OG-OE2 2.65Å; S403-M407 PolarHBondContact O-N 3.22Å
404R97.2Very high96.5Very high140 Ų14067.1 Ų67.153%0.52836%0.355SS..Hα-helixtrans-51.2-43.9176174.7172.9174.5178.51112.6S360 M407 E408S360-R404 WeakPolarHBondContact O-CD 3.25Å; S360-R404 WeakPolarHBondContact O-CG 3.46Å; R404-M407 PolarHBondContact O-N 3.05Å; R404-E408 HydrophobicContact CG-CG 4.37Å; R404-E408 WeakPolarHBondContact CG-OE1 3.36Å; R404-E408 IonicContact CZ-OE1 2.76Å; R404-E408 IonicContact NE-OE1 3.7Å; R404-E408 PolarHBondContact NE-OE1 3.07Å; R404-E408 IonicContact NH2-OE1 3.94Å; R404-E408 PolarHBondContact NH2-OE1 3.26Å; R404-E408 WeakPolarHBondContact O-CB 3.49Å; R404-E408 WeakPolarHBondContact O-CG 3.31Å; R404-E408 PolarHBondContact O-N 2.99Å
405Q97.7Very high96.2Very high137 Ų13767.4 Ų67.464%0.6436%0.356SS*.Hα-helixtrans-62.4-44.1179.1-174.7179.710.400111.8S403 E408 M409S403-Q405 PolarHBondContact O-N 3.24Å; Q405-E408 PolarHBondContact O-N 3.15Å; Q405-M409 HydrophobicContact CG-SD 4.11Å; Q405-M409 WeakPolarHBondContact O-CB 3.21Å; Q405-M409 VanDerWaalsContact O-CG 3.23Å; Q405-M409 WeakPolarHBondContact O-CG 3.39Å; Q405-M409 PolarHBondContact O-N 2.84Å
406E97.9Very high95.9Very high110 Ų11070 Ų7051%0.51437%0.367SS..Hα-helixtrans-64.6-41177.6-70.8167125.800111.7P402 S403 M409 D410P402-E406 HydrophobicContact CB-CB 3.81Å; S403-E406 WeakPolarHBondContact CB-OE2 3.32Å; S403-E406 PolarHBondContact N-OE2 2.72Å; S403-E406 PolarHBondContact O-N 3.07Å; S403-E406 VanDerWaalsContact O-N 3.07Å; S403-E406 VanDerWaalsContact OG-CD 3.29Å; S403-E406 VanDerWaalsContact OG-CG 3.24Å; S403-E406 WeakPolarHBondContact OG-CG 3.46Å; S403-E406 PolarHBondContact OG-N 2.86Å; S403-E406 PolarHBondContact OG-OE2 2.65Å; E406-M409 PolarHBondContact O-N 2.76Å; E406-D410 WeakPolarHBondContact O-CB 3.31Å; E406-D410 PolarHBondContact O-N 2.8Å
407M98Very high95.6Very high7 Ų773.6 Ų73.63%0.03438%0.378CS..Hα-helixtrans-61.5-47.1175.3-72.8-166.2-73.600111.9Y354 P365 L401 P402 S403 R404 D410 C411Y354-M407 HydrophobicContact CD1-CG 3.79Å; Y354-M407 HydrophobicContact CD1-SD 3.77Å; Y354-M407 HydrophobicContact CD2-CB 4.2Å; Y354-M407 HydrophobicContact CD2-CG 4.01Å; Y354-M407 HydrophobicContact CE1-CG 4.32Å; Y354-M407 HydrophobicContact CG-CB 4Å; Y354-M407 HydrophobicContact CG-CG 3.6Å; Y354-M407 HydrophobicContact CG-SD 3.97Å; P365-M407 HydrophobicContact CG-CE 4.36Å; L401-M407 HydrophobicContact CB-SD 4.31Å; L401-M407 HydrophobicContact CD1-SD 4.46Å; P402-M407 HydrophobicContact CB-CG 4.24Å; P402-M407 HydrophobicContact CG-CG 4.44Å; P402-M407 WeakPolarHBondContact O-CE 3.31Å; S403-M407 PolarHBondContact O-N 3.22Å; R404-M407 PolarHBondContact O-N 3.05Å; M407-D410 PolarHBondContact O-N 2.76Å; M407-C411 PolarHBondContact O-N 2.8Å; M407-C411 PolarHBondContact O-SG 3.01Å
408E96.5Very high95.4Very high68 Ų6871.9 Ų71.932%0.31836%0.355SS..Hα-helixtrans-65.9-37.7179-72.4173.9175.100112.4S360 R404 Q405 S412S360-E408 WeakPolarHBondContact OG-CG 3.37Å; R404-E408 HydrophobicContact CG-CG 4.37Å; R404-E408 WeakPolarHBondContact CG-OE1 3.36Å; R404-E408 IonicContact CZ-OE1 2.76Å; R404-E408 IonicContact NE-OE1 3.7Å; R404-E408 PolarHBondContact NE-OE1 3.07Å; R404-E408 IonicContact NH2-OE1 3.94Å; R404-E408 PolarHBondContact NH2-OE1 3.26Å; R404-E408 WeakPolarHBondContact O-CB 3.49Å; R404-E408 WeakPolarHBondContact O-CG 3.31Å; R404-E408 PolarHBondContact O-N 2.99Å; Q405-E408 PolarHBondContact O-N 3.15Å; E408-S412 WeakPolarHBondContact O-CB 3.41Å; E408-S412 PolarHBondContact O-N 2.98Å; E408-S412 PolarHBondContact O-OG 3.27Å
409M97Very high95Very high120 Ų12071.8 Ų71.859%0.59135%0.351SS*.Hα-helixtrans-63.7-43.1173.4-75.5175.96200111.7Q405 E406 S412 R413Q405-M409 HydrophobicContact CG-SD 4.11Å; Q405-M409 WeakPolarHBondContact O-CB 3.21Å; Q405-M409 VanDerWaalsContact O-CG 3.23Å; Q405-M409 WeakPolarHBondContact O-CG 3.39Å; Q405-M409 PolarHBondContact O-N 2.84Å; E406-M409 PolarHBondContact O-N 2.76Å; M409-S412 PolarHBondContact O-N 2.98Å; M409-R413 WeakPolarHBondContact O-CB 3.48Å; M409-R413 PolarHBondContact O-N 2.82Å
410D95.6Very high94.7Very high20 Ų2079.4 Ų79.411%0.10737%0.374CS..Hα-helixtrans-65.3-44.3177.1-176.673.3000112.4Y354 E406 M407 S412 R413 T414Y354-D410 HydrophobicContact CD2-CB 3.97Å; Y354-D410 WeakPolarHBondContact CD2-OD2 3.27Å; Y354-D410 HydrophobicContact CE2-CB 3.98Å; Y354-D410 WeakPolarHBondContact CE2-OD2 3.15Å; E406-D410 WeakPolarHBondContact O-CB 3.31Å; E406-D410 PolarHBondContact O-N 2.8Å; M407-D410 PolarHBondContact O-N 2.76Å; D410-S412 VanDerWaalsContact C-N 3.34Å; D410-S412 PolarHBondContact O-N 3.04Å; D410-R413 PolarHBondContact O-N 3.03Å; D410-R413 IonicContact OD1-CZ 3.75Å; D410-R413 IonicContact OD1-NE 3.41Å; D410-R413 IonicContact OD1-NH2 3.54Å; D410-R413 PolarHBondContact OD1-NH2 3.4Å; D410-T414 WeakPolarHBondContact O-CB 3.33Å; D410-T414 PolarHBondContact O-N 3.33Å; D410-T414 PolarHBondContact O-OG1 3.37Å
411C93.9Very high94.5Very high6 Ų676.1 Ų76.14%0.04135%0.35CS..Hα-helixtrans-54.5-50.7172.7-73.70000111.2L353 Y354 M407 R413 T414 Q415L353-C411 PolarHBondContact O-SG 3.23Å; Y354-C411 VanDerWaalsContact CA-SG 3.52Å; Y354-C411 PolarHBondContact N-SG 2.91Å; M407-C411 PolarHBondContact O-N 2.8Å; M407-C411 PolarHBondContact O-SG 3.01Å; C411-R413 VanDerWaalsContact C-N 3.35Å; C411-R413 PolarHBondContact O-N 2.69Å; C411-T414 PolarHBondContact O-N 3.46Å; C411-Q415 WeakPolarHBondContact O-CG 3.38Å; C411-Q415 PolarHBondContact O-N 2.94Å
412S93.8Very high94.2Very high67 Ų6775.3 Ų75.347%0.46935%0.345SS..Hα-helixtrans-60.8-43.8-179-61.90000111.8E408 M409 D410 E416E408-S412 WeakPolarHBondContact O-CB 3.41Å; E408-S412 PolarHBondContact O-N 2.98Å; E408-S412 PolarHBondContact O-OG 3.27Å; M409-S412 PolarHBondContact O-N 2.98Å; D410-S412 VanDerWaalsContact C-N 3.34Å; D410-S412 PolarHBondContact O-N 3.04Å; S412-E416 WeakPolarHBondContact O-CB 3.05Å; S412-E416 PolarHBondContact O-N 2.97Å; S412-E416 VanDerWaalsContact O-N 3.07Å
413R94.8Very high93.7Very high138 Ų13874.6 Ų74.652%0.52134%0.34SS..Hα-helixtrans-60.3-50.3174.9177.5-177.265.1158.30.3111.5M409 D410 C411 Q415 E416 E417M409-R413 WeakPolarHBondContact O-CB 3.48Å; M409-R413 PolarHBondContact O-N 2.82Å; D410-R413 PolarHBondContact O-N 3.03Å; D410-R413 IonicContact OD1-CZ 3.75Å; D410-R413 IonicContact OD1-NE 3.41Å; D410-R413 IonicContact OD1-NH2 3.54Å; D410-R413 PolarHBondContact OD1-NH2 3.4Å; C411-R413 VanDerWaalsContact C-N 3.35Å; C411-R413 PolarHBondContact O-N 2.69Å; R413-Q415 VanDerWaalsContact C-N 3.32Å; R413-Q415 PolarHBondContact O-N 2.79Å; R413-E416 PolarHBondContact O-N 2.91Å; R413-E416 VanDerWaalsContact O-N 3.16Å; R413-E417 WeakPolarHBondContact O-CG 3.43Å; R413-E417 PolarHBondContact O-N 3.33Å
414T92.8Very high93Very high31 Ų3182 Ų8219%0.1936%0.359CS..Hα-helixtrans-60.7-42.6-178.2-60.10000111.3Y356 D410 C411 E416 E417 I418Y356-T414 HydrophobicContact CE2-CG2 4.06Å; Y356-T414 VanDerWaalsContact OH-CG2 3.31Å; Y356-T414 WeakPolarHBondContact OH-CG2 3.46Å; D410-T414 WeakPolarHBondContact O-CB 3.33Å; D410-T414 PolarHBondContact O-N 3.33Å; D410-T414 PolarHBondContact O-OG1 3.37Å; C411-T414 PolarHBondContact O-N 3.46Å; T414-E416 VanDerWaalsContact C-N 3.35Å; T414-E416 PolarHBondContact O-N 3.47Å; T414-E417 PolarHBondContact O-N 2.93Å; T414-I418 WeakPolarHBondContact O-CG1 3.42Å; T414-I418 PolarHBondContact O-N 3.43Å
415Q90Very high92.4Very high17 Ų1776.6 Ų76.68%0.07934%0.343CS..Hα-helixtrans-63.7-39.8176.1-71.6-165-1.300112.5N350 I351 C411 R413 I418 R419N350-Q415 PolarHBondContact ND2-NE2 2.79Å; N350-Q415 PolarHBondContact OD1-NE2 3.27Å; I351-Q415 PolarHBondContact O-NE2 2.82Å; C411-Q415 WeakPolarHBondContact O-CG 3.38Å; C411-Q415 PolarHBondContact O-N 2.94Å; R413-Q415 VanDerWaalsContact C-N 3.32Å; R413-Q415 PolarHBondContact O-N 2.79Å; Q415-I418 PolarHBondContact O-N 3.15Å; Q415-R419 WeakPolarHBondContact O-CB 3.45Å; Q415-R419 VanDerWaalsContact O-CG 3.24Å; Q415-R419 WeakPolarHBondContact O-CG 3.45Å; Q415-R419 PolarHBondContact O-N 2.97Å
416E92Very high91.7Very high72 Ų7272.2 Ų72.234%0.33633%0.327SS..Hα-helixtrans-67.1-41.2177.1-179.257.8-164.100111.9S412 R413 T414 I418 R419 R420S412-E416 WeakPolarHBondContact O-CB 3.05Å; S412-E416 PolarHBondContact O-N 2.97Å; S412-E416 VanDerWaalsContact O-N 3.07Å; R413-E416 PolarHBondContact O-N 2.91Å; R413-E416 VanDerWaalsContact O-N 3.16Å; T414-E416 VanDerWaalsContact C-N 3.35Å; T414-E416 PolarHBondContact O-N 3.47Å; E416-I418 VanDerWaalsContact C-N 3.33Å; E416-I418 PolarHBondContact O-N 3.17Å; E416-R419 PolarHBondContact O-N 2.83Å; E416-R420 WeakPolarHBondContact O-CG 3.42Å; E416-R420 PolarHBondContact O-N 2.99Å; E416-R420 IonicContact OE1-CZ 3.18Å; E416-R420 IonicContact OE1-NE 3.55Å; E416-R420 PolarHBondContact OE1-NE 3.07Å; E416-R420 IonicContact OE1-NH2 3.28Å; E416-R420 PolarHBondContact OE1-NH2 3.04Å
417E91.9Very high90.9Very high111 Ų11170.7 Ų70.752%0.51932%0.316SS..Hα-helixtrans-59.5-43.2174.4-72.8177.7-176.400111.7R413 T414 R420 R421R413-E417 WeakPolarHBondContact O-CG 3.43Å; R413-E417 PolarHBondContact O-N 3.33Å; T414-E417 PolarHBondContact O-N 2.93Å; E417-R420 PolarHBondContact O-N 2.95Å; E417-R421 WeakPolarHBondContact O-CB 3.45Å; E417-R421 PolarHBondContact O-N 2.82Å
418I90.5Very high90.3Very high20 Ų2071.1 Ų71.110%0.10332%0.318CS..Hα-helixtrans-63.9-46.5175-72.7177.7000111.3Y356 T414 Q415 E416 R420 R421 Y422 H428 Q431Y356-I418 WeakPolarHBondContact OH-CD1 3.45Å; T414-I418 WeakPolarHBondContact O-CG1 3.42Å; T414-I418 PolarHBondContact O-N 3.43Å; Q415-I418 PolarHBondContact O-N 3.15Å; E416-I418 VanDerWaalsContact C-N 3.33Å; E416-I418 PolarHBondContact O-N 3.17Å; I418-R420 PolarHBondContact O-N 3.25Å; I418-R421 PolarHBondContact O-N 3.07Å; I418-Y422 HydrophobicContact CB-CD2 4.34Å; I418-Y422 HydrophobicContact CG1-CD2 4.33Å; I418-Y422 HydrophobicContact CG1-CE2 4.48Å; I418-Y422 HydrophobicContact CG2-CD2 4Å; I418-Y422 PolarHBondContact O-N 3.35Å; I418-H428 VanDerWaalsContact CG2-O 3.25Å; I418-H428 WeakPolarHBondContact CG2-O 3.39Å; I418-Q431 HydrophobicContact CD1-CB 4.27Å; I418-Q431 WeakPolarHBondContact CD1-O 3.43Å
419R89.5Confident89.9Confident134 Ų13469.1 Ų69.151%0.50631%0.31SS..Hα-helixtrans-60.9-31.4179.7-75.6172-173.2175.24.9112.7Q415 E416Q415-R419 WeakPolarHBondContact O-CB 3.45Å; Q415-R419 VanDerWaalsContact O-CG 3.24Å; Q415-R419 WeakPolarHBondContact O-CG 3.45Å; Q415-R419 PolarHBondContact O-N 2.97Å; E416-R419 PolarHBondContact O-N 2.83Å
420R91Very high89.7Confident187 Ų18763.6 Ų63.671%0.70628%0.284SS*.Hα-helixtrans-76.7-41.1176.2-72.7176.3-174-173.74.2112.7E416 E417 I418E416-R420 WeakPolarHBondContact O-CG 3.42Å; E416-R420 PolarHBondContact O-N 2.99Å; E416-R420 IonicContact OE1-CZ 3.18Å; E416-R420 IonicContact OE1-NE 3.55Å; E416-R420 PolarHBondContact OE1-NE 3.07Å; E416-R420 IonicContact OE1-NH2 3.28Å; E416-R420 PolarHBondContact OE1-NH2 3.04Å; E417-R420 PolarHBondContact O-N 2.95Å; I418-R420 PolarHBondContact O-N 3.25Å
421R91.3Very high89.6Confident78 Ų7863 Ų6329%0.29428%0.28SS..Hα-helixtrans-83.9-46.6-174.8178.6172.6171.2-175.8-10.6112.9F279 Q280 E417 I418 D433F279-R421 PolarHBondContact O-NE 3.36Å; Q280-R421 WeakPolarHBondContact CA-O 3.34Å; Q280-R421 WeakPolarHBondContact CB-O 3.46Å; Q280-R421 WeakPolarHBondContact CG-O 3.48Å; E417-R421 WeakPolarHBondContact O-CB 3.45Å; E417-R421 PolarHBondContact O-N 2.82Å; I418-R421 PolarHBondContact O-N 3.07Å; R421-D433 IonicContact CZ-OD1 3.48Å; R421-D433 IonicContact CZ-OD2 3.77Å; R421-D433 IonicContact NH1-OD1 2.64Å; R421-D433 PolarHBondContact NH1-OD1 3.05Å; R421-D433 IonicContact NH1-OD2 3.49Å; R421-D433 PolarHBondContact NH1-OD2 3.18Å; R421-D433 IonicContact NH2-OD1 3.46Å; R421-D433 PolarHBondContact NH2-OD1 3.07Å; R421-D433 IonicContact NH2-OD2 2.67Å
422Y91.2Very high89.7Confident17 Ų1763.2 Ų63.27%0.06728%0.281CS..SBendtrans-97.8148.2-168.3-66.8-86.1000113.1Q280 I418 R424 Q431Q280-Y422 CarbonylContact O-C 3.51Å; Q280-Y422 WeakPolarHBondContact O-CA 3.29Å; I418-Y422 HydrophobicContact CB-CD2 4.34Å; I418-Y422 HydrophobicContact CG1-CD2 4.33Å; I418-Y422 HydrophobicContact CG1-CE2 4.48Å; I418-Y422 HydrophobicContact CG2-CD2 4Å; I418-Y422 PolarHBondContact O-N 3.35Å; Y422-R424 PolarHBondContact O-N 3.18Å; Y422-Q431 HydrophobicContact CD1-CG 3.96Å; Y422-Q431 HydrophobicContact CD2-CB 4.02Å; Y422-Q431 HydrophobicContact CD2-CG 4.1Å; Y422-Q431 HydrophobicContact CE1-CB 4.14Å; Y422-Q431 HydrophobicContact CE1-CG 3.9Å; Y422-Q431 HydrophobicContact CE2-CB 3.58Å; Y422-Q431 HydrophobicContact CE2-CG 4.04Å; Y422-Q431 HydrophobicContact CG-CB 4.47Å; Y422-Q431 HydrophobicContact CG-CG 4.06Å
423V86.7Confident89.7Confident30 Ų3061.6 Ų61.618%0.18227%0.267CS..  trans-57.9129.8172.6178.90000110.5Y276 Q280 S425 H428Y276-V423 HydrophobicContact CD1-CG2 3.31Å; Y276-V423 HydrophobicContact CD2-CG2 4.2Å; Y276-V423 HydrophobicContact CE1-CG2 3.82Å; Y276-V423 HydrophobicContact CG-CG2 3.53Å; Q280-V423 PolarHBondContact O-N 2.99Å; V423-S425 PolarHBondContact O-N 3.14Å; V423-H428 PolarHBondContact O-ND1 3.06Å
424R84.4Confident89.8Confident211 Ų21155 Ų5580%0.79624%0.242SC*.SBendtrans-60.1107.9177.3-66.2-172.9179.5-174.10.3111.1Y422Y422-R424 PolarHBondContact O-N 3.18Å
425S84.3Confident90Very high28 Ų2853.7 Ų53.720%0.19623%0.234CC..SBendtrans-161.7147.2176.6-179.20000109.7V423 R427 H428V423-S425 PolarHBondContact O-N 3.14Å; S425-R427 PolarHBondContact O-N 2.81Å; S425-R427 PolarHBondContact OG-N 2.77Å; S425-H428 PolarHBondContact O-N 3.49Å
426P82.3Confident90.3Very high45 Ų4554.8 Ų54.829%0.29224%0.243SC..G310 helixtrans-57.3-18.3172.7-26.335.8000114.4N348 N349 H428 T429N348-P426 VanDerWaalsContact OD1-CG 3.26Å; N348-P426 WeakPolarHBondContact OD1-CG 3.41Å; N349-P426 PolarHBondContact ND2-O 3.01Å; P426-H428 VanDerWaalsContact C-N 3.32Å; P426-T429 PolarHBondContact O-OG1 3.4Å
427R82.1Confident90.6Very high78 Ų7851.9 Ų51.929%0.29423%0.229SC..G310 helixtrans-70.2-24.7174.3-179.7178.4173.6-172.5-2.8113.5F194 T284 Q375 S425 Q431F194-R427 PolarHBondContact O-NH1 3.24Å; F194-R427 VanDerWaalsContact O-NH1 3.15Å; T284-R427 PolarHBondContact OG1-NH2 2.98Å; Q375-R427 PolarHBondContact OE1-O 3.35Å; S425-R427 PolarHBondContact O-N 2.81Å; S425-R427 PolarHBondContact OG-N 2.77Å; R427-Q431 PolarHBondContact O-NE2 2.8Å
428H84.6Confident90.9Very high16 Ų1646.7 Ų46.77%0.07421%0.205CC..G310 helixtrans-10923.8-168.8-53130.5000113.7I418 V423 S425 P426 Q431I418-H428 VanDerWaalsContact CG2-O 3.25Å; I418-H428 WeakPolarHBondContact CG2-O 3.39Å; V423-H428 PolarHBondContact O-ND1 3.06Å; S425-H428 PolarHBondContact O-N 3.49Å; P426-H428 VanDerWaalsContact C-N 3.32Å; H428-Q431 HydrophobicContact CB-CG 4.02Å; H428-Q431 PolarHBondContact CD2-NE2 3.31Å
429T88.6Confident91.2Very high25 Ų2546.6 Ų46.615%0.15320%0.204CC..THydrogen-bonded Turntrans-81.2-20.5-174.654.20000114.6N349 P426N349-T429 HydrophobicContact CB-CG2 4.22Å; N349-T429 WeakPolarHBondContact O-CB 3.44Å; N349-T429 PolarHBondContact O-OG1 3.37Å; P426-T429 PolarHBondContact O-OG1 3.4Å
430V92.2Very high91.6Very high5 Ų543.9 Ų43.93%0.0320%0.197CC..THydrogen-bonded Turntrans-125.238-176.2-64.90000112.4I334 I351 Y356 V374 Q375I334-V430 HydrophobicContact CD1-CG1 4.25Å; I351-V430 HydrophobicContact CG2-CG1 3.87Å; Y356-V430 HydrophobicContact CD1-CB 4.43Å; Y356-V430 HydrophobicContact CD1-CG1 4.22Å; Y356-V430 HydrophobicContact CE1-CB 4.29Å; Y356-V430 HydrophobicContact CE1-CG1 4.18Å; V374-V430 WeakPolarHBondContact CA-O 3.43Å; Q375-V430 HydrophobicContact CB-CG2 4.29Å; Q375-V430 PolarHBondContact N-O 2.92Å
431Q94Very high92Very high7 Ų735 Ų353%0.03316%0.164CC..EExtended strand (participates in β ladder)trans-74.1138.2-178-64.2-66.4-41.500112.2H282 Q375 I418 Y422 R427 H428H282-Q431 PolarHBondContact ND1-OE1 3.07Å; Q375-Q431 WeakPolarHBondContact O-CA 3.36Å; Q375-Q431 PolarHBondContact O-OE1 2.9Å; I418-Q431 HydrophobicContact CD1-CB 4.27Å; I418-Q431 WeakPolarHBondContact CD1-O 3.43Å; Y422-Q431 HydrophobicContact CD1-CG 3.96Å; Y422-Q431 HydrophobicContact CD2-CB 4.02Å; Y422-Q431 HydrophobicContact CD2-CG 4.1Å; Y422-Q431 HydrophobicContact CE1-CB 4.14Å; Y422-Q431 HydrophobicContact CE1-CG 3.9Å; Y422-Q431 HydrophobicContact CE2-CB 3.58Å; Y422-Q431 HydrophobicContact CE2-CG 4.04Å; Y422-Q431 HydrophobicContact CG-CB 4.47Å; Y422-Q431 HydrophobicContact CG-CG 4.06Å; R427-Q431 PolarHBondContact O-NE2 2.8Å; H428-Q431 HydrophobicContact CB-CG 4.02Å; H428-Q431 PolarHBondContact CD2-NE2 3.31Å
432V94.9Very high92.3Very high10 Ų1031.3 Ų31.36%0.06115%0.15CC..EExtended strand (participates in β ladder)trans-137.9146.5170.7-61.10000111.1Y356 V374 Q375 P376 W377 I383 Y437Y356-V432 HydrophobicContact CD2-CG1 3.74Å; Y356-V432 HydrophobicContact CE2-CG1 3.51Å; V374-V432 HydrophobicContact CB-CG1 4.23Å; V374-V432 HydrophobicContact CB-CG2 3.98Å; V374-V432 HydrophobicContact CG1-CG1 4.12Å; V374-V432 HydrophobicContact CG2-CG2 3.93Å; Q375-V432 PolarHBondContact O-N 2.96Å; P376-V432 CarbonylContact C-O 3.51Å; P376-V432 WeakPolarHBondContact CA-O 3.5Å; P376-V432 HydrophobicContact CB-CG2 3.76Å; W377-V432 PolarHBondContact N-O 3.34Å; I383-V432 HydrophobicContact CD1-CG2 4.22Å; V432-Y437 HydrophobicContact CB-CD1 4.17Å; V432-Y437 HydrophobicContact CB-CD2 4.47Å; V432-Y437 HydrophobicContact CB-CG 3.98Å; V432-Y437 HydrophobicContact CG1-CD1 4.23Å; V432-Y437 HydrophobicContact CG1-CD2 4.08Å; V432-Y437 HydrophobicContact CG1-CE1 4.44Å; V432-Y437 HydrophobicContact CG1-CE2 4.32Å; V432-Y437 HydrophobicContact CG1-CG 4.03Å; V432-Y437 HydrophobicContact CG2-CD1 3.89Å; V432-Y437 HydrophobicContact CG2-CE1 4.43Å; V432-Y437 HydrophobicContact CG2-CG 4.21Å
433D94.6Very high92.6Very high33 Ų3338 Ų3818%0.17618%0.179CC..EExtended strand (participates in β ladder)trans-84.1131.1164.7-69.8-41.8000108.9R421 I435 P436 Y437R421-D433 IonicContact CZ-OD1 3.48Å; R421-D433 IonicContact CZ-OD2 3.77Å; R421-D433 IonicContact NH1-OD1 2.64Å; R421-D433 PolarHBondContact NH1-OD1 3.05Å; R421-D433 IonicContact NH1-OD2 3.49Å; R421-D433 PolarHBondContact NH1-OD2 3.18Å; R421-D433 IonicContact NH2-OD1 3.46Å; R421-D433 PolarHBondContact NH2-OD1 3.07Å; R421-D433 IonicContact NH2-OD2 2.67Å; D433-I435 PolarHBondContact O-N 3.42Å; D433-P436 HydrophobicContact CB-CG 3.88Å; D433-P436 WeakPolarHBondContact O-CD 3.39Å; D433-Y437 VanDerWaalsContact O-CB 3.27Å; D433-Y437 WeakPolarHBondContact O-CB 3.43Å; D433-Y437 PolarHBondContact O-N 3.02Å; D433-Y437 VanDerWaalsContact O-N 3.15Å
434Y96.9Very high93.1Very high1 Ų139.2 Ų39.20%0.00418%0.184CC..Hα-helixtrans-54.6-51.4-172.7178.6-87.6000113.4M67 L238 W377 S379 P382 I383 M438 C470M67-Y434 HydrophobicContact CE-CE1 4.42Å; L238-Y434 HydrophobicContact CD1-CG 4.44Å; W377-Y434 VanDerWaalsContact O-CB 3.23Å; W377-Y434 WeakPolarHBondContact O-CB 3.43Å; S379-Y434 WeakPolarHBondContact O-CD2 3.42Å; S379-Y434 WeakPolarHBondContact O-CE2 3.46Å; P382-Y434 HydrophobicContact CB-CE2 4.15Å; P382-Y434 WeakPolarHBondContact CB-OH 3.44Å; P382-Y434 HydrophobicContact CG-CE2 4.12Å; I383-Y434 HydrophobicContact CD1-CD2 3.82Å; I383-Y434 HydrophobicContact CD1-CE2 4.41Å; I383-Y434 HydrophobicContact CG1-CD2 4.08Å; I383-Y434 HydrophobicContact CG1-CE2 4.21Å; Y434-M438 HydrophobicContact CD1-CG 4.33Å; Y434-M438 HydrophobicContact CD2-CG 4.36Å; Y434-M438 HydrophobicContact CE1-CG 4.11Å; Y434-M438 HydrophobicContact CE2-CG 4.16Å; Y434-M438 HydrophobicContact CG-CG 4.44Å; Y434-M438 VanDerWaalsContact O-CB 3.25Å; Y434-M438 WeakPolarHBondContact O-CB 3.43Å; Y434-M438 WeakPolarHBondContact O-CG 2.99Å; Y434-M438 PolarHBondContact O-N 3.23Å; Y434-C470 WeakPolarHBondContact CE1-O 3.15Å
435I97.1Very high93.8Very high3 Ų329.5 Ų29.52%0.01515%0.148CC..Hα-helixtrans-68.3-51.8-174.2-61.2170.4000112.2N239 F243 D433 Y437 M438 D439 C470N239-I435 WeakPolarHBondContact O-CD1 3.48Å; F243-I435 HydrophobicContact CB-CD1 4.05Å; D433-I435 PolarHBondContact O-N 3.42Å; I435-Y437 VanDerWaalsContact C-N 3.3Å; I435-Y437 PolarHBondContact O-N 3.41Å; I435-M438 PolarHBondContact O-N 2.98Å; I435-D439 VanDerWaalsContact O-CB 3.29Å; I435-D439 WeakPolarHBondContact O-CB 3.36Å; I435-D439 PolarHBondContact O-N 3.25Å; I435-C470 HydrophobicContact CD1-CB 3.79Å; I435-C470 HydrophobicContact CG1-CB 3.8Å
436P95.9Very high94.4Very high40 Ų4030.1 Ų30.126%0.2616%0.159SC..Hα-helixtrans-56.5-43.5177.9-30.239.3000113.4F243 D433 D439 Q440F243-P436 HydrophobicContact CD2-CG 3.95Å; F243-P436 HydrophobicContact CE1-CG 3.84Å; F243-P436 HydrophobicContact CE2-CG 3.18Å; F243-P436 HydrophobicContact CZ-CB 4.33Å; F243-P436 HydrophobicContact CZ-CG 3.14Å; D433-P436 HydrophobicContact CB-CG 3.88Å; D433-P436 WeakPolarHBondContact O-CD 3.39Å; P436-D439 PolarHBondContact O-N 3.16Å; P436-Q440 VanDerWaalsContact O-CB 3.29Å; P436-Q440 WeakPolarHBondContact O-CB 3.42Å; P436-Q440 PolarHBondContact O-N 2.83Å
437Y97.8Very high95.2Very high10 Ų1028 Ų284%0.03915%0.145CC..Hα-helixtrans-70.6-44.4-176.2-171.9-120.6000111.7N355 Y356 V374 I383 Q387 V432 D433 I435 D439 Q440 L441N355-Y437 PolarHBondContact O-OH 2.95Å; Y356-Y437 HydrophobicContact CD2-CE2 4.17Å; V374-Y437 HydrophobicContact CG1-CE1 4.34Å; V374-Y437 HydrophobicContact CG2-CE1 4.21Å; I383-Y437 HydrophobicContact CD1-CD1 4.25Å; I383-Y437 HydrophobicContact CG1-CD1 4.28Å; I383-Y437 HydrophobicContact CG2-CD1 3.8Å; I383-Y437 HydrophobicContact CG2-CE1 3.44Å; I383-Y437 VanDerWaalsContact CG2-CE1 3.44Å; Q387-Y437 PolarHBondContact NE2-OH 3.1Å; V432-Y437 HydrophobicContact CB-CD1 4.17Å; V432-Y437 HydrophobicContact CB-CD2 4.47Å; V432-Y437 HydrophobicContact CB-CG 3.98Å; V432-Y437 HydrophobicContact CG1-CD1 4.23Å; V432-Y437 HydrophobicContact CG1-CD2 4.08Å; V432-Y437 HydrophobicContact CG1-CE1 4.44Å; V432-Y437 HydrophobicContact CG1-CE2 4.32Å; V432-Y437 HydrophobicContact CG1-CG 4.03Å; V432-Y437 HydrophobicContact CG2-CD1 3.89Å; V432-Y437 HydrophobicContact CG2-CE1 4.43Å; V432-Y437 HydrophobicContact CG2-CG 4.21Å; D433-Y437 VanDerWaalsContact O-CB 3.27Å; D433-Y437 WeakPolarHBondContact O-CB 3.43Å; D433-Y437 PolarHBondContact O-N 3.02Å; D433-Y437 VanDerWaalsContact O-N 3.15Å; I435-Y437 VanDerWaalsContact C-N 3.3Å; I435-Y437 PolarHBondContact O-N 3.41Å; Y437-D439 VanDerWaalsContact C-N 3.33Å; Y437-D439 PolarHBondContact O-N 3.26Å; Y437-Q440 PolarHBondContact O-N 2.76Å; Y437-L441 HydrophobicContact CD1-CD1 4.22Å; Y437-L441 HydrophobicContact CE1-CD1 3.75Å; Y437-L441 HydrophobicContact CE2-CD1 4.27Å; Y437-L441 HydrophobicContact CE2-CD2 4.44Å; Y437-L441 HydrophobicContact CE2-CG 4.28Å; Y437-L441 WeakPolarHBondContact O-CG 3.26Å; Y437-L441 PolarHBondContact O-N 2.92Å
438M98.5Very high95.9Very high3 Ų328.2 Ų28.22%0.01515%0.148CC..Hα-helixtrans-61.6-40.4173.1-70.9-70-70.400112.1P382 I383 M386 Y434 I435 S442 Y475P382-M438 HydrophobicContact CB-CE 4.21Å; I383-M438 HydrophobicContact CB-SD 4.24Å; I383-M438 HydrophobicContact CG1-CG 3.98Å; I383-M438 HydrophobicContact CG1-SD 3.6Å; I383-M438 VanDerWaalsContact CG1-SD 3.6Å; M386-M438 HydrophobicContact CB-CE 3.87Å; M386-M438 HydrophobicContact CB-SD 3.72Å; M386-M438 HydrophobicContact CE-CE 4.08Å; M386-M438 HydrophobicContact CG-CE 4.31Å; M386-M438 HydrophobicContact CG-SD 4.15Å; Y434-M438 HydrophobicContact CD1-CG 4.33Å; Y434-M438 HydrophobicContact CD2-CG 4.36Å; Y434-M438 HydrophobicContact CE1-CG 4.11Å; Y434-M438 HydrophobicContact CE2-CG 4.16Å; Y434-M438 HydrophobicContact CG-CG 4.44Å; Y434-M438 VanDerWaalsContact O-CB 3.25Å; Y434-M438 WeakPolarHBondContact O-CB 3.43Å; Y434-M438 WeakPolarHBondContact O-CG 2.99Å; Y434-M438 PolarHBondContact O-N 3.23Å; I435-M438 PolarHBondContact O-N 2.98Å; M438-S442 WeakPolarHBondContact O-CB 3.47Å; M438-S442 PolarHBondContact O-N 3.17Å; M438-S442 PolarHBondContact O-OG 2.59Å; M438-Y475 HydrophobicContact CB-CE1 3.88Å; M438-Y475 HydrophobicContact CB-CE2 3.97Å; M438-Y475 VanDerWaalsContact CB-CZ 3.42Å; M438-Y475 WeakPolarHBondContact CB-OH 3.35Å; M438-Y475 HydrophobicContact CE-CD2 3.55Å; M438-Y475 HydrophobicContact CE-CE2 3.6Å; M438-Y475 HydrophobicContact CE-CG 4.1Å; M438-Y475 HydrophobicContact CG-CE2 4.41Å
439D98.1Very high96.5Very high17 Ų1727.5 Ų27.59%0.09115%0.145CC..Hα-helixtrans-65.2-39.1175-87.17.5000112.6R240 I435 P436 Y437 S442 K443 K448 Y475R240-D439 IonicContact CZ-OD1 2.63Å; R240-D439 IonicContact CZ-OD2 2.96Å; R240-D439 VanDerWaalsContact NH1-CG 3.3Å; R240-D439 IonicContact NH1-OD1 2.88Å; R240-D439 PolarHBondContact NH1-OD1 3.49Å; R240-D439 VanDerWaalsContact NH1-OD1 3.11Å; R240-D439 IonicContact NH1-OD2 3.16Å; R240-D439 PolarHBondContact NH1-OD2 2.96Å; R240-D439 IonicContact NH2-OD1 3.02Å; R240-D439 PolarHBondContact NH2-OD1 2.82Å; R240-D439 IonicContact NH2-OD2 3.21Å; I435-D439 VanDerWaalsContact O-CB 3.29Å; I435-D439 WeakPolarHBondContact O-CB 3.36Å; I435-D439 PolarHBondContact O-N 3.25Å; P436-D439 PolarHBondContact O-N 3.16Å; Y437-D439 VanDerWaalsContact C-N 3.33Å; Y437-D439 PolarHBondContact O-N 3.26Å; D439-S442 WeakPolarHBondContact CA-OG 3.33Å; D439-S442 PolarHBondContact O-OG 2.84Å; D439-K443 VanDerWaalsContact O-CB 3.27Å; D439-K443 WeakPolarHBondContact O-CB 3.42Å; D439-K443 PolarHBondContact O-N 2.82Å; D439-K448 HydrophobicContact CB-CD 4.06Å; D439-K448 HydrophobicContact CB-CG 4.46Å; D439-K448 VanDerWaalsContact CG-CE 3.49Å; D439-K448 WeakPolarHBondContact OD2-CE 3.15Å; D439-K448 IonicContact OD2-NZ 2.92Å; D439-K448 PolarHBondContact OD2-NZ 3.09Å; D439-K448 VanDerWaalsContact OD2-NZ 3.11Å; D439-Y475 PolarHBondContact OD1-OH 3.31Å
440Q97.4Very high96.7Very high78 Ų7829.8 Ų29.836%0.36416%0.156SC..Hα-helixtrans-63.6-51.3177.6173.5171.9-4.800110.6N355 P436 Y437 K443N355-Q440 PolarHBondContact OD1-NE2 3.01Å; P436-Q440 VanDerWaalsContact O-CB 3.29Å; P436-Q440 WeakPolarHBondContact O-CB 3.42Å; P436-Q440 PolarHBondContact O-N 2.83Å; Y437-Q440 PolarHBondContact O-N 2.76Å; Q440-K443 PolarHBondContact O-N 2.58Å
441L98.5Very high96.7Very high0 Ų030.5 Ų30.50%016%0.161CC..Hα-helixtrans-65.6-47.6178.6-67.1-176.5000112.1N355 M357 M386 Q387 V390 Y437 K443 I444N355-L441 HydrophobicContact CB-CD2 4.06Å; M357-L441 HydrophobicContact SD-CD2 4.12Å; M386-L441 HydrophobicContact CB-CD1 4.5Å; M386-L441 HydrophobicContact CG-CB 3.57Å; M386-L441 HydrophobicContact CG-CD1 4.06Å; M386-L441 HydrophobicContact SD-CB 4.44Å; Q387-L441 HydrophobicContact CG-CD1 3.67Å; V390-L441 HydrophobicContact CG2-CB 3.89Å; V390-L441 HydrophobicContact CG2-CD2 4.32Å; V390-L441 WeakPolarHBondContact CG2-O 3.06Å; Y437-L441 HydrophobicContact CD1-CD1 4.22Å; Y437-L441 HydrophobicContact CE1-CD1 3.75Å; Y437-L441 HydrophobicContact CE2-CD1 4.27Å; Y437-L441 HydrophobicContact CE2-CD2 4.44Å; Y437-L441 HydrophobicContact CE2-CG 4.28Å; Y437-L441 WeakPolarHBondContact O-CG 3.26Å; Y437-L441 PolarHBondContact O-N 2.92Å; L441-K443 PolarHBondContact O-N 3.48Å; L441-I444 HydrophobicContact CD2-CD1 4.34Å; L441-I444 VanDerWaalsContact O-CB 3.31Å; L441-I444 WeakPolarHBondContact O-CB 3.46Å; L441-I444 PolarHBondContact O-N 3.02Å
442S98.4Very high96.7Very high0 Ų040 Ų400%020%0.196CC..Hα-helixtrans-65.7-23.7-179.461.40000113.3M438 D439 I444 I445 G446 A447 K448 Y475M438-S442 WeakPolarHBondContact O-CB 3.47Å; M438-S442 PolarHBondContact O-N 3.17Å; M438-S442 PolarHBondContact O-OG 2.59Å; D439-S442 WeakPolarHBondContact CA-OG 3.33Å; D439-S442 PolarHBondContact O-OG 2.84Å; S442-I444 VanDerWaalsContact C-N 3.33Å; S442-I445 WeakPolarHBondContact O-CG1 3.44Å; S442-I445 PolarHBondContact O-N 2.8Å; S442-G446 PolarHBondContact O-N 3.43Å; S442-G446 VanDerWaalsContact O-N 3.09Å; S442-A447 PolarHBondContact O-N 3.28Å; S442-K448 PolarHBondContact O-N 3.37Å; S442-K448 WeakPolarHBondContact OG-CA 3.28Å; S442-K448 WeakPolarHBondContact OG-CB 3.35Å; S442-Y475 WeakPolarHBondContact OG-CD1 3.06Å; S442-Y475 WeakPolarHBondContact OG-CE1 3.18Å
443K97.8Very high96.7Very high159 Ų15945.1 Ų45.169%0.69122%0.219SC*.Hα-helixtrans-65.5-36.2172.4-172.9-177.5178.4-169.20112D439 Q440 L441 I445 G446D439-K443 VanDerWaalsContact O-CB 3.27Å; D439-K443 WeakPolarHBondContact O-CB 3.42Å; D439-K443 PolarHBondContact O-N 2.82Å; Q440-K443 PolarHBondContact O-N 2.58Å; L441-K443 PolarHBondContact O-N 3.48Å; K443-I445 PolarHBondContact O-N 3.06Å; K443-G446 PolarHBondContact O-N 2.94Å; K443-G446 VanDerWaalsContact O-N 3.13Å
444I97.7Very high96.7Very high55 Ų5544.9 Ų44.928%0.28222%0.216SC..Hα-helixtrans-57.2-40178.4-59.9170.9000110.3V390 L441 S442V390-I444 HydrophobicContact CG1-CD1 4.03Å; V390-I444 HydrophobicContact CG1-CG2 4.26Å; V390-I444 HydrophobicContact CG2-CB 4.49Å; V390-I444 HydrophobicContact CG2-CD1 4.49Å; L441-I444 HydrophobicContact CD2-CD1 4.34Å; L441-I444 VanDerWaalsContact O-CB 3.31Å; L441-I444 WeakPolarHBondContact O-CB 3.46Å; L441-I444 PolarHBondContact O-N 3.02Å; S442-I444 VanDerWaalsContact C-N 3.33Å
445I97.7Very high96.5Very high6 Ų646.2 Ų46.23%0.03123%0.227CC..THydrogen-bonded Turntrans-98.26.1-17969.3172.9000113.5M386 R389 V390 H393 S442 K443 A447 P480M386-I445 HydrophobicContact SD-CD1 3.94Å; R389-I445 HydrophobicContact CB-CD1 3.89Å; V390-I445 HydrophobicContact CG2-CG2 4.04Å; H393-I445 HydrophobicContact CB-CG2 3.54Å; S442-I445 WeakPolarHBondContact O-CG1 3.44Å; S442-I445 PolarHBondContact O-N 2.8Å; K443-I445 PolarHBondContact O-N 3.06Å; I445-A447 VanDerWaalsContact C-N 3.27Å; I445-A447 HydrophobicContact CD1-CB 3.76Å; I445-A447 HydrophobicContact CG1-CB 3.67Å; I445-A447 PolarHBondContact O-N 3.26Å; I445-P480 WeakPolarHBondContact O-CD 3.42Å
446G97.5Very high96.4Very high41 Ų4155.7 Ų55.742%0.42327%0.269SS..THydrogen-bonded Turntrans68.416.2-177.600000116.1S442 K443 Q478S442-G446 PolarHBondContact O-N 3.43Å; S442-G446 VanDerWaalsContact O-N 3.09Å; K443-G446 PolarHBondContact O-N 2.94Å; K443-G446 VanDerWaalsContact O-N 3.13Å; G446-Q478 PolarHBondContact O-NE2 2.96Å
447A98.1Very high96.4Very high0 Ų058.2 Ų58.20%029%0.288CS..  trans-96.95.6-178.900000114.2S442 I445 P449S442-A447 PolarHBondContact O-N 3.28Å; I445-A447 VanDerWaalsContact C-N 3.27Å; I445-A447 HydrophobicContact CD1-CB 3.76Å; I445-A447 HydrophobicContact CG1-CB 3.67Å; I445-A447 PolarHBondContact O-N 3.26Å; A447-P449 WeakPolarHBondContact O-CD 3.48Å
448K98Very high96.4Very high84 Ų8458.9 Ų58.937%0.36529%0.292SS..  trans-64.8120.6177.9178.2176.7172.81610110.4D439 S442 Q478D439-K448 HydrophobicContact CB-CD 4.06Å; D439-K448 HydrophobicContact CB-CG 4.46Å; D439-K448 VanDerWaalsContact CG-CE 3.49Å; D439-K448 WeakPolarHBondContact OD2-CE 3.15Å; D439-K448 IonicContact OD2-NZ 2.92Å; D439-K448 PolarHBondContact OD2-NZ 3.09Å; D439-K448 VanDerWaalsContact OD2-NZ 3.11Å; S442-K448 PolarHBondContact O-N 3.37Å; S442-K448 WeakPolarHBondContact OG-CA 3.28Å; S442-K448 WeakPolarHBondContact OG-CB 3.35Å; K448-Q478 PolarHBondContact O-NE2 3.27Å
449P96Very high96.3Very high1 Ų162.7 Ų62.71%0.00632%0.317CS..  trans-68.513617829.9-36.2000110.8R240 A447 I465 Q474 Y475 L477R240-P449 VanDerWaalsContact NH2-CG 3.29Å; A447-P449 WeakPolarHBondContact O-CD 3.48Å; P449-I465 HydrophobicContact CB-CG2 4.21Å; P449-Q474 HydrophobicContact CB-CB 4.14Å; P449-Q474 HydrophobicContact CG-CB 3.93Å; P449-Y475 HydrophobicContact CG-CD1 4.32Å; P449-Y475 HydrophobicContact CG-CE1 4.19Å; P449-L477 HydrophobicContact CB-CD1 4.46Å
450N94.1Very high96.2Very high72 Ų7266 Ų6639%0.38533%0.334SS..  trans-121.4110.4176.8-178.21.8000110.5W452 H453 Y454N450-W452 PolarHBondContact O-N 3.02Å; N450-W452 WeakPolarHBondContact OD1-CB 3.32Å; N450-W452 PolarHBondContact OD1-N 2.97Å; N450-W452 VanDerWaalsContact OD1-N 3.09Å; N450-H453 HydrophobicContact CB-CB 4Å; N450-H453 VanDerWaalsContact O-CB 3.31Å; N450-H453 WeakPolarHBondContact O-CB 3.33Å; N450-H453 PolarHBondContact O-N 3.05Å; N450-H453 VanDerWaalsContact O-N 3.11Å; N450-Y454 VanDerWaalsContact O-CD2 3.28Å; N450-Y454 WeakPolarHBondContact O-CD2 3.33Å
451P92.7Very high96.2Very high20 Ų2062.5 Ų62.513%0.1332%0.318CS..Hα-helixtrans-60.3-32.4-179.424.3-32.4000112.6H453 Y454 A455 A462 I465 F466P451-H453 VanDerWaalsContact C-N 3.29Å; P451-H453 PolarHBondContact O-N 3.47Å; P451-Y454 PolarHBondContact O-N 3.47Å; P451-Y454 VanDerWaalsContact O-N 3.15Å; P451-A455 PolarHBondContact O-N 3.48Å; P451-A462 VanDerWaalsContact O-CB 3.27Å; P451-A462 WeakPolarHBondContact O-CB 3.3Å; P451-I465 HydrophobicContact CB-CB 4.17Å; P451-I465 HydrophobicContact CB-CG2 3.91Å; P451-I465 HydrophobicContact CG-CG2 4.18Å; P451-F466 HydrophobicContact CB-CB 4.26Å
452W94.1Very high96.1Very high207 Ų20763 Ų6378%0.78432%0.322SS*.Hα-helixtrans-67.5-29.6178.9-59.8112.4000113.3N450 Y454 A455N450-W452 PolarHBondContact O-N 3.02Å; N450-W452 WeakPolarHBondContact OD1-CB 3.32Å; N450-W452 PolarHBondContact OD1-N 2.97Å; N450-W452 VanDerWaalsContact OD1-N 3.09Å; W452-Y454 PolarHBondContact O-N 3.12Å; W452-A455 HydrophobicContact CE3-CB 4.4Å; W452-A455 PolarHBondContact O-N 2.85Å
453H93.1Very high95.9Very high117 Ų11767.4 Ų67.454%0.54234%0.341SS..Hα-helixtrans-63.1-31.5174.9-178.573.4000111.7N450 P451N450-H453 HydrophobicContact CB-CB 4Å; N450-H453 VanDerWaalsContact O-CB 3.31Å; N450-H453 WeakPolarHBondContact O-CB 3.33Å; N450-H453 PolarHBondContact O-N 3.05Å; N450-H453 VanDerWaalsContact O-N 3.11Å; P451-H453 VanDerWaalsContact C-N 3.29Å; P451-H453 PolarHBondContact O-N 3.47Å
454Y94.8Very high95.8Very high28 Ų2861.7 Ų61.711%0.1132%0.315CS..Hα-helixtrans-99.6-5.3-179.5-59.9-76.1000113.7N450 P451 W452 F456 S457 D458 L461 I465N450-Y454 VanDerWaalsContact O-CD2 3.28Å; N450-Y454 WeakPolarHBondContact O-CD2 3.33Å; P451-Y454 PolarHBondContact O-N 3.47Å; P451-Y454 VanDerWaalsContact O-N 3.15Å; W452-Y454 PolarHBondContact O-N 3.12Å; Y454-F456 PolarHBondContact O-N 3.34Å; Y454-F456 VanDerWaalsContact O-N 3.08Å; Y454-S457 PolarHBondContact O-N 3.33Å; Y454-D458 CarbonylContact O-C 3.57Å; Y454-D458 WeakPolarHBondContact O-CA 3.4Å; Y454-D458 PolarHBondContact O-N 2.94Å; Y454-D458 VanDerWaalsContact O-O 3.09Å; Y454-L461 HydrophobicContact CD1-CD2 3.76Å; Y454-L461 HydrophobicContact CD2-CD2 4.35Å; Y454-L461 HydrophobicContact CE1-CD2 3.95Å; Y454-L461 HydrophobicContact CG-CD2 3.97Å; Y454-L461 HydrophobicContact CG-CG 4.48Å; Y454-I465 HydrophobicContact CD2-CD1 3.52Å; Y454-I465 HydrophobicContact CE2-CD1 3.86Å; Y454-I465 HydrophobicContact CG-CD1 4.39Å
455A94Very high95.7Very high29 Ų2959 Ų5924%0.2430%0.302CS..THydrogen-bonded Turntrans-57.1-34.1-168.400000114P451 W452P451-A455 PolarHBondContact O-N 3.48Å; W452-A455 HydrophobicContact CE3-CB 4.4Å; W452-A455 PolarHBondContact O-N 2.85Å
456F94.7Very high95.5Very high202 Ų20262 Ų6289%0.88631%0.314SS*.THydrogen-bonded Turntrans-100.5-35.5-180-59.5-73.3000113.4Y454Y454-F456 PolarHBondContact O-N 3.34Å; Y454-F456 VanDerWaalsContact O-N 3.08Å
457S96.3Very high95.2Very high94 Ų9463 Ų6366%0.65731%0.31SS*.THydrogen-bonded Turntrans-80-32.1-178.253.50000112.9Y454Y454-S457 PolarHBondContact O-N 3.33Å
458D97.2Very high94.9Very high24 Ų2463.1 Ų63.113%0.12831%0.311CS..  trans-152.372.5-178.6-168.4-8.6000111.1Y454 L460 L461 A462 R487Y454-D458 CarbonylContact O-C 3.57Å; Y454-D458 WeakPolarHBondContact O-CA 3.4Å; Y454-D458 PolarHBondContact O-N 2.94Å; Y454-D458 VanDerWaalsContact O-O 3.09Å; D458-L460 PolarHBondContact O-N 3.48Å; D458-L460 VanDerWaalsContact O-N 3.13Å; D458-L461 HydrophobicContact CB-CB 4Å; D458-L461 PolarHBondContact O-N 3Å; D458-L461 PolarHBondContact OD1-N 2.84Å; D458-L461 VanDerWaalsContact OD1-N 3.14Å; D458-L461 WeakPolarHBondContact OD2-CB 3.49Å; D458-A462 PolarHBondContact O-N 3.48Å; D458-R487 VanDerWaalsContact CG-NH2 3.25Å; D458-R487 IonicContact OD1-CZ 3.53Å; D458-R487 IonicContact OD1-NH2 3.51Å; D458-R487 PolarHBondContact OD1-NH2 2.84Å; D458-R487 IonicContact OD2-CZ 3.58Å; D458-R487 IonicContact OD2-NE 3.99Å; D458-R487 PolarHBondContact OD2-NE 2.88Å; D458-R487 IonicContact OD2-NH2 2.9Å; D458-R487 PolarHBondContact OD2-NH2 2.87Å
459P96Very high94.8Very high82 Ų8259.3 Ų59.353%0.53230%0.295SS..Hα-helixtrans-58.7-29.2-175.920.9-33.1000113.1F463P459-F463 WeakPolarHBondContact O-CB 3.32Å; P459-F463 PolarHBondContact O-N 3Å
460L95.6Very high94.9Very high87 Ų8759.2 Ų59.246%0.45529%0.294SS..Hα-helixtrans-66.3-48.8175.6-176.763.2000110.8D458 A462 F463 Y464 V491D458-L460 PolarHBondContact O-N 3.48Å; D458-L460 VanDerWaalsContact O-N 3.13Å; L460-A462 VanDerWaalsContact C-N 3.35Å; L460-F463 WeakPolarHBondContact O-CB 3.25Å; L460-F463 PolarHBondContact O-N 2.75Å; L460-Y464 HydrophobicContact CD1-CD2 4.03Å; L460-Y464 HydrophobicContact CD1-CE2 3.75Å; L460-Y464 HydrophobicContact CG-CD2 4.22Å; L460-Y464 HydrophobicContact CG-CE2 4.25Å; L460-Y464 WeakPolarHBondContact O-CD2 3.17Å; L460-Y464 PolarHBondContact O-N 2.89Å; L460-Y464 VanDerWaalsContact O-N 3.08Å; L460-V491 HydrophobicContact CD2-CG1 3.7Å; L460-V491 HydrophobicContact CG-CG1 4.14Å
461L97.3Very high95.1Very high4 Ų455.9 Ų55.92%0.02128%0.276CS..Hα-helixtrans-62.2-43.4175.8179.163.1000111.5Y454 D458 F463 Y464 I465 L477 R487 V490 V491Y454-L461 HydrophobicContact CD1-CD2 3.76Å; Y454-L461 HydrophobicContact CD2-CD2 4.35Å; Y454-L461 HydrophobicContact CE1-CD2 3.95Å; Y454-L461 HydrophobicContact CG-CD2 3.97Å; Y454-L461 HydrophobicContact CG-CG 4.48Å; D458-L461 HydrophobicContact CB-CB 4Å; D458-L461 PolarHBondContact O-N 3Å; D458-L461 PolarHBondContact OD1-N 2.84Å; D458-L461 VanDerWaalsContact OD1-N 3.14Å; D458-L461 WeakPolarHBondContact OD2-CB 3.49Å; L461-F463 VanDerWaalsContact C-N 3.29Å; L461-F463 PolarHBondContact O-N 2.91Å; L461-Y464 PolarHBondContact O-N 2.66Å; L461-Y464 VanDerWaalsContact O-N 3.1Å; L461-I465 HydrophobicContact CD1-CD1 4.28Å; L461-I465 HydrophobicContact CD1-CG1 4.28Å; L461-I465 HydrophobicContact CD2-CD1 4.48Å; L461-I465 HydrophobicContact CG-CD1 3.89Å; L461-I465 HydrophobicContact CG-CG1 4.35Å; L461-I465 WeakPolarHBondContact O-CG1 3.01Å; L461-I465 PolarHBondContact O-N 2.99Å; L461-L477 HydrophobicContact CD1-CD1 4.15Å; L461-L477 HydrophobicContact CD1-CD2 4.23Å; L461-L477 HydrophobicContact CD2-CD1 4.32Å; L461-L477 HydrophobicContact CD2-CD2 4.09Å; L461-R487 HydrophobicContact CD1-CG 4.34Å; L461-R487 HydrophobicContact CD2-CG 4.24Å; L461-V490 HydrophobicContact CD1-CB 4.12Å; L461-V490 HydrophobicContact CD1-CG1 3.75Å; L461-V491 HydrophobicContact CD1-CG2 4.28Å
462A96.7Very high95.4Very high10 Ų1054.9 Ų54.98%0.08327%0.27CS..Hα-helixtrans-56-44.2176.100000112.1P451 D458 L460 I465 F466P451-A462 VanDerWaalsContact O-CB 3.27Å; P451-A462 WeakPolarHBondContact O-CB 3.3Å; D458-A462 PolarHBondContact O-N 3.48Å; L460-A462 VanDerWaalsContact C-N 3.35Å; A462-I465 PolarHBondContact O-N 2.97Å; A462-F466 PolarHBondContact O-N 3.18Å; A462-F466 VanDerWaalsContact O-N 3.11Å
463F94.3Very high95.6Very high94 Ų9445 Ų4541%0.41223%0.233SC..Hα-helixtrans-58.4-47.1174.1175.3-84.9000111.8P459 L460 L461 F466 L467P459-F463 WeakPolarHBondContact O-CB 3.32Å; P459-F463 PolarHBondContact O-N 3Å; L460-F463 WeakPolarHBondContact O-CB 3.25Å; L460-F463 PolarHBondContact O-N 2.75Å; L461-F463 VanDerWaalsContact C-N 3.29Å; L461-F463 PolarHBondContact O-N 2.91Å; F463-F466 PolarHBondContact O-N 2.78Å; F463-L467 HydrophobicContact CD2-CD1 3.69Å; F463-L467 HydrophobicContact CE1-CB 4.38Å; F463-L467 HydrophobicContact CE2-CB 4.5Å; F463-L467 HydrophobicContact CE2-CD1 3.26Å; F463-L467 HydrophobicContact CE2-CG 4.42Å; F463-L467 HydrophobicContact CG-CD1 4.49Å; F463-L467 HydrophobicContact CZ-CB 4.26Å; F463-L467 HydrophobicContact CZ-CD1 3.73Å; F463-L467 PolarHBondContact O-N 3.42Å
464Y95.4Very high95.9Very high38 Ų3839.5 Ų39.515%0.14921%0.207CC..Hα-helixtrans-69-33.4179.6-88.3-85.4000113.6L460 L461 F466 G468 V491 V493 W494L460-Y464 HydrophobicContact CD1-CD2 4.03Å; L460-Y464 HydrophobicContact CD1-CE2 3.75Å; L460-Y464 HydrophobicContact CG-CD2 4.22Å; L460-Y464 HydrophobicContact CG-CE2 4.25Å; L460-Y464 WeakPolarHBondContact O-CD2 3.17Å; L460-Y464 PolarHBondContact O-N 2.89Å; L460-Y464 VanDerWaalsContact O-N 3.08Å; L461-Y464 PolarHBondContact O-N 2.66Å; L461-Y464 VanDerWaalsContact O-N 3.1Å; Y464-F466 VanDerWaalsContact C-N 3.27Å; Y464-F466 PolarHBondContact O-N 2.94Å; Y464-G468 WeakPolarHBondContact O-CA 3.39Å; Y464-G468 PolarHBondContact O-N 3.42Å; Y464-V491 HydrophobicContact CD2-CG1 4.39Å; Y464-V491 HydrophobicContact CD2-CG2 4.32Å; Y464-V491 HydrophobicContact CE2-CG1 4.13Å; Y464-V493 HydrophobicContact CD1-CG1 4.33Å; Y464-V493 HydrophobicContact CE1-CG1 4.2Å; Y464-W494 AromaticContact CE1-CD1 3.45Å; Y464-W494 VanDerWaalsContact CE1-CD1 3.45Å; Y464-W494 AromaticContact CE1-NE1 3.63Å
465I95.9Very high96Very high0 Ų038.1 Ų38.10%020%0.202CC..Hα-helixtrans-62.8-39.1172.7-68.5166.6000110.3R240 P449 P451 Y454 L461 A462 L477R240-I465 WeakPolarHBondContact CD-O 3.38Å; R240-I465 WeakPolarHBondContact CG-O 3.4Å; P449-I465 HydrophobicContact CB-CG2 4.21Å; P451-I465 HydrophobicContact CB-CB 4.17Å; P451-I465 HydrophobicContact CB-CG2 3.91Å; P451-I465 HydrophobicContact CG-CG2 4.18Å; Y454-I465 HydrophobicContact CD2-CD1 3.52Å; Y454-I465 HydrophobicContact CE2-CD1 3.86Å; Y454-I465 HydrophobicContact CG-CD1 4.39Å; L461-I465 HydrophobicContact CD1-CD1 4.28Å; L461-I465 HydrophobicContact CD1-CG1 4.28Å; L461-I465 HydrophobicContact CD2-CD1 4.48Å; L461-I465 HydrophobicContact CG-CD1 3.89Å; L461-I465 HydrophobicContact CG-CG1 4.35Å; L461-I465 WeakPolarHBondContact O-CG1 3.01Å; L461-I465 PolarHBondContact O-N 2.99Å; A462-I465 PolarHBondContact O-N 2.97Å; I465-L477 HydrophobicContact CD1-CD1 3.76Å; I465-L477 HydrophobicContact CG1-CD1 4.1Å
466F93.5Very high96.2Very high67 Ų6736.9 Ų36.929%0.29419%0.191SC..Hα-helixtrans-84.6-49-175.1-171.7-118.3000114.1R240 L241 M244 P451 A462 F463 Y464R240-F466 HydrophobicContact CB-CD2 4.1Å; R240-F466 HydrophobicContact CB-CE2 4.49Å; R240-F466 WeakPolarHBondContact CB-O 3.47Å; R240-F466 PolarHBondContact N-O 3.26Å; L241-F466 HydrophobicContact CB-CE1 4.42Å; L241-F466 HydrophobicContact CB-CZ 4.37Å; L241-F466 HydrophobicContact CD1-CE1 4.45Å; L241-F466 HydrophobicContact CD1-CZ 4.28Å; L241-F466 PolarHBondContact N-O 3.15Å; M244-F466 HydrophobicContact CE-CE2 3.7Å; M244-F466 HydrophobicContact CE-CZ 3.9Å; P451-F466 HydrophobicContact CB-CB 4.26Å; A462-F466 PolarHBondContact O-N 3.18Å; A462-F466 VanDerWaalsContact O-N 3.11Å; F463-F466 PolarHBondContact O-N 2.78Å; Y464-F466 VanDerWaalsContact C-N 3.27Å; Y464-F466 PolarHBondContact O-N 2.94Å
467L91.1Very high96.4Very high64 Ų6428.6 Ų28.634%0.33516%0.156SC..Hα-helixtrans-106.2-19.6-172.9-65172.8000113.7L241 F463L241-L467 HydrophobicContact CB-CD2 3.76Å; L241-L467 HydrophobicContact CD2-CD2 3.42Å; L241-L467 VanDerWaalsContact CD2-CD2 3.42Å; L241-L467 HydrophobicContact CG-CD2 4.15Å; F463-L467 HydrophobicContact CD2-CD1 3.69Å; F463-L467 HydrophobicContact CE1-CB 4.38Å; F463-L467 HydrophobicContact CE2-CB 4.5Å; F463-L467 HydrophobicContact CE2-CD1 3.26Å; F463-L467 HydrophobicContact CE2-CG 4.42Å; F463-L467 HydrophobicContact CG-CD1 4.49Å; F463-L467 HydrophobicContact CZ-CB 4.26Å; F463-L467 HydrophobicContact CZ-CD1 3.73Å; F463-L467 PolarHBondContact O-N 3.42Å
468G93.2Very high96.4Very high2 Ų226.7 Ų26.72%0.02114%0.136CC..SBendtrans-76.2168.9175.800000112.3N239 Y464 C470N239-G468 WeakPolarHBondContact CB-O 3.26Å; Y464-G468 WeakPolarHBondContact O-CA 3.39Å; Y464-G468 PolarHBondContact O-N 3.42Å; G468-C470 PolarHBondContact O-N 2.91Å
469P95.7Very high96.4Very high3 Ų327.1 Ų27.12%0.01915%0.146CC..  trans-57.1136.6173.7-17.830.9000109.9M67 V235 T471 Q474 V493 W494M67-P469 HydrophobicContact SD-CB 3.84Å; V235-P469 HydrophobicContact CB-CB 4.01Å; V235-P469 HydrophobicContact CB-CG 3.87Å; V235-P469 HydrophobicContact CG1-CB 4.48Å; P469-T471 HydrophobicContact CB-CG2 4.19Å; P469-T471 PolarHBondContact O-N 3.05Å; P469-Q474 PolarHBondContact O-NE2 3.43Å; P469-V493 HydrophobicContact CG-CG1 4.23Å; P469-V493 HydrophobicContact CG-CG2 4.48Å; P469-W494 HydrophobicContact CG-CH2 3.77Å; P469-W494 HydrophobicContact CG-CZ2 3.69Å; P469-W494 HydrophobicContact CG-CZ3 4.37Å
470C97.2Very high96.4Very high0 Ų025 Ų250%013%0.133CC..  trans-76.366.6178.3-163.50000110.4M67 L238 Y434 I435 G468 Y475M67-C470 WeakPolarHBondContact CE-O 3.33Å; L238-C470 VanDerWaalsContact O-CB 3.3Å; L238-C470 WeakPolarHBondContact O-CB 3.42Å; L238-C470 PolarHBondContact O-N 3.03Å; Y434-C470 WeakPolarHBondContact CE1-O 3.15Å; I435-C470 HydrophobicContact CD1-CB 3.79Å; I435-C470 HydrophobicContact CG1-CB 3.8Å; G468-C470 PolarHBondContact O-N 2.91Å; C470-Y475 PolarHBondContact SG-OH 3.28Å
471T98.4Very high96.5Very high1 Ų123.9 Ų23.91%0.00613%0.125CC..  trans-67.2150.2-177.856.30000111.4E66 M67 P469 Y473 Q474 V493E66-T471 HydrophobicContact CB-CG2 4.36Å; M67-T471 HydrophobicContact SD-CG2 4.15Å; P469-T471 HydrophobicContact CB-CG2 4.19Å; P469-T471 PolarHBondContact O-N 3.05Å; T471-Y473 HydrophobicContact CG2-CD2 4.11Å; T471-Y473 HydrophobicContact CG2-CE2 4.17Å; T471-Y473 PolarHBondContact O-N 3.31Å; T471-Y473 WeakPolarHBondContact OG1-CD2 3.23Å; T471-Q474 WeakPolarHBondContact O-CB 3.49Å; T471-Q474 WeakPolarHBondContact O-CG 3.24Å; T471-Q474 PolarHBondContact O-N 3.42Å; T471-V493 HydrophobicContact CG2-CG2 3.7Å
472P98.6Very high96.5Very high0 Ų027 Ų270%015%0.147CC..G310 helixtrans-49.9-33.7173.3-29.638.8000113.9E66 A69 S71 P382 Q474 Y475E66-P472 WeakPolarHBondContact O-CD 3.18Å; A69-P472 WeakPolarHBondContact O-CB 3.02Å; A69-P472 WeakPolarHBondContact O-CG 3.28Å; S71-P472 VanDerWaalsContact CB-O 3.28Å; S71-P472 WeakPolarHBondContact CB-O 3.22Å; P382-P472 HydrophobicContact CB-CB 3.87Å; P382-P472 HydrophobicContact CB-CG 3.5Å; P382-P472 VanDerWaalsContact CB-CG 3.5Å; P382-P472 HydrophobicContact CG-CB 4.2Å; P382-P472 HydrophobicContact CG-CG 3.32Å; P472-Q474 PolarHBondContact O-N 3.06Å; P472-Q474 VanDerWaalsContact O-N 3.12Å; P472-Y475 WeakPolarHBondContact O-CD2 3.35Å; P472-Y475 PolarHBondContact O-N 2.93Å
473Y98.6Very high96.6Very high0 Ų030.4 Ų30.40%016%0.158CC..G310 helixtrans-56.5-29.6-179.9-40.3-42.2000113.4E66 A69 S71 P74 T471 Y475 R476 A486 A489E66-Y473 HydrophobicContact CB-CE2 4.48Å; E66-Y473 WeakPolarHBondContact OE2-CE2 3.42Å; E66-Y473 PolarHBondContact OE2-OH 2.71Å; E66-Y473 VanDerWaalsContact OE2-OH 3.09Å; A69-Y473 HydrophobicContact CB-CE1 3.58Å; A69-Y473 WeakPolarHBondContact CB-OH 3.14Å; S71-Y473 WeakPolarHBondContact O-CD1 3.27Å; P74-Y473 HydrophobicContact CB-CE1 4.09Å; P74-Y473 HydrophobicContact CG-CD1 4.33Å; P74-Y473 HydrophobicContact CG-CE1 3.81Å; T471-Y473 HydrophobicContact CG2-CD2 4.11Å; T471-Y473 HydrophobicContact CG2-CE2 4.17Å; T471-Y473 PolarHBondContact O-N 3.31Å; T471-Y473 WeakPolarHBondContact OG1-CD2 3.23Å; Y473-Y475 PolarHBondContact O-N 2.84Å; Y473-R476 PolarHBondContact O-N 3.18Å; Y473-A486 WeakPolarHBondContact O-CB 3.41Å; Y473-A489 HydrophobicContact CD1-CB 4.35Å; Y473-A489 HydrophobicContact CD2-CB 3.53Å; Y473-A489 HydrophobicContact CE2-CB 4.06Å; Y473-A489 HydrophobicContact CG-CB 3.7Å
474Q98.4Very high96.7Very high0 Ų033.9 Ų33.90%018%0.181CC..G310 helixtrans-61.1-31.2179-63.4-174.11400111.9P449 P469 T471 P472 R476 L477 V490P449-Q474 HydrophobicContact CB-CB 4.14Å; P449-Q474 HydrophobicContact CG-CB 3.93Å; P469-Q474 PolarHBondContact O-NE2 3.43Å; T471-Q474 WeakPolarHBondContact O-CB 3.49Å; T471-Q474 WeakPolarHBondContact O-CG 3.24Å; T471-Q474 PolarHBondContact O-N 3.42Å; P472-Q474 PolarHBondContact O-N 3.06Å; P472-Q474 VanDerWaalsContact O-N 3.12Å; Q474-R476 PolarHBondContact O-N 3.26Å; Q474-L477 HydrophobicContact CB-CD1 4.32Å; Q474-L477 WeakPolarHBondContact O-CB 3.24Å; Q474-L477 WeakPolarHBondContact O-CD1 3.44Å; Q474-L477 WeakPolarHBondContact O-CG 3.1Å; Q474-L477 PolarHBondContact O-N 2.98Å; Q474-V490 HydrophobicContact CB-CG2 4.48Å; Q474-V490 HydrophobicContact CG-CG1 4.33Å; Q474-V490 HydrophobicContact CG-CG2 3.71Å
475Y98.5Very high96.9Very high0 Ų033.1 Ų33.10%018%0.184CC..G310 helixtrans-80.45.7-179.9-56.4-81.9000113.4M386 R389 M438 D439 S442 P449 C470 P472 Y473M386-Y475 VanDerWaalsContact CE-CB 3.49Å; M386-Y475 HydrophobicContact CE-CD1 3.98Å; M386-Y475 HydrophobicContact CE-CG 3.79Å; R389-Y475 PolarHBondContact NH1-O 2.53Å; R389-Y475 PolarHBondContact NH2-O 2.75Å; M438-Y475 HydrophobicContact CB-CE1 3.88Å; M438-Y475 HydrophobicContact CB-CE2 3.97Å; M438-Y475 VanDerWaalsContact CB-CZ 3.42Å; M438-Y475 WeakPolarHBondContact CB-OH 3.35Å; M438-Y475 HydrophobicContact CE-CD2 3.55Å; M438-Y475 HydrophobicContact CE-CE2 3.6Å; M438-Y475 HydrophobicContact CE-CG 4.1Å; M438-Y475 HydrophobicContact CG-CE2 4.41Å; D439-Y475 PolarHBondContact OD1-OH 3.31Å; S442-Y475 WeakPolarHBondContact OG-CD1 3.06Å; S442-Y475 WeakPolarHBondContact OG-CE1 3.18Å; P449-Y475 HydrophobicContact CG-CD1 4.32Å; P449-Y475 HydrophobicContact CG-CE1 4.19Å; C470-Y475 PolarHBondContact SG-OH 3.28Å; P472-Y475 WeakPolarHBondContact O-CD2 3.35Å; P472-Y475 PolarHBondContact O-N 2.93Å; Y473-Y475 PolarHBondContact O-N 2.84Å
476R98.4Very high97Very high2 Ų233.1 Ų33.11%0.00819%0.185CC..G310 helixtrans-114.27.1171.8-67.5-76.1-174169.74.7112.6D24 S71 D72 E385 Y473 Q474 Q478 H481 S482 W483 A486D24-R476 IonicContact OD2-NH1 2.74Å; S71-R476 VanDerWaalsContact OG-CG 3.26Å; S71-R476 WeakPolarHBondContact OG-CG 3.46Å; S71-R476 PolarHBondContact OG-NE 3.05Å; D72-R476 HydrophobicContact CB-CG 4.45Å; D72-R476 IonicContact OD2-CZ 3.7Å; D72-R476 IonicContact OD2-NH1 3.11Å; D72-R476 IonicContact OD2-NH2 3.63Å; D72-R476 PolarHBondContact OD2-NH2 2.77Å; E385-R476 IonicContact OE1-CZ 2.62Å; E385-R476 IonicContact OE1-NE 3.11Å; E385-R476 IonicContact OE1-NH2 3.69Å; E385-R476 PolarHBondContact OE1-NH2 3.32Å; Y473-R476 PolarHBondContact O-N 3.18Å; Q474-R476 PolarHBondContact O-N 3.26Å; R476-Q478 VanDerWaalsContact C-N 3.32Å; R476-H481 WeakPolarHBondContact CD-O 3.19Å; R476-H481 PolarHBondContact NH1-O 3.12Å; R476-S482 CarbonylContact O-C 3.27Å; R476-S482 VanDerWaalsContact O-CA 3.26Å; R476-S482 WeakPolarHBondContact O-CA 3.49Å; R476-S482 WeakPolarHBondContact O-CB 3.42Å; R476-W483 HydrophobicContact CB-CB 3.83Å; R476-W483 HydrophobicContact CG-CB 4.3Å; R476-W483 PolarHBondContact O-N 3.4Å; R476-A486 HydrophobicContact CB-CB 3.96Å
477L98.1Very high97.2Very high29 Ų2935.4 Ų35.415%0.15219%0.191CC..SBendtrans-71.2-27.6176.2-68.3171.6000113.1P449 L461 I465 Q474 A486 R487P449-L477 HydrophobicContact CB-CD1 4.46Å; L461-L477 HydrophobicContact CD1-CD1 4.15Å; L461-L477 HydrophobicContact CD1-CD2 4.23Å; L461-L477 HydrophobicContact CD2-CD1 4.32Å; L461-L477 HydrophobicContact CD2-CD2 4.09Å; I465-L477 HydrophobicContact CD1-CD1 3.76Å; I465-L477 HydrophobicContact CG1-CD1 4.1Å; Q474-L477 HydrophobicContact CB-CD1 4.32Å; Q474-L477 WeakPolarHBondContact O-CB 3.24Å; Q474-L477 WeakPolarHBondContact O-CD1 3.44Å; Q474-L477 WeakPolarHBondContact O-CG 3.1Å; Q474-L477 PolarHBondContact O-N 2.98Å; L477-A486 HydrophobicContact CD2-CB 3.89Å; L477-A486 HydrophobicContact CG-CB 4.38Å; L477-R487 HydrophobicContact CD2-CB 4.17Å
478Q96.7Very high97.6Very high53 Ų5338.4 Ų38.425%0.24820%0.201CC..SBendtrans-153.8170.9-177.259.5176.282.500110.8G446 K448 R476G446-Q478 PolarHBondContact O-NE2 2.96Å; K448-Q478 PolarHBondContact O-NE2 3.27Å; R476-Q478 VanDerWaalsContact C-N 3.32Å
479G96.5Very high97.8Very high33 Ų3338.6 Ų38.634%0.3420%0.203SC..SBendtrans80-173.9-179.300000113.5H481 S482G479-H481 PolarHBondContact O-N 3.38Å; G479-S482 PolarHBondContact O-N 2.9Å
480P97.1Very high97.9Very high39 Ų3938.6 Ų38.625%0.25320%0.203SC..THydrogen-bonded Turntrans-55.8135.9-179.9-24.834.3000112.2R389 I445 S482R389-P480 PolarHBondContact NH2-O 3.35Å; I445-P480 WeakPolarHBondContact O-CD 3.42Å; P480-S482 VanDerWaalsContact C-N 3.3Å; P480-S482 PolarHBondContact O-N 2.81Å
481H96.9Very high97.9Very high62 Ų6239.8 Ų39.829%0.28721%0.21SC..THydrogen-bonded Turntrans55.842.4179.7-42.8-61.9000112.8D24 Y25 R476 G479D24-H481 PolarHBondContact O-CE1 3.46Å; D24-H481 VanDerWaalsContact O-CE1 3.22Å; Y25-H481 AromaticContact CD2-NE2 3.43Å; Y25-H481 WeakPolarHBondContact CD2-NE2 3.5Å; Y25-H481 AromaticContact CE1-NE2 3.67Å; Y25-H481 AromaticContact CE2-CD2 3.56Å; Y25-H481 AromaticContact CE2-NE2 3.09Å; Y25-H481 WeakPolarHBondContact CE2-NE2 3.5Å; Y25-H481 AromaticContact CG-NE2 3.89Å; Y25-H481 AromaticContact CZ-CD2 3.83Å; Y25-H481 AromaticContact CZ-NE2 3.2Å; R476-H481 WeakPolarHBondContact CD-O 3.19Å; R476-H481 PolarHBondContact NH1-O 3.12Å; G479-H481 PolarHBondContact O-N 3.38Å
482S97.7Very high97.8Very high69 Ų6944.3 Ų44.348%0.48323%0.231SC..  trans-55.1151.9167.558.60000111.4R476 G479 P480R476-S482 CarbonylContact O-C 3.27Å; R476-S482 VanDerWaalsContact O-CA 3.26Å; R476-S482 WeakPolarHBondContact O-CA 3.49Å; R476-S482 WeakPolarHBondContact O-CB 3.42Å; G479-S482 PolarHBondContact O-N 2.9Å; P480-S482 VanDerWaalsContact C-N 3.3Å; P480-S482 PolarHBondContact O-N 2.81Å
483W98.3Very high97.7Very high83 Ų8344.4 Ų44.431%0.31423%0.232SC..  trans-119.5124.6-177176.555.7000111.3D72 P74 R476 G485 A486 A489D72-W483 HydrophobicContact CB-CB 4Å; D72-W483 HydrophobicContact CB-CD2 4.05Å; D72-W483 HydrophobicContact CB-CE3 4.44Å; D72-W483 HydrophobicContact CB-CG 3.84Å; P74-W483 VanDerWaalsContact CD-CH2 3.41Å; P74-W483 HydrophobicContact CG-CH2 3.52Å; P74-W483 HydrophobicContact CG-CZ3 3.9Å; R476-W483 HydrophobicContact CB-CB 3.83Å; R476-W483 HydrophobicContact CG-CB 4.3Å; R476-W483 PolarHBondContact O-N 3.4Å; W483-G485 VanDerWaalsContact CE3-C 3.47Å; W483-G485 VanDerWaalsContact CZ3-C 3.41Å; W483-G485 PolarHBondContact O-N 2.63Å; W483-A486 HydrophobicContact CB-CB 4.47Å; W483-A486 HydrophobicContact CE3-CB 4Å; W483-A486 WeakPolarHBondContact O-CB 3.43Å; W483-A486 PolarHBondContact O-N 2.95Å; W483-A489 HydrophobicContact CH2-CB 4.37Å; W483-A489 HydrophobicContact CZ3-CB 3.94Å
484N97.5Very high97.5Very high167 Ų16745.1 Ų45.189%0.89324%0.235SC*.THydrogen-bonded Turntrans-57.8-26.7-177.5-69.4-16.7000113.6A486N484-A486 VanDerWaalsContact C-N 3.35Å
485G98.1Very high97.3Very high21 Ų2147.4 Ų47.422%0.21626%0.258CS..THydrogen-bonded Turntrans-80.2-9.7176.400000115W483 R487 K488 A489W483-G485 VanDerWaalsContact CE3-C 3.47Å; W483-G485 VanDerWaalsContact CZ3-C 3.41Å; W483-G485 PolarHBondContact O-N 2.63Å; G485-R487 PolarHBondContact O-N 2.77Å; G485-K488 PolarHBondContact O-N 2.85Å; G485-A489 PolarHBondContact O-N 2.83Å
486A98.4Very high97.2Very high1 Ų149.2 Ų49.21%0.00826%0.264CS..Hα-helixtrans-59-50.2-169.500000112.5Y473 R476 L477 W483 N484 K488 A489 V490Y473-A486 WeakPolarHBondContact O-CB 3.41Å; R476-A486 HydrophobicContact CB-CB 3.96Å; L477-A486 HydrophobicContact CD2-CB 3.89Å; L477-A486 HydrophobicContact CG-CB 4.38Å; W483-A486 HydrophobicContact CB-CB 4.47Å; W483-A486 HydrophobicContact CE3-CB 4Å; W483-A486 WeakPolarHBondContact O-CB 3.43Å; W483-A486 PolarHBondContact O-N 2.95Å; N484-A486 VanDerWaalsContact C-N 3.35Å; A486-K488 VanDerWaalsContact C-N 3.32Å; A486-K488 PolarHBondContact O-N 3.4Å; A486-A489 PolarHBondContact O-N 2.84Å; A486-V490 WeakPolarHBondContact O-CG2 3.37Å; A486-V490 PolarHBondContact O-N 3.41Å
487R98Very high97.1Very high114 Ų11449.1 Ų49.143%0.4326%0.264SS..Hα-helixtrans-54.5-49.1178179.5-171.1-174.3-77.6-12.5111.7D458 L461 L477 G485 V490 V491D458-R487 VanDerWaalsContact CG-NH2 3.25Å; D458-R487 IonicContact OD1-CZ 3.53Å; D458-R487 IonicContact OD1-NH2 3.51Å; D458-R487 PolarHBondContact OD1-NH2 2.84Å; D458-R487 IonicContact OD2-CZ 3.58Å; D458-R487 IonicContact OD2-NE 3.99Å; D458-R487 PolarHBondContact OD2-NE 2.88Å; D458-R487 IonicContact OD2-NH2 2.9Å; D458-R487 PolarHBondContact OD2-NH2 2.87Å; L461-R487 HydrophobicContact CD1-CG 4.34Å; L461-R487 HydrophobicContact CD2-CG 4.24Å; L477-R487 HydrophobicContact CD2-CB 4.17Å; G485-R487 PolarHBondContact O-N 2.77Å; R487-V490 PolarHBondContact O-N 2.99Å; R487-V491 WeakPolarHBondContact O-CG2 3.34Å; R487-V491 PolarHBondContact O-N 3.46Å
488K98.3Very high96.8Very high127 Ų12751 Ų5155%0.55227%0.269SS*.Hα-helixtrans-61.5-46.2-179-175.7-179.3179.4179.30110.8G485 A486 V490 V491 E492G485-K488 PolarHBondContact O-N 2.85Å; A486-K488 VanDerWaalsContact C-N 3.32Å; A486-K488 PolarHBondContact O-N 3.4Å; K488-V490 VanDerWaalsContact C-N 3.32Å; K488-V490 PolarHBondContact O-N 3.12Å; K488-V491 PolarHBondContact O-N 2.83Å; K488-E492 WeakPolarHBondContact CE-OE1 3.38Å; K488-E492 WeakPolarHBondContact CE-OE2 3.32Å; K488-E492 HydrophobicContact CG-CG 4.2Å; K488-E492 WeakPolarHBondContact CG-OE1 3.41Å; K488-E492 VanDerWaalsContact O-CB 3.32Å; K488-E492 WeakPolarHBondContact O-CB 3.35Å; K488-E492 WeakPolarHBondContact O-CG 3.34Å; K488-E492 PolarHBondContact O-N 2.95Å
489A98.2Very high96.7Very high7 Ų750.3 Ų50.36%0.05827%0.27CS..Hα-helixtrans-61.4-39178.900000112.6P74 Y473 W483 G485 A486 V493P74-A489 HydrophobicContact CG-CB 4.24Å; Y473-A489 HydrophobicContact CD1-CB 4.35Å; Y473-A489 HydrophobicContact CD2-CB 3.53Å; Y473-A489 HydrophobicContact CE2-CB 4.06Å; Y473-A489 HydrophobicContact CG-CB 3.7Å; W483-A489 HydrophobicContact CH2-CB 4.37Å; W483-A489 HydrophobicContact CZ3-CB 3.94Å; G485-A489 PolarHBondContact O-N 2.83Å; A486-A489 PolarHBondContact O-N 2.84Å; A489-V493 PolarHBondContact O-N 2.77Å
490V98.2Very high96.6Very high2 Ų250 Ų501%0.01226%0.261CS..Hα-helixtrans-65.1-49.2175.7172.10000111.7L461 Q474 A486 R487 K488 V493L461-V490 HydrophobicContact CD1-CB 4.12Å; L461-V490 HydrophobicContact CD1-CG1 3.75Å; Q474-V490 HydrophobicContact CB-CG2 4.48Å; Q474-V490 HydrophobicContact CG-CG1 4.33Å; Q474-V490 HydrophobicContact CG-CG2 3.71Å; A486-V490 WeakPolarHBondContact O-CG2 3.37Å; A486-V490 PolarHBondContact O-N 3.41Å; R487-V490 PolarHBondContact O-N 2.99Å; K488-V490 VanDerWaalsContact C-N 3.32Å; K488-V490 PolarHBondContact O-N 3.12Å; V490-V493 VanDerWaalsContact O-CG1 3.27Å; V490-V493 WeakPolarHBondContact O-CG1 3.48Å
491V97.2Very high96.3Very high25 Ų2553.4 Ų53.415%0.15227%0.27CS..Hα-helixtrans-74.6-31-174.2176.10000112.3L460 L461 Y464 R487 K488L460-V491 HydrophobicContact CD2-CG1 3.7Å; L460-V491 HydrophobicContact CG-CG1 4.14Å; L461-V491 HydrophobicContact CD1-CG2 4.28Å; Y464-V491 HydrophobicContact CD2-CG1 4.39Å; Y464-V491 HydrophobicContact CD2-CG2 4.32Å; Y464-V491 HydrophobicContact CE2-CG1 4.13Å; R487-V491 WeakPolarHBondContact O-CG2 3.34Å; R487-V491 PolarHBondContact O-N 3.46Å; K488-V491 PolarHBondContact O-N 2.83Å
492E96.3Very high95.7Very high97 Ų9755.4 Ų55.445%0.45328%0.278SS..THydrogen-bonded Turntrans-90.41.5-179.1-65.2-177.7179.900114K488 W494 G495 R496K488-E492 WeakPolarHBondContact CE-OE1 3.38Å; K488-E492 WeakPolarHBondContact CE-OE2 3.32Å; K488-E492 HydrophobicContact CG-CG 4.2Å; K488-E492 WeakPolarHBondContact CG-OE1 3.41Å; K488-E492 VanDerWaalsContact O-CB 3.32Å; K488-E492 WeakPolarHBondContact O-CB 3.35Å; K488-E492 WeakPolarHBondContact O-CG 3.34Å; K488-E492 PolarHBondContact O-N 2.95Å; E492-W494 VanDerWaalsContact C-N 3.3Å; E492-W494 PolarHBondContact O-N 2.88Å; E492-W494 VanDerWaalsContact O-N 3.15Å; E492-G495 WeakPolarHBondContact O-CA 3.44Å; E492-G495 PolarHBondContact O-N 2.7Å; E492-R496 PolarHBondContact O-N 2.78Å
493V96.8Very high95.2Very high1 Ų158.4 Ų58.41%0.00629%0.294CS..Hα-helixtrans-52.1-42.8-171.469.50000113.4E66 Y464 P469 T471 A489 V490 G495 R496 I497E66-V493 HydrophobicContact CB-CG2 4.02Å; E66-V493 HydrophobicContact CG-CG2 4.04Å; Y464-V493 HydrophobicContact CD1-CG1 4.33Å; Y464-V493 HydrophobicContact CE1-CG1 4.2Å; P469-V493 HydrophobicContact CG-CG1 4.23Å; P469-V493 HydrophobicContact CG-CG2 4.48Å; T471-V493 HydrophobicContact CG2-CG2 3.7Å; A489-V493 PolarHBondContact O-N 2.77Å; V490-V493 VanDerWaalsContact O-CG1 3.27Å; V490-V493 WeakPolarHBondContact O-CG1 3.48Å; V493-G495 VanDerWaalsContact C-N 3.33Å; V493-G495 PolarHBondContact O-N 2.72Å; V493-R496 WeakPolarHBondContact O-CB 3.42Å; V493-R496 PolarHBondContact O-N 3.28Å; V493-R496 VanDerWaalsContact O-N 3.16Å; V493-I497 HydrophobicContact CG2-CD1 3.9Å; V493-I497 HydrophobicContact CG2-CG1 4.43Å; V493-I497 WeakPolarHBondContact O-CG1 3.33Å; V493-I497 PolarHBondContact O-N 3.35Å
494W94Very high94.6Very high16 Ų1663.8 Ų63.86%0.06131%0.314CS..Hα-helixtrans-67-33.4179.8-66.7121.5000113.1Y231 V235 L236 Y464 P469 E492 R496 I497 R498 I515Y231-W494 HydrophobicContact CD1-CE3 4.27Å; Y231-W494 HydrophobicContact CD1-CZ3 4.01Å; Y231-W494 HydrophobicContact CE1-CE3 4.21Å; Y231-W494 HydrophobicContact CE1-CZ3 4.37Å; V235-W494 HydrophobicContact CB-CH2 4.45Å; V235-W494 HydrophobicContact CB-CZ3 4.43Å; V235-W494 HydrophobicContact CG2-CH2 4.09Å; V235-W494 HydrophobicContact CG2-CZ3 3.8Å; L236-W494 HydrophobicContact CD2-CH2 3.93Å; L236-W494 HydrophobicContact CD2-CZ3 4.39Å; Y464-W494 AromaticContact CE1-CD1 3.45Å; Y464-W494 VanDerWaalsContact CE1-CD1 3.45Å; Y464-W494 AromaticContact CE1-NE1 3.63Å; P469-W494 HydrophobicContact CG-CH2 3.77Å; P469-W494 HydrophobicContact CG-CZ2 3.69Å; P469-W494 HydrophobicContact CG-CZ3 4.37Å; E492-W494 VanDerWaalsContact C-N 3.3Å; E492-W494 PolarHBondContact O-N 2.88Å; E492-W494 VanDerWaalsContact O-N 3.15Å; W494-R496 VanDerWaalsContact C-N 3.31Å; W494-I497 HydrophobicContact CD2-CD1 4.45Å; W494-I497 HydrophobicContact CE3-CD1 3.68Å; W494-I497 HydrophobicContact CZ3-CD1 3.86Å; W494-R498 WeakPolarHBondContact O-CB 3.3Å; W494-R498 VanDerWaalsContact O-CG 3.26Å; W494-R498 WeakPolarHBondContact O-CG 3.43Å; W494-R498 PolarHBondContact O-N 3.02Å; W494-R498 VanDerWaalsContact O-N 3.09Å; W494-I515 HydrophobicContact CD2-CD1 4.03Å; W494-I515 HydrophobicContact CE3-CD1 3.94Å; W494-I515 HydrophobicContact CH2-CD1 3.52Å; W494-I515 HydrophobicContact CZ2-CD1 3.58Å; W494-I515 HydrophobicContact CZ3-CD1 3.69Å
495G93.7Very high93.8Very high47 Ų4765.8 Ų65.849%0.48531%0.309SS..Hα-helixtrans-64.1-41.1173.500000111.1E492 V493 R498 C499E492-G495 WeakPolarHBondContact O-CA 3.44Å; E492-G495 PolarHBondContact O-N 2.7Å; V493-G495 VanDerWaalsContact C-N 3.33Å; V493-G495 PolarHBondContact O-N 2.72Å; G495-R498 PolarHBondContact O-N 3.39Å; G495-C499 WeakPolarHBondContact O-CB 3.12Å; G495-C499 PolarHBondContact O-N 3.23Å
496R96.2Very high93.1Very high38 Ų3867.6 Ų67.614%0.14332%0.317CS..Hα-helixtrans-69.3-39178.9-61.9171.553.773.817.1112.7K65 E66 P75 K77 E492 V493 W494 C499 P500K65-R496 PolarHBondContact NZ-O 3.33Å; E66-R496 VanDerWaalsContact CD-NE 3.34Å; E66-R496 IonicContact OE1-CZ 3.74Å; E66-R496 IonicContact OE1-NE 3.39Å; E66-R496 PolarHBondContact OE1-NE 3.22Å; E66-R496 IonicContact OE1-NH2 3.93Å; E66-R496 PolarHBondContact OE1-NH2 3Å; E66-R496 IonicContact OE2-CZ 3.85Å; E66-R496 IonicContact OE2-NE 2.74Å; E66-R496 PolarHBondContact OE2-NE 3.44Å; E66-R496 IonicContact OE2-NH2 3.97Å; E66-R496 PolarHBondContact OE2-NH2 2.7Å; P75-R496 PolarHBondContact O-NH2 3.2Å; K77-R496 HydrophobicContact CB-CG 4.33Å; E492-R496 PolarHBondContact O-N 2.78Å; V493-R496 WeakPolarHBondContact O-CB 3.42Å; V493-R496 PolarHBondContact O-N 3.28Å; V493-R496 VanDerWaalsContact O-N 3.16Å; W494-R496 VanDerWaalsContact C-N 3.31Å; R496-C499 WeakPolarHBondContact O-CB 3.36Å; R496-C499 PolarHBondContact O-N 3.26Å; R496-P500 WeakPolarHBondContact O-CD 3.35Å
497I95.9Very high92.4Very high0 Ų073 Ų730%036%0.361CS..Hα-helixtrans-63-40.8173-68.9162.3000111.1E66 N81 Y231 P232 V235 V493 W494 P500E66-I497 HydrophobicContact CG-CG1 4.01Å; N81-I497 PolarHBondContact ND2-O 3.13Å; N81-I497 PolarHBondContact OD1-O 3.12Å; Y231-I497 HydrophobicContact CD1-CG2 3.94Å; Y231-I497 HydrophobicContact CE1-CG2 4.3Å; P232-I497 HydrophobicContact CG-CG2 4.35Å; V235-I497 HydrophobicContact CB-CD1 4.07Å; V235-I497 HydrophobicContact CG1-CD1 3.78Å; V235-I497 HydrophobicContact CG1-CG1 4.49Å; V235-I497 HydrophobicContact CG2-CD1 4.13Å; V493-I497 HydrophobicContact CG2-CD1 3.9Å; V493-I497 HydrophobicContact CG2-CG1 4.43Å; V493-I497 WeakPolarHBondContact O-CG1 3.33Å; V493-I497 PolarHBondContact O-N 3.35Å; W494-I497 HydrophobicContact CD2-CD1 4.45Å; W494-I497 HydrophobicContact CE3-CD1 3.68Å; W494-I497 HydrophobicContact CZ3-CD1 3.86Å; I497-P500 WeakPolarHBondContact O-CD 3.42Å
498R93.5Very high91.6Very high70 Ų7074.1 Ų74.126%0.26438%0.375SS..Hα-helixtrans-77-26.2-179.2-69.4173-169.2134.71.8113.5Y231 W494 G495 Y501 K502Y231-R498 HydrophobicContact CE1-CG 4.11Å; Y231-R498 PolarHBondContact OH-NE 2.98Å; W494-R498 WeakPolarHBondContact O-CB 3.3Å; W494-R498 VanDerWaalsContact O-CG 3.26Å; W494-R498 WeakPolarHBondContact O-CG 3.43Å; W494-R498 PolarHBondContact O-N 3.02Å; W494-R498 VanDerWaalsContact O-N 3.09Å; G495-R498 PolarHBondContact O-N 3.39Å; R498-Y501 WeakPolarHBondContact O-CB 3.38Å; R498-Y501 PolarHBondContact O-N 2.8Å; R498-K502 PolarHBondContact O-N 2.94Å
499C94Very high90.4Very high38 Ų3872 Ų7226%0.25737%0.369SS..G310 helixtrans-47.6-51.3-175.3-169.40000114.5K77 G495 R496 Y501 K502K77-C499 HydrophobicContact CB-CB 4.45Å; K77-C499 WeakPolarHBondContact O-CB 3.34Å; G495-C499 WeakPolarHBondContact O-CB 3.12Å; G495-C499 PolarHBondContact O-N 3.23Å; R496-C499 WeakPolarHBondContact O-CB 3.36Å; R496-C499 PolarHBondContact O-N 3.26Å; C499-Y501 PolarHBondContact O-N 3.34Å; C499-K502 PolarHBondContact O-N 3.26Å; C499-K502 VanDerWaalsContact O-N 3.14Å
500P94.2Very high89.1Confident25 Ų2580.5 Ų80.516%0.16241%0.405CS..G310 helixtrans-67.4-18.4-179.427-37000114.2R496 I497R496-P500 WeakPolarHBondContact O-CD 3.35Å; I497-P500 WeakPolarHBondContact O-CD 3.42Å
501Y90.6Very high87.7Confident111 Ų11184.7 Ų84.744%0.43543%0.431SS..G310 helixtrans-82.7-17.1176.2-53.8-40000112.9N81 R498 C499 T503N81-Y501 WeakPolarHBondContact ND2-CE2 3.35Å; N81-Y501 PolarHBondContact ND2-OH 3.41Å; R498-Y501 WeakPolarHBondContact O-CB 3.38Å; R498-Y501 PolarHBondContact O-N 2.8Å; C499-Y501 PolarHBondContact O-N 3.34Å; Y501-T503 VanDerWaalsContact C-N 3.33Å; Y501-T503 PolarHBondContact O-N 3.16Å
502K85.5Confident86Confident104 Ų10489 Ų8945%0.45246%0.457SS..THydrogen-bonded Turntrans-94.232.6-174.3-66.9-162.6172.7-141.10113.7R498 C499 R504 D509R498-K502 PolarHBondContact O-N 2.94Å; C499-K502 PolarHBondContact O-N 3.26Å; C499-K502 VanDerWaalsContact O-N 3.14Å; K502-R504 PolarHBondContact O-N 3.44Å; K502-D509 IonicContact NZ-OD1 3.59Å; K502-D509 IonicContact NZ-OD2 2.82Å; K502-D509 PolarHBondContact NZ-OD2 3.31Å
503T85.4Confident84.5Confident133 Ų13390.8 Ų90.882%0.81646%0.464SS*.THydrogen-bonded Turntrans-69.3-22.917454.70000112.7Y501Y501-T503 VanDerWaalsContact C-N 3.33Å; Y501-T503 PolarHBondContact O-N 3.16Å
504R87.2Confident83.1Confident196 Ų19691.8 Ų91.874%0.7447%0.469SS*.SBendtrans-129.7132.5169.8-180177.8178.1-99.91.7109.5K502 P506K502-R504 PolarHBondContact O-N 3.44Å; R504-P506 WeakPolarHBondContact O-CD 3.4Å
505R80.2Confident81.7Confident209 Ų20992.2 Ų92.279%0.78947%0.472SS*.  trans-92115.1172.8-64.4-175-174.6-177.41.9109.4
506P83.1Confident80.4Confident58 Ų5893.1 Ų93.138%0.37746%0.463SS..  trans-68160.1172.929.7-34.2000110.8R504 I508R504-P506 WeakPolarHBondContact O-CD 3.4Å; P506-I508 VanDerWaalsContact CG-O 3.29Å; P506-I508 WeakPolarHBondContact CG-O 3.43Å; P506-I508 PolarHBondContact O-N 3.27Å
507A84.3Confident78.4Confident114 Ų11492.4 Ų92.494%0.94246%0.463SS*.SBendtrans-59.7-29.9174.600000112.5
508I80.6Confident76.5Confident139 Ų13996.3 Ų96.371%0.71348%0.483SS*.  trans-112.899.6173-56172.7000107.7P506P506-I508 VanDerWaalsContact CG-O 3.29Å; P506-I508 WeakPolarHBondContact CG-O 3.43Å; P506-I508 PolarHBondContact O-N 3.27Å
509D73.4Confident74.9Confident82 Ų8296.6 Ų96.644%0.43949%0.494SS..  trans-92.3-5.6178.6-167.731.9000113K502 T511K502-D509 IonicContact NZ-OD1 3.59Å; K502-D509 IonicContact NZ-OD2 2.82Å; K502-D509 PolarHBondContact NZ-OD2 3.31Å; D509-T511 PolarHBondContact O-N 3.44Å
510K71.7Confident73.2Confident186 Ų186102.1 Ų102.181%0.80951%0.509SS*.SBendtrans-74.4114.9174-74.5-172.8179.9-179.70109.6T512K510-T512 PolarHBondContact O-N 2.84Å
511T67.7Low71.6Confident90 Ų90106.2 Ų106.255%0.55253%0.527SS*.  trans-65.7118.417251.90000109.9D509 F513D509-T511 PolarHBondContact O-N 3.44Å; T511-F513 VanDerWaalsContact C-N 3.3Å
512T62.4Low70.2Confident115 Ų115107.4 Ų107.471%0.70654%0.535SS*.SBendtrans-68.7-31.9174.4-44.40000112.2K510K510-T512 PolarHBondContact O-N 2.84Å
513F63.7Low69.4Low134 Ų134108.8 Ų108.859%0.58854%0.542SS*.SBendtrans-125.5119.6173.6-59.1-81.4000108.5T511 T517T511-F513 VanDerWaalsContact C-N 3.3Å; F513-T517 HydrophobicContact CD1-CG2 4.49Å
514D67Low68.6Low23 Ų23107.3 Ų107.312%0.12353%0.528CS..  trans-120.1170.8167.776.48.8000110.9F516 T517 R520D514-F516 PolarHBondContact O-N 2.64Å; D514-F516 VanDerWaalsContact OD1-CA 3.26Å; D514-F516 WeakPolarHBondContact OD1-CA 3.48Å; D514-F516 WeakPolarHBondContact OD1-CB 3.34Å; D514-F516 PolarHBondContact OD1-N 3.1Å; D514-T517 VanDerWaalsContact CG-OG1 3.24Å; D514-T517 PolarHBondContact N-OG1 2.86Å; D514-T517 VanDerWaalsContact O-CB 3.29Å; D514-T517 WeakPolarHBondContact O-CB 3.45Å; D514-T517 PolarHBondContact O-N 2.7Å; D514-T517 PolarHBondContact O-OG1 2.85Å; D514-T517 WeakPolarHBondContact OD1-CA 3.41Å; D514-T517 WeakPolarHBondContact OD1-CB 3.2Å; D514-T517 PolarHBondContact OD1-N 3.01Å; D514-T517 PolarHBondContact OD1-OG1 2.88Å; D514-R520 IonicContact OD2-NH1 3.93Å
515I65.9Low67.9Low25 Ų25102.4 Ų102.413%0.12852%0.516CS..THydrogen-bonded Turntrans-60.3-17.4178.559.5169.8000113.2Y231 L236 W494 P519Y231-I515 HydrophobicContact CD2-CG2 3.53Å; Y231-I515 HydrophobicContact CE2-CG2 3.76Å; Y231-I515 HydrophobicContact CG-CG2 3.97Å; L236-I515 HydrophobicContact CD2-CB 4.29Å; L236-I515 HydrophobicContact CD2-CD1 4.44Å; L236-I515 HydrophobicContact CD2-CG2 3.72Å; W494-I515 HydrophobicContact CD2-CD1 4.03Å; W494-I515 HydrophobicContact CE3-CD1 3.94Å; W494-I515 HydrophobicContact CH2-CD1 3.52Å; W494-I515 HydrophobicContact CZ2-CD1 3.58Å; W494-I515 HydrophobicContact CZ3-CD1 3.69Å; I515-P519 VanDerWaalsContact O-CD 3.25Å; I515-P519 WeakPolarHBondContact O-CD 3.39Å; I515-P519 WeakPolarHBondContact O-CG 3.31Å
516F65.3Low67.6Low65 Ų6597.5 Ų97.529%0.28551%0.505SS..THydrogen-bonded Turntrans-95.3-14.5175.3-54.7-69000111.9D514 R520D514-F516 PolarHBondContact O-N 2.64Å; D514-F516 VanDerWaalsContact OD1-CA 3.26Å; D514-F516 WeakPolarHBondContact OD1-CA 3.48Å; D514-F516 WeakPolarHBondContact OD1-CB 3.34Å; D514-F516 PolarHBondContact OD1-N 3.1Å; F516-R520 WeakPolarHBondContact O-CB 3.35Å; F516-R520 WeakPolarHBondContact O-CD 3.25Å; F516-R520 WeakPolarHBondContact O-CG 3.03Å; F516-R520 PolarHBondContact O-N 2.81Å
517T55.2Low67.2Low24 Ų2497.8 Ų97.815%0.14750%0.503CS..Hα-helixtrans-73.7-46.3-172-59.60000110F513 D514 R520 M521F513-T517 HydrophobicContact CD1-CG2 4.49Å; D514-T517 VanDerWaalsContact CG-OG1 3.24Å; D514-T517 PolarHBondContact N-OG1 2.86Å; D514-T517 VanDerWaalsContact O-CB 3.29Å; D514-T517 WeakPolarHBondContact O-CB 3.45Å; D514-T517 PolarHBondContact O-N 2.7Å; D514-T517 PolarHBondContact O-OG1 2.85Å; D514-T517 WeakPolarHBondContact OD1-CA 3.41Å; D514-T517 WeakPolarHBondContact OD1-CB 3.2Å; D514-T517 PolarHBondContact OD1-N 3.01Å; D514-T517 PolarHBondContact OD1-OG1 2.88Å; T517-R520 PolarHBondContact O-N 2.86Å; T517-M521 HydrophobicContact CG2-CG 4.29Å; T517-M521 HydrophobicContact CG2-SD 4.06Å; T517-M521 VanDerWaalsContact O-CB 3.31Å; T517-M521 WeakPolarHBondContact O-CB 3.37Å; T517-M521 VanDerWaalsContact O-CG 3.25Å; T517-M521 WeakPolarHBondContact O-CG 3.33Å; T517-M521 PolarHBondContact O-N 2.9Å
518I55.3Low66.8Low82 Ų8296.6 Ų96.642%0.42148%0.48SS..Hα-helixtrans-63.2-50.3176.4-63.4171.3000110.5R520 M521 F522I518-R520 PolarHBondContact O-N 2.77Å; I518-M521 PolarHBondContact O-N 2.78Å; I518-F522 WeakPolarHBondContact O-CB 3.32Å; I518-F522 PolarHBondContact O-N 2.87Å
519P60.2Low66.5Low76 Ų7695.8 Ų95.849%0.49448%0.475SS..Hα-helixtrans-58.2-41.3172.7-26.334.3000114I515 F522 F523I515-P519 VanDerWaalsContact O-CD 3.25Å; I515-P519 WeakPolarHBondContact O-CD 3.39Å; I515-P519 WeakPolarHBondContact O-CG 3.31Å; P519-F522 PolarHBondContact O-N 3.3Å; P519-F523 WeakPolarHBondContact O-CB 3.22Å; P519-F523 PolarHBondContact O-N 2.9Å
520R58.8Low66.7Low154 Ų15493.9 Ų93.958%0.58147%0.474SS*.Hα-helixtrans-63.7-43.6176.3-79.3168.4-175.6158.12.6111.6D514 F516 T517 I518 F523 L524D514-R520 IonicContact OD2-NH1 3.93Å; F516-R520 WeakPolarHBondContact O-CB 3.35Å; F516-R520 WeakPolarHBondContact O-CD 3.25Å; F516-R520 WeakPolarHBondContact O-CG 3.03Å; F516-R520 PolarHBondContact O-N 2.81Å; T517-R520 PolarHBondContact O-N 2.86Å; I518-R520 PolarHBondContact O-N 2.77Å; R520-F523 PolarHBondContact O-N 3.44Å; R520-L524 WeakPolarHBondContact O-CB 3.41Å; R520-L524 PolarHBondContact O-N 2.78Å
521M59.8Low66.9Low110 Ų11090.5 Ų90.554%0.54246%0.46SS..Hα-helixtrans-67.8-41.9177.7-73.9-173.876.700111T517 I518 L524 L525T517-M521 HydrophobicContact CG2-CG 4.29Å; T517-M521 HydrophobicContact CG2-SD 4.06Å; T517-M521 VanDerWaalsContact O-CB 3.31Å; T517-M521 WeakPolarHBondContact O-CB 3.37Å; T517-M521 VanDerWaalsContact O-CG 3.25Å; T517-M521 WeakPolarHBondContact O-CG 3.33Å; T517-M521 PolarHBondContact O-N 2.9Å; I518-M521 PolarHBondContact O-N 2.78Å; M521-L524 CarbonylContact O-C 3.49Å; M521-L524 PolarHBondContact O-N 2.85Å; M521-L525 VanDerWaalsContact O-CB 3.32Å; M521-L525 WeakPolarHBondContact O-CB 3.43Å; M521-L525 PolarHBondContact O-N 3.18Å
522F61.8Low67.3Low137 Ų13789.2 Ų89.260%0.60145%0.452SS*.Hα-helixtrans-64.4-42.8174.8-123.5-88000111.6I518 P519 L525 L526I518-F522 WeakPolarHBondContact O-CB 3.32Å; I518-F522 PolarHBondContact O-N 2.87Å; P519-F522 PolarHBondContact O-N 3.3Å; F522-L525 PolarHBondContact O-N 3.46Å; F522-L526 HydrophobicContact CD1-CD1 4.47Å; F522-L526 WeakPolarHBondContact O-CB 3.47Å; F522-L526 VanDerWaalsContact O-CG 3.28Å; F522-L526 WeakPolarHBondContact O-CG 3.32Å; F522-L526 PolarHBondContact O-N 2.89Å
523F68.1Low67.9Low133 Ų13387.5 Ų87.558%0.58344%0.443SS*.Hα-helixtrans-63.6-42.4173.9-178.7-105000111.3P519 R520 L525 L526 L527P519-F523 WeakPolarHBondContact O-CB 3.22Å; P519-F523 PolarHBondContact O-N 2.9Å; R520-F523 PolarHBondContact O-N 3.44Å; F523-L525 VanDerWaalsContact C-N 3.33Å; F523-L525 PolarHBondContact O-N 3.09Å; F523-L526 PolarHBondContact O-N 3.19Å; F523-L527 HydrophobicContact CD1-CD1 3.63Å; F523-L527 HydrophobicContact CD1-CG 4.23Å; F523-L527 HydrophobicContact CE1-CD1 3.31Å; F523-L527 HydrophobicContact CE1-CD2 4.47Å; F523-L527 HydrophobicContact CE1-CG 3.96Å; F523-L527 HydrophobicContact CG-CD1 4.48Å; F523-L527 HydrophobicContact CZ-CD1 3.92Å; F523-L527 HydrophobicContact CZ-CD2 4.27Å; F523-L527 HydrophobicContact CZ-CG 4.12Å; F523-L527 WeakPolarHBondContact O-CB 3.48Å; F523-L527 VanDerWaalsContact O-CG 3.26Å; F523-L527 WeakPolarHBondContact O-CG 3.37Å; F523-L527 PolarHBondContact O-N 2.8Å
524L69.3Low68.5Low102 Ų10286.2 Ų86.253%0.53444%0.441SS..Hα-helixtrans-63-39.7173.3-163.491.9000111.1R520 M521 L527 I528R520-L524 WeakPolarHBondContact O-CB 3.41Å; R520-L524 PolarHBondContact O-N 2.78Å; M521-L524 CarbonylContact O-C 3.49Å; M521-L524 PolarHBondContact O-N 2.85Å; L524-L527 WeakPolarHBondContact O-CB 3.35Å; L524-L527 PolarHBondContact O-N 3.29Å; L524-I528 HydrophobicContact CD2-CD1 4.06Å; L524-I528 HydrophobicContact CG-CD1 4.12Å; L524-I528 WeakPolarHBondContact O-CB 3.49Å; L524-I528 WeakPolarHBondContact O-CD1 3.36Å; L524-I528 WeakPolarHBondContact O-CG1 3.37Å; L524-I528 PolarHBondContact O-N 2.97Å
525L71.5Confident68.6Low93 Ų9392.7 Ų92.749%0.48746%0.464SS..Hα-helixtrans-67-41.9176.1-124.1141000111.3M521 F522 F523 I528 M529M521-L525 VanDerWaalsContact O-CB 3.32Å; M521-L525 WeakPolarHBondContact O-CB 3.43Å; M521-L525 PolarHBondContact O-N 3.18Å; F522-L525 PolarHBondContact O-N 3.46Å; F523-L525 VanDerWaalsContact C-N 3.33Å; F523-L525 PolarHBondContact O-N 3.09Å; L525-I528 PolarHBondContact O-N 3Å; L525-M529 HydrophobicContact CD2-CG 4.33Å; L525-M529 HydrophobicContact CD2-SD 4.05Å; L525-M529 VanDerWaalsContact O-CB 3.29Å; L525-M529 WeakPolarHBondContact O-CB 3.45Å; L525-M529 VanDerWaalsContact O-CG 3.23Å; L525-M529 WeakPolarHBondContact O-CG 3.36Å; L525-M529 PolarHBondContact O-N 2.96Å
526L74.4Confident69.2Low106 Ų10696.1 Ų96.156%0.55548%0.482SS*.Hα-helixtrans-65.8-39.3173.8-74.1170.1000111.5F522 F523 G530F522-L526 HydrophobicContact CD1-CD1 4.47Å; F522-L526 WeakPolarHBondContact O-CB 3.47Å; F522-L526 VanDerWaalsContact O-CG 3.28Å; F522-L526 WeakPolarHBondContact O-CG 3.32Å; F522-L526 PolarHBondContact O-N 2.89Å; F523-L526 PolarHBondContact O-N 3.19Å; L526-G530 PolarHBondContact O-N 2.91Å
527L75Confident69.9Low63 Ų63101.9 Ų101.933%0.3350%0.502SS..Hα-helixtrans-61.4-51.2170.8-77.2172.4000109.9F523 L524 M529 G530 F531F523-L527 HydrophobicContact CD1-CD1 3.63Å; F523-L527 HydrophobicContact CD1-CG 4.23Å; F523-L527 HydrophobicContact CE1-CD1 3.31Å; F523-L527 HydrophobicContact CE1-CD2 4.47Å; F523-L527 HydrophobicContact CE1-CG 3.96Å; F523-L527 HydrophobicContact CG-CD1 4.48Å; F523-L527 HydrophobicContact CZ-CD1 3.92Å; F523-L527 HydrophobicContact CZ-CD2 4.27Å; F523-L527 HydrophobicContact CZ-CG 4.12Å; F523-L527 WeakPolarHBondContact O-CB 3.48Å; F523-L527 VanDerWaalsContact O-CG 3.26Å; F523-L527 WeakPolarHBondContact O-CG 3.37Å; F523-L527 PolarHBondContact O-N 2.8Å; L524-L527 WeakPolarHBondContact O-CB 3.35Å; L524-L527 PolarHBondContact O-N 3.29Å; L527-M529 PolarHBondContact O-N 2.97Å; L527-G530 PolarHBondContact O-N 2.9Å; L527-F531 HydrophobicContact CB-CD2 4.31Å; L527-F531 HydrophobicContact CD2-CD2 3.94Å; L527-F531 HydrophobicContact CD2-CE2 3.54Å; L527-F531 VanDerWaalsContact O-CB 3.24Å; L527-F531 WeakPolarHBondContact O-CB 3.1Å; L527-F531 VanDerWaalsContact O-CD2 3.22Å; L527-F531 WeakPolarHBondContact O-CD2 3.22Å; L527-F531 PolarHBondContact O-N 3.35Å
528I75.8Confident71.2Confident89 Ų89106.9 Ų106.946%0.45652%0.522SS..Hα-helixtrans-57.8-50.6176.7-69.3162.3000109.5L524 L525 G530 F531 T532L524-I528 HydrophobicContact CD2-CD1 4.06Å; L524-I528 HydrophobicContact CG-CD1 4.12Å; L524-I528 WeakPolarHBondContact O-CB 3.49Å; L524-I528 WeakPolarHBondContact O-CD1 3.36Å; L524-I528 WeakPolarHBondContact O-CG1 3.37Å; L524-I528 PolarHBondContact O-N 2.97Å; L525-I528 PolarHBondContact O-N 3Å; I528-G530 VanDerWaalsContact C-N 3.31Å; I528-G530 PolarHBondContact O-N 3.05Å; I528-F531 PolarHBondContact O-N 2.89Å; I528-T532 WeakPolarHBondContact CG2-OG1 3.21Å; I528-T532 WeakPolarHBondContact O-CA 3.22Å; I528-T532 WeakPolarHBondContact O-CB 3.45Å; I528-T532 PolarHBondContact O-N 2.9Å; I528-T532 PolarHBondContact O-OG1 3.34Å
529M75.4Confident72.3Confident123 Ų123107.9 Ų107.961%0.60653%0.528SS*.Hα-helixtrans-62.4-34.1179.1-74-179.266.700113.4L525 L527 P533L525-M529 HydrophobicContact CD2-CG 4.33Å; L525-M529 HydrophobicContact CD2-SD 4.05Å; L525-M529 VanDerWaalsContact O-CB 3.29Å; L525-M529 WeakPolarHBondContact O-CB 3.45Å; L525-M529 VanDerWaalsContact O-CG 3.23Å; L525-M529 WeakPolarHBondContact O-CG 3.36Å; L525-M529 PolarHBondContact O-N 2.96Å; L527-M529 PolarHBondContact O-N 2.97Å; M529-P533 WeakPolarHBondContact O-CD 3.37Å; M529-P533 WeakPolarHBondContact O-CG 3.25Å
530G77.1Confident73.3Confident42 Ų42111.3 Ų111.343%0.43354%0.541SS..Hα-helixtrans-76.8-38.2175.900000113.3L526 L527 I528L526-G530 PolarHBondContact O-N 2.91Å; L527-G530 PolarHBondContact O-N 2.9Å; I528-G530 VanDerWaalsContact C-N 3.31Å; I528-G530 PolarHBondContact O-N 3.05Å
531F75.8Confident74.5Confident114 Ų114109.1 Ų109.150%0.555%0.545SS..Hα-helixtrans-89.8-26.2-176.3-80.2-81.5000113.7L527 I528 L534 W535L527-F531 HydrophobicContact CB-CD2 4.31Å; L527-F531 HydrophobicContact CD2-CD2 3.94Å; L527-F531 HydrophobicContact CD2-CE2 3.54Å; L527-F531 VanDerWaalsContact O-CB 3.24Å; L527-F531 WeakPolarHBondContact O-CB 3.1Å; L527-F531 VanDerWaalsContact O-CD2 3.22Å; L527-F531 WeakPolarHBondContact O-CD2 3.22Å; L527-F531 PolarHBondContact O-N 3.35Å; I528-F531 PolarHBondContact O-N 2.89Å; F531-L534 HydrophobicContact CD1-CD1 4.27Å; F531-L534 CarbonylContact O-C 3.59Å; F531-L534 WeakPolarHBondContact O-CA 3.26Å; F531-L534 WeakPolarHBondContact O-CB 3.26Å; F531-L534 PolarHBondContact O-N 2.89Å; F531-L534 VanDerWaalsContact O-N 3.11Å; F531-W535 WeakPolarHBondContact O-CB 3.46Å; F531-W535 PolarHBondContact O-N 3.43Å
532T76.7Confident75Confident64 Ų64109.6 Ų109.639%0.39357%0.567SS.*Hα-helixtrans-61.4-42.8179.4-52.70000111.7I528 L534 W535 L536I528-T532 WeakPolarHBondContact CG2-OG1 3.21Å; I528-T532 WeakPolarHBondContact O-CA 3.22Å; I528-T532 WeakPolarHBondContact O-CB 3.45Å; I528-T532 PolarHBondContact O-N 2.9Å; I528-T532 PolarHBondContact O-OG1 3.34Å; T532-L534 VanDerWaalsContact C-N 3.34Å; T532-L534 PolarHBondContact O-N 3.35Å; T532-W535 PolarHBondContact O-N 2.83Å; T532-L536 HydrophobicContact CG2-CD1 3.95Å; T532-L536 WeakPolarHBondContact O-CB 3.31Å; T532-L536 WeakPolarHBondContact O-CG 3.5Å; T532-L536 PolarHBondContact O-N 2.81Å
533P74.9Confident75.7Confident78 Ų78108.3 Ų108.351%0.50657%0.565SS.*Hα-helixtrans-62.8-38.5171.7-21.533000112.9M529 R537M529-P533 WeakPolarHBondContact O-CD 3.37Å; M529-P533 WeakPolarHBondContact O-CG 3.25Å; P533-R537 VanDerWaalsContact O-CB 3.28Å; P533-R537 WeakPolarHBondContact O-CB 3.31Å; P533-R537 PolarHBondContact O-N 2.89Å
534L76.3Confident76.1Confident108 Ų108106.9 Ų106.957%0.56556%0.564SS**Hα-helixtrans-64.8-42.7176.1-85.8155.5000111.8F531 T532 R537 F538F531-L534 HydrophobicContact CD1-CD1 4.27Å; F531-L534 CarbonylContact O-C 3.59Å; F531-L534 WeakPolarHBondContact O-CA 3.26Å; F531-L534 WeakPolarHBondContact O-CB 3.26Å; F531-L534 PolarHBondContact O-N 2.89Å; F531-L534 VanDerWaalsContact O-N 3.11Å; T532-L534 VanDerWaalsContact C-N 3.34Å; T532-L534 PolarHBondContact O-N 3.35Å; L534-R537 PolarHBondContact O-N 2.8Å; L534-F538 PolarHBondContact O-N 2.92Å
535W69Low76.5Confident159 Ų159107.2 Ų107.260%0.60257%0.566SS**Hα-helixtrans-69.5-43.8178.1-106.791.4000112.7F531 T532 R537 F538 L539F531-W535 WeakPolarHBondContact O-CB 3.46Å; F531-W535 PolarHBondContact O-N 3.43Å; T532-W535 PolarHBondContact O-N 2.83Å; W535-R537 VanDerWaalsContact C-N 3.28Å; W535-R537 PolarHBondContact O-N 2.8Å; W535-F538 PolarHBondContact O-N 3.44Å; W535-L539 HydrophobicContact CE3-CD1 4.03Å; W535-L539 HydrophobicContact CE3-CG 4.11Å; W535-L539 HydrophobicContact CZ3-CD1 4.43Å; W535-L539 HydrophobicContact CZ3-CD2 4.39Å; W535-L539 HydrophobicContact CZ3-CG 4.38Å; W535-L539 WeakPolarHBondContact O-CG 3.42Å; W535-L539 PolarHBondContact O-N 3.45Å
536L78.5Confident76.8Confident97 Ų97108.1 Ų108.151%0.50857%0.57SS.*Hα-helixtrans-59.3-42.3172.9-83.7161.2000110.8T532 L539 L540T532-L536 HydrophobicContact CG2-CD1 3.95Å; T532-L536 WeakPolarHBondContact O-CB 3.31Å; T532-L536 WeakPolarHBondContact O-CG 3.5Å; T532-L536 PolarHBondContact O-N 2.81Å; L536-L539 PolarHBondContact O-N 2.88Å; L536-L540 WeakPolarHBondContact O-CB 3.48Å; L536-L540 VanDerWaalsContact O-CG 3.23Å; L536-L540 WeakPolarHBondContact O-CG 3.15Å; L536-L540 PolarHBondContact O-N 3.09Å
537R79.4Confident76.9Confident186 Ų186108.2 Ų108.270%0.70257%0.571SS**Hα-helixtrans-63.5-43.6176.2-162.4177.5-174-168.41.4111.5P533 L534 W535 L540 T541P533-R537 VanDerWaalsContact O-CB 3.28Å; P533-R537 WeakPolarHBondContact O-CB 3.31Å; P533-R537 PolarHBondContact O-N 2.89Å; L534-R537 PolarHBondContact O-N 2.8Å; W535-R537 VanDerWaalsContact C-N 3.28Å; W535-R537 PolarHBondContact O-N 2.8Å; R537-L540 PolarHBondContact O-N 2.93Å; R537-T541 WeakPolarHBondContact O-CG2 3.44Å; R537-T541 PolarHBondContact O-N 3.2Å; R537-T541 PolarHBondContact O-OG1 3.35Å
538F81.5Confident77Confident128 Ų128111.2 Ų111.256%0.56159%0.587SS**Hα-helixtrans-59.7-47.8175.6179.1-99.4000112.2L534 W535 L540 T541 A542L534-F538 PolarHBondContact O-N 2.92Å; W535-F538 PolarHBondContact O-N 3.44Å; F538-L540 VanDerWaalsContact C-N 3.31Å; F538-L540 PolarHBondContact O-N 2.97Å; F538-T541 WeakPolarHBondContact CA-OG1 3.38Å; F538-T541 PolarHBondContact O-N 2.78Å; F538-T541 VanDerWaalsContact O-N 3.13Å; F538-T541 PolarHBondContact O-OG1 2.76Å; F538-A542 WeakPolarHBondContact O-CB 3.09Å; F538-A542 PolarHBondContact O-N 3.15Å
539L78.8Confident77.1Confident103 Ų103112.8 Ų112.854%0.53960%0.597SS.*Hα-helixtrans-66.2-28.2178.5-74.1171000114.1W535 L536 T541W535-L539 HydrophobicContact CE3-CD1 4.03Å; W535-L539 HydrophobicContact CE3-CG 4.11Å; W535-L539 HydrophobicContact CZ3-CD1 4.43Å; W535-L539 HydrophobicContact CZ3-CD2 4.39Å; W535-L539 HydrophobicContact CZ3-CG 4.38Å; W535-L539 WeakPolarHBondContact O-CG 3.42Å; W535-L539 PolarHBondContact O-N 3.45Å; L536-L539 PolarHBondContact O-N 2.88Å; L539-T541 VanDerWaalsContact C-N 3.33Å
540L82.2Confident77.2Confident148 Ų148112 Ų11278%0.77560%0.596SS**Hα-helixtrans-80.7-15.7174.9-71.3168.8000112.7L536 R537 F538L536-L540 WeakPolarHBondContact O-CB 3.48Å; L536-L540 VanDerWaalsContact O-CG 3.23Å; L536-L540 WeakPolarHBondContact O-CG 3.15Å; L536-L540 PolarHBondContact O-N 3.09Å; R537-L540 PolarHBondContact O-N 2.93Å; F538-L540 VanDerWaalsContact C-N 3.31Å; F538-L540 PolarHBondContact O-N 2.97Å
541T82.9Confident77.3Confident109 Ų109117.8 Ų117.867%0.66961%0.609SS**Hα-helixtrans-105.7-16.5-179.654.80000114.6R537 F538 L539R537-T541 WeakPolarHBondContact O-CG2 3.44Å; R537-T541 PolarHBondContact O-N 3.2Å; R537-T541 PolarHBondContact O-OG1 3.35Å; F538-T541 WeakPolarHBondContact CA-OG1 3.38Å; F538-T541 PolarHBondContact O-N 2.78Å; F538-T541 VanDerWaalsContact O-N 3.13Å; F538-T541 PolarHBondContact O-OG1 2.76Å; L539-T541 VanDerWaalsContact C-N 3.33Å
542A71.2Confident77.4Confident120 Ų120118.2 Ų118.299%0.99262%0.619SS**  trans-910172.300000109.6F538F538-A542 WeakPolarHBondContact O-CB 3.09Å; F538-A542 PolarHBondContact O-N 3.15Å

Retrieved 542 of 542 residues in 379 ms (Link to these results)